#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1twh h GLN 4 N 0.00 0.00 -7.23 1.61 4.20 -2.04 -3.44 115.11 108.21 1twh h GLN 4 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 1twh h GLN 4 Cb 0.00 0.00 0.20 0.00 0.30 0.00 0.00 27.48 27.98 1twh h GLN 4 CO 0.00 0.00 0.16 0.94 -0.67 0.00 0.00 178.83 179.26 1twh n GLN 5 N -2.36 -0.65 -4.17 1.46 7.27 -1.26 -5.06 117.38 112.61 1twh n GLN 5 Ca 0.04 -0.13 -0.28 0.00 0.07 0.00 0.00 57.00 56.69 1twh n GLN 5 Cb 0.34 -2.33 -0.08 0.00 2.41 0.00 0.00 30.24 30.58 1twh n GLN 5 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 1twh s TYR 6 N -2.61 2.90 -0.12 3.69 5.04 -1.26 -5.12 117.35 119.88 1twh s TYR 6 Ca 0.67 -0.09 -0.01 0.00 -2.44 0.00 0.00 57.07 55.20 1twh s TYR 6 Cb -0.23 -1.46 0.03 0.00 0.35 0.00 0.00 41.96 40.65 1twh s TYR 6 CO 0.59 0.49 -0.03 0.45 -1.34 0.00 0.00 175.55 175.71 1twh s SER 7 N -2.58 2.20 0.22 4.32 0.15 -1.26 -5.02 113.70 111.73 1twh s SER 7 Ca 0.26 -0.37 0.11 0.00 0.70 0.00 0.00 55.95 56.65 1twh s SER 7 Cb -0.11 -0.69 0.61 0.00 -1.71 0.00 0.00 66.02 64.12 1twh s SER 7 CO 0.18 -0.18 1.25 -1.54 1.20 0.00 0.00 173.24 174.15 1twh n SER 8 N 5.01 0.29 -4.73 5.45 3.41 -1.26 -4.53 113.62 117.27 1twh n SER 8 Ca -0.10 0.55 -0.40 0.00 -0.26 0.00 0.00 58.87 58.66 1twh n SER 8 Cb 0.49 -0.54 -0.05 0.00 -0.26 0.00 0.00 64.21 63.85 1twh n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1twh s ALA 9 N -3.20 3.34 0.66 7.33 0.00 -1.26 -4.98 121.76 123.66 1twh s ALA 9 Ca -0.01 0.21 -0.17 0.00 0.00 0.00 0.00 51.96 51.98 1twh s ALA 9 Cb 0.03 -2.98 -0.06 0.00 0.00 0.00 0.00 23.12 20.11 1twh s ALA 9 CO 0.10 -0.04 0.53 -0.35 0.00 0.00 0.00 175.76 176.00 1twh n PRO 10 N 3.42 0.40 -4.86 0.00 -0.04 -1.26 -5.00 135.00 127.66 1twh n PRO 10 Ca -0.01 0.17 -0.27 0.00 -0.04 0.00 0.00 63.50 63.35 1twh n PRO 10 Cb 0.51 -1.78 -0.16 0.00 -0.04 0.00 0.00 33.50 32.02 1twh n PRO 10 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1twh s LEU 11 N 0.17 1.87 0.17 1.53 2.96 -1.26 -5.09 118.68 119.03 1twh s LEU 11 Ca 0.67 -0.39 -0.14 0.00 -0.22 0.00 0.00 54.13 54.06 1twh s LEU 11 Cb -0.39 -1.04 0.01 0.00 0.50 0.00 0.00 46.19 45.28 1twh s LEU 11 CO 0.56 0.12 0.40 -0.13 -1.32 0.00 0.00 176.35 175.98 1twh s ARG 12 N 0.30 1.22 0.41 1.98 0.52 -1.26 -5.17 118.95 116.95 1twh s ARG 12 Ca -0.11 -0.96 0.08 0.00 -0.52 0.00 0.00 55.73 54.22 1twh s ARG 12 Cb -0.14 0.45 -0.01 0.00 0.52 0.00 0.00 34.95 35.77 1twh s ARG 12 CO 0.04 -0.48 0.47 0.95 0.02 0.00 0.00 175.30 176.30 1twh s THR 13 N -3.90 2.95 -0.21 0.02 -4.23 -1.26 -5.06 115.64 103.95 1twh s THR 13 Ca 0.11 -1.16 -0.11 0.00 -1.18 0.00 0.00 61.69 59.35 1twh s THR 13 Cb 0.01 -3.03 -0.05 0.00 1.34 0.00 0.00 72.50 70.77 1twh s THR 13 CO -0.04 -0.02 0.19 -0.69 -0.54 0.00 0.00 174.62 173.53 1twh s VAL 14 N -2.39 5.35 -0.24 2.29 1.01 -1.26 -4.93 120.40 120.23 1twh s VAL 14 Ca 0.51 0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.81 1twh s VAL 14 Cb -0.07 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1twh s VAL 14 CO 0.30 0.37 0.22 0.29 0.00 0.00 0.00 175.10 176.29 1twh n LYS 15 N 3.99 5.10 -3.63 2.72 4.76 -1.26 -4.99 118.16 124.84 1twh n LYS 15 Ca -0.14 -0.06 -0.12 0.00 -2.87 0.00 0.00 58.31 55.11 1twh n LYS 15 Cb 0.52 -0.74 -0.07 0.00 -1.84 0.00 0.00 35.03 32.90 1twh n LYS 15 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1twh s GLU 16 N -1.34 0.73 -0.13 1.97 2.02 -1.26 -4.41 118.70 116.28 1twh s GLU 16 Ca 0.02 0.88 0.02 0.00 0.02 0.00 0.00 54.97 55.92 1twh s GLU 16 Cb 0.03 0.35 0.00 0.00 0.10 0.00 0.00 34.13 34.62 1twh s GLU 16 CO 0.17 -0.09 -0.20 0.08 0.02 0.00 0.00 175.26 175.24 1twh s VAL 17 N 0.38 2.30 -0.18 2.63 1.01 -0.12 -4.99 120.40 121.42 1twh s VAL 17 Ca 0.01 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1twh s VAL 17 Cb -0.05 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.42 1twh s VAL 17 CO -0.02 0.54 -0.19 -1.58 0.00 0.00 0.00 175.10 173.86 1twh s GLN 18 N 0.60 3.03 0.06 2.72 2.00 -1.26 -1.28 119.66 125.53 1twh s GLN 18 Ca -0.11 -0.81 -0.13 0.00 -2.00 0.00 0.00 55.36 52.31 1twh s GLN 18 Cb -0.16 -2.60 -0.06 0.00 0.80 0.00 0.00 33.01 30.99 1twh s GLN 18 CO 0.03 -0.19 0.44 -0.06 -0.50 0.00 0.00 175.29 175.01 1twh s PHE 19 N 1.26 3.65 0.00 1.67 0.40 0.13 -5.02 117.98 120.07 1twh s PHE 19 Ca 0.04 0.93 0.00 0.00 -0.60 0.00 0.00 56.93 57.30 1twh s PHE 19 Cb -0.13 -2.26 0.00 0.00 0.51 0.00 0.00 43.02 41.14 1twh s PHE 19 CO -0.11 0.55 0.00 0.41 0.70 0.00 0.00 175.22 176.77 1twh n GLY 20 N 1.25 2.00 3.68 4.36 0.00 -1.25 -3.88 105.19 111.35 1twh n GLY 20 Ca -0.10 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 1twh n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1twh s LEU 21 N 0.00 3.47 -0.51 0.99 1.43 0.86 -4.55 118.68 120.38 1twh s LEU 21 Ca 0.00 -0.06 -0.28 0.00 -1.03 0.00 0.00 54.13 52.75 1twh s LEU 21 Cb 0.00 -2.05 0.03 0.00 0.03 0.00 0.00 46.19 44.20 1twh s LEU 21 CO 0.00 0.25 1.14 -0.36 0.23 0.00 0.00 176.35 177.61 1twh s PHE 22 N -1.14 2.77 0.85 0.29 2.99 -1.26 -4.73 117.98 117.74 1twh s PHE 22 Ca 0.21 0.60 -0.11 0.00 0.00 0.00 0.00 56.93 57.63 1twh s PHE 22 Cb -0.12 -4.43 0.11 0.00 0.00 0.00 0.00 43.02 38.58 1twh s PHE 22 CO 0.12 -1.35 1.10 -1.54 -0.00 0.00 0.00 175.22 173.56 1twh s SER 23 N 2.59 3.71 0.26 1.36 1.04 -1.26 -4.87 113.70 116.52 1twh s SER 23 Ca 0.46 1.85 0.10 0.00 0.48 0.00 0.00 55.95 58.84 1twh s SER 23 Cb -0.07 -2.46 0.33 0.00 0.10 0.00 0.00 66.02 63.91 1twh s SER 23 CO 0.30 -2.55 1.60 1.55 0.98 0.00 0.00 173.24 175.12 1twh h PRO 24 N -1.48 0.03 -0.35 4.02 0.13 -1.93 0.16 132.00 132.58 1twh h PRO 24 Ca -0.45 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 64.74 1twh h PRO 24 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1twh h PRO 24 CO 0.49 0.65 0.24 0.93 -0.23 0.00 0.00 178.00 180.08 1twh h GLU 25 N 0.02 0.07 0.00 0.86 3.07 -1.99 -0.92 114.58 115.69 1twh h GLU 25 Ca -0.01 -0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.50 1twh h GLU 25 Cb 1.11 -0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 28.94 1twh h GLU 25 CO 0.08 0.04 -2.36 -1.91 -1.40 0.00 0.00 179.01 173.47 1twh n GLU 26 N -4.45 0.69 -0.12 2.33 2.13 -0.53 -0.54 120.64 120.15 1twh n GLU 26 Ca 0.05 -0.02 -0.06 0.00 0.66 0.00 0.00 57.16 57.79 1twh n GLU 26 Cb 0.37 -1.52 0.02 0.00 0.27 0.00 0.00 31.44 30.59 1twh n GLU 26 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1twh h VAL 27 N 0.00 0.87 -0.38 6.31 2.07 -0.55 -2.55 116.25 122.02 1twh h VAL 27 Ca -0.51 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 1twh h VAL 27 Cb 2.16 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1twh h VAL 27 CO 0.03 0.05 -0.03 0.03 0.02 0.00 0.00 177.57 177.66 1twh h ARG 28 N 0.28 0.70 -1.20 1.57 3.08 -1.14 -2.84 114.38 114.82 1twh h ARG 28 Ca 0.18 -0.24 0.35 0.00 0.07 0.00 0.00 59.98 60.34 1twh h ARG 28 Cb 0.17 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 1twh h ARG 28 CO -0.19 0.82 1.25 0.00 -1.07 0.00 0.00 179.97 180.77 1twh n ALA 29 N -2.41 1.15 -0.88 0.04 0.00 0.30 -0.59 120.51 118.12 1twh n ALA 29 Ca -0.01 0.40 0.04 0.00 0.00 0.00 0.00 53.44 53.86 1twh n ALA 29 Cb 0.31 -0.69 0.05 0.00 0.00 0.00 0.00 19.45 19.12 1twh n ALA 29 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1twh n ILE 30 N -3.34 1.05 -2.48 0.00 -5.35 -1.00 -4.99 119.36 103.26 1twh n ILE 30 Ca 0.27 -1.20 -0.32 0.00 -0.27 0.00 0.00 62.75 61.22 1twh n ILE 30 Cb 1.61 0.28 -0.04 0.00 -1.74 0.00 0.00 39.64 39.74 1twh n ILE 30 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1twh s SER 31 N -1.61 6.68 0.00 7.28 0.15 0.24 -4.72 113.70 121.72 1twh s SER 31 Ca 0.13 1.58 0.00 0.00 0.70 0.00 0.00 55.95 58.36 1twh s SER 31 Cb 0.11 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1twh s SER 31 CO 0.01 -0.54 0.00 1.33 1.20 0.00 0.00 173.24 175.24 1twh n VAL 32 N -1.41 0.00 -2.56 4.45 0.24 -1.14 -5.04 118.33 112.86 1twh n VAL 32 Ca 0.07 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.96 1twh n VAL 32 Cb 0.54 -0.03 -0.04 0.00 -1.47 0.00 0.00 33.84 32.84 1twh n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1twh s ALA 33 N -4.03 3.35 -0.85 2.33 0.00 -1.26 -4.99 121.76 116.31 1twh s ALA 33 Ca 0.00 0.77 0.05 0.00 0.00 0.00 0.00 51.96 52.78 1twh s ALA 33 Cb 0.00 -3.33 0.26 0.00 0.00 0.00 0.00 23.12 20.05 1twh s ALA 33 CO 0.00 -0.15 0.92 1.17 0.00 0.00 0.00 175.76 177.69 1twh n LYS 34 N 2.34 2.20 0.00 0.00 4.81 -1.26 -2.42 118.16 123.82 1twh n LYS 34 Ca 0.02 -1.00 0.00 0.00 -0.87 0.00 0.00 58.31 56.47 1twh n LYS 34 Cb 0.47 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.81 1twh n LYS 34 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1twh n ILE 35 N 0.20 0.00 0.00 3.15 -0.00 -0.51 -4.50 119.36 117.70 1twh n ILE 35 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.84 1twh n ILE 35 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.17 1twh n ILE 35 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 1twh n ARG 36 N 0.75 0.00 -1.79 0.38 1.85 -1.23 -4.55 116.66 112.07 1twh n ARG 36 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.52 1twh n ARG 36 Cb 0.00 -0.17 0.05 0.00 -1.05 0.00 0.00 32.46 31.29 1twh n ARG 36 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1twh s PHE 37 N -1.54 2.58 -0.68 2.89 0.40 -1.26 -5.00 117.98 115.37 1twh s PHE 37 Ca 0.00 1.55 0.03 0.00 -0.60 0.00 0.00 56.93 57.91 1twh s PHE 37 Cb 0.00 -3.20 0.35 0.00 0.51 0.00 0.00 43.02 40.68 1twh s PHE 37 CO 0.00 -1.74 1.28 -0.35 0.70 0.00 0.00 175.22 175.10 1twh n PRO 38 N -2.32 3.75 -4.36 0.24 -0.04 -1.26 -4.06 135.00 126.96 1twh n PRO 38 Ca 0.11 -4.64 -0.28 0.00 -0.04 0.00 0.00 63.50 58.64 1twh n PRO 38 Cb 0.52 -2.30 -0.12 0.00 -0.04 0.00 0.00 33.50 31.56 1twh n PRO 38 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1twh s GLU 39 N -3.74 1.62 -0.31 0.54 8.01 -1.26 -4.88 118.70 118.67 1twh s GLU 39 Ca 0.47 -1.33 -0.09 0.00 0.01 0.00 0.00 54.97 54.02 1twh s GLU 39 Cb 0.30 -1.98 -0.00 0.00 -4.31 0.00 0.00 34.13 28.13 1twh s GLU 39 CO -0.17 0.44 0.15 0.99 0.01 0.00 0.00 175.26 176.68 1twh s THR 40 N -1.31 4.54 0.08 3.63 2.01 -1.26 -4.45 115.64 118.88 1twh s THR 40 Ca 0.18 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.71 1twh s THR 40 Cb -0.10 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.09 1twh s THR 40 CO 0.09 0.05 0.00 0.23 -0.69 0.00 0.00 174.62 174.31 1twh n MET 41 N 4.97 -0.59 -2.46 4.92 2.81 -1.26 -4.98 117.12 120.53 1twh n MET 41 Ca -0.14 0.41 -0.03 0.00 -1.81 0.00 0.00 57.70 56.14 1twh n MET 41 Cb 0.49 -0.72 0.00 0.00 -0.71 0.00 0.00 33.22 32.28 1twh n MET 41 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1twh n ASP 42 N -2.13 -6.49 -4.58 7.83 10.43 -1.13 -4.70 116.55 115.78 1twh n ASP 42 Ca -0.00 0.74 -0.40 0.00 2.57 0.00 0.00 54.79 57.70 1twh n ASP 42 Cb 0.13 -4.28 -0.03 0.00 1.84 0.00 0.00 41.12 38.79 1twh n ASP 42 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1twh s GLU 43 N -1.71 2.69 0.00 -1.24 8.01 -1.25 -2.49 118.70 122.70 1twh s GLU 43 Ca 0.09 1.62 0.00 0.00 0.01 0.00 0.00 54.97 56.70 1twh s GLU 43 Cb -0.03 -4.45 0.00 0.00 -4.31 0.00 0.00 34.13 25.35 1twh s GLU 43 CO 0.58 -2.61 0.00 2.41 0.01 0.00 0.00 175.26 175.65 1twh n THR 44 N 7.79 0.00 0.00 3.63 -1.04 -1.26 -3.21 114.28 120.19 1twh n THR 44 Ca 0.31 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.32 1twh n THR 44 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 1twh n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1twh n GLN 45 N 0.00 0.00 -3.46 -2.82 6.02 -1.04 -5.14 117.38 110.94 1twh n GLN 45 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1twh n GLN 45 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 1twh n GLN 45 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1twh s THR 46 N 0.00 5.22 0.00 5.09 2.01 -1.20 -4.98 115.64 121.78 1twh s THR 46 Ca 0.00 -3.31 0.00 0.00 0.31 0.00 0.00 61.69 58.69 1twh s THR 46 Cb 0.00 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.31 1twh s THR 46 CO 0.00 -1.09 0.66 0.54 -0.69 0.00 0.00 174.62 174.04 1twh n ARG 47 N 2.94 0.00 0.01 4.92 1.74 -1.26 -2.83 116.66 122.17 1twh n ARG 47 Ca 0.19 -0.30 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 1twh n ARG 47 Cb 0.40 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 1twh n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1twh n ALA 48 N 4.02 3.00 -3.61 7.54 0.00 -1.26 -4.86 120.51 125.34 1twh n ALA 48 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1twh n ALA 48 Cb 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.38 1twh n ALA 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1twh s LYS 49 N -1.06 0.70 -0.12 0.00 2.47 -1.26 -4.87 119.74 115.60 1twh s LYS 49 Ca 0.00 1.03 -0.00 0.00 -1.56 0.00 0.00 55.97 55.44 1twh s LYS 49 Cb 0.00 0.23 -0.02 0.00 -1.46 0.00 0.00 37.83 36.58 1twh s LYS 49 CO 0.00 -0.12 -0.12 0.42 0.16 0.00 0.00 175.35 175.68 1twh s ILE 50 N 1.02 3.15 -0.04 5.43 1.01 -1.26 -4.60 121.20 125.91 1twh s ILE 50 Ca -0.05 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 59.96 1twh s ILE 50 Cb -0.05 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.10 1twh s ILE 50 CO -0.10 0.53 0.85 0.61 0.00 0.00 0.00 174.94 176.84 1twh n GLY 51 N 3.37 1.72 1.33 6.18 0.00 -1.26 -3.86 105.19 112.68 1twh n GLY 51 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1twh n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1twh n GLY 52 N 0.54 -0.10 0.76 -0.02 0.00 -1.26 -4.79 105.19 100.31 1twh n GLY 52 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1twh n GLY 52 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1twh n LEU 53 N -3.38 0.00 0.00 0.99 0.00 -1.26 -3.55 117.00 109.81 1twh n LEU 53 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 56.01 55.40 1twh n LEU 53 Cb 0.06 0.03 0.00 0.00 0.00 0.00 0.00 43.42 43.51 1twh n LEU 53 CO 0.00 -0.22 0.00 0.59 0.00 0.00 0.00 177.39 177.76 1twh n ASN 54 N -1.58 0.00 -0.16 1.96 4.13 -1.26 -4.01 115.26 114.33 1twh n ASN 54 Ca -0.02 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.26 1twh n ASN 54 Cb 0.13 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.38 1twh n ASN 54 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1twh n ASP 55 N 1.14 1.20 -0.77 6.41 -0.08 -1.25 -4.63 116.55 118.57 1twh n ASP 55 Ca 0.00 -1.10 0.00 0.00 -1.51 0.00 0.00 54.79 52.18 1twh n ASP 55 Cb 0.00 0.17 0.00 0.00 2.34 0.00 0.00 41.12 43.63 1twh n ASP 55 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1twh n PRO 56 N 0.04 0.00 0.00 -0.67 -0.04 -1.26 -3.37 135.00 129.70 1twh n PRO 56 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1twh n PRO 56 Cb 0.11 -0.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1twh n PRO 56 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1twh n ARG 57 N 0.46 0.00 -0.07 0.54 3.00 -1.26 -4.36 116.66 114.96 1twh n ARG 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1twh n ARG 57 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1twh n ARG 57 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1twh n LEU 58 N 0.00 0.00 0.00 0.55 -0.00 -1.22 -4.47 117.00 111.87 1twh n LEU 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1twh n LEU 58 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1twh n LEU 58 CO 0.00 -0.16 0.00 0.61 -0.00 0.00 0.00 177.39 177.84 1twh n GLY 59 N 5.00 0.00 0.00 1.47 0.00 -1.26 -4.83 105.19 105.57 1twh n GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1twh n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1twh n SER 60 N 0.00 0.00 -4.96 1.61 3.41 -1.26 -4.65 113.62 107.77 1twh n SER 60 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 1twh n SER 60 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 1twh n SER 60 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1twh s ILE 61 N 0.00 2.58 0.00 -1.33 1.01 -1.26 -4.76 121.20 117.44 1twh s ILE 61 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1twh s ILE 61 Cb 0.00 -3.01 0.00 0.00 0.01 0.00 0.00 42.46 39.46 1twh s ILE 61 CO 0.00 -0.01 0.00 -0.67 0.00 0.00 0.00 174.94 174.26 1twh n ASP 62 N -2.50 0.00 0.00 3.58 -0.08 -1.26 -4.87 116.55 111.42 1twh n ASP 62 Ca 0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 1twh n ASP 62 Cb 0.60 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.06 1twh n ASP 62 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1twh n ARG 63 N 0.00 0.00 -1.53 -0.67 0.63 -1.26 -4.91 116.66 108.92 1twh n ARG 63 Ca 0.00 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.61 1twh n ARG 63 Cb 0.00 -2.19 -0.10 0.00 0.45 0.00 0.00 32.46 30.62 1twh n ARG 63 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1twh n ASN 64 N 0.01 1.13 -3.36 6.15 6.94 -1.26 -4.63 115.26 120.23 1twh n ASN 64 Ca 0.00 -0.45 -0.09 0.00 -0.02 0.00 0.00 54.58 54.02 1twh n ASN 64 Cb 0.00 -1.26 -0.02 0.00 -2.36 0.00 0.00 39.78 36.14 1twh n ASN 64 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1twh n LEU 65 N 13.40 0.08 -3.46 -4.53 4.77 -1.26 -4.66 117.00 121.33 1twh n LEU 65 Ca 0.52 -0.91 -0.10 0.00 -0.03 0.00 0.00 56.01 55.48 1twh n LEU 65 Cb 0.32 -0.31 -0.09 0.00 -2.33 0.00 0.00 43.42 41.01 1twh n LEU 65 CO 0.81 -1.18 -0.06 -0.75 -1.33 0.00 0.00 177.39 174.87 1twh s LYS 66 N 4.12 0.30 0.00 3.23 2.20 -1.14 -4.38 119.74 124.08 1twh s LYS 66 Ca 0.14 0.63 0.00 0.00 -0.36 0.00 0.00 55.97 56.38 1twh s LYS 66 Cb 0.03 -0.33 0.00 0.00 -1.51 0.00 0.00 37.83 36.02 1twh s LYS 66 CO 0.07 -0.52 0.00 0.00 -0.36 0.00 0.00 175.35 174.54 1twh s GLN 68 N 0.27 0.63 0.00 0.00 1.03 -1.26 -4.79 119.66 115.53 1twh s GLN 68 Ca 0.00 -1.39 0.00 0.00 0.04 0.00 0.00 55.36 54.01 1twh s GLN 68 Cb 0.00 -1.42 0.00 0.00 0.03 0.00 0.00 33.01 31.62 1twh s GLN 68 CO 0.00 -1.20 0.00 2.41 -2.54 0.00 0.00 175.29 173.96 1twh n THR 69 N 4.00 0.00 0.05 3.63 -1.04 -1.26 -4.81 114.28 114.86 1twh n THR 69 Ca 0.11 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.01 1twh n THR 69 Cb 0.37 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.88 1twh n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1twh n GLN 71 N -3.80 0.00 0.00 0.00 6.02 -1.26 -4.88 117.38 113.46 1twh n GLN 71 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1twh n GLN 71 Cb 0.75 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.01 1twh n GLN 71 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1twh n GLU 72 N 0.00 0.00 -1.61 -1.09 4.71 -1.26 -2.86 120.64 118.53 1twh n GLU 72 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.76 1twh n GLU 72 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 31.44 30.47 1twh n GLU 72 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1twh n GLY 73 N 0.00 -0.34 1.81 0.62 0.00 -1.26 -4.41 105.19 101.61 1twh n GLY 73 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1twh n GLY 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1twh n MET 74 N -0.50 0.00 0.00 1.61 0.00 -1.26 0.16 117.12 117.12 1twh n MET 74 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.82 1twh n MET 74 Cb 0.44 -1.30 0.00 0.00 0.00 0.00 0.00 33.22 32.37 1twh n MET 74 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1twh n ASN 75 N 1.61 0.00 -0.34 7.83 5.15 -1.26 -4.95 115.26 123.30 1twh n ASN 75 Ca 0.00 0.00 0.03 0.00 -0.60 0.00 0.00 54.58 54.01 1twh n ASN 75 Cb 0.00 0.00 0.08 0.00 -0.53 0.00 0.00 39.78 39.33 1twh n ASN 75 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1twh n GLU 76 N -0.23 2.51 -3.34 1.20 4.71 0.42 -4.98 120.64 120.94 1twh n GLU 76 Ca 0.00 -1.67 -0.40 0.00 -0.01 0.00 0.00 57.16 55.08 1twh n GLU 76 Cb 0.00 -1.14 -0.09 0.00 -1.01 0.00 0.00 31.44 29.20 1twh n GLU 76 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1twh n PRO 78 N 5.44 0.00 0.00 0.00 -0.02 -1.26 -4.97 135.00 134.19 1twh n PRO 78 Ca -0.07 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1twh n PRO 78 Cb 0.50 -0.87 0.00 0.00 -0.02 0.00 0.00 33.50 33.11 1twh n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1twh n GLY 79 N -0.93 4.10 3.51 -1.23 0.00 -1.26 -4.83 105.19 104.55 1twh n GLY 79 Ca 0.00 -1.05 -0.25 0.00 0.00 0.00 0.00 46.02 44.72 1twh n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1twh s HIS 80 N -2.00 2.35 -0.19 1.61 0.09 -1.26 -4.91 115.29 110.97 1twh s HIS 80 Ca 0.00 -0.44 -0.10 0.00 -0.00 0.00 0.00 55.06 54.52 1twh s HIS 80 Cb 0.00 -1.23 -0.05 0.00 -0.00 0.00 0.00 32.58 31.30 1twh s HIS 80 CO 0.00 0.63 0.14 -0.06 -0.00 0.00 0.00 174.74 175.45 1twh s PHE 81 N -2.58 3.42 0.53 1.40 0.40 -1.26 -2.94 117.98 116.95 1twh s PHE 81 Ca 0.31 0.36 0.04 0.00 -0.60 0.00 0.00 56.93 57.04 1twh s PHE 81 Cb -0.00 -2.16 0.10 0.00 0.51 0.00 0.00 43.02 41.47 1twh s PHE 81 CO 0.16 0.31 0.73 0.41 0.70 0.00 0.00 175.22 177.53 1twh n GLY 82 N 3.43 1.28 3.59 4.36 0.00 -0.55 -2.91 105.19 114.39 1twh n GLY 82 Ca -0.16 -2.11 -0.09 0.00 0.00 0.00 0.00 46.02 43.66 1twh n GLY 82 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1twh s HIS 83 N -2.18 0.24 -0.24 1.61 -3.43 -1.02 -0.98 115.29 109.29 1twh s HIS 83 Ca 0.51 -0.61 -0.02 0.00 -0.80 0.00 0.00 55.06 54.14 1twh s HIS 83 Cb -0.03 0.26 0.12 0.00 -1.43 0.00 0.00 32.58 31.50 1twh s HIS 83 CO 0.33 -0.99 0.32 0.96 -2.00 0.00 0.00 174.74 173.36 1twh s ILE 84 N -3.98 -0.49 0.39 -5.38 -5.25 -0.86 -1.43 121.20 104.19 1twh s ILE 84 Ca 0.19 -0.17 -0.20 0.00 -0.99 0.00 0.00 60.65 59.48 1twh s ILE 84 Cb -0.01 -0.81 -0.10 0.00 2.95 0.00 0.00 42.46 44.48 1twh s ILE 84 CO 0.07 -0.21 0.89 -1.81 -1.79 0.00 0.00 174.94 172.09 1twh s ASP 85 N 2.45 6.95 -0.10 4.36 1.01 -1.26 -0.90 116.67 129.18 1twh s ASP 85 Ca 0.10 1.60 -0.01 0.00 0.71 0.00 0.00 52.55 54.95 1twh s ASP 85 Cb -0.15 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 1twh s ASP 85 CO -0.18 -0.28 -0.03 -0.76 0.21 0.00 0.00 175.17 174.13 1twh s LEU 86 N -2.97 3.39 0.11 1.23 1.43 -0.71 -4.96 118.68 116.19 1twh s LEU 86 Ca 0.58 0.03 -0.19 0.00 -1.03 0.00 0.00 54.13 53.52 1twh s LEU 86 Cb -0.11 -1.77 -0.07 0.00 0.03 0.00 0.00 46.19 44.27 1twh s LEU 86 CO 0.15 0.33 1.70 0.00 0.23 0.00 0.00 176.35 178.76 1twh h ALA 87 N 5.54 0.29 -2.21 4.21 0.00 -1.87 -3.42 119.26 121.80 1twh h ALA 87 Ca -0.46 -0.07 -0.37 0.00 0.00 0.00 0.00 54.91 54.01 1twh h ALA 87 Cb 1.18 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.74 1twh h ALA 87 CO 0.56 -0.17 -0.69 0.15 0.00 0.00 0.00 179.25 179.09 1twh s LYS 88 N -5.83 1.23 0.44 0.00 -0.14 -1.26 -5.08 119.74 109.09 1twh s LYS 88 Ca -0.13 -1.57 -0.24 0.00 -1.36 0.00 0.00 55.97 52.66 1twh s LYS 88 Cb 0.08 -0.72 -0.08 0.00 -1.68 0.00 0.00 37.83 35.44 1twh s LYS 88 CO 0.70 0.02 1.23 -1.25 -0.76 0.00 0.00 175.35 175.30 1twh s PRO 89 N -3.77 3.83 0.12 -1.68 0.04 -1.26 -4.84 135.00 127.43 1twh s PRO 89 Ca 0.22 1.96 0.03 0.00 0.04 0.00 0.00 61.00 63.25 1twh s PRO 89 Cb 0.03 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 1twh s PRO 89 CO 0.05 -0.55 -0.09 0.54 0.04 0.00 0.00 177.00 176.99 1twh s VAL 90 N -1.40 0.95 0.61 -0.36 0.11 -0.30 -4.80 120.40 115.21 1twh s VAL 90 Ca 0.61 -1.89 -0.16 0.00 -2.93 0.00 0.00 61.98 57.61 1twh s VAL 90 Cb -0.33 -1.64 -0.03 0.00 -1.53 0.00 0.00 36.38 32.85 1twh s VAL 90 CO 0.41 -0.73 1.08 -0.36 -3.33 0.00 0.00 175.10 172.18 1twh s PHE 91 N -3.13 2.83 -0.34 1.54 0.08 -1.26 -2.43 117.98 115.27 1twh s PHE 91 Ca 0.12 1.53 -0.29 0.00 0.12 0.00 0.00 56.93 58.41 1twh s PHE 91 Cb 0.02 -3.09 0.01 0.00 -0.57 0.00 0.00 43.02 39.39 1twh s PHE 91 CO -0.01 -1.35 1.22 -1.58 -0.10 0.00 0.00 175.22 173.40 1twh s HIS 92 N -2.34 2.81 0.39 0.36 5.65 -1.00 -4.79 115.29 116.37 1twh s HIS 92 Ca 0.66 0.92 0.13 0.00 0.25 0.00 0.00 55.06 57.02 1twh s HIS 92 Cb -0.18 -3.96 0.95 0.00 -1.18 0.00 0.00 32.58 28.21 1twh s HIS 92 CO 0.37 -1.40 1.88 0.28 -0.65 0.00 0.00 174.74 175.22 1twh h VAL 93 N 5.98 0.77 0.00 0.89 2.07 -1.89 0.44 116.25 124.52 1twh h VAL 93 Ca -0.24 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1twh h VAL 93 Cb 1.08 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1twh h VAL 93 CO 1.05 0.10 0.26 1.23 0.02 0.00 0.00 177.57 180.23 1twh h GLY 94 N 0.54 0.00 -0.11 2.17 0.00 -1.95 -3.08 103.07 100.64 1twh h GLY 94 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1twh h GLY 94 CO -0.18 0.00 -0.06 0.69 0.00 0.00 0.00 176.54 176.99 1twh n PHE 95 N -2.61 0.00 -0.02 5.60 3.01 0.15 -4.68 117.46 118.90 1twh n PHE 95 Ca -0.02 -0.83 0.01 0.00 1.01 0.00 0.00 57.45 57.62 1twh n PHE 95 Cb 0.30 -0.13 0.31 0.00 -0.01 0.00 0.00 39.48 39.95 1twh n PHE 95 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1twh h ILE 96 N 0.83 1.18 -0.00 4.37 5.03 -1.63 0.54 117.51 127.82 1twh h ILE 96 Ca 0.00 -0.63 -0.17 0.00 -0.12 0.00 0.00 64.86 63.95 1twh h ILE 96 Cb 1.00 0.77 -0.02 0.00 -3.03 0.00 0.00 36.82 35.55 1twh h ILE 96 CO 0.00 0.23 -0.78 0.00 -0.68 0.00 0.00 178.15 176.92 1twh h ALA 97 N 1.55 0.70 -0.22 1.87 0.00 -1.84 -0.48 119.26 120.84 1twh h ALA 97 Ca 0.13 -0.69 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 1twh h ALA 97 Cb 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1twh h ALA 97 CO -0.00 0.92 -0.02 0.87 0.00 0.00 0.00 179.25 181.02 1twh h LYS 98 N 0.04 0.40 -0.89 0.00 1.79 -1.57 -2.43 116.57 113.91 1twh h LYS 98 Ca -0.02 -0.14 0.18 0.00 -2.18 0.00 0.00 60.65 58.50 1twh h LYS 98 Cb 1.36 -0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.91 1twh h LYS 98 CO 0.11 0.61 0.58 0.82 -1.08 0.00 0.00 179.45 180.49 1twh h ILE 99 N 0.15 0.73 -0.25 1.86 2.04 0.30 0.67 117.51 123.02 1twh h ILE 99 Ca 0.06 -0.17 -0.10 0.00 1.00 0.00 0.00 64.86 65.64 1twh h ILE 99 Cb 0.44 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1twh h ILE 99 CO 0.01 0.09 -0.25 0.50 0.00 0.00 0.00 178.15 178.51 1twh h LYS 100 N 0.51 0.60 0.00 2.37 3.64 -1.00 0.34 116.57 123.03 1twh h LYS 100 Ca 0.46 -0.32 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1twh h LYS 100 Cb 1.00 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1twh h LYS 100 CO -0.19 0.92 -0.08 0.87 -2.27 0.00 0.00 179.45 178.69 1twh h LYS 101 N 0.31 0.00 -0.05 1.90 1.57 0.21 -1.27 116.57 119.24 1twh h LYS 101 Ca 0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1twh h LYS 101 Cb 0.81 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 1twh h LYS 101 CO 0.06 0.08 -0.05 0.28 -0.57 0.00 0.00 179.45 179.26 1twh h VAL 102 N 0.00 1.38 -0.91 0.50 2.07 0.70 -2.18 116.25 117.81 1twh h VAL 102 Ca -0.00 -1.20 0.24 0.00 0.82 0.00 0.00 66.70 66.55 1twh h VAL 102 Cb 0.99 2.08 -0.16 0.00 -1.52 0.00 0.00 31.29 32.67 1twh h VAL 102 CO 0.01 0.33 0.05 0.00 0.02 0.00 0.00 177.57 177.98 1twh n GLU 104 N -5.41 0.30 -0.00 0.00 1.02 -0.53 -3.46 120.64 112.55 1twh n GLU 104 Ca 0.20 0.09 0.04 0.00 -0.02 0.00 0.00 57.16 57.47 1twh n GLU 104 Cb 0.66 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.53 1twh n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1twh s VAL 106 N -2.20 3.28 -0.01 0.00 0.11 -1.14 -1.82 120.40 118.63 1twh s VAL 106 Ca -0.00 -1.64 -0.11 0.00 -2.93 0.00 0.00 61.98 57.30 1twh s VAL 106 Cb 0.06 -3.03 -0.05 0.00 -1.53 0.00 0.00 36.38 31.82 1twh s VAL 106 CO 0.33 -0.22 0.32 0.00 -3.33 0.00 0.00 175.10 172.21 1twh n MET 108 N 1.54 1.04 -0.01 0.00 2.00 -1.26 -2.10 117.12 118.34 1twh n MET 108 Ca -0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 57.70 57.43 1twh n MET 108 Cb 0.53 -1.50 -0.00 0.00 0.00 0.00 0.00 33.22 32.25 1twh n MET 108 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 175.97 177.55 1twh n HIS 109 N -0.86 0.14 -0.05 2.03 -0.00 -1.26 -4.82 115.22 110.41 1twh n HIS 109 Ca 0.23 0.06 -0.15 0.00 0.46 0.00 0.00 57.72 58.32 1twh n HIS 109 Cb 0.15 -0.33 -0.07 0.00 -0.12 0.00 0.00 29.99 29.62 1twh n HIS 109 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1twh n GLY 111 N 0.53 1.07 3.65 0.00 0.00 -0.89 -4.81 105.19 104.74 1twh n GLY 111 Ca -0.07 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 1twh n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1twh s LYS 112 N -1.97 2.86 0.61 1.61 2.20 -1.26 -4.05 119.74 119.74 1twh s LYS 112 Ca 0.00 -0.50 -0.19 0.00 -0.36 0.00 0.00 55.97 54.92 1twh s LYS 112 Cb 0.00 -2.70 -0.03 0.00 -1.51 0.00 0.00 37.83 33.59 1twh s LYS 112 CO 0.00 0.67 1.22 1.28 -0.36 0.00 0.00 175.35 178.17 1twh n LEU 113 N 2.03 5.31 0.07 5.43 4.77 -1.26 -1.31 117.00 132.04 1twh n LEU 113 Ca -0.18 0.86 0.03 0.00 -0.03 0.00 0.00 56.01 56.70 1twh n LEU 113 Cb 0.53 -1.52 -0.04 0.00 -2.33 0.00 0.00 43.42 40.07 1twh n LEU 113 CO 0.29 -1.12 -0.06 -0.07 -1.33 0.00 0.00 177.39 175.10 1twh h LEU 114 N 0.73 0.00 -9.75 2.23 -0.00 -1.67 -3.45 115.31 103.40 1twh h LEU 114 Ca -0.50 0.00 -0.63 0.00 -0.00 0.00 0.00 57.88 56.75 1twh h LEU 114 Cb 1.34 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.87 1twh h LEU 114 CO 0.53 0.42 -0.57 -0.76 -0.00 0.00 0.00 178.44 178.06 1twh s LEU 115 N -5.83 2.81 0.00 1.67 1.43 -1.26 -4.73 118.68 112.77 1twh s LEU 115 Ca -0.01 -1.39 0.00 0.00 -1.03 0.00 0.00 54.13 51.71 1twh s LEU 115 Cb 0.09 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.38 1twh s LEU 115 CO 0.79 -0.53 0.00 -0.90 0.23 0.00 0.00 176.35 175.94 1twh n ASP 116 N -1.05 0.00 -0.33 2.29 3.85 -1.26 -5.04 116.55 115.01 1twh n ASP 116 Ca -0.07 -0.27 0.08 0.00 -0.71 0.00 0.00 54.79 53.83 1twh n ASP 116 Cb 0.67 0.00 0.28 0.00 -1.35 0.00 0.00 41.12 40.72 1twh n ASP 116 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1twh h GLU 117 N 0.00 0.88 0.00 0.11 3.07 -2.00 -2.71 114.58 113.93 1twh h GLU 117 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1twh h GLU 117 Cb 0.00 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 27.71 1twh h GLU 117 CO 0.00 0.58 0.06 0.45 -1.40 0.00 0.00 179.01 178.70 1twh h HIS 118 N 0.90 0.00 0.00 4.33 3.86 -1.96 -3.33 115.15 118.95 1twh h HIS 118 Ca 0.47 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 59.42 1twh h HIS 118 Cb 0.53 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.95 1twh h HIS 118 CO -0.00 0.00 -2.06 -1.71 0.86 0.00 0.00 177.93 175.02 1twh n ASN 119 N -2.74 1.09 0.00 2.45 2.85 -1.02 -4.12 115.26 113.77 1twh n ASN 119 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 1twh n ASN 119 Cb 0.11 0.98 0.00 0.00 1.24 0.00 0.00 39.78 42.11 1twh n ASN 119 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1twh n GLU 120 N -2.54 0.00 -0.37 1.20 -0.58 -1.25 -4.44 120.64 112.66 1twh n GLU 120 Ca -0.24 0.00 0.29 0.00 -0.42 0.00 0.00 57.16 56.79 1twh n GLU 120 Cb 0.96 0.00 0.55 0.00 -0.57 0.00 0.00 31.44 32.38 1twh n GLU 120 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1twh h LEU 121 N 0.00 0.39 -0.94 -4.62 3.38 -1.96 0.61 115.31 112.16 1twh h LEU 121 Ca 0.00 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1twh h LEU 121 Cb 0.00 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1twh h LEU 121 CO 0.00 -0.12 0.00 -0.03 0.09 0.00 0.00 178.44 178.38 1twh h MET 122 N 0.24 0.00 0.08 1.13 4.05 -1.86 -3.13 114.93 115.44 1twh h MET 122 Ca 0.74 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.90 1twh h MET 122 Cb 2.00 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.81 1twh h MET 122 CO -0.48 0.00 -1.13 -0.09 0.23 0.00 0.00 176.91 175.45 1twh h ARG 123 N 0.00 0.38 0.00 0.39 2.43 -0.16 0.18 114.38 117.60 1twh h ARG 123 Ca 0.00 -0.52 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 1twh h ARG 123 Cb 0.49 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1twh h ARG 123 CO 0.00 1.20 -0.07 1.96 -1.51 0.00 0.00 179.97 181.55 1twh h GLN 124 N 0.16 0.00 0.00 0.20 4.20 -0.99 -1.65 115.11 117.03 1twh h GLN 124 Ca -0.12 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.47 1twh h GLN 124 Cb 1.81 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.57 1twh h GLN 124 CO 0.19 0.07 -1.14 0.00 -0.67 0.00 0.00 178.83 177.28 1twh h ALA 125 N 1.93 0.63 -0.04 3.87 0.00 -1.36 -3.14 119.26 121.15 1twh h ALA 125 Ca -0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 1twh h ALA 125 Cb 0.28 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1twh h ALA 125 CO 0.01 0.63 -0.35 -0.07 0.00 0.00 0.00 179.25 179.47 1twh h LEU 126 N 0.00 0.07 -0.65 0.00 3.38 0.24 -3.04 115.31 115.31 1twh h LEU 126 Ca -0.10 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1twh h LEU 126 Cb 1.40 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.09 1twh h LEU 126 CO 0.04 0.42 0.40 0.00 0.09 0.00 0.00 178.44 179.39 1twh h ALA 127 N 1.58 0.85 -1.40 1.53 0.00 -1.34 -3.45 119.26 117.03 1twh h ALA 127 Ca 0.01 -0.02 -0.51 0.00 0.00 0.00 0.00 54.91 54.38 1twh h ALA 127 Cb 0.66 -0.20 0.13 0.00 0.00 0.00 0.00 17.79 18.37 1twh h ALA 127 CO 0.05 0.16 -0.80 -0.89 0.00 0.00 0.00 179.25 177.77 1twh n ILE 128 N -4.70 0.50 -0.03 0.00 2.08 -1.15 -4.97 119.36 111.09 1twh n ILE 128 Ca 0.06 -0.41 -0.03 0.00 0.56 0.00 0.00 62.75 62.93 1twh n ILE 128 Cb 0.08 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 38.93 1twh n ILE 128 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1twh n LYS 129 N 1.11 2.23 -2.74 0.38 0.00 -1.26 -4.88 118.16 113.00 1twh n LYS 129 Ca 0.09 0.01 -0.42 0.00 0.00 0.00 0.00 58.31 57.99 1twh n LYS 129 Cb 0.33 -1.14 -0.03 0.00 0.00 0.00 0.00 35.03 34.19 1twh n LYS 129 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1twh s ASP 130 N -3.97 7.17 0.20 3.14 2.15 -1.26 -4.95 116.67 119.15 1twh s ASP 130 Ca -0.05 1.44 0.26 0.00 0.43 0.00 0.00 52.55 54.63 1twh s ASP 130 Cb 0.02 -2.53 0.88 0.00 -0.30 0.00 0.00 42.92 40.99 1twh s ASP 130 CO 0.20 -0.43 1.77 -1.54 -0.17 0.00 0.00 175.17 175.00 1twh n SER 131 N 5.05 0.70 -0.07 -0.34 3.41 -1.26 -2.03 113.62 119.07 1twh n SER 131 Ca 0.08 0.59 -0.18 0.00 -0.26 0.00 0.00 58.87 59.09 1twh n SER 131 Cb 0.49 -0.77 -0.13 0.00 -0.26 0.00 0.00 64.21 63.54 1twh n SER 131 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1twh n LYS 132 N -2.18 0.70 0.32 4.33 5.02 -1.26 -2.78 118.16 122.30 1twh n LYS 132 Ca 0.05 0.19 0.21 0.00 -2.02 0.00 0.00 58.31 56.74 1twh n LYS 132 Cb 0.37 -1.61 1.08 0.00 -0.02 0.00 0.00 35.03 34.85 1twh n LYS 132 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1twh h LYS 133 N 0.03 0.00 0.04 1.97 1.57 -1.94 -2.64 116.57 115.60 1twh h LYS 133 Ca -0.50 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1twh h LYS 133 Cb 1.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.29 1twh h LYS 133 CO -0.00 0.01 -0.02 -0.09 -0.57 0.00 0.00 179.45 178.78 1twh h ARG 134 N 0.00 -0.05 -0.94 3.15 2.43 -1.40 -2.24 114.38 115.33 1twh h ARG 134 Ca -0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1twh h ARG 134 Cb 0.11 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 1twh h ARG 134 CO 0.00 0.53 0.62 0.35 -1.51 0.00 0.00 179.97 179.96 1twh h PHE 135 N -0.95 1.17 0.00 2.20 3.57 -1.52 0.22 116.94 121.63 1twh h PHE 135 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1twh h PHE 135 Cb 0.60 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1twh h PHE 135 CO 0.15 0.71 0.00 0.00 -2.23 0.00 0.00 178.31 176.95 1twh n ALA 136 N -2.36 -0.00 -0.18 2.41 0.00 -1.00 0.32 120.51 119.70 1twh n ALA 136 Ca 0.11 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.74 1twh n ALA 136 Cb 0.04 0.23 0.55 0.00 0.00 0.00 0.00 19.45 20.27 1twh n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1twh h ALA 137 N -1.95 2.26 -0.38 0.00 0.00 -0.73 0.13 119.26 118.60 1twh h ALA 137 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1twh h ALA 137 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1twh h ALA 137 CO 0.00 -0.50 -0.12 -0.84 0.00 0.00 0.00 179.25 177.79 1twh h ILE 138 N 0.33 1.28 -0.85 0.00 -0.00 -0.09 -2.93 117.51 115.24 1twh h ILE 138 Ca 0.40 -1.21 0.17 0.00 -0.00 0.00 0.00 64.86 64.22 1twh h ILE 138 Cb 1.08 1.28 -0.10 0.00 -0.00 0.00 0.00 36.82 39.08 1twh h ILE 138 CO -0.12 0.40 0.41 -0.25 -0.00 0.00 0.00 178.15 178.59 1twh h TRP 139 N 0.55 0.70 -0.55 0.16 7.01 0.24 0.75 115.95 124.81 1twh h TRP 139 Ca 0.09 0.04 0.11 0.00 2.11 0.00 0.00 58.89 61.24 1twh h TRP 139 Cb 0.64 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.49 1twh h TRP 139 CO 0.05 0.10 0.38 1.15 -2.79 0.00 0.00 178.44 177.33 1twh h THR 140 N 0.54 0.85 0.00 2.65 2.02 -0.72 -0.67 112.91 117.57 1twh h THR 140 Ca 0.48 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.58 1twh h THR 140 Cb 0.77 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1twh h THR 140 CO -0.41 0.05 -1.04 0.18 0.37 0.00 0.00 175.52 174.67 1twh n LEU 141 N -4.45 0.75 -0.00 2.58 4.32 0.13 -4.22 117.00 116.11 1twh n LEU 141 Ca 0.09 0.26 0.06 0.00 -0.02 0.00 0.00 56.01 56.41 1twh n LEU 141 Cb 0.43 -0.07 -0.09 0.00 -1.62 0.00 0.00 43.42 42.07 1twh n LEU 141 CO 0.35 -0.14 -0.56 0.00 -1.22 0.00 0.00 177.39 175.81 1twh h LYS 143 N 0.00 0.22 -0.58 0.00 2.10 -1.22 0.44 116.57 117.54 1twh h LYS 143 Ca 0.00 -0.11 0.14 0.00 -2.00 0.00 0.00 60.65 58.68 1twh h LYS 143 Cb 0.52 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.82 1twh h LYS 143 CO 0.00 0.62 0.40 1.15 -2.00 0.00 0.00 179.45 179.62 1twh h THR 144 N 0.19 0.77 -3.38 0.07 2.02 -1.81 -3.45 112.91 107.31 1twh h THR 144 Ca 0.01 -0.05 -0.60 0.00 0.77 0.00 0.00 66.41 66.55 1twh h THR 144 Cb 0.84 0.62 -0.10 0.00 -1.74 0.00 0.00 68.15 67.78 1twh h THR 144 CO 0.07 0.02 0.29 -0.54 0.37 0.00 0.00 175.52 175.73 1twh s LYS 145 N -5.14 4.17 0.00 6.66 -0.14 0.14 -4.90 119.74 120.53 1twh s LYS 145 Ca -0.06 0.74 0.20 0.00 -1.36 0.00 0.00 55.97 55.50 1twh s LYS 145 Cb 0.20 -3.63 -0.13 0.00 -1.68 0.00 0.00 37.83 32.59 1twh s LYS 145 CO 0.74 -0.42 0.92 -1.33 -0.76 0.00 0.00 175.35 174.50 1twh n MET 146 N 5.69 0.80 -4.29 1.68 2.81 -1.26 -4.87 117.12 117.67 1twh n MET 146 Ca 0.02 -0.39 -0.19 0.00 -1.81 0.00 0.00 57.70 55.33 1twh n MET 146 Cb 0.48 -1.44 -0.15 0.00 -0.71 0.00 0.00 33.22 31.41 1twh n MET 146 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1twh s VAL 147 N -2.66 0.63 -1.20 2.03 1.01 -1.26 0.69 120.40 119.64 1twh s VAL 147 Ca 0.11 -0.30 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 1twh s VAL 147 Cb 0.16 -0.56 0.04 0.00 0.00 0.00 0.00 36.38 36.02 1twh s VAL 147 CO 0.70 0.20 1.71 0.00 0.00 0.00 0.00 175.10 177.71 1twh s GLU 149 N 4.84 0.66 -0.12 0.00 2.02 -1.26 -1.21 118.70 123.64 1twh s GLU 149 Ca 0.55 1.44 0.10 0.00 0.02 0.00 0.00 54.97 57.08 1twh s GLU 149 Cb 0.02 -1.69 -0.15 0.00 0.10 0.00 0.00 34.13 32.41 1twh s GLU 149 CO 0.04 -2.84 0.04 2.41 0.02 0.00 0.00 175.26 174.94 1twh n THR 150 N -4.37 0.80 -3.63 3.63 -1.04 -1.26 -3.49 114.28 104.93 1twh n THR 150 Ca 0.10 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.05 61.54 1twh n THR 150 Cb 0.52 -0.68 -0.06 0.00 -1.82 0.00 0.00 70.33 68.29 1twh n THR 150 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1twh s ASP 151 N -4.44 -0.28 -0.28 8.00 1.01 -1.26 -1.92 116.67 117.50 1twh s ASP 151 Ca -0.06 0.47 -0.24 0.00 0.71 0.00 0.00 52.55 53.43 1twh s ASP 151 Cb 0.04 0.45 0.12 0.00 1.01 0.00 0.00 42.92 44.53 1twh s ASP 151 CO 0.48 -0.15 0.98 -0.69 0.21 0.00 0.00 175.17 176.00 1twh s VAL 152 N -0.28 0.00 0.35 -1.27 1.01 -1.03 -4.91 120.40 114.27 1twh s VAL 152 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.78 1twh s VAL 152 Cb -0.03 -1.00 -0.15 0.00 0.00 0.00 0.00 36.38 35.20 1twh s VAL 152 CO -0.07 0.00 0.45 -2.65 0.00 0.00 0.00 175.10 172.83 1twh n PRO 153 N 2.48 0.34 -1.67 2.72 -0.02 -1.26 0.67 135.00 138.26 1twh n PRO 153 Ca -0.13 0.12 -0.20 0.00 -2.02 0.00 0.00 63.50 61.27 1twh n PRO 153 Cb 0.56 -1.27 0.13 0.00 -0.02 0.00 0.00 33.50 32.90 1twh n PRO 153 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1twh n SER 154 N 1.75 0.42 0.00 2.55 3.41 -1.22 -4.68 113.62 115.85 1twh n SER 154 Ca 0.13 -1.54 0.00 0.00 -0.26 0.00 0.00 58.87 57.20 1twh n SER 154 Cb 0.35 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1twh n SER 154 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1twh n GLU 155 N -2.85 0.00 0.00 4.33 1.02 -1.26 -4.89 120.64 116.99 1twh n GLU 155 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1twh n GLU 155 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.86 1twh n GLU 155 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1twh n ASP 156 N 0.00 0.00 -4.45 1.62 8.00 -1.26 -4.46 116.55 115.99 1twh n ASP 156 Ca 0.00 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.06 1twh n ASP 156 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 1twh n ASP 156 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1twh s ASP 157 N -1.73 6.87 0.00 -2.24 1.01 -1.26 -4.92 116.67 114.41 1twh s ASP 157 Ca 0.00 -2.57 0.00 0.00 0.71 0.00 0.00 52.55 50.69 1twh s ASP 157 Cb 0.00 -2.39 0.00 0.00 1.01 0.00 0.00 42.92 41.54 1twh s ASP 157 CO 0.00 -0.88 0.35 -2.65 0.21 0.00 0.00 175.17 172.21 1twh n PRO 158 N 5.96 0.55 -0.14 8.23 -0.02 -1.26 -0.89 135.00 147.43 1twh n PRO 158 Ca 0.30 0.00 0.17 0.00 -2.02 0.00 0.00 63.50 61.95 1twh n PRO 158 Cb 0.46 -1.26 0.55 0.00 -0.02 0.00 0.00 33.50 33.23 1twh n PRO 158 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1twh h THR 159 N 0.13 0.76 -1.84 3.45 2.02 -1.98 -3.47 112.91 111.97 1twh h THR 159 Ca 0.00 -0.11 -0.56 0.00 0.77 0.00 0.00 66.41 66.51 1twh h THR 159 Cb 0.35 0.42 -0.09 0.00 -1.74 0.00 0.00 68.15 67.09 1twh h THR 159 CO 0.00 0.06 -0.56 -1.10 0.37 0.00 0.00 175.52 174.29 1twh s GLN 160 N -5.31 2.24 0.40 6.66 -0.21 -0.07 -5.08 119.66 118.28 1twh s GLN 160 Ca -0.07 -1.67 0.06 0.00 0.02 0.00 0.00 55.36 53.70 1twh s GLN 160 Cb 0.21 -2.05 -0.08 0.00 1.00 0.00 0.00 33.01 32.09 1twh s GLN 160 CO 0.76 0.08 0.02 -0.51 -2.12 0.00 0.00 175.29 173.52 1twh s LEU 161 N -3.81 2.77 0.02 2.90 1.43 -1.26 -3.41 118.68 117.32 1twh s LEU 161 Ca 0.37 -1.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.08 1twh s LEU 161 Cb -0.00 -0.82 -0.02 0.00 0.03 0.00 0.00 46.19 45.38 1twh s LEU 161 CO 0.21 -0.47 0.01 0.54 0.23 0.00 0.00 176.35 176.87 1twh s VAL 162 N -2.80 0.12 0.35 -1.59 0.11 0.21 -4.80 120.40 112.00 1twh s VAL 162 Ca 0.35 -1.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.29 1twh s VAL 162 Cb 0.10 -0.52 -0.07 0.00 -1.53 0.00 0.00 36.38 34.36 1twh s VAL 162 CO 0.18 -0.55 0.71 -0.94 -3.33 0.00 0.00 175.10 171.16 1twh s SER 163 N -1.71 6.58 0.22 3.54 1.04 -1.26 -2.46 113.70 119.65 1twh s SER 163 Ca -0.12 1.08 0.06 0.00 0.48 0.00 0.00 55.95 57.45 1twh s SER 163 Cb -0.06 -2.30 -0.05 0.00 0.10 0.00 0.00 66.02 63.71 1twh s SER 163 CO -0.02 -0.29 -0.08 0.00 0.98 0.00 0.00 173.24 173.83 1twh s ARG 164 N -3.50 1.33 0.00 4.02 1.70 -0.81 -4.94 118.95 116.75 1twh s ARG 164 Ca 0.50 -1.63 0.00 0.00 -0.47 0.00 0.00 55.73 54.13 1twh s ARG 164 Cb -0.10 -0.91 0.00 0.00 -0.57 0.00 0.00 34.95 33.36 1twh s ARG 164 CO 0.27 0.06 0.14 0.41 -1.08 0.00 0.00 175.30 175.10 1twh n GLY 165 N -0.41 0.42 7.00 3.88 0.00 -1.26 -4.76 105.19 110.06 1twh n GLY 165 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1twh n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1twh n GLY 166 N 0.38 1.19 3.17 -0.02 0.00 -1.23 -4.97 105.19 103.70 1twh n GLY 166 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1twh n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1twh n GLY 168 N 0.00 3.27 3.75 0.00 0.00 -0.35 -5.02 105.19 106.85 1twh n GLY 168 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1twh n GLY 168 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1twh s ASN 169 N -0.91 5.24 0.70 1.61 0.01 -1.26 -4.46 114.94 115.87 1twh s ASN 169 Ca 0.00 2.41 -0.11 0.00 -0.71 0.00 0.00 52.86 54.46 1twh s ASN 169 Cb 0.00 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.08 1twh s ASN 169 CO 0.00 -1.56 1.07 -0.89 -1.51 0.00 0.00 177.10 174.21 1twh s THR 170 N -1.57 3.29 -0.03 1.60 2.01 -1.26 -1.28 115.64 118.41 1twh s THR 170 Ca 0.76 0.33 0.07 0.00 0.31 0.00 0.00 61.69 63.16 1twh s THR 170 Cb -0.31 -3.40 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 1twh s THR 170 CO 0.34 -0.51 -0.25 -1.10 -0.69 0.00 0.00 174.62 172.41 1twh s GLN 171 N -5.33 2.18 0.66 4.92 -1.52 0.22 -4.82 119.66 115.97 1twh s GLN 171 Ca 0.58 -0.91 -0.16 0.00 -1.95 0.00 0.00 55.36 52.93 1twh s GLN 171 Cb -0.11 -2.03 -0.00 0.00 -0.22 0.00 0.00 33.01 30.65 1twh s GLN 171 CO 0.50 0.50 1.13 -1.25 -0.25 0.00 0.00 175.29 175.93 1twh s PRO 172 N -0.48 2.74 -0.16 2.91 0.04 -1.26 -4.68 135.00 134.12 1twh s PRO 172 Ca 0.06 1.49 -0.14 0.00 0.04 0.00 0.00 61.00 62.45 1twh s PRO 172 Cb -0.11 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1twh s PRO 172 CO 0.00 -1.31 0.32 0.99 0.04 0.00 0.00 177.00 177.04 1twh s THR 173 N -2.19 5.29 -0.13 1.26 2.01 -1.14 -4.81 115.64 115.92 1twh s THR 173 Ca 0.69 0.60 0.03 0.00 0.31 0.00 0.00 61.69 63.32 1twh s THR 173 Cb -0.23 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 68.64 1twh s THR 173 CO 0.40 0.38 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.87 1twh s ILE 174 N 0.50 1.96 0.26 1.82 1.09 -1.26 -0.55 121.20 125.02 1twh s ILE 174 Ca 0.18 -0.93 0.08 0.00 -1.10 0.00 0.00 60.65 58.88 1twh s ILE 174 Cb -0.13 -1.73 -0.04 0.00 -1.06 0.00 0.00 42.46 39.50 1twh s ILE 174 CO 0.05 0.53 0.12 -0.13 -0.10 0.00 0.00 174.94 175.41 1twh s ARG 175 N 0.77 2.70 0.08 2.79 0.52 -0.39 -4.89 118.95 120.54 1twh s ARG 175 Ca -0.09 -1.18 -0.15 0.00 -0.52 0.00 0.00 55.73 53.79 1twh s ARG 175 Cb -0.16 -2.42 -0.06 0.00 0.52 0.00 0.00 34.95 32.83 1twh s ARG 175 CO -0.00 0.39 0.51 0.21 0.02 0.00 0.00 175.30 176.42 1twh s LYS 176 N -3.78 4.00 -0.46 3.54 2.20 -1.26 0.14 119.74 124.12 1twh s LYS 176 Ca 0.32 0.51 0.07 0.00 -0.36 0.00 0.00 55.97 56.51 1twh s LYS 176 Cb -0.07 -3.09 0.26 0.00 -1.51 0.00 0.00 37.83 33.42 1twh s LYS 176 CO 0.23 0.58 0.88 -3.47 -0.36 0.00 0.00 175.35 173.22 1twh n ASP 177 N 1.31 -2.21 0.00 1.43 -0.08 -0.49 -4.95 116.55 111.56 1twh n ASP 177 Ca -0.09 -3.30 0.00 0.00 -1.51 0.00 0.00 54.79 49.89 1twh n ASP 177 Cb 0.52 1.42 0.00 0.00 2.34 0.00 0.00 41.12 45.39 1twh n ASP 177 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1twh n GLY 178 N 1.29 2.14 0.36 0.27 0.00 -1.26 -2.44 105.19 105.54 1twh n GLY 178 Ca 0.11 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1twh n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1twh n LEU 179 N 0.00 1.83 -4.40 0.99 4.77 -1.26 -5.00 117.00 113.94 1twh n LEU 179 Ca 0.00 -1.11 -0.33 0.00 -0.03 0.00 0.00 56.01 54.54 1twh n LEU 179 Cb 0.00 -0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 40.93 1twh n LEU 179 CO 0.00 0.38 -0.45 -0.54 -1.33 0.00 0.00 177.39 175.45 1twh s LYS 180 N -0.75 3.21 -0.11 3.23 1.02 -1.02 -4.94 119.74 120.37 1twh s LYS 180 Ca 0.11 -0.68 -0.04 0.00 0.02 0.00 0.00 55.97 55.38 1twh s LYS 180 Cb 0.07 -2.58 -0.03 0.00 -0.52 0.00 0.00 37.83 34.77 1twh s LYS 180 CO 0.11 0.30 0.03 -0.51 -0.92 0.00 0.00 175.35 174.36 1twh s LEU 181 N 0.12 3.72 -0.07 3.17 1.43 -1.26 -1.40 118.68 124.39 1twh s LEU 181 Ca -0.06 0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 1twh s LEU 181 Cb -0.15 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1twh s LEU 181 CO 0.05 0.34 -0.19 -0.69 0.23 0.00 0.00 176.35 176.09 1twh s VAL 182 N -0.62 1.60 0.13 -1.59 1.01 0.38 -1.74 120.40 119.57 1twh s VAL 182 Ca 0.11 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1twh s VAL 182 Cb -0.12 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1twh s VAL 182 CO 0.02 0.46 0.17 -0.83 0.00 0.00 0.00 175.10 174.92 1twh s GLY 183 N 0.29 1.84 -0.30 4.51 0.00 0.12 -1.27 107.32 112.50 1twh s GLY 183 Ca -0.11 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.53 1twh s GLY 183 CO 0.05 -1.08 0.32 -0.45 0.00 0.00 0.00 173.10 171.94 1twh s SER 184 N -2.92 1.46 0.14 1.64 0.15 0.29 -0.15 113.70 114.31 1twh s SER 184 Ca 0.32 -0.85 0.02 0.00 0.70 0.00 0.00 55.95 56.14 1twh s SER 184 Cb -0.11 0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 64.74 1twh s SER 184 CO 0.25 -0.37 0.26 0.26 1.20 0.00 0.00 173.24 174.85 1twh s TRP 185 N 2.23 3.47 0.00 3.44 0.51 -1.10 -2.90 118.94 124.59 1twh s TRP 185 Ca 0.11 0.13 0.00 0.00 -2.12 0.00 0.00 56.10 54.21 1twh s TRP 185 Cb -0.14 -1.67 0.00 0.00 -0.81 0.00 0.00 33.47 30.85 1twh s TRP 185 CO -0.28 0.53 0.00 1.17 -0.51 0.00 0.00 176.95 177.86 1twh n LYS 186 N -0.42 2.98 0.00 4.98 4.81 -1.26 -1.87 118.16 127.38 1twh n LYS 186 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1twh n LYS 186 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 1twh n LYS 186 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1twh n LYS 187 N -0.12 2.82 -3.29 1.64 4.76 -1.26 -5.00 118.16 117.70 1twh n LYS 187 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1twh n LYS 187 Cb 0.00 -0.76 0.00 0.00 -1.84 0.00 0.00 35.03 32.43 1twh n LYS 187 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1twh n ASP 188 N -0.81 0.00 -1.70 4.39 8.00 -1.26 -5.05 116.55 120.12 1twh n ASP 188 Ca 0.00 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.33 1twh n ASP 188 Cb 0.01 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.22 1twh n ASP 188 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1twh n ARG 189 N 0.00 2.65 0.00 -1.24 0.63 -1.26 -5.02 116.66 112.42 1twh n ARG 189 Ca 0.00 -3.58 0.00 0.00 -0.92 0.00 0.00 57.85 53.35 1twh n ARG 189 Cb 0.00 -2.08 0.00 0.00 0.45 0.00 0.00 32.46 30.83 1twh n ARG 189 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1twh n ALA 190 N -0.93 0.00 -1.39 5.13 0.00 -1.26 -5.20 120.51 116.85 1twh n ALA 190 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1twh n ALA 190 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.39 1twh n ALA 190 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1twh n THR 191 N 0.00 0.00 -1.50 0.00 -2.24 -1.26 -5.02 114.28 104.26 1twh n THR 191 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1twh n THR 191 Cb 0.00 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.38 1twh n THR 191 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1twh s GLY 192 N 0.00 1.59 0.00 3.38 0.00 -1.26 -5.05 107.32 105.98 1twh s GLY 192 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.11 1twh s GLY 192 CO 0.00 -0.00 0.00 1.22 0.00 0.00 0.00 173.10 174.32 1twh n ASP 193 N -3.89 0.00 -3.00 1.64 9.92 -1.26 -4.85 116.55 115.10 1twh n ASP 193 Ca 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 1twh n ASP 193 Cb 0.59 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 41.07 1twh n ASP 193 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1twh s ALA 194 N 0.00 -3.05 0.31 2.24 0.00 -1.26 -5.15 121.76 114.84 1twh s ALA 194 Ca 0.00 0.47 -0.12 0.00 0.00 0.00 0.00 51.96 52.30 1twh s ALA 194 Cb 0.00 -2.83 -0.08 0.00 0.00 0.00 0.00 23.12 20.21 1twh s ALA 194 CO 0.00 -2.32 0.68 -0.51 0.00 0.00 0.00 175.76 173.61 1twh s ASP 195 N 1.72 6.68 0.00 0.00 1.01 -1.26 -4.62 116.67 120.20 1twh s ASP 195 Ca 0.18 1.13 0.00 0.00 0.71 0.00 0.00 52.55 54.57 1twh s ASP 195 Cb -0.01 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.61 1twh s ASP 195 CO -0.09 -0.20 0.00 1.21 0.21 0.00 0.00 175.17 176.30 1twh n GLU 196 N -0.49 0.00 -1.78 8.23 2.13 -1.26 -5.10 120.64 122.37 1twh n GLU 196 Ca 0.02 0.03 -0.30 0.00 0.66 0.00 0.00 57.16 57.58 1twh n GLU 196 Cb 0.53 0.00 0.08 0.00 0.27 0.00 0.00 31.44 32.32 1twh n GLU 196 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1twh s PRO 197 N -4.07 2.20 -0.33 5.31 0.02 -1.26 -4.90 135.00 131.98 1twh s PRO 197 Ca 0.00 0.36 -0.07 0.00 0.02 0.00 0.00 61.00 61.31 1twh s PRO 197 Cb 0.00 -1.96 0.03 0.00 0.02 0.00 0.00 34.50 32.59 1twh s PRO 197 CO 0.00 -1.48 0.10 -2.00 -0.33 0.00 0.00 177.00 173.30 1twh s GLU 198 N -5.38 2.77 0.30 5.54 2.56 -0.78 -4.87 118.70 118.83 1twh s GLU 198 Ca 0.61 -1.08 -0.06 0.00 0.00 0.00 0.00 54.97 54.43 1twh s GLU 198 Cb -0.12 -3.45 -0.06 0.00 2.00 0.00 0.00 34.13 32.50 1twh s GLU 198 CO 0.52 -0.60 0.58 -0.51 -0.56 0.00 0.00 175.26 174.68 1twh s LEU 199 N 1.44 4.04 -0.30 2.70 1.43 -1.26 -2.70 118.68 124.03 1twh s LEU 199 Ca -0.00 0.80 -0.16 0.00 -1.03 0.00 0.00 54.13 53.73 1twh s LEU 199 Cb -0.19 -3.62 0.18 0.00 0.03 0.00 0.00 46.19 42.59 1twh s LEU 199 CO 0.03 -0.21 1.11 -0.60 0.23 0.00 0.00 176.35 176.91 1twh s ARG 200 N -3.48 0.22 0.81 1.70 3.52 0.79 -4.96 118.95 117.54 1twh s ARG 200 Ca 0.45 0.42 -0.13 0.00 -0.13 0.00 0.00 55.73 56.34 1twh s ARG 200 Cb -0.11 0.11 0.08 0.00 -1.56 0.00 0.00 34.95 33.48 1twh s ARG 200 CO 0.29 -0.05 1.18 0.08 -0.81 0.00 0.00 175.30 175.98 1twh s VAL 201 N 1.52 2.27 -0.25 7.11 1.01 -1.26 0.11 120.40 130.91 1twh s VAL 201 Ca -0.07 0.11 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 1twh s VAL 201 Cb -0.03 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1twh s VAL 201 CO -0.14 -0.09 0.41 -0.76 0.00 0.00 0.00 175.10 174.52 1twh s LEU 202 N -5.81 4.07 0.39 3.92 1.43 -0.71 -4.72 118.68 117.24 1twh s LEU 202 Ca 0.70 0.40 -0.22 0.00 -1.03 0.00 0.00 54.13 53.98 1twh s LEU 202 Cb -0.26 -2.50 -0.11 0.00 0.03 0.00 0.00 46.19 43.35 1twh s LEU 202 CO 0.51 -0.18 0.94 -0.94 0.23 0.00 0.00 176.35 176.91 1twh s SER 203 N 1.48 7.06 0.32 2.29 1.04 -1.26 -4.46 113.70 120.17 1twh s SER 203 Ca 0.17 1.72 0.10 0.00 0.48 0.00 0.00 55.95 58.42 1twh s SER 203 Cb -0.15 -2.55 0.88 0.00 0.10 0.00 0.00 66.02 64.29 1twh s SER 203 CO 0.09 -0.27 1.74 0.74 0.98 0.00 0.00 173.24 176.53 1twh h THR 204 N 2.13 0.57 -0.70 2.02 2.02 -1.97 -1.82 112.91 115.16 1twh h THR 204 Ca -0.48 -0.21 0.03 0.00 0.77 0.00 0.00 66.41 66.52 1twh h THR 204 Cb 1.18 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1twh h THR 204 CO 0.62 0.11 0.46 -0.08 0.37 0.00 0.00 175.52 177.00 1twh h GLU 205 N 0.60 0.84 0.12 6.66 4.81 -1.90 0.04 114.58 125.75 1twh h GLU 205 Ca 0.63 -0.05 -0.34 0.00 -0.13 0.00 0.00 59.36 59.47 1twh h GLU 205 Cb 1.19 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1twh h GLU 205 CO -0.45 0.55 -1.79 0.93 -0.73 0.00 0.00 179.01 177.53 1twh h GLU 206 N 0.86 0.25 -0.60 1.92 5.08 -1.70 -3.17 114.58 117.21 1twh h GLU 206 Ca 0.27 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1twh h GLU 206 Cb 0.03 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1twh h GLU 206 CO -0.07 1.11 0.38 0.82 -1.00 0.00 0.00 179.01 180.25 1twh h ILE 207 N 0.07 1.17 -0.11 3.13 1.08 -1.17 0.38 117.51 122.05 1twh h ILE 207 Ca -0.34 -0.33 0.03 0.00 -0.39 0.00 0.00 64.86 63.83 1twh h ILE 207 Cb 2.04 0.31 -0.00 0.00 -3.07 0.00 0.00 36.82 36.09 1twh h ILE 207 CO 0.13 0.16 0.16 0.25 -0.69 0.00 0.00 178.15 178.16 1twh h LEU 208 N 0.82 0.00 0.00 1.44 5.85 -1.04 0.97 115.31 123.35 1twh h LEU 208 Ca 0.22 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 58.56 1twh h LEU 208 Cb -0.06 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 40.90 1twh h LEU 208 CO -0.04 0.00 -2.43 -3.20 -0.34 0.00 0.00 178.44 172.42 1twh n ASN 209 N -3.57 0.94 0.03 1.25 2.85 0.25 -2.29 115.26 114.72 1twh n ASN 209 Ca -0.00 -0.07 -0.03 0.00 -0.11 0.00 0.00 54.58 54.37 1twh n ASN 209 Cb 0.26 0.33 0.20 0.00 1.24 0.00 0.00 39.78 41.81 1twh n ASN 209 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1twh h ILE 210 N 0.00 1.28 -0.56 -1.44 5.03 0.80 -3.20 117.51 119.41 1twh h ILE 210 Ca -0.56 -1.34 -0.07 0.00 -0.12 0.00 0.00 64.86 62.76 1twh h ILE 210 Cb 2.08 1.44 -0.02 0.00 -3.03 0.00 0.00 36.82 37.29 1twh h ILE 210 CO -0.03 0.42 0.05 -0.26 -0.68 0.00 0.00 178.15 177.65 1twh h PHE 211 N 0.38 0.98 0.00 1.37 -1.00 -0.80 -1.70 116.94 116.17 1twh h PHE 211 Ca 0.05 -0.13 0.00 0.00 2.81 0.00 0.00 57.97 60.70 1twh h PHE 211 Cb 0.72 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 40.01 1twh h PHE 211 CO 0.02 0.86 0.00 0.87 -1.61 0.00 0.00 178.31 178.45 1twh h LYS 212 N 0.86 0.00 -0.50 1.51 1.57 -1.45 0.47 116.57 119.03 1twh h LYS 212 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1twh h LYS 212 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1twh h LYS 212 CO 0.02 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.62 1twh n HIS 213 N -2.85 0.66 -2.95 -1.35 8.25 -0.65 -4.91 115.22 111.41 1twh n HIS 213 Ca -0.01 -0.38 -0.39 0.00 -0.26 0.00 0.00 57.72 56.68 1twh n HIS 213 Cb 0.16 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 1twh n HIS 213 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1twh s ILE 214 N -1.18 4.35 0.34 1.59 1.01 0.15 -4.75 121.20 122.71 1twh s ILE 214 Ca 0.39 1.75 -0.26 0.00 0.00 0.00 0.00 60.65 62.53 1twh s ILE 214 Cb 0.21 -4.16 -0.09 0.00 0.01 0.00 0.00 42.46 38.43 1twh s ILE 214 CO 0.29 0.51 1.06 -0.94 0.00 0.00 0.00 174.94 175.86 1twh s SER 215 N -1.10 7.01 0.32 3.58 1.04 -1.26 -4.80 113.70 118.50 1twh s SER 215 Ca 0.36 2.11 0.02 0.00 0.48 0.00 0.00 55.95 58.93 1twh s SER 215 Cb -0.23 -2.60 0.59 0.00 0.10 0.00 0.00 66.02 63.88 1twh s SER 215 CO 0.27 -0.32 1.93 0.58 0.98 0.00 0.00 173.24 176.68 1twh h VAL 216 N 2.58 1.06 -0.40 5.02 2.07 -1.98 0.51 116.25 125.10 1twh h VAL 216 Ca -0.47 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 66.79 1twh h VAL 216 Cb 1.21 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 1twh h VAL 216 CO 0.64 0.17 0.00 0.50 0.02 0.00 0.00 177.57 178.91 1twh h LYS 217 N 0.94 0.11 0.07 1.57 3.64 -1.99 -0.91 116.57 119.99 1twh h LYS 217 Ca 0.36 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.50 1twh h LYS 217 Cb 0.21 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1twh h LYS 217 CO -0.13 0.07 -0.96 -0.44 -2.27 0.00 0.00 179.45 175.72 1twh h ASP 218 N 0.11 0.72 1.56 4.20 3.32 -1.48 -0.19 116.42 124.66 1twh h ASP 218 Ca 0.20 -0.81 0.00 0.00 0.02 0.00 0.00 57.03 56.43 1twh h ASP 218 Cb 0.28 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1twh h ASP 218 CO -0.33 1.45 0.00 2.19 -1.72 0.00 0.00 179.24 180.84 1twh h PHE 219 N 0.08 0.00 0.14 4.55 -5.15 0.63 -2.75 116.94 114.44 1twh h PHE 219 Ca -0.14 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.62 1twh h PHE 219 Cb 1.66 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.84 1twh h PHE 219 CO 0.14 0.00 -0.07 1.15 -2.00 0.00 0.00 178.31 177.53 1twh h THR 220 N 0.00 0.99 -1.30 0.88 2.02 -1.09 0.15 112.91 114.55 1twh h THR 220 Ca 0.00 -1.11 0.46 0.00 0.77 0.00 0.00 66.41 66.53 1twh h THR 220 Cb 0.78 1.61 -0.14 0.00 -1.74 0.00 0.00 68.15 68.66 1twh h THR 220 CO 0.00 0.24 0.82 -0.24 0.37 0.00 0.00 175.52 176.71 1twh n SER 221 N -4.92 0.23 0.00 4.18 2.88 -0.09 0.11 113.62 116.00 1twh n SER 221 Ca -0.08 1.42 0.16 0.00 -1.33 0.00 0.00 58.87 59.03 1twh n SER 221 Cb 0.27 -0.70 0.92 0.00 -0.75 0.00 0.00 64.21 63.95 1twh n SER 221 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1twh n LEU 222 N -4.79 0.00 0.00 2.46 4.77 0.48 -4.65 117.00 115.27 1twh n LEU 222 Ca 0.40 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1twh n LEU 222 Cb 1.51 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 42.56 1twh n LEU 222 CO 0.15 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 1twh n GLY 223 N 1.01 1.51 3.70 -0.72 0.00 0.30 -4.51 105.19 106.49 1twh n GLY 223 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 1twh n GLY 223 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1twh s PHE 224 N -2.57 1.95 -0.07 1.61 0.40 -0.85 -4.61 117.98 113.84 1twh s PHE 224 Ca 0.00 0.84 -0.03 0.00 -0.60 0.00 0.00 56.93 57.14 1twh s PHE 224 Cb 0.00 -3.36 0.04 0.00 0.51 0.00 0.00 43.02 40.21 1twh s PHE 224 CO 0.00 -2.92 0.15 1.21 0.70 0.00 0.00 175.22 174.36 1twh s ASN 225 N -3.72 0.25 0.55 1.36 3.84 -0.97 -4.37 114.94 111.86 1twh s ASN 225 Ca 0.66 0.31 0.31 0.00 0.21 0.00 0.00 52.86 54.35 1twh s ASN 225 Cb -0.16 0.22 1.05 0.00 -0.55 0.00 0.00 41.25 41.81 1twh s ASN 225 CO 0.56 -0.19 1.26 -1.84 -2.79 0.00 0.00 177.10 174.10 1twh n GLU 226 N 4.67 0.01 -0.06 0.43 0.28 -1.26 0.14 120.64 124.86 1twh n GLU 226 Ca -0.18 0.96 -0.07 0.00 -0.16 0.00 0.00 57.16 57.71 1twh n GLU 226 Cb 0.51 -2.34 -0.06 0.00 1.43 0.00 0.00 31.44 30.98 1twh n GLU 226 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1twh n VAL 227 N -3.28 0.68 -0.08 3.84 0.31 -1.26 -4.77 118.33 113.77 1twh n VAL 227 Ca 0.27 -0.31 -0.10 0.00 -0.01 0.00 0.00 64.34 64.19 1twh n VAL 227 Cb 1.54 -0.87 -0.09 0.00 -0.91 0.00 0.00 33.84 33.51 1twh n VAL 227 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1twh n PHE 228 N -2.69 0.00 -3.45 3.52 0.99 -0.10 -4.91 117.46 110.82 1twh n PHE 228 Ca -0.19 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.04 1twh n PHE 228 Cb 0.75 -0.69 -0.12 0.00 -1.00 0.00 0.00 39.48 38.43 1twh n PHE 228 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1twh s SER 229 N -5.32 2.39 0.37 4.37 1.04 0.38 -0.10 113.70 116.83 1twh s SER 229 Ca -0.17 -1.08 -0.00 0.00 0.48 0.00 0.00 55.95 55.18 1twh s SER 229 Cb 0.05 0.15 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 1twh s SER 229 CO 0.48 -0.40 0.58 -0.13 0.98 0.00 0.00 173.24 174.75 1twh s ARG 230 N 2.14 3.45 0.31 4.02 0.52 -1.20 -2.30 118.95 125.89 1twh s ARG 230 Ca 0.10 -0.30 0.00 0.00 -0.52 0.00 0.00 55.73 55.01 1twh s ARG 230 Cb -0.15 -2.63 0.50 0.00 0.52 0.00 0.00 34.95 33.19 1twh s ARG 230 CO -0.31 0.07 1.93 -1.00 0.02 0.00 0.00 175.30 176.01 1twh h PRO 231 N 0.67 0.88 -0.47 3.54 0.13 -1.93 0.20 132.00 135.01 1twh h PRO 231 Ca -0.49 -0.10 0.14 0.00 -0.87 0.00 0.00 66.00 64.68 1twh h PRO 231 Cb 1.22 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 1twh h PRO 231 CO 0.61 0.66 0.54 1.05 -0.23 0.00 0.00 178.00 180.63 1twh h GLU 232 N 0.89 0.00 -0.00 0.86 9.09 -1.91 -1.98 114.58 121.52 1twh h GLU 232 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.63 1twh h GLU 232 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.15 1twh h GLU 232 CO -0.03 0.00 -0.01 0.91 0.05 0.00 0.00 179.01 179.92 1twh n TRP 233 N -3.62 0.00 0.73 2.06 8.01 0.69 -0.97 117.44 124.33 1twh n TRP 233 Ca 0.09 0.00 0.11 0.00 -1.31 0.00 0.00 57.50 56.39 1twh n TRP 233 Cb 0.73 -0.03 0.46 0.00 -2.01 0.00 0.00 31.31 30.45 1twh n TRP 233 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.69 175.35 1twh n MET 234 N -0.71 0.02 -3.96 -0.99 2.81 -0.74 -4.59 117.12 108.96 1twh n MET 234 Ca 0.21 0.14 -0.35 0.00 -1.81 0.00 0.00 57.70 55.90 1twh n MET 234 Cb 0.20 -1.53 -0.10 0.00 -0.71 0.00 0.00 33.22 31.07 1twh n MET 234 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1twh s ILE 235 N -3.02 4.72 0.05 2.02 1.01 -0.15 -2.38 121.20 123.45 1twh s ILE 235 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.70 1twh s ILE 235 Cb 0.14 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 1twh s ILE 235 CO 0.41 0.43 0.15 -0.76 0.00 0.00 0.00 174.94 175.17 1twh s LEU 236 N 0.64 4.15 0.00 2.97 1.43 -1.02 -4.91 118.68 121.94 1twh s LEU 236 Ca 0.03 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1twh s LEU 236 Cb -0.13 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.40 1twh s LEU 236 CO 0.02 0.20 0.00 0.41 0.23 0.00 0.00 176.35 177.20 1twh n THR 237 N 0.54 0.00 -4.63 5.49 -1.04 -1.26 -1.15 114.28 112.23 1twh n THR 237 Ca -0.08 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.69 1twh n THR 237 Cb 0.52 -0.11 -0.16 0.00 -1.82 0.00 0.00 70.33 68.75 1twh n THR 237 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1twh s LEU 239 N 0.35 1.88 0.02 0.00 0.20 -0.08 -4.91 118.68 116.14 1twh s LEU 239 Ca -0.08 -0.48 -0.30 0.00 0.69 0.00 0.00 54.13 53.96 1twh s LEU 239 Cb -0.13 -1.20 -0.09 0.00 -0.43 0.00 0.00 46.19 44.34 1twh s LEU 239 CO 0.03 0.07 1.98 -2.84 -0.29 0.00 0.00 176.35 175.29 1twh s PRO 240 N 0.76 4.07 -0.41 0.98 0.02 -1.26 -2.03 135.00 137.13 1twh s PRO 240 Ca -0.11 2.56 -0.22 0.00 0.02 0.00 0.00 61.00 63.25 1twh s PRO 240 Cb -0.16 -4.17 0.02 0.00 0.02 0.00 0.00 34.50 30.21 1twh s PRO 240 CO 0.02 -1.03 0.74 0.08 -0.33 0.00 0.00 177.00 176.47 1twh s VAL 241 N 4.71 4.74 0.47 3.83 1.01 -0.15 -4.94 120.40 130.07 1twh s VAL 241 Ca 0.89 0.50 -0.24 0.00 0.00 0.00 0.00 61.98 63.13 1twh s VAL 241 Cb -0.42 -4.24 -0.07 0.00 0.00 0.00 0.00 36.38 31.66 1twh s VAL 241 CO 0.41 -0.57 1.30 -2.16 0.00 0.00 0.00 175.10 174.08 1twh s PRO 242 N 3.08 3.60 0.72 2.72 0.04 -1.26 -1.48 135.00 142.41 1twh s PRO 242 Ca 0.28 2.12 -0.13 0.00 0.04 0.00 0.00 61.00 63.31 1twh s PRO 242 Cb -0.13 -2.48 0.03 0.00 0.04 0.00 0.00 34.50 31.96 1twh s PRO 242 CO 0.20 -0.79 1.11 -1.25 0.04 0.00 0.00 177.00 176.30 1twh s PRO 243 N -2.61 2.48 0.11 0.56 0.04 -1.15 -4.89 135.00 129.54 1twh s PRO 243 Ca 0.64 1.30 0.04 0.00 0.04 0.00 0.00 61.00 63.02 1twh s PRO 243 Cb -0.37 -1.92 0.23 0.00 0.04 0.00 0.00 34.50 32.48 1twh s PRO 243 CO 0.46 -1.49 0.93 -0.35 0.04 0.00 0.00 177.00 176.59 1twh n PRO 244 N -2.99 0.03 -0.25 0.56 -0.04 -1.26 -1.41 135.00 129.64 1twh n PRO 244 Ca 0.10 0.37 -0.04 0.00 -0.04 0.00 0.00 63.50 63.89 1twh n PRO 244 Cb 0.52 -1.87 0.12 0.00 -0.04 0.00 0.00 33.50 32.24 1twh n PRO 244 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1twh h PRO 245 N 0.00 1.09 -0.57 0.54 0.11 -1.92 -2.95 132.00 128.30 1twh h PRO 245 Ca 0.00 -0.18 0.01 0.00 0.11 0.00 0.00 66.00 65.94 1twh h PRO 245 Cb 0.55 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.44 1twh h PRO 245 CO 0.00 0.87 0.38 0.28 -0.21 0.00 0.00 178.00 179.31 1twh h VAL 246 N 1.07 1.13 -3.58 3.15 2.07 -1.58 -3.43 116.25 115.09 1twh h VAL 246 Ca 0.25 -0.26 -0.64 0.00 0.82 0.00 0.00 66.70 66.88 1twh h VAL 246 Cb 0.17 0.32 -0.14 0.00 -1.52 0.00 0.00 31.29 30.12 1twh h VAL 246 CO -0.03 0.14 0.06 0.00 0.02 0.00 0.00 177.57 177.76 1twh s ARG 247 N -5.65 3.66 0.18 1.57 1.70 -1.12 -5.07 118.95 114.22 1twh s ARG 247 Ca -0.09 -0.04 0.23 0.00 -0.47 0.00 0.00 55.73 55.36 1twh s ARG 247 Cb 0.18 -3.81 0.03 0.00 -0.57 0.00 0.00 34.95 30.78 1twh s ARG 247 CO 0.75 -0.69 1.05 -0.35 -1.08 0.00 0.00 175.30 174.99 1twh n PRO 248 N 5.90 0.55 0.00 3.89 -0.04 -1.26 -4.97 135.00 139.08 1twh n PRO 248 Ca -0.03 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1twh n PRO 248 Cb 0.49 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 1twh n PRO 248 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1twh n ASP 261 N -2.56 0.00 0.00 3.54 8.00 -1.26 -5.18 116.55 119.09 1twh n ASP 261 Ca 0.00 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.66 1twh n ASP 261 Cb 0.53 0.00 0.86 0.00 -0.02 0.00 0.00 41.12 42.49 1twh n ASP 261 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1twh n LEU 262 N 0.00 0.00 -0.09 0.64 4.77 -1.26 -3.90 117.00 117.16 1twh n LEU 262 Ca 0.00 0.10 -0.21 0.00 -0.03 0.00 0.00 56.01 55.87 1twh n LEU 262 Cb 0.00 -0.10 -0.12 0.00 -2.33 0.00 0.00 43.42 40.87 1twh n LEU 262 CO 0.00 -0.00 -0.43 0.74 -1.33 0.00 0.00 177.39 176.36 1twh h THR 263 N 0.00 1.00 -0.91 -5.08 2.02 -2.01 -2.96 112.91 104.97 1twh h THR 263 Ca 0.00 -2.21 0.26 0.00 0.77 0.00 0.00 66.41 65.23 1twh h THR 263 Cb 0.10 2.38 -0.04 0.00 -1.74 0.00 0.00 68.15 68.85 1twh h THR 263 CO 0.00 0.39 0.92 -0.26 0.37 0.00 0.00 175.52 176.94 1twh h PHE 264 N -0.92 0.00 0.00 3.16 -1.00 -2.01 1.02 116.94 117.19 1twh h PHE 264 Ca -0.31 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.32 1twh h PHE 264 Cb 1.33 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.86 1twh h PHE 264 CO 0.12 0.00 -2.10 1.17 -1.61 0.00 0.00 178.31 175.89 1twh n LYS 265 N -3.57 0.73 0.07 1.51 3.00 -1.21 -3.44 118.16 115.25 1twh n LYS 265 Ca 0.20 -0.11 -0.07 0.00 -0.00 0.00 0.00 58.31 58.32 1twh n LYS 265 Cb 1.22 -1.49 -0.10 0.00 0.00 0.00 0.00 35.03 34.65 1twh n LYS 265 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1twh h LEU 266 N 0.00 0.02 -0.53 3.14 3.38 -1.01 -2.83 115.31 117.47 1twh h LEU 266 Ca -0.22 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.77 1twh h LEU 266 Cb 1.47 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 42.15 1twh h LEU 266 CO 0.01 0.99 -0.31 0.00 0.09 0.00 0.00 178.44 179.22 1twh n ALA 267 N -2.36 -0.34 0.29 1.53 0.00 0.34 -2.27 120.51 117.70 1twh n ALA 267 Ca -0.00 0.45 0.16 0.00 0.00 0.00 0.00 53.44 54.05 1twh n ALA 267 Cb 0.92 0.07 0.59 0.00 0.00 0.00 0.00 19.45 21.03 1twh n ALA 267 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1twh h ASP 268 N 0.00 0.00 0.60 0.00 3.32 -1.63 -0.23 116.42 118.48 1twh h ASP 268 Ca 0.08 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.91 1twh h ASP 268 Cb 0.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1twh h ASP 268 CO -0.50 0.00 -1.01 0.40 -1.72 0.00 0.00 179.24 176.41 1twh h ILE 269 N 0.00 1.50 -0.06 0.35 2.04 -1.19 -2.82 117.51 117.34 1twh h ILE 269 Ca 0.00 -2.80 -0.24 0.00 1.00 0.00 0.00 64.86 62.82 1twh h ILE 269 Cb 0.58 2.64 0.02 0.00 -0.74 0.00 0.00 36.82 39.31 1twh h ILE 269 CO 0.00 0.82 -0.90 -0.07 0.00 0.00 0.00 178.15 178.00 1twh h LEU 270 N 0.11 0.89 -0.70 1.44 -0.00 -0.78 -0.29 115.31 115.98 1twh h LEU 270 Ca -0.07 -0.70 0.10 0.00 -0.00 0.00 0.00 57.88 57.21 1twh h LEU 270 Cb 1.68 -0.27 -0.12 0.00 -0.00 0.00 0.00 40.66 41.95 1twh h LEU 270 CO 0.16 1.46 -0.42 0.11 -0.00 0.00 0.00 178.44 179.75 1twh h LYS 271 N 0.40 -0.15 0.00 1.13 1.57 -1.32 1.47 116.57 119.67 1twh h LYS 271 Ca -0.10 0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.56 1twh h LYS 271 Cb 1.55 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.88 1twh h LYS 271 CO 0.18 -0.10 -0.63 0.00 -0.57 0.00 0.00 179.45 178.33 1twh h ALA 272 N 0.83 0.84 -0.09 3.86 0.00 -1.52 -2.15 119.26 121.03 1twh h ALA 272 Ca 0.22 -0.57 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 1twh h ALA 272 Cb 0.56 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1twh h ALA 272 CO -0.77 0.79 -0.57 -0.97 0.00 0.00 0.00 179.25 177.73 1twh h ASN 273 N 0.00 0.32 -0.40 0.00 -1.24 0.82 -2.99 115.58 112.09 1twh h ASN 273 Ca -0.01 -0.18 -0.06 0.00 0.71 0.00 0.00 56.30 56.77 1twh h ASN 273 Cb 1.20 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 40.14 1twh h ASN 273 CO 0.08 0.83 0.01 0.40 -1.29 0.00 0.00 177.43 177.46 1twh h ILE 274 N 0.22 1.26 -0.04 2.57 1.08 0.23 -3.00 117.51 119.83 1twh h ILE 274 Ca -0.00 -0.98 0.00 0.00 -0.39 0.00 0.00 64.86 63.49 1twh h ILE 274 Cb 1.07 1.11 0.00 0.00 -3.07 0.00 0.00 36.82 35.93 1twh h ILE 274 CO 0.09 0.33 0.00 -1.54 -0.69 0.00 0.00 178.15 176.34 1twh n SER 275 N -4.46 1.54 -0.06 1.72 3.41 -0.84 -2.40 113.62 112.52 1twh n SER 275 Ca -0.01 -1.54 -0.10 0.00 -0.26 0.00 0.00 58.87 56.96 1twh n SER 275 Cb 0.27 -0.02 -0.15 0.00 -0.26 0.00 0.00 64.21 64.06 1twh n SER 275 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1twh n LEU 276 N 0.21 0.60 0.10 1.04 7.94 -1.15 -3.80 117.00 121.94 1twh n LEU 276 Ca 0.19 0.19 -0.22 0.00 -1.11 0.00 0.00 56.01 55.06 1twh n LEU 276 Cb 0.35 0.24 -0.15 0.00 0.53 0.00 0.00 43.42 44.39 1twh n LEU 276 CO 0.16 0.48 -0.35 -0.33 -1.11 0.00 0.00 177.39 176.24 1twh h GLU 277 N 0.00 0.40 -2.11 1.96 5.08 -1.47 -3.02 114.58 115.43 1twh h GLU 277 Ca -0.42 -0.69 -0.04 0.00 -1.00 0.00 0.00 59.36 57.20 1twh h GLU 277 Cb 2.12 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 31.61 1twh h GLU 277 CO 0.05 1.31 -0.04 2.41 -1.00 0.00 0.00 179.01 181.74 1twh n THR 278 N -3.60 1.61 0.00 1.13 -1.04 -1.01 -2.02 114.28 109.35 1twh n THR 278 Ca -0.19 -0.58 0.00 0.00 -2.04 0.00 0.00 64.05 61.24 1twh n THR 278 Cb 1.08 -1.51 0.00 0.00 -1.82 0.00 0.00 70.33 68.07 1twh n THR 278 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1twh n LEU 279 N 1.99 0.00 0.18 -4.42 4.77 -1.24 -4.50 117.00 113.78 1twh n LEU 279 Ca 0.10 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.24 1twh n LEU 279 Cb 0.44 0.19 0.77 0.00 -2.33 0.00 0.00 43.42 42.50 1twh n LEU 279 CO 0.05 -0.19 1.14 -0.33 -1.33 0.00 0.00 177.39 176.73 1twh h GLU 280 N 0.00 0.00 0.00 3.23 5.08 -1.57 -2.88 114.58 118.44 1twh h GLU 280 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1twh h GLU 280 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1twh h GLU 280 CO 0.00 0.00 -0.13 1.25 -1.00 0.00 0.00 179.01 179.13 1twh h HIS 281 N 0.00 0.00 0.00 4.33 2.76 -1.67 -3.34 115.15 117.23 1twh h HIS 281 Ca 0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1twh h HIS 281 Cb 0.46 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.42 1twh h HIS 281 CO 0.00 0.68 0.00 0.09 -1.30 0.00 0.00 177.93 177.40 1twh n ASN 282 N -4.65 0.00 -0.99 3.26 3.02 -1.23 -4.95 115.26 109.72 1twh n ASN 282 Ca -0.09 0.37 0.12 0.00 -0.03 0.00 0.00 54.58 54.95 1twh n ASN 282 Cb 0.34 -0.37 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 1twh n ASN 282 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1twh n GLY 283 N -1.27 -2.91 0.00 7.41 0.00 -1.09 -5.04 105.19 102.29 1twh n GLY 283 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1twh n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1twh n ALA 284 N -3.43 0.00 -1.66 4.61 0.00 -1.19 -4.69 120.51 114.15 1twh n ALA 284 Ca -0.05 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.93 1twh n ALA 284 Cb 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 1twh n ALA 284 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1twh n PRO 285 N -0.24 2.06 0.00 0.00 -0.02 -1.26 -4.84 135.00 130.70 1twh n PRO 285 Ca 0.00 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1twh n PRO 285 Cb 0.00 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 30.99 1twh n PRO 285 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1twh n HIS 286 N 3.13 0.00 0.04 6.00 8.25 -1.26 -0.62 115.22 130.75 1twh n HIS 286 Ca 0.16 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.80 1twh n HIS 286 Cb 0.28 0.00 0.38 0.00 1.12 0.00 0.00 29.99 31.77 1twh n HIS 286 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1twh h HIS 287 N 0.00 0.00 -0.14 4.41 -0.00 -2.00 -1.76 115.15 115.66 1twh h HIS 287 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 60.22 1twh h HIS 287 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 1twh h HIS 287 CO 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 177.93 177.37 1twh h ALA 288 N 0.57 0.77 0.25 5.26 0.00 -1.20 -3.01 119.26 121.90 1twh h ALA 288 Ca 0.26 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1twh h ALA 288 Cb 2.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.93 1twh h ALA 288 CO -0.00 0.70 -0.12 0.82 0.00 0.00 0.00 179.25 180.64 1twh h ILE 289 N 0.33 0.73 -0.84 0.00 1.08 -1.35 0.58 117.51 118.05 1twh h ILE 289 Ca 0.00 -0.81 0.16 0.00 -0.39 0.00 0.00 64.86 63.82 1twh h ILE 289 Cb 1.08 1.13 -0.15 0.00 -3.07 0.00 0.00 36.82 35.81 1twh h ILE 289 CO 0.10 0.15 -0.27 -0.33 -0.69 0.00 0.00 178.15 177.12 1twh h GLU 290 N -0.81 -0.03 -0.29 2.37 5.08 -1.57 0.23 114.58 119.56 1twh h GLU 290 Ca -0.03 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1twh h GLU 290 Cb 0.51 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1twh h GLU 290 CO 0.06 -0.02 -0.20 1.49 -1.00 0.00 0.00 179.01 179.34 1twh h GLU 291 N -0.03 0.65 -0.53 2.33 4.81 -1.29 0.64 114.58 121.16 1twh h GLU 291 Ca 0.37 -0.31 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 1twh h GLU 291 Cb 0.61 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1twh h GLU 291 CO -0.87 0.90 0.02 0.00 -0.73 0.00 0.00 179.01 178.33 1twh h ALA 292 N 0.73 0.72 0.02 2.92 0.00 -0.52 -0.01 119.26 123.13 1twh h ALA 292 Ca 0.06 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1twh h ALA 292 Cb 0.74 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1twh h ALA 292 CO 0.05 0.52 -0.38 0.93 0.00 0.00 0.00 179.25 180.38 1twh h GLU 293 N 0.80 -0.53 0.00 0.00 5.08 0.01 -0.34 114.58 119.60 1twh h GLU 293 Ca 0.15 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1twh h GLU 293 Cb 0.51 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1twh h GLU 293 CO 0.02 -0.35 0.00 0.77 -1.00 0.00 0.00 179.01 178.45 1twh h SER 294 N -0.55 0.00 0.19 1.42 0.02 0.22 0.36 113.55 115.21 1twh h SER 294 Ca 0.05 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.68 1twh h SER 294 Cb 0.62 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.19 1twh h SER 294 CO -0.28 0.00 -1.36 0.25 -1.14 0.00 0.00 176.83 174.30 1twh h LEU 295 N 0.00 0.87 -0.36 5.07 5.85 -1.26 -2.46 115.31 123.01 1twh h LEU 295 Ca 0.00 -0.86 0.04 0.00 0.84 0.00 0.00 57.88 57.90 1twh h LEU 295 Cb 0.33 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 1twh h LEU 295 CO 0.00 1.66 -0.34 0.25 -0.34 0.00 0.00 178.44 179.67 1twh h LEU 296 N 0.22 -1.19 -0.90 2.25 5.85 0.15 -2.77 115.31 118.91 1twh h LEU 296 Ca -0.22 0.17 0.17 0.00 0.84 0.00 0.00 57.88 58.83 1twh h LEU 296 Cb 2.04 0.50 -0.16 0.00 0.37 0.00 0.00 40.66 43.41 1twh h LEU 296 CO 0.26 -0.21 -0.26 1.67 -0.34 0.00 0.00 178.44 179.56 1twh n GLN 297 N -4.33 -0.12 -0.09 1.25 -0.06 -1.11 -0.48 117.38 112.43 1twh n GLN 297 Ca -0.01 1.40 0.21 0.00 -2.00 0.00 0.00 57.00 56.61 1twh n GLN 297 Cb 0.19 -2.09 0.65 0.00 -4.06 0.00 0.00 30.24 24.93 1twh n GLN 297 CO 0.00 0.00 0.00 0.35 -0.20 0.00 0.00 177.06 177.21 1twh h PHE 298 N 0.00 0.13 0.03 3.69 3.57 -1.15 -1.84 116.94 121.37 1twh h PHE 298 Ca 0.40 0.00 -0.38 0.00 3.53 0.00 0.00 57.97 61.53 1twh h PHE 298 Cb 0.63 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.27 1twh h PHE 298 CO -0.72 0.04 -2.31 0.72 -2.23 0.00 0.00 178.31 173.81 1twh n HIS 299 N -4.38 0.38 -0.13 0.41 8.25 -0.57 -0.43 115.22 118.75 1twh n HIS 299 Ca 0.13 0.09 -0.03 0.00 -0.26 0.00 0.00 57.72 57.65 1twh n HIS 299 Cb 0.69 -1.05 0.19 0.00 1.12 0.00 0.00 29.99 30.93 1twh n HIS 299 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1twh h VAL 300 N 0.02 1.23 0.02 1.59 2.07 -0.67 -2.27 116.25 118.23 1twh h VAL 300 Ca -0.52 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.18 1twh h VAL 300 Cb 1.98 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1twh h VAL 300 CO -0.02 0.31 -0.01 0.00 0.02 0.00 0.00 177.57 177.86 1twh h ALA 301 N 1.34 -0.02 -0.03 1.67 0.00 -1.30 -3.04 119.26 117.87 1twh h ALA 301 Ca 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1twh h ALA 301 Cb 0.29 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1twh h ALA 301 CO -0.00 -0.34 -0.05 1.15 0.00 0.00 0.00 179.25 180.01 1twh h THR 302 N -0.38 1.06 -0.80 0.00 2.02 -0.80 0.35 112.91 114.35 1twh h THR 302 Ca -0.00 -0.26 0.07 0.00 0.77 0.00 0.00 66.41 66.98 1twh h THR 302 Cb 0.36 1.10 -0.06 0.00 -1.74 0.00 0.00 68.15 67.81 1twh h THR 302 CO 0.00 0.08 0.48 0.22 0.37 0.00 0.00 175.52 176.67 1twh h TYR 303 N 0.04 0.88 0.00 3.16 3.20 -1.28 -3.36 116.97 119.61 1twh h TYR 303 Ca 0.01 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 1twh h TYR 303 Cb 0.13 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 1twh h TYR 303 CO 0.00 0.43 -1.57 -1.33 -1.64 0.00 0.00 178.16 174.05 1twh n MET 304 N -4.69 1.55 -1.17 1.82 2.81 -0.18 -2.81 117.12 114.45 1twh n MET 304 Ca 0.12 -0.04 -0.28 0.00 -1.81 0.00 0.00 57.70 55.68 1twh n MET 304 Cb 0.20 -1.24 0.07 0.00 -0.71 0.00 0.00 33.22 31.54 1twh n MET 304 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1twh n ASP 305 N -2.14 7.06 0.00 7.83 9.92 0.10 -3.24 116.55 136.09 1twh n ASP 305 Ca -0.10 -3.53 0.00 0.00 -0.53 0.00 0.00 54.79 50.63 1twh n ASP 305 Cb 0.58 -0.99 0.00 0.00 -0.64 0.00 0.00 41.12 40.06 1twh n ASP 305 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1twh n SER 324 N -0.51 0.00 -0.00 -2.24 2.88 -1.26 -4.45 113.62 108.03 1twh n SER 324 Ca 0.52 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 58.16 1twh n SER 324 Cb 0.69 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 64.02 1twh n SER 324 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1twh n ILE 325 N -1.54 0.00 0.00 2.46 5.41 -1.12 -3.24 119.36 121.32 1twh n ILE 325 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.65 1twh n ILE 325 Cb 0.00 0.80 0.00 0.00 -0.71 0.00 0.00 39.64 39.73 1twh n ILE 325 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1twh n ARG 326 N -1.65 0.00 -3.45 0.38 0.63 -1.20 -5.08 116.66 106.29 1twh n ARG 326 Ca 0.02 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.76 1twh n ARG 326 Cb 0.38 -1.39 -0.11 0.00 0.45 0.00 0.00 32.46 31.78 1twh n ARG 326 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1twh s ALA 327 N 2.03 -0.24 0.00 5.13 0.00 -1.20 -5.14 121.76 122.34 1twh s ALA 327 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1twh s ALA 327 Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1twh s ALA 327 CO 0.00 -1.54 0.00 -0.40 0.00 0.00 0.00 175.76 173.82 1twh n ASP 346 N 5.30 0.00 -0.32 0.00 5.75 -1.26 -5.07 116.55 120.95 1twh n ASP 346 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.74 1twh n ASP 346 Cb 0.47 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 1twh n ASP 346 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1twh n PHE 347 N 0.00 0.00 -4.17 2.11 3.01 -1.26 -4.93 117.46 112.22 1twh n PHE 347 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 1twh n PHE 347 Cb 0.00 -0.95 -0.10 0.00 -0.01 0.00 0.00 39.48 38.42 1twh n PHE 347 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1twh s SER 348 N -2.95 0.20 0.05 4.37 1.04 -1.26 -2.20 113.70 112.95 1twh s SER 348 Ca 0.00 -1.30 -0.18 0.00 0.48 0.00 0.00 55.95 54.95 1twh s SER 348 Cb 0.00 0.36 0.04 0.00 0.10 0.00 0.00 66.02 66.51 1twh s SER 348 CO 0.00 -0.81 0.41 0.00 0.98 0.00 0.00 173.24 173.82 1twh s ALA 349 N -4.11 -0.99 -0.04 5.32 0.00 -1.02 -4.96 121.76 115.96 1twh s ALA 349 Ca 0.33 0.27 -0.02 0.00 0.00 0.00 0.00 51.96 52.54 1twh s ALA 349 Cb 0.07 0.37 0.03 0.00 0.00 0.00 0.00 23.12 23.60 1twh s ALA 349 CO 0.08 -0.47 0.07 0.50 0.00 0.00 0.00 175.76 175.94 1twh s ARG 350 N -2.59 -0.04 0.34 0.00 3.52 -1.26 -1.37 118.95 117.55 1twh s ARG 350 Ca -0.05 0.34 0.06 0.00 -0.13 0.00 0.00 55.73 55.96 1twh s ARG 350 Cb -0.01 -0.38 -0.02 0.00 -1.56 0.00 0.00 34.95 32.98 1twh s ARG 350 CO -0.03 -0.27 0.33 0.25 -0.81 0.00 0.00 175.30 174.77 1twh n THR 351 N 4.88 0.00 -1.66 4.11 -2.24 -1.06 -4.98 114.28 113.34 1twh n THR 351 Ca -0.13 -2.37 -0.41 0.00 -2.27 0.00 0.00 64.05 58.87 1twh n THR 351 Cb 0.50 1.22 0.02 0.00 -2.10 0.00 0.00 70.33 69.97 1twh n THR 351 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1twh n VAL 352 N -0.64 2.72 -4.53 2.28 0.31 -1.26 -2.49 118.33 114.73 1twh n VAL 352 Ca 0.07 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.60 1twh n VAL 352 Cb 0.61 -1.35 -0.12 0.00 -0.91 0.00 0.00 33.84 32.07 1twh n VAL 352 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1twh s ILE 353 N -1.27 2.73 0.14 2.52 -4.36 -0.93 -1.98 121.20 118.06 1twh s ILE 353 Ca 0.64 -1.35 0.01 0.00 -0.26 0.00 0.00 60.65 59.69 1twh s ILE 353 Cb -0.51 -2.19 -0.04 0.00 1.25 0.00 0.00 42.46 40.97 1twh s ILE 353 CO 0.56 0.24 0.00 -0.44 0.24 0.00 0.00 174.94 175.54 1twh s SER 354 N -1.72 0.91 0.49 4.36 0.01 -0.88 -4.66 113.70 112.22 1twh s SER 354 Ca 0.16 -1.15 0.03 0.00 1.31 0.00 0.00 55.95 56.30 1twh s SER 354 Cb -0.10 0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.31 1twh s SER 354 CO 0.07 -0.60 0.70 -0.83 0.41 0.00 0.00 173.24 172.98 1twh s GLY 355 N -3.10 1.80 -0.28 3.44 0.00 -1.26 -2.65 107.32 105.27 1twh s GLY 355 Ca 0.21 -1.37 -0.01 0.00 0.00 0.00 0.00 44.72 43.55 1twh s GLY 355 CO 0.01 -1.14 0.51 -0.35 0.00 0.00 0.00 173.10 172.13 1twh s ASP 356 N -4.36 -0.71 0.00 1.64 -1.08 0.56 -4.82 116.67 107.90 1twh s ASP 356 Ca 0.55 0.49 0.08 0.00 -0.52 0.00 0.00 52.55 53.14 1twh s ASP 356 Cb -0.10 1.71 0.43 0.00 -1.46 0.00 0.00 42.92 43.50 1twh s ASP 356 CO 0.37 -0.29 1.06 -2.65 0.52 0.00 0.00 175.17 174.18 1twh n PRO 357 N 5.40 0.16 -0.31 4.34 -0.02 -1.26 -2.72 135.00 140.59 1twh n PRO 357 Ca -0.01 0.14 0.08 0.00 -2.02 0.00 0.00 63.50 61.69 1twh n PRO 357 Cb 0.51 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.70 1twh n PRO 357 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1twh n ASN 358 N -1.19 3.35 -4.65 2.55 3.02 -1.26 -4.70 115.26 112.38 1twh n ASN 358 Ca 0.05 -2.91 -0.27 0.00 -0.03 0.00 0.00 54.58 51.41 1twh n ASN 358 Cb 0.05 -0.47 -0.08 0.00 -0.61 0.00 0.00 39.78 38.67 1twh n ASN 358 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1twh s LEU 359 N -2.62 3.28 0.98 3.41 1.43 -1.10 -5.10 118.68 118.96 1twh s LEU 359 Ca 0.36 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 1twh s LEU 359 Cb 0.29 -1.97 0.18 0.00 0.03 0.00 0.00 46.19 44.73 1twh s LEU 359 CO 0.08 0.11 1.09 -1.61 0.23 0.00 0.00 176.35 176.24 1twh s GLU 360 N -2.77 0.55 0.29 1.70 0.41 -1.26 -4.73 118.70 112.89 1twh s GLU 360 Ca 0.26 1.04 0.04 0.00 -0.41 0.00 0.00 54.97 55.90 1twh s GLU 360 Cb -0.10 -1.71 0.68 0.00 -1.78 0.00 0.00 34.13 31.22 1twh s GLU 360 CO 0.18 -2.79 1.78 1.25 -0.49 0.00 0.00 175.26 175.19 1twh h LEU 361 N -1.96 0.77 -2.09 1.80 5.85 -1.96 -3.03 115.31 114.70 1twh h LEU 361 Ca -0.51 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1twh h LEU 361 Cb 1.29 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1twh h LEU 361 CO 0.50 0.30 0.00 -0.90 -0.34 0.00 0.00 178.44 178.00 1twh n ASP 362 N -4.76 3.09 -4.96 1.25 3.85 -1.26 -4.75 116.55 109.01 1twh n ASP 362 Ca 0.22 -2.14 -0.19 0.00 -0.71 0.00 0.00 54.79 51.97 1twh n ASP 362 Cb 0.52 -0.41 -0.01 0.00 -1.35 0.00 0.00 41.12 39.87 1twh n ASP 362 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 1twh s GLN 363 N -1.51 2.95 -0.01 0.11 -0.21 -1.15 -0.43 119.66 119.42 1twh s GLN 363 Ca 0.35 -1.14 0.00 0.00 0.02 0.00 0.00 55.36 54.59 1twh s GLN 363 Cb 0.20 -2.72 0.01 0.00 1.00 0.00 0.00 33.01 31.51 1twh s GLN 363 CO 0.21 -0.01 0.01 0.54 -2.12 0.00 0.00 175.29 173.91 1twh s VAL 364 N -2.25 0.01 0.05 1.09 0.11 -0.78 -4.60 120.40 114.03 1twh s VAL 364 Ca 0.46 0.05 -0.22 0.00 -2.93 0.00 0.00 61.98 59.35 1twh s VAL 364 Cb -0.09 -0.06 -0.06 0.00 -1.53 0.00 0.00 36.38 34.65 1twh s VAL 364 CO 0.30 0.04 0.67 -0.83 -3.33 0.00 0.00 175.10 171.95 1twh s GLY 365 N 0.34 2.72 -0.13 6.54 0.00 0.85 -1.07 107.32 116.56 1twh s GLY 365 Ca -0.03 0.15 0.02 0.00 0.00 0.00 0.00 44.72 44.86 1twh s GLY 365 CO -0.01 0.81 -0.17 0.14 0.00 0.00 0.00 173.10 173.87 1twh s VAL 366 N -0.48 1.72 0.72 1.40 1.01 0.71 -1.41 120.40 124.07 1twh s VAL 366 Ca 0.33 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 1twh s VAL 366 Cb -0.20 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1twh s VAL 366 CO 0.21 0.48 0.92 -2.65 0.00 0.00 0.00 175.10 174.06 1twh n PRO 367 N 4.32 0.48 -0.18 2.72 -0.02 -1.26 -0.96 135.00 140.09 1twh n PRO 367 Ca -0.19 0.22 -0.07 0.00 -2.02 0.00 0.00 63.50 61.44 1twh n PRO 367 Cb 0.51 -2.18 0.02 0.00 -0.02 0.00 0.00 33.50 31.83 1twh n PRO 367 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1twh h LYS 368 N -0.28 0.72 0.00 -0.52 3.64 -1.33 0.86 116.57 119.66 1twh h LYS 368 Ca -0.47 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 58.83 1twh h LYS 368 Cb 1.33 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1twh h LYS 368 CO 0.46 0.51 -0.08 0.66 -2.27 0.00 0.00 179.45 178.73 1twh h SER 369 N 0.72 0.00 0.25 4.20 4.64 -1.88 -0.15 113.55 121.34 1twh h SER 369 Ca 0.19 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.23 1twh h SER 369 Cb -0.04 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1twh h SER 369 CO -0.04 0.08 -1.21 0.40 -0.87 0.00 0.00 176.83 175.19 1twh h ILE 370 N 0.00 1.34 -0.30 0.95 2.04 -1.27 -3.00 117.51 117.27 1twh h ILE 370 Ca -0.00 -2.57 -0.05 0.00 1.00 0.00 0.00 64.86 63.24 1twh h ILE 370 Cb 0.16 2.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.93 1twh h ILE 370 CO 0.01 0.77 -0.04 0.00 0.00 0.00 0.00 178.15 178.90 1twh h ALA 371 N 0.41 1.38 0.00 1.87 0.00 0.12 -2.11 119.26 120.93 1twh h ALA 371 Ca -0.17 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1twh h ALA 371 Cb 1.89 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1twh h ALA 371 CO 0.22 0.43 0.00 0.87 0.00 0.00 0.00 179.25 180.77 1twh h LYS 372 N 0.45 0.00 0.02 0.00 1.57 -1.04 -3.26 116.57 114.30 1twh h LYS 372 Ca 0.09 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.64 1twh h LYS 372 Cb 0.35 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.67 1twh h LYS 372 CO 0.01 0.00 -1.00 1.15 -0.57 0.00 0.00 179.45 179.05 1twh h THR 373 N 0.00 1.39 -2.85 -0.16 2.02 -1.24 -3.47 112.91 108.60 1twh h THR 373 Ca 0.00 -2.47 -0.64 0.00 0.77 0.00 0.00 66.41 64.07 1twh h THR 373 Cb 0.67 2.47 -0.06 0.00 -1.74 0.00 0.00 68.15 69.48 1twh h THR 373 CO 0.00 0.74 -0.35 -0.76 0.37 0.00 0.00 175.52 175.52 1twh s LEU 374 N -7.74 4.42 0.07 2.58 1.43 -1.15 -5.08 118.68 113.22 1twh s LEU 374 Ca -0.06 0.69 0.03 0.00 -1.03 0.00 0.00 54.13 53.75 1twh s LEU 374 Cb 0.08 -2.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 1twh s LEU 374 CO 0.88 0.35 -0.09 0.42 0.23 0.00 0.00 176.35 178.14 1twh s THR 375 N -0.95 0.76 -0.05 5.49 -4.23 -1.26 -1.78 115.64 113.61 1twh s THR 375 Ca 0.19 -1.46 0.06 0.00 -1.18 0.00 0.00 61.69 59.30 1twh s THR 375 Cb -0.14 -1.12 -0.01 0.00 1.34 0.00 0.00 72.50 72.57 1twh s THR 375 CO 0.08 -0.52 -0.25 -0.47 -0.54 0.00 0.00 174.62 172.91 1twh s TYR 376 N -2.17 2.43 -0.37 3.99 5.04 -0.96 -4.88 117.35 120.43 1twh s TYR 376 Ca 0.00 -0.69 -0.23 0.00 -2.44 0.00 0.00 57.07 53.72 1twh s TYR 376 Cb -0.05 -1.59 0.01 0.00 0.35 0.00 0.00 41.96 40.69 1twh s TYR 376 CO -0.01 -0.19 0.77 -2.14 -1.34 0.00 0.00 175.55 172.64 1twh s PRO 377 N -0.22 3.73 -0.07 4.97 0.02 -1.26 -2.15 135.00 140.02 1twh s PRO 377 Ca -0.02 0.27 0.05 0.00 0.02 0.00 0.00 61.00 61.33 1twh s PRO 377 Cb -0.13 -3.81 -0.01 0.00 0.02 0.00 0.00 34.50 30.56 1twh s PRO 377 CO 0.03 -0.85 -0.23 -2.00 -0.33 0.00 0.00 177.00 173.63 1twh s GLU 378 N 3.06 2.68 0.13 5.54 2.12 0.29 -4.91 118.70 127.61 1twh s GLU 378 Ca 0.31 -0.87 -0.20 0.00 0.36 0.00 0.00 54.97 54.56 1twh s GLU 378 Cb -0.13 -2.24 -0.07 0.00 0.26 0.00 0.00 34.13 31.95 1twh s GLU 378 CO 0.17 0.36 0.65 0.08 -0.54 0.00 0.00 175.26 175.98 1twh s VAL 379 N -0.11 4.62 0.12 3.70 1.01 -1.26 -1.04 120.40 127.44 1twh s VAL 379 Ca -0.05 1.32 -0.30 0.00 0.00 0.00 0.00 61.98 62.95 1twh s VAL 379 Cb -0.14 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.23 1twh s VAL 379 CO 0.04 0.46 1.22 -0.69 0.00 0.00 0.00 175.10 176.13 1twh s VAL 380 N -1.22 3.76 0.19 2.92 1.01 0.40 -4.89 120.40 122.58 1twh s VAL 380 Ca 0.34 1.34 -0.03 0.00 0.00 0.00 0.00 61.98 63.64 1twh s VAL 380 Cb -0.20 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1twh s VAL 380 CO 0.21 0.15 0.17 0.42 0.00 0.00 0.00 175.10 176.05 1twh s THR 381 N 0.62 0.02 -1.20 3.92 -4.23 -1.26 -0.01 115.64 113.50 1twh s THR 381 Ca 0.57 -1.89 0.23 0.00 -1.18 0.00 0.00 61.69 59.42 1twh s THR 381 Cb -0.32 -2.37 0.29 0.00 1.34 0.00 0.00 72.50 71.44 1twh s THR 381 CO 0.32 -0.08 1.73 -0.81 -0.54 0.00 0.00 174.62 175.24 1twh n PRO 382 N -0.25 0.16 0.15 3.99 -0.04 -1.26 -2.20 135.00 135.54 1twh n PRO 382 Ca 0.00 0.10 0.02 0.00 -0.04 0.00 0.00 63.50 63.57 1twh n PRO 382 Cb 0.65 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.79 1twh n PRO 382 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1twh h TYR 383 N 0.00 0.00 0.00 0.54 -1.99 -1.97 -3.37 116.97 110.17 1twh h TYR 383 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1twh h TYR 383 Cb 0.30 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.03 1twh h TYR 383 CO 0.00 0.54 -0.05 0.27 -0.00 0.00 0.00 178.16 178.92 1twh n ASN 384 N -3.52 1.63 0.13 3.88 0.23 -0.93 -4.76 115.26 111.93 1twh n ASN 384 Ca -0.00 -2.23 0.01 0.00 -0.53 0.00 0.00 54.58 51.84 1twh n ASN 384 Cb 0.64 -0.16 0.04 0.00 -2.08 0.00 0.00 39.78 38.21 1twh n ASN 384 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1twh h ILE 385 N 1.17 0.98 0.18 1.53 2.10 -1.67 0.25 117.51 122.05 1twh h ILE 385 Ca 0.00 -2.32 -0.01 0.00 1.08 0.00 0.00 64.86 63.61 1twh h ILE 385 Cb 0.83 2.44 0.00 0.00 -1.09 0.00 0.00 36.82 39.00 1twh h ILE 385 CO 0.00 0.55 -0.09 0.44 -1.08 0.00 0.00 178.15 177.97 1twh h ASP 386 N 0.00 -0.20 -0.88 2.19 3.32 -1.87 -2.63 116.42 116.35 1twh h ASP 386 Ca -0.01 -0.22 0.15 0.00 0.02 0.00 0.00 57.03 56.97 1twh h ASP 386 Cb 1.39 0.05 -0.16 0.00 0.22 0.00 0.00 39.33 40.84 1twh h ASP 386 CO 0.07 0.34 -0.32 -0.09 -1.72 0.00 0.00 179.24 177.53 1twh h ARG 387 N -0.99 -0.03 -0.77 3.56 2.43 -1.88 -2.55 114.38 114.15 1twh h ARG 387 Ca -0.02 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1twh h ARG 387 Cb 0.42 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 1twh h ARG 387 CO 0.04 -0.02 0.51 -0.07 -1.51 0.00 0.00 179.97 178.92 1twh h LEU 388 N -0.03 0.89 0.18 3.80 3.38 -0.51 0.81 115.31 123.84 1twh h LEU 388 Ca 0.36 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.32 1twh h LEU 388 Cb 0.61 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1twh h LEU 388 CO -0.91 0.64 -0.43 0.74 0.09 0.00 0.00 178.44 178.58 1twh h THR 389 N 1.05 0.14 -0.87 0.22 2.02 -1.32 0.46 112.91 114.61 1twh h THR 389 Ca 0.28 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.52 1twh h THR 389 Cb -0.12 0.14 -0.06 0.00 -1.74 0.00 0.00 68.15 66.38 1twh h THR 389 CO -0.06 0.00 0.57 -0.61 0.37 0.00 0.00 175.52 175.78 1twh h GLN 390 N -0.71 0.96 -0.31 6.66 5.75 -0.79 -1.56 115.11 125.11 1twh h GLN 390 Ca 0.01 -0.06 -0.17 0.00 -0.15 0.00 0.00 58.65 58.28 1twh h GLN 390 Cb 0.70 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 29.04 1twh h GLN 390 CO -0.21 0.63 -0.48 -0.07 -2.65 0.00 0.00 178.83 176.06 1twh h LEU 391 N 0.99 0.92 -1.86 -2.39 3.38 0.17 0.39 115.31 116.91 1twh h LEU 391 Ca 0.37 -0.46 0.13 0.00 0.09 0.00 0.00 57.88 58.01 1twh h LEU 391 Cb 0.19 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1twh h LEU 391 CO -0.13 1.24 0.38 0.58 0.09 0.00 0.00 178.44 180.60 1twh h VAL 392 N 0.67 0.79 -0.13 1.22 2.07 0.80 -2.11 116.25 119.56 1twh h VAL 392 Ca 0.03 -0.05 -0.19 0.00 0.82 0.00 0.00 66.70 67.31 1twh h VAL 392 Cb 1.07 0.63 0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1twh h VAL 392 CO 0.11 0.03 -0.66 0.03 0.02 0.00 0.00 177.57 177.10 1twh h ARG 393 N 0.15 0.67 0.00 1.57 3.08 -0.31 -2.55 114.38 116.99 1twh h ARG 393 Ca 0.26 -0.55 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 1twh h ARG 393 Cb 0.82 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.99 1twh h ARG 393 CO -0.04 1.17 -0.04 -0.91 -1.07 0.00 0.00 179.97 179.08 1twh h ASN 394 N 0.34 0.00 -2.44 7.04 2.35 -0.35 -3.49 115.58 119.04 1twh h ASN 394 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1twh h ASN 394 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 1twh h ASN 394 CO 0.14 0.04 0.00 0.61 -1.65 0.00 0.00 177.43 176.56 1twh n GLY 395 N 0.30 -1.85 0.16 2.83 0.00 -0.92 -3.62 105.19 102.10 1twh n GLY 395 Ca 0.01 -1.46 0.13 0.00 0.00 0.00 0.00 46.02 44.71 1twh n GLY 395 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1twh h PRO 396 N 0.00 0.00 -0.01 1.61 0.11 -1.69 -1.93 132.00 130.09 1twh h PRO 396 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1twh h PRO 396 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1twh h PRO 396 CO 0.00 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.88 1twh n ASN 397 N -2.56 1.39 -4.48 -2.05 5.03 -1.26 -4.85 115.26 106.47 1twh n ASN 397 Ca 0.04 -1.23 -0.34 0.00 0.87 0.00 0.00 54.58 53.92 1twh n ASN 397 Cb 0.40 -0.01 -0.12 0.00 -1.02 0.00 0.00 39.78 39.03 1twh n ASN 397 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1twh s GLU 398 N -0.36 3.67 0.17 3.52 2.12 -1.24 -5.11 118.70 121.47 1twh s GLU 398 Ca 0.04 -0.51 -0.09 0.00 0.36 0.00 0.00 54.97 54.78 1twh s GLU 398 Cb 0.03 -3.02 -0.06 0.00 0.26 0.00 0.00 34.13 31.34 1twh s GLU 398 CO 0.05 0.14 0.47 -1.58 -0.54 0.00 0.00 175.26 173.79 1twh s HIS 399 N 0.66 3.49 -0.53 5.30 5.65 -1.26 -2.24 115.29 126.36 1twh s HIS 399 Ca -0.01 0.78 -0.25 0.00 0.25 0.00 0.00 55.06 55.83 1twh s HIS 399 Cb -0.14 -2.17 -0.14 0.00 -1.18 0.00 0.00 32.58 28.95 1twh s HIS 399 CO 0.02 0.38 1.66 -0.35 -0.65 0.00 0.00 174.74 175.81 1twh n PRO 400 N 0.22 0.00 0.00 2.88 -0.04 -1.26 -5.16 135.00 131.63 1twh n PRO 400 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1twh n PRO 400 Cb 0.52 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 1twh n PRO 400 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1twh n GLY 401 N 4.70 5.51 3.30 0.55 0.00 -0.95 -4.71 105.19 113.60 1twh n GLY 401 Ca 0.41 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.23 1twh n GLY 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1twh s ALA 402 N -2.00 -0.88 0.00 4.61 0.00 -0.72 -0.28 121.76 122.49 1twh s ALA 402 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1twh s ALA 402 Cb 0.00 0.48 0.00 0.00 0.00 0.00 0.00 23.12 23.60 1twh s ALA 402 CO 0.00 -0.52 0.00 1.63 0.00 0.00 0.00 175.76 176.87 1twh n LYS 403 N 0.20 3.07 -4.08 0.00 5.02 0.12 -1.98 118.16 120.50 1twh n LYS 403 Ca -0.17 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.02 1twh n LYS 403 Cb 0.61 -0.97 -0.10 0.00 -0.02 0.00 0.00 35.03 34.55 1twh n LYS 403 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1twh s TYR 404 N -1.94 0.60 -0.00 2.13 1.51 -1.19 -1.50 117.35 116.95 1twh s TYR 404 Ca 0.00 -0.81 0.08 0.00 -1.01 0.00 0.00 57.07 55.33 1twh s TYR 404 Cb 0.00 -0.39 -0.02 0.00 -0.11 0.00 0.00 41.96 41.44 1twh s TYR 404 CO 0.00 -0.22 -0.26 0.08 -1.11 0.00 0.00 175.55 174.04 1twh s VAL 405 N -2.86 2.04 -0.07 0.71 1.01 -0.56 -2.34 120.40 118.33 1twh s VAL 405 Ca 0.00 -1.17 0.03 0.00 0.00 0.00 0.00 61.98 60.85 1twh s VAL 405 Cb 0.00 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.68 1twh s VAL 405 CO -0.05 0.52 -0.17 -0.63 0.00 0.00 0.00 175.10 174.77 1twh s ILE 406 N -0.65 1.47 0.27 2.22 1.01 0.15 0.10 121.20 125.77 1twh s ILE 406 Ca 0.10 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.09 1twh s ILE 406 Cb -0.10 -1.30 0.03 0.00 0.01 0.00 0.00 42.46 41.09 1twh s ILE 406 CO -0.00 0.43 0.22 0.54 0.00 0.00 0.00 174.94 176.12 1twh n ARG 407 N 3.63 1.07 -0.10 2.79 1.74 -0.81 -0.24 116.66 124.75 1twh n ARG 407 Ca -0.21 -1.65 0.01 0.00 -0.77 0.00 0.00 57.85 55.23 1twh n ARG 407 Cb 0.52 0.15 0.03 0.00 -1.02 0.00 0.00 32.46 32.14 1twh n ARG 407 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1twh n ASP 408 N -1.99 -0.12 0.00 0.55 10.43 -1.26 -0.25 116.55 123.90 1twh n ASP 408 Ca -0.00 0.45 0.07 0.00 2.57 0.00 0.00 54.79 57.88 1twh n ASP 408 Cb 0.30 -0.12 0.33 0.00 1.84 0.00 0.00 41.12 43.47 1twh n ASP 408 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1twh n SER 409 N -4.41 0.00 0.00 -2.24 3.41 -1.26 -4.84 113.62 104.28 1twh n SER 409 Ca 0.04 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1twh n SER 409 Cb 0.12 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 1twh n SER 409 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1twh n GLY 410 N 0.03 1.71 3.74 5.00 0.00 0.66 -5.04 105.19 111.29 1twh n GLY 410 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1twh n GLY 410 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1twh n ASP 411 N 0.00 3.71 -4.42 1.61 8.00 -1.26 -4.77 116.55 119.43 1twh n ASP 411 Ca 0.00 1.16 -0.40 0.00 0.71 0.00 0.00 54.79 56.25 1twh n ASP 411 Cb 0.00 -1.58 -0.11 0.00 -0.02 0.00 0.00 41.12 39.41 1twh n ASP 411 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1twh s ARG 412 N -0.69 3.05 -0.18 -1.24 0.52 -1.26 -1.93 118.95 117.22 1twh s ARG 412 Ca 0.63 -0.93 -0.21 0.00 -0.52 0.00 0.00 55.73 54.70 1twh s ARG 412 Cb -0.51 -3.72 -0.03 0.00 0.52 0.00 0.00 34.95 31.22 1twh s ARG 412 CO 0.51 -0.60 0.63 0.42 0.02 0.00 0.00 175.30 176.28 1twh s ILE 413 N 1.60 5.03 -0.30 1.52 -1.09 0.28 -4.91 121.20 123.33 1twh s ILE 413 Ca 0.03 1.21 -0.11 0.00 -2.23 0.00 0.00 60.65 59.55 1twh s ILE 413 Cb -0.18 -3.95 -0.03 0.00 -1.58 0.00 0.00 42.46 36.71 1twh s ILE 413 CO 0.07 0.14 0.20 -0.62 -1.23 0.00 0.00 174.94 173.50 1twh s ASP 414 N 1.11 5.97 0.00 3.58 -1.08 -1.26 -1.50 116.67 123.49 1twh s ASP 414 Ca 0.30 -0.20 0.11 0.00 -0.52 0.00 0.00 52.55 52.24 1twh s ASP 414 Cb -0.16 -2.11 0.57 0.00 -1.46 0.00 0.00 42.92 39.76 1twh s ASP 414 CO 0.11 -0.13 1.25 0.18 0.52 0.00 0.00 175.17 177.10 1twh n LEU 415 N 5.07 0.00 -0.05 -1.34 4.77 -0.56 -2.58 117.00 122.30 1twh n LEU 415 Ca -0.14 0.27 -0.01 0.00 -0.03 0.00 0.00 56.01 56.11 1twh n LEU 415 Cb 0.51 -0.27 -0.14 0.00 -2.33 0.00 0.00 43.42 41.19 1twh n LEU 415 CO 0.34 -0.17 -0.91 -2.11 -1.33 0.00 0.00 177.39 173.21 1twh n ARG 416 N -1.27 0.95 0.00 3.23 1.85 -1.26 -4.73 116.66 115.43 1twh n ARG 416 Ca 0.05 -0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 1twh n ARG 416 Cb 0.09 -1.43 0.00 0.00 -1.05 0.00 0.00 32.46 30.06 1twh n ARG 416 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1twh n TYR 417 N -2.42 0.00 -1.76 2.89 0.53 -1.06 -5.01 117.16 110.32 1twh n TYR 417 Ca -0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.71 1twh n TYR 417 Cb 0.81 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 39.12 1twh n TYR 417 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 1twh n SER 418 N -1.27 -3.40 0.21 7.72 2.88 -1.21 -4.68 113.62 113.86 1twh n SER 418 Ca 0.00 0.27 0.14 0.00 -1.33 0.00 0.00 58.87 57.95 1twh n SER 418 Cb 0.00 -0.78 0.74 0.00 -0.75 0.00 0.00 64.21 63.42 1twh n SER 418 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1twh h LYS 419 N 2.60 0.00 -0.33 -1.46 2.10 -1.95 0.67 116.57 118.20 1twh h LYS 419 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.55 1twh h LYS 419 Cb 0.37 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.64 1twh h LYS 419 CO 0.00 0.00 -0.00 0.54 -2.00 0.00 0.00 179.45 177.99 1twh n ARG 420 N -2.50 2.39 -0.06 0.07 1.74 -1.26 -4.59 116.66 112.45 1twh n ARG 420 Ca -0.01 -3.00 0.03 0.00 -0.77 0.00 0.00 57.85 54.09 1twh n ARG 420 Cb 0.08 -1.85 0.36 0.00 -1.02 0.00 0.00 32.46 30.04 1twh n ARG 420 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1twh h ALA 421 N 1.39 1.61 -0.05 7.54 0.00 0.08 -2.10 119.26 127.73 1twh h ALA 421 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1twh h ALA 421 Cb 1.61 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1twh h ALA 421 CO 0.34 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.35 1twh n GLY 422 N -1.40 -0.38 2.22 0.00 0.00 -1.26 -4.46 105.19 99.91 1twh n GLY 422 Ca 0.04 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 1twh n GLY 422 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1twh n ASP 423 N -0.27 0.75 -4.62 1.61 2.03 -0.79 -5.06 116.55 110.21 1twh n ASP 423 Ca 0.18 -2.93 -0.36 0.00 0.52 0.00 0.00 54.79 52.20 1twh n ASP 423 Cb 0.22 -0.63 -0.10 0.00 -0.72 0.00 0.00 41.12 39.89 1twh n ASP 423 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1twh s ILE 424 N -2.06 5.10 -0.29 5.18 1.01 -1.26 -4.99 121.20 123.89 1twh s ILE 424 Ca 0.39 0.09 -0.09 0.00 0.00 0.00 0.00 60.65 61.03 1twh s ILE 424 Cb 0.28 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.37 1twh s ILE 424 CO -0.09 0.36 0.13 -1.10 0.00 0.00 0.00 174.94 174.25 1twh s GLN 425 N 1.02 3.47 0.38 2.79 -0.21 -1.26 -5.04 119.66 120.82 1twh s GLN 425 Ca 0.06 -0.62 -0.19 0.00 0.02 0.00 0.00 55.36 54.63 1twh s GLN 425 Cb -0.14 -3.51 -0.10 0.00 1.00 0.00 0.00 33.01 30.26 1twh s GLN 425 CO 0.04 -0.34 0.87 -0.51 -2.12 0.00 0.00 175.29 173.23 1twh s LEU 426 N 1.63 4.02 -0.06 2.90 1.43 -1.26 -5.02 118.68 122.31 1twh s LEU 426 Ca 0.05 1.54 -0.08 0.00 -1.03 0.00 0.00 54.13 54.61 1twh s LEU 426 Cb -0.16 -4.32 -0.05 0.00 0.03 0.00 0.00 46.19 41.69 1twh s LEU 426 CO 0.06 -0.28 0.23 -1.10 0.23 0.00 0.00 176.35 175.49 1twh s GLN 427 N -3.01 3.57 -0.06 1.70 -1.52 -1.26 -5.08 119.66 113.99 1twh s GLN 427 Ca 0.58 -0.01 -0.33 0.00 -1.95 0.00 0.00 55.36 53.64 1twh s GLN 427 Cb -0.10 -3.17 -0.16 0.00 -0.22 0.00 0.00 33.01 29.36 1twh s GLN 427 CO 0.15 0.73 0.93 0.66 -0.25 0.00 0.00 175.29 177.51 1twh n TYR 428 N 1.71 0.66 -0.29 0.91 0.53 -1.26 -2.00 117.16 117.43 1twh n TYR 428 Ca -0.16 0.87 0.00 0.00 -1.02 0.00 0.00 57.90 57.58 1twh n TYR 428 Cb 0.54 -1.70 0.00 0.00 -1.03 0.00 0.00 39.34 37.15 1twh n TYR 428 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1twh n GLY 429 N 1.52 1.64 3.81 2.72 0.00 0.99 -4.92 105.19 110.95 1twh n GLY 429 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1twh n GLY 429 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1twh s TRP 430 N -3.00 2.94 -0.12 1.61 0.52 -0.84 -4.70 118.94 115.35 1twh s TRP 430 Ca 0.00 1.25 -0.02 0.00 0.02 0.00 0.00 56.10 57.35 1twh s TRP 430 Cb 0.00 -3.03 -0.03 0.00 -1.15 0.00 0.00 33.47 29.26 1twh s TRP 430 CO 0.00 -1.56 -0.04 0.15 0.02 0.00 0.00 176.95 175.52 1twh s LYS 431 N -5.12 3.30 -0.24 4.98 1.02 0.67 0.15 119.74 124.50 1twh s LYS 431 Ca 0.60 -0.52 -0.06 0.00 0.02 0.00 0.00 55.97 56.01 1twh s LYS 431 Cb -0.14 -2.79 -0.02 0.00 -0.52 0.00 0.00 37.83 34.35 1twh s LYS 431 CO 0.54 0.43 0.04 0.08 -0.92 0.00 0.00 175.35 175.52 1twh s VAL 432 N -0.16 4.03 -0.71 3.17 1.01 -0.20 0.31 120.40 127.84 1twh s VAL 432 Ca 0.03 -0.30 -0.26 0.00 0.00 0.00 0.00 61.98 61.45 1twh s VAL 432 Cb -0.13 -2.89 0.04 0.00 0.00 0.00 0.00 36.38 33.41 1twh s VAL 432 CO 0.03 0.34 1.18 -1.61 0.00 0.00 0.00 175.10 175.04 1twh s GLU 433 N 1.57 3.18 0.30 2.72 2.02 -0.99 -0.55 118.70 126.95 1twh s GLU 433 Ca 0.06 -0.40 -0.01 0.00 0.02 0.00 0.00 54.97 54.63 1twh s GLU 433 Cb -0.15 -4.19 -0.04 0.00 0.10 0.00 0.00 34.13 29.85 1twh s GLU 433 CO 0.02 -2.03 0.52 -0.98 0.02 0.00 0.00 175.26 172.81 1twh s ARG 434 N 5.20 3.54 0.93 1.61 1.70 -0.91 0.10 118.95 131.11 1twh s ARG 434 Ca 0.31 -0.23 -0.12 0.00 -0.47 0.00 0.00 55.73 55.23 1twh s ARG 434 Cb -0.11 -2.69 0.15 0.00 -0.57 0.00 0.00 34.95 31.73 1twh s ARG 434 CO 0.14 0.21 1.09 -1.01 -1.08 0.00 0.00 175.30 174.65 1twh s HIS 435 N -2.17 2.22 0.65 5.89 3.76 0.62 -2.26 115.29 124.01 1twh s HIS 435 Ca 0.41 1.21 -0.11 0.00 -0.15 0.00 0.00 55.06 56.42 1twh s HIS 435 Cb -0.10 -3.18 -0.02 0.00 1.11 0.00 0.00 32.58 30.39 1twh s HIS 435 CO 0.33 -2.56 1.05 0.96 -0.85 0.00 0.00 174.74 173.67 1twh s ILE 436 N -2.92 4.29 0.21 0.60 -4.36 -0.73 -4.71 121.20 113.57 1twh s ILE 436 Ca 0.64 0.77 -0.14 0.00 -0.26 0.00 0.00 60.65 61.67 1twh s ILE 436 Cb -0.18 -3.58 0.01 0.00 1.25 0.00 0.00 42.46 39.95 1twh s ILE 436 CO 0.57 -0.94 0.45 -0.04 0.24 0.00 0.00 174.94 175.22 1twh s MET 437 N -5.00 1.39 0.15 0.37 -1.94 -1.26 -4.84 119.30 108.16 1twh s MET 437 Ca 0.57 -1.08 -0.33 0.00 -1.71 0.00 0.00 55.69 53.14 1twh s MET 437 Cb -0.13 0.47 -0.13 0.00 2.01 0.00 0.00 34.83 37.05 1twh s MET 437 CO 0.53 -0.57 1.64 -0.25 -0.01 0.00 0.00 175.02 176.35 1twh n ASP 438 N -0.32 3.32 0.00 3.03 9.92 -1.26 -2.21 116.55 129.03 1twh n ASP 438 Ca -0.06 1.07 0.00 0.00 -0.53 0.00 0.00 54.79 55.27 1twh n ASP 438 Cb 0.62 -1.46 0.00 0.00 -0.64 0.00 0.00 41.12 39.65 1twh n ASP 438 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1twh n ASN 439 N 3.82 -1.56 -4.77 -2.24 3.02 -0.70 -4.90 115.26 107.93 1twh n ASN 439 Ca 0.17 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.33 1twh n ASN 439 Cb 0.30 -0.26 -0.01 0.00 -0.61 0.00 0.00 39.78 39.20 1twh n ASN 439 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1twh s ASP 440 N -2.39 6.47 0.08 6.41 1.01 -0.94 -4.61 116.67 122.71 1twh s ASP 440 Ca 0.00 2.53 -0.30 0.00 0.71 0.00 0.00 52.55 55.49 1twh s ASP 440 Cb 0.00 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.24 1twh s ASP 440 CO 0.00 -0.73 1.19 -2.16 0.21 0.00 0.00 175.17 173.69 1twh s PRO 441 N -2.17 4.45 0.15 8.23 0.04 -1.26 -2.04 135.00 142.39 1twh s PRO 441 Ca 0.56 1.78 -0.03 0.00 0.04 0.00 0.00 61.00 63.34 1twh s PRO 441 Cb -0.35 -3.33 -0.03 0.00 0.04 0.00 0.00 34.50 30.82 1twh s PRO 441 CO 0.45 -0.22 0.13 0.14 0.04 0.00 0.00 177.00 177.55 1twh s VAL 442 N 0.86 0.08 -0.01 -0.36 -7.23 0.19 -4.49 120.40 109.44 1twh s VAL 442 Ca 0.57 -1.76 0.04 0.00 -1.81 0.00 0.00 61.98 59.03 1twh s VAL 442 Cb -0.30 -2.03 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 1twh s VAL 442 CO 0.30 -0.37 -0.12 -0.22 -0.31 0.00 0.00 175.10 174.38 1twh s LEU 443 N -3.03 2.87 0.02 1.32 2.96 -0.66 -0.56 118.68 121.60 1twh s LEU 443 Ca 0.23 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 1twh s LEU 443 Cb 0.06 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 1twh s LEU 443 CO 0.02 0.30 -0.04 0.12 -1.32 0.00 0.00 176.35 175.43 1twh s PHE 444 N -0.88 0.34 -0.21 5.38 5.36 -0.26 -1.41 117.98 126.31 1twh s PHE 444 Ca 0.14 -0.39 -0.13 0.00 -0.96 0.00 0.00 56.93 55.59 1twh s PHE 444 Cb -0.11 -0.22 0.06 0.00 -0.34 0.00 0.00 43.02 42.41 1twh s PHE 444 CO 0.04 -0.11 0.51 1.21 -1.46 0.00 0.00 175.22 175.41 1twh s ASN 445 N -1.13 -0.64 -0.25 6.13 3.04 -0.97 -2.37 114.94 118.75 1twh s ASN 445 Ca -0.10 1.10 -0.11 0.00 0.04 0.00 0.00 52.86 53.79 1twh s ASN 445 Cb -0.08 1.00 -0.05 0.00 -1.54 0.00 0.00 41.25 40.58 1twh s ASN 445 CO -0.00 -0.20 0.17 -0.60 -3.04 0.00 0.00 177.10 173.42 1twh s ARG 446 N 1.25 4.02 0.39 0.43 6.06 -1.18 -1.83 118.95 128.08 1twh s ARG 446 Ca -0.08 -0.29 -0.16 0.00 -2.50 0.00 0.00 55.73 52.70 1twh s ARG 446 Cb -0.07 -3.57 -0.09 0.00 0.06 0.00 0.00 34.95 31.28 1twh s ARG 446 CO -0.12 -0.02 0.83 -0.65 -2.50 0.00 0.00 175.30 172.84 1twh s GLN 447 N 1.29 4.02 0.17 5.12 -0.21 -1.26 -3.96 119.66 124.83 1twh s GLN 447 Ca 0.07 0.79 -0.30 0.00 0.02 0.00 0.00 55.36 55.95 1twh s GLN 447 Cb -0.14 -2.32 -0.07 0.00 1.00 0.00 0.00 33.01 31.47 1twh s GLN 447 CO 0.07 0.03 1.04 -1.25 -2.12 0.00 0.00 175.29 173.06 1twh s PRO 448 N -3.29 4.65 -1.16 2.91 0.04 -1.26 -5.07 135.00 131.83 1twh s PRO 448 Ca 0.56 1.63 -0.14 0.00 0.04 0.00 0.00 61.00 63.09 1twh s PRO 448 Cb -0.10 -3.30 0.18 0.00 0.04 0.00 0.00 34.50 31.32 1twh s PRO 448 CO 0.20 0.17 1.35 -1.12 0.04 0.00 0.00 177.00 177.64 1twh s SER 449 N -0.25 7.05 0.00 6.66 0.01 -1.25 -4.89 113.70 121.03 1twh s SER 449 Ca 0.47 -2.96 0.26 0.00 1.31 0.00 0.00 55.95 55.03 1twh s SER 449 Cb -0.28 -2.37 0.70 0.00 0.21 0.00 0.00 66.02 64.28 1twh s SER 449 CO 0.34 -0.72 1.53 0.18 0.41 0.00 0.00 173.24 174.98 1twh n LEU 450 N 5.34 0.78 -4.04 2.44 4.77 -1.26 -4.87 117.00 120.16 1twh n LEU 450 Ca 0.33 -0.14 -0.13 0.00 -0.03 0.00 0.00 56.01 56.05 1twh n LEU 450 Cb 0.43 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.30 1twh n LEU 450 CO 0.58 0.16 0.18 -1.38 -1.33 0.00 0.00 177.39 175.60 1twh s HIS 451 N -2.69 0.80 -0.58 -1.77 -3.43 -1.26 -4.25 115.29 102.11 1twh s HIS 451 Ca 0.19 -1.11 0.23 0.00 -0.80 0.00 0.00 55.06 53.57 1twh s HIS 451 Cb 0.19 0.06 0.92 0.00 -1.43 0.00 0.00 32.58 32.32 1twh s HIS 451 CO 0.58 -1.13 1.70 0.36 -2.00 0.00 0.00 174.74 174.25 1twh n LYS 452 N -0.51 0.18 -0.24 -0.38 2.85 -1.26 -0.69 118.16 118.11 1twh n LYS 452 Ca -0.01 0.36 0.04 0.00 -1.05 0.00 0.00 58.31 57.66 1twh n LYS 452 Cb 0.62 -1.81 0.15 0.00 -0.65 0.00 0.00 35.03 33.34 1twh n LYS 452 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1twh n MET 453 N -2.14 2.05 0.00 -1.58 2.81 -1.26 -1.88 117.12 115.11 1twh n MET 453 Ca 0.03 -1.23 0.12 0.00 -1.81 0.00 0.00 57.70 54.81 1twh n MET 453 Cb 0.25 -1.43 0.26 0.00 -0.71 0.00 0.00 33.22 31.59 1twh n MET 453 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1twh n SER 454 N 0.39 0.49 -3.81 7.83 7.64 0.13 -4.38 113.62 121.91 1twh n SER 454 Ca 0.11 -0.22 -0.30 0.00 1.01 0.00 0.00 58.87 59.47 1twh n SER 454 Cb 0.40 0.23 -0.14 0.00 -1.01 0.00 0.00 64.21 63.69 1twh n SER 454 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1twh s MET 455 N -3.00 1.30 0.39 1.43 0.00 -0.79 -3.11 119.30 115.52 1twh s MET 455 Ca 0.11 -1.87 0.08 0.00 0.00 0.00 0.00 55.69 54.01 1twh s MET 455 Cb 0.17 -2.57 -0.07 0.00 0.00 0.00 0.00 34.83 32.36 1twh s MET 455 CO 0.70 -1.07 -0.02 -1.64 0.00 0.00 0.00 175.02 172.98 1twh s MET 456 N 0.64 1.92 -0.11 4.11 1.00 -1.00 -4.87 119.30 120.98 1twh s MET 456 Ca 0.14 -2.05 -0.01 0.00 0.00 0.00 0.00 55.69 53.77 1twh s MET 456 Cb -0.22 -1.67 -0.03 0.00 0.00 0.00 0.00 34.83 32.92 1twh s MET 456 CO -0.07 0.01 -0.06 0.00 0.00 0.00 0.00 175.02 174.90 1twh s ALA 457 N -2.68 2.94 0.21 3.03 0.00 -0.29 -1.10 121.76 123.88 1twh s ALA 457 Ca 0.34 -0.86 0.11 0.00 0.00 0.00 0.00 51.96 51.55 1twh s ALA 457 Cb 0.08 -1.37 -0.05 0.00 0.00 0.00 0.00 23.12 21.78 1twh s ALA 457 CO 0.18 0.38 -0.21 -1.01 0.00 0.00 0.00 175.76 175.09 1twh s HIS 458 N -0.15 2.14 -0.14 0.00 3.76 0.28 -2.58 115.29 118.61 1twh s HIS 458 Ca 0.02 -0.39 -0.20 0.00 -0.15 0.00 0.00 55.06 54.34 1twh s HIS 458 Cb -0.13 -1.02 -0.03 0.00 1.11 0.00 0.00 32.58 32.50 1twh s HIS 458 CO 0.03 0.51 0.58 1.03 -0.85 0.00 0.00 174.74 176.03 1twh s ARG 459 N -2.98 4.31 0.58 1.40 0.52 0.43 -0.64 118.95 122.57 1twh s ARG 459 Ca 0.22 0.59 -0.19 0.00 -0.52 0.00 0.00 55.73 55.83 1twh s ARG 459 Cb -0.06 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 31.87 1twh s ARG 459 CO 0.10 -0.01 1.17 0.08 0.02 0.00 0.00 175.30 176.67 1twh s VAL 460 N 1.13 2.85 -0.15 3.52 1.01 -0.87 -1.86 120.40 126.03 1twh s VAL 460 Ca 0.29 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.79 1twh s VAL 460 Cb -0.16 -3.20 0.04 0.00 0.00 0.00 0.00 36.38 33.05 1twh s VAL 460 CO 0.12 -0.12 -0.06 -0.75 0.00 0.00 0.00 175.10 174.29 1twh s LYS 461 N -3.34 1.43 -0.07 2.72 2.36 -0.23 -1.73 119.74 120.89 1twh s LYS 461 Ca 0.75 -0.42 -0.30 0.00 -2.55 0.00 0.00 55.97 53.45 1twh s LYS 461 Cb -0.28 -1.86 -0.03 0.00 -1.05 0.00 0.00 37.83 34.61 1twh s LYS 461 CO 0.31 -0.38 1.21 0.08 1.55 0.00 0.00 175.35 178.12 1twh s VAL 462 N 1.67 4.25 0.22 4.02 1.01 -1.26 -0.20 120.40 130.11 1twh s VAL 462 Ca 0.02 1.57 0.01 0.00 0.00 0.00 0.00 61.98 63.58 1twh s VAL 462 Cb -0.14 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 1twh s VAL 462 CO -0.08 -0.02 0.07 0.27 0.00 0.00 0.00 175.10 175.34 1twh s ILE 463 N 2.37 0.54 0.00 2.22 -4.36 -0.13 -4.91 121.20 116.92 1twh s ILE 463 Ca 0.56 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 1twh s ILE 463 Cb -0.24 -2.45 0.00 0.00 1.25 0.00 0.00 42.46 41.02 1twh s ILE 463 CO 0.21 -0.16 0.00 -0.81 0.24 0.00 0.00 174.94 174.42 1twh n PRO 464 N -0.37 0.00 0.00 0.37 -0.04 -1.26 -1.17 135.00 132.53 1twh n PRO 464 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1twh n PRO 464 Cb 0.65 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.11 1twh n PRO 464 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1twh n TYR 465 N 0.00 0.00 0.47 0.54 4.02 -1.26 -4.30 117.16 116.63 1twh n TYR 465 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.97 1twh n TYR 465 Cb 0.00 0.00 0.22 0.00 -0.02 0.00 0.00 39.34 39.54 1twh n TYR 465 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1twh n SER 466 N 0.00 2.60 -4.70 7.72 7.64 -1.26 -4.59 113.62 121.03 1twh n SER 466 Ca 0.00 -1.99 -0.23 0.00 1.01 0.00 0.00 58.87 57.66 1twh n SER 466 Cb 0.00 -0.32 -0.06 0.00 -1.01 0.00 0.00 64.21 62.82 1twh n SER 466 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1twh s THR 467 N -1.36 3.78 0.17 0.44 -4.23 -1.26 -4.83 115.64 108.34 1twh s THR 467 Ca 0.33 -1.69 -0.25 0.00 -1.18 0.00 0.00 61.69 58.90 1twh s THR 467 Cb 0.17 -3.01 -0.08 0.00 1.34 0.00 0.00 72.50 70.92 1twh s THR 467 CO 0.22 -0.32 0.77 -0.36 -0.54 0.00 0.00 174.62 174.39 1twh s PHE 468 N -2.17 3.89 0.23 3.99 2.99 -0.84 -4.37 117.98 121.70 1twh s PHE 468 Ca 0.31 1.62 0.11 0.00 0.00 0.00 0.00 56.93 58.97 1twh s PHE 468 Cb -0.07 -2.76 -0.05 0.00 0.00 0.00 0.00 43.02 40.14 1twh s PHE 468 CO 0.21 0.50 -0.17 1.03 -0.00 0.00 0.00 175.22 176.80 1twh s ARG 469 N -1.20 1.77 0.01 0.44 0.52 -0.50 -2.08 118.95 117.91 1twh s ARG 469 Ca 0.36 -1.54 -0.11 0.00 -0.52 0.00 0.00 55.73 53.93 1twh s ARG 469 Cb -0.23 -1.92 0.01 0.00 0.52 0.00 0.00 34.95 33.33 1twh s ARG 469 CO 0.26 0.38 0.22 -0.51 0.02 0.00 0.00 175.30 175.67 1twh s LEU 470 N -3.09 1.22 0.41 2.53 1.43 -1.09 -0.11 118.68 120.00 1twh s LEU 470 Ca 0.26 -0.15 -0.22 0.00 -1.03 0.00 0.00 54.13 52.99 1twh s LEU 470 Cb -0.07 0.99 -0.10 0.00 0.03 0.00 0.00 46.19 47.04 1twh s LEU 470 CO 0.14 -0.46 0.98 0.21 0.23 0.00 0.00 176.35 177.45 1twh s ASN 471 N -1.59 6.89 0.42 2.29 3.84 -1.26 -0.32 114.94 125.20 1twh s ASN 471 Ca -0.11 1.82 0.13 0.00 0.21 0.00 0.00 52.86 54.91 1twh s ASN 471 Cb -0.05 -2.56 0.91 0.00 -0.55 0.00 0.00 41.25 39.00 1twh s ASN 471 CO 0.01 -0.40 1.95 -0.07 -2.79 0.00 0.00 177.10 175.80 1twh h LEU 472 N 2.20 0.04 0.00 3.21 4.07 -1.91 -2.74 115.31 120.18 1twh h LEU 472 Ca -0.49 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.47 1twh h LEU 472 Cb 1.19 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.92 1twh h LEU 472 CO 0.62 0.26 0.00 -1.20 -1.08 0.00 0.00 178.44 177.03 1twh n SER 473 N -4.27 0.00 -1.06 -0.43 7.64 -1.26 -2.61 113.62 111.63 1twh n SER 473 Ca -0.02 -1.13 0.12 0.00 1.01 0.00 0.00 58.87 58.84 1twh n SER 473 Cb 0.28 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.70 1twh n SER 473 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1twh n VAL 474 N -0.89 0.38 -0.11 0.44 3.14 -1.03 -4.35 118.33 115.91 1twh n VAL 474 Ca 0.18 -0.66 -0.11 0.00 -2.96 0.00 0.00 64.34 60.79 1twh n VAL 474 Cb 0.08 1.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.88 1twh n VAL 474 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 1twh h THR 475 N 4.27 1.27 -0.01 1.55 2.02 -1.65 -3.23 112.91 117.13 1twh h THR 475 Ca 0.00 -1.49 -0.23 0.00 0.77 0.00 0.00 66.41 65.46 1twh h THR 475 Cb 0.93 1.32 0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1twh h THR 475 CO 0.00 0.50 -0.94 -1.28 0.37 0.00 0.00 175.52 174.17 1twh h SER 476 N 0.73 0.64 0.07 4.18 0.87 -1.80 -1.69 113.55 116.55 1twh h SER 476 Ca 0.08 -0.50 -0.01 0.00 -1.23 0.00 0.00 61.79 60.13 1twh h SER 476 Cb 0.89 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1twh h SER 476 CO 0.08 1.30 -0.04 1.55 -0.53 0.00 0.00 176.83 179.19 1twh h PRO 477 N 0.29 0.00 -0.00 2.24 0.13 -1.74 -2.75 132.00 130.17 1twh h PRO 477 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1twh h PRO 477 Cb 1.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.71 1twh h PRO 477 CO 0.17 0.04 -0.66 0.66 -0.23 0.00 0.00 178.00 177.97 1twh n TYR 478 N -4.01 0.00 -4.00 1.56 0.53 -0.95 -4.28 117.16 106.02 1twh n TYR 478 Ca -0.03 0.00 -0.28 0.00 -1.02 0.00 0.00 57.90 56.58 1twh n TYR 478 Cb 0.12 -0.16 -0.02 0.00 -1.03 0.00 0.00 39.34 38.26 1twh n TYR 478 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 1twh n ASN 479 N -1.45 -1.20 -4.48 7.72 4.05 -0.68 -4.75 115.26 114.46 1twh n ASN 479 Ca 0.05 -0.99 -0.27 0.00 0.45 0.00 0.00 54.58 53.82 1twh n ASN 479 Cb 0.34 -3.08 -0.11 0.00 1.23 0.00 0.00 39.78 38.16 1twh n ASN 479 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1twh s ALA 480 N -3.78 2.69 0.00 5.20 0.00 -1.15 -5.03 121.76 119.69 1twh s ALA 480 Ca 0.19 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1twh s ALA 480 Cb -0.10 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.49 1twh s ALA 480 CO 0.89 0.48 0.00 -0.40 0.00 0.00 0.00 175.76 176.73 1twh n ASP 481 N 0.33 0.30 -1.50 0.00 5.75 -1.26 -4.73 116.55 115.44 1twh n ASP 481 Ca -0.13 -0.31 -0.10 0.00 -0.01 0.00 0.00 54.79 54.24 1twh n ASP 481 Cb 0.55 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.73 1twh n ASP 481 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1twh n PHE 482 N 0.00 1.51 -1.21 2.11 0.99 -1.26 -4.20 117.46 115.39 1twh n PHE 482 Ca 0.00 -1.87 -0.20 0.00 -0.00 0.00 0.00 57.45 55.37 1twh n PHE 482 Cb 0.00 -0.29 0.20 0.00 -1.00 0.00 0.00 39.48 38.39 1twh n PHE 482 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 1twh n ASP 483 N -0.82 3.85 0.00 4.37 3.85 -1.26 -4.77 116.55 121.77 1twh n ASP 483 Ca 0.31 -3.56 0.00 0.00 -0.71 0.00 0.00 54.79 50.83 1twh n ASP 483 Cb 0.86 -0.82 0.00 0.00 -1.35 0.00 0.00 41.12 39.81 1twh n ASP 483 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1twh n GLY 484 N -1.00 1.46 3.50 6.12 0.00 -1.26 -5.11 105.19 108.90 1twh n GLY 484 Ca 0.56 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 46.14 1twh n GLY 484 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1twh n ASP 485 N 0.00 -0.75 -4.37 1.61 10.43 -1.26 -4.82 116.55 117.39 1twh n ASP 485 Ca 0.00 0.68 -0.21 0.00 2.57 0.00 0.00 54.79 57.83 1twh n ASP 485 Cb 0.00 -1.24 -0.10 0.00 1.84 0.00 0.00 41.12 41.62 1twh n ASP 485 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1twh s GLU 486 N -2.54 1.39 0.24 -1.24 2.02 -1.26 -2.19 118.70 115.12 1twh s GLU 486 Ca 0.69 -1.57 0.08 0.00 0.02 0.00 0.00 54.97 54.19 1twh s GLU 486 Cb -0.39 -1.35 -0.05 0.00 0.10 0.00 0.00 34.13 32.43 1twh s GLU 486 CO 0.54 0.25 -0.13 -1.64 0.02 0.00 0.00 175.26 174.30 1twh s MET 487 N -3.31 1.45 -0.08 1.61 -1.94 -1.04 -4.69 119.30 111.31 1twh s MET 487 Ca 0.22 -1.67 -0.00 0.00 -1.71 0.00 0.00 55.69 52.52 1twh s MET 487 Cb -0.03 -1.24 -0.03 0.00 2.01 0.00 0.00 34.83 35.53 1twh s MET 487 CO 0.09 0.17 -0.04 -0.80 -0.01 0.00 0.00 175.02 174.42 1twh s ASN 488 N -3.38 4.85 -0.01 3.03 0.01 -0.76 -2.56 114.94 116.11 1twh s ASN 488 Ca 0.26 0.03 0.06 0.00 -0.71 0.00 0.00 52.86 52.49 1twh s ASN 488 Cb -0.00 -1.31 -0.02 0.00 0.41 0.00 0.00 41.25 40.33 1twh s ASN 488 CO 0.10 0.35 -0.19 -0.22 -1.51 0.00 0.00 177.10 175.63 1twh s LEU 489 N -0.75 2.05 -0.10 0.60 0.20 -0.47 -2.29 118.68 117.93 1twh s LEU 489 Ca 0.11 -0.36 -0.00 0.00 0.69 0.00 0.00 54.13 54.58 1twh s LEU 489 Cb -0.11 -0.96 0.02 0.00 -0.43 0.00 0.00 46.19 44.71 1twh s LEU 489 CO 0.02 0.22 -0.07 -1.00 -0.29 0.00 0.00 176.35 175.23 1twh s HIS 490 N -0.48 1.32 -0.41 5.38 3.76 -0.50 -2.44 115.29 121.93 1twh s HIS 490 Ca 0.07 -0.60 -0.21 0.00 -0.15 0.00 0.00 55.06 54.18 1twh s HIS 490 Cb -0.07 -1.11 0.02 0.00 1.11 0.00 0.00 32.58 32.52 1twh s HIS 490 CO -0.00 -0.43 0.64 0.08 -0.85 0.00 0.00 174.74 174.18 1twh s VAL 491 N 1.53 4.85 0.58 -0.90 1.01 -0.93 -1.65 120.40 124.89 1twh s VAL 491 Ca 0.01 0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.08 1twh s VAL 491 Cb -0.13 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1twh s VAL 491 CO -0.05 -0.49 1.33 -2.16 0.00 0.00 0.00 175.10 173.72 1twh s PRO 492 N 2.79 2.93 0.00 2.72 0.04 -1.26 -4.95 135.00 137.27 1twh s PRO 492 Ca 0.23 2.16 0.08 0.00 0.04 0.00 0.00 61.00 63.52 1twh s PRO 492 Cb -0.14 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 1twh s PRO 492 CO 0.18 -1.33 0.54 1.04 0.04 0.00 0.00 177.00 177.46 1twh n GLN 493 N -1.35 2.47 -4.27 4.56 1.13 -1.26 -4.88 117.38 113.78 1twh n GLN 493 Ca 0.12 -0.48 -0.19 0.00 -1.94 0.00 0.00 57.00 54.51 1twh n GLN 493 Cb 0.46 -1.01 -0.08 0.00 0.11 0.00 0.00 30.24 29.73 1twh n GLN 493 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1twh s SER 494 N -1.27 1.68 0.28 1.08 1.04 -1.26 -4.63 113.70 110.63 1twh s SER 494 Ca 0.06 -1.76 0.03 0.00 0.48 0.00 0.00 55.95 54.77 1twh s SER 494 Cb 0.07 0.57 0.42 0.00 0.10 0.00 0.00 66.02 67.18 1twh s SER 494 CO 0.22 -1.09 1.72 -0.08 0.98 0.00 0.00 173.24 174.99 1twh h GLU 495 N 2.12 0.44 -0.04 4.02 4.57 -1.95 -1.42 114.58 122.33 1twh h GLU 495 Ca -0.25 -0.17 -0.14 0.00 -1.18 0.00 0.00 59.36 57.62 1twh h GLU 495 Cb 1.23 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.81 1twh h GLU 495 CO 0.36 0.68 -0.53 0.93 -1.18 0.00 0.00 179.01 179.28 1twh h GLU 496 N 0.39 0.42 -0.10 1.92 3.07 -1.98 -1.18 114.58 117.11 1twh h GLU 496 Ca 0.06 -0.40 -0.10 0.00 -0.50 0.00 0.00 59.36 58.41 1twh h GLU 496 Cb 0.69 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 1twh h GLU 496 CO 0.05 1.06 -0.39 1.15 -1.40 0.00 0.00 179.01 179.48 1twh h THR 497 N -0.07 1.30 -0.52 1.13 2.02 -1.95 -0.62 112.91 114.21 1twh h THR 497 Ca -0.06 -1.46 -0.07 0.00 0.77 0.00 0.00 66.41 65.59 1twh h THR 497 Cb 1.21 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 69.26 1twh h THR 497 CO 0.11 0.44 0.04 0.03 0.37 0.00 0.00 175.52 176.50 1twh h ARG 498 N 0.18 0.84 -0.38 6.66 3.08 -0.89 -2.95 114.38 120.92 1twh h ARG 498 Ca 0.02 -0.21 -0.12 0.00 0.07 0.00 0.00 59.98 59.73 1twh h ARG 498 Cb 0.78 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1twh h ARG 498 CO 0.06 0.82 -0.26 0.00 -1.07 0.00 0.00 179.97 179.52 1twh h ALA 499 N 1.25 0.83 -0.58 0.04 0.00 -0.54 -0.72 119.26 119.54 1twh h ALA 499 Ca 0.16 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1twh h ALA 499 Cb 0.42 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1twh h ALA 499 CO 0.01 0.64 0.37 0.93 0.00 0.00 0.00 179.25 181.21 1twh h GLU 500 N 0.67 0.73 -0.58 0.00 5.08 -1.01 -0.79 114.58 118.69 1twh h GLU 500 Ca 0.09 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1twh h GLU 500 Cb 0.78 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1twh h GLU 500 CO 0.06 0.48 0.13 -0.07 -1.00 0.00 0.00 179.01 178.62 1twh h LEU 501 N 0.75 0.90 0.00 1.33 3.38 -1.26 -0.28 115.31 120.13 1twh h LEU 501 Ca 0.22 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1twh h LEU 501 Cb -0.04 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1twh h LEU 501 CO -0.07 0.91 -0.62 0.77 0.09 0.00 0.00 178.44 179.51 1twh h SER 502 N 0.85 0.00 0.00 -0.43 4.64 -0.84 -1.87 113.55 115.90 1twh h SER 502 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1twh h SER 502 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1twh h SER 502 CO 0.00 0.10 -1.88 0.00 -0.87 0.00 0.00 176.83 174.18 1twh n GLN 503 N -2.90 0.58 -0.02 4.77 1.13 -0.33 -4.39 117.38 116.23 1twh n GLN 503 Ca 0.01 -0.18 -0.01 0.00 -1.94 0.00 0.00 57.00 54.88 1twh n GLN 503 Cb 0.58 -1.52 -0.03 0.00 0.11 0.00 0.00 30.24 29.39 1twh n GLN 503 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1twh n LEU 504 N -2.17 0.00 -0.97 1.08 4.32 -0.12 -4.84 117.00 114.31 1twh n LEU 504 Ca -0.03 0.00 0.12 0.00 -0.02 0.00 0.00 56.01 56.08 1twh n LEU 504 Cb 0.54 0.08 0.23 0.00 -1.62 0.00 0.00 43.42 42.65 1twh n LEU 504 CO 0.45 0.08 0.71 0.00 -1.22 0.00 0.00 177.39 177.41 1twh s ALA 506 N -1.71 2.40 0.14 0.00 0.00 -0.96 -1.14 121.76 120.50 1twh s ALA 506 Ca 0.35 0.80 -0.18 0.00 0.00 0.00 0.00 51.96 52.93 1twh s ALA 506 Cb 0.21 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 1twh s ALA 506 CO 0.31 -1.38 1.77 0.28 0.00 0.00 0.00 175.76 176.74 1twh h VAL 507 N 0.27 1.01 -0.54 0.00 2.07 -1.86 -1.99 116.25 115.22 1twh h VAL 507 Ca -0.48 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 66.95 1twh h VAL 507 Cb 1.28 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1twh h VAL 507 CO 0.53 0.06 0.34 -0.65 0.02 0.00 0.00 177.57 177.87 1twh h PRO 508 N 0.31 0.66 0.00 1.57 0.11 -1.89 -0.49 132.00 132.27 1twh h PRO 508 Ca 0.11 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1twh h PRO 508 Cb 0.02 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 30.98 1twh h PRO 508 CO -0.07 0.44 0.00 1.28 -0.21 0.00 0.00 178.00 179.44 1twh n LEU 509 N -4.75 0.00 -0.02 2.35 4.77 -0.75 -1.85 117.00 116.75 1twh n LEU 509 Ca 0.04 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.04 1twh n LEU 509 Cb 0.05 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1twh n LEU 509 CO 0.34 0.00 0.50 0.00 -1.33 0.00 0.00 177.39 176.90 1twh n GLN 510 N -0.95 2.47 -0.07 3.23 1.13 -0.20 -4.74 117.38 118.24 1twh n GLN 510 Ca 0.00 -1.67 -0.08 0.00 -1.94 0.00 0.00 57.00 53.32 1twh n GLN 510 Cb 0.00 -1.07 -0.01 0.00 0.11 0.00 0.00 30.24 29.27 1twh n GLN 510 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1twh h ILE 511 N 0.23 0.90 -3.49 5.09 2.04 -1.38 -3.36 117.51 117.54 1twh h ILE 511 Ca 0.00 -0.07 -0.63 0.00 1.00 0.00 0.00 64.86 65.17 1twh h ILE 511 Cb 0.64 0.69 -0.17 0.00 -0.74 0.00 0.00 36.82 37.23 1twh h ILE 511 CO 0.00 0.03 -0.56 -0.69 0.00 0.00 0.00 178.15 176.93 1twh s VAL 512 N -6.17 4.85 0.31 1.67 1.01 -1.26 -0.79 120.40 120.00 1twh s VAL 512 Ca -0.13 -0.00 0.10 0.00 0.00 0.00 0.00 61.98 61.95 1twh s VAL 512 Cb 0.11 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 1twh s VAL 512 CO 0.70 0.39 -0.07 -0.94 0.00 0.00 0.00 175.10 175.18 1twh s SER 513 N 0.92 4.01 0.00 3.32 1.04 -0.80 -4.87 113.70 117.32 1twh s SER 513 Ca 0.05 -0.96 0.21 0.00 0.48 0.00 0.00 55.95 55.73 1twh s SER 513 Cb -0.14 -0.50 1.01 0.00 0.10 0.00 0.00 66.02 66.49 1twh s SER 513 CO 0.03 -0.10 1.66 -0.81 0.98 0.00 0.00 173.24 175.00 1twh n PRO 514 N -0.82 0.23 -0.03 4.02 -0.04 -1.26 -2.64 135.00 134.46 1twh n PRO 514 Ca -0.05 0.10 -0.13 0.00 -0.04 0.00 0.00 63.50 63.38 1twh n PRO 514 Cb 0.61 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.46 1twh n PRO 514 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1twh h GLN 515 N 0.00 0.03 0.00 0.54 4.15 -1.90 -3.35 115.11 114.57 1twh h GLN 515 Ca 0.00 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 1twh h GLN 515 Cb 0.23 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 27.82 1twh h GLN 515 CO 0.00 0.69 -0.54 0.43 -1.93 0.00 0.00 178.83 177.48 1twh n SER 516 N -4.74 1.29 -4.27 -0.69 7.64 -1.25 -0.88 113.62 110.72 1twh n SER 516 Ca -0.09 -2.80 -0.32 0.00 1.01 0.00 0.00 58.87 56.67 1twh n SER 516 Cb 0.34 -0.37 -0.09 0.00 -1.01 0.00 0.00 64.21 63.08 1twh n SER 516 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1twh n ASN 517 N -0.50 0.25 -2.22 6.43 0.23 -1.08 -4.87 115.26 113.50 1twh n ASN 517 Ca 0.11 -1.21 -0.09 0.00 -0.53 0.00 0.00 54.58 52.86 1twh n ASN 517 Cb 0.81 -1.51 -0.02 0.00 -2.08 0.00 0.00 39.78 36.98 1twh n ASN 517 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1twh n LYS 518 N -4.28 0.44 -1.77 -3.83 2.85 -1.24 -4.75 118.16 105.58 1twh n LYS 518 Ca -0.21 -1.70 -0.39 0.00 -1.05 0.00 0.00 58.31 54.96 1twh n LYS 518 Cb 0.61 1.65 0.03 0.00 -0.65 0.00 0.00 35.03 36.66 1twh n LYS 518 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 1twh s PRO 519 N -2.47 3.51 0.00 -1.58 0.02 -1.26 -1.90 135.00 131.32 1twh s PRO 519 Ca 0.18 2.40 0.18 0.00 0.02 0.00 0.00 61.00 63.77 1twh s PRO 519 Cb -0.01 -2.54 0.16 0.00 0.02 0.00 0.00 34.50 32.13 1twh s PRO 519 CO 0.13 -0.95 1.08 0.00 -0.33 0.00 0.00 177.00 176.93 1twh s MET 521 N -1.46 2.21 0.32 0.00 -1.94 -1.26 -4.28 119.30 112.89 1twh s MET 521 Ca 0.21 -0.58 0.04 0.00 -1.71 0.00 0.00 55.69 53.66 1twh s MET 521 Cb 0.15 -1.78 -0.02 0.00 2.01 0.00 0.00 34.83 35.19 1twh s MET 521 CO 0.22 0.05 0.30 0.20 -0.01 0.00 0.00 175.02 175.79 1twh s GLY 522 N 0.65 2.07 0.06 -0.03 0.00 -1.26 -4.57 107.32 104.24 1twh s GLY 522 Ca -0.14 -1.93 -0.30 0.00 0.00 0.00 0.00 44.72 42.35 1twh s GLY 522 CO 0.04 -1.37 1.01 -0.42 0.00 0.00 0.00 173.10 172.36 1twh s ILE 523 N -3.44 4.56 0.28 0.90 -1.09 -1.01 -4.63 121.20 116.77 1twh s ILE 523 Ca 0.39 1.95 0.04 0.00 -2.23 0.00 0.00 60.65 60.80 1twh s ILE 523 Cb 0.02 -4.25 -0.06 0.00 -1.58 0.00 0.00 42.46 36.60 1twh s ILE 523 CO 0.25 0.21 0.02 0.68 -1.23 0.00 0.00 174.94 174.87 1twh s VAL 524 N 0.58 1.18 0.00 2.92 -7.23 -1.26 -4.64 120.40 111.95 1twh s VAL 524 Ca 0.51 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 1twh s VAL 524 Cb -0.24 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.15 1twh s VAL 524 CO 0.29 -0.17 0.00 0.00 -0.31 0.00 0.00 175.10 174.91 1twh n GLN 525 N -0.56 0.00 -0.10 4.82 6.02 -1.26 -2.25 117.38 124.05 1twh n GLN 525 Ca -0.04 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.84 1twh n GLN 525 Cb 0.65 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.87 1twh n GLN 525 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1twh h ASP 526 N 0.00 0.60 1.21 1.08 3.32 -1.97 -0.69 116.42 119.97 1twh h ASP 526 Ca 0.00 -0.37 -0.04 0.00 0.02 0.00 0.00 57.03 56.64 1twh h ASP 526 Cb 0.00 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1twh h ASP 526 CO 0.00 0.83 -0.18 0.74 -1.72 0.00 0.00 179.24 178.90 1twh h THR 527 N 0.36 0.40 -0.10 0.35 2.02 -1.84 0.14 112.91 114.24 1twh h THR 527 Ca 0.08 -1.15 -0.19 0.00 0.77 0.00 0.00 66.41 65.93 1twh h THR 527 Cb 0.57 1.85 0.01 0.00 -1.74 0.00 0.00 68.15 68.85 1twh h THR 527 CO 0.03 0.18 -0.66 0.25 0.37 0.00 0.00 175.52 175.69 1twh h LEU 528 N 0.00 0.75 -0.76 2.58 5.85 -1.14 -0.30 115.31 122.29 1twh h LEU 528 Ca -0.00 -0.66 0.18 0.00 0.84 0.00 0.00 57.88 58.23 1twh h LEU 528 Cb 0.84 -0.22 -0.12 0.00 0.37 0.00 0.00 40.66 41.53 1twh h LEU 528 CO 0.02 1.30 0.16 0.00 -0.34 0.00 0.00 178.44 179.58 1twh h GLY 530 N 0.23 0.00 2.00 0.00 0.00 -0.70 -3.17 103.07 101.42 1twh h GLY 530 Ca 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.73 1twh h GLY 530 CO -0.56 0.00 -0.18 1.19 0.00 0.00 0.00 176.54 176.99 1twh h ILE 531 N 0.00 0.36 0.45 2.60 2.10 -0.91 -0.13 117.51 121.98 1twh h ILE 531 Ca -0.05 -1.19 -0.02 0.00 1.08 0.00 0.00 64.86 64.68 1twh h ILE 531 Cb 1.17 1.91 0.00 0.00 -1.09 0.00 0.00 36.82 38.81 1twh h ILE 531 CO 0.01 0.17 -0.22 -0.09 -1.08 0.00 0.00 178.15 176.95 1twh h ARG 532 N 0.00 -0.59 -0.89 2.19 2.43 -1.49 -1.83 114.38 114.21 1twh h ARG 532 Ca -0.00 0.04 0.24 0.00 -0.81 0.00 0.00 59.98 59.45 1twh h ARG 532 Cb 0.90 0.13 -0.15 0.00 -0.42 0.00 0.00 29.97 30.43 1twh h ARG 532 CO 0.02 -0.28 0.17 0.87 -1.51 0.00 0.00 179.97 179.24 1twh h LYS 533 N -0.97 0.14 0.00 0.20 1.57 -1.47 -1.04 116.57 114.99 1twh h LYS 533 Ca -0.06 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1twh h LYS 533 Cb 0.58 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1twh h LYS 533 CO 0.10 0.09 -0.03 1.25 -0.57 0.00 0.00 179.45 180.29 1twh h LEU 534 N 0.14 0.00 -2.87 2.94 5.85 -0.76 -3.11 115.31 117.50 1twh h LEU 534 Ca 0.55 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.27 1twh h LEU 534 Cb 1.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1twh h LEU 534 CO -0.72 0.03 0.00 0.41 -0.34 0.00 0.00 178.44 177.82 1twh n THR 535 N -3.13 1.16 -1.46 1.05 -1.04 -0.40 -3.80 114.28 106.65 1twh n THR 535 Ca 0.01 -1.06 -0.32 0.00 -2.04 0.00 0.00 64.05 60.64 1twh n THR 535 Cb 0.34 0.42 0.07 0.00 -1.82 0.00 0.00 70.33 69.34 1twh n THR 535 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1twh s LEU 536 N -1.18 3.15 0.27 -4.42 1.43 -1.16 -4.45 118.68 112.32 1twh s LEU 536 Ca 0.40 1.83 -0.08 0.00 -1.03 0.00 0.00 54.13 55.25 1twh s LEU 536 Cb 0.22 -4.52 0.46 0.00 0.03 0.00 0.00 46.19 42.37 1twh s LEU 536 CO 0.25 -1.80 1.58 -0.09 0.23 0.00 0.00 176.35 176.52 1twh h ARG 537 N -0.72 0.01 -0.01 1.70 2.43 -1.93 -2.70 114.38 113.15 1twh h ARG 537 Ca -0.44 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1twh h ARG 537 Cb 1.23 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1twh h ARG 537 CO 0.53 0.01 -0.00 -0.25 -1.51 0.00 0.00 179.97 178.75 1twh n ASP 538 N -5.55 1.15 -4.59 -3.80 8.00 -1.26 -4.77 116.55 105.72 1twh n ASP 538 Ca 0.15 -1.38 -0.43 0.00 0.71 0.00 0.00 54.79 53.85 1twh n ASP 538 Cb 0.50 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.57 1twh n ASP 538 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1twh s THR 539 N -2.00 4.53 0.10 -3.53 2.01 -1.02 -5.02 115.64 110.71 1twh s THR 539 Ca 0.40 1.08 0.10 0.00 0.31 0.00 0.00 61.69 63.59 1twh s THR 539 Cb 0.21 -4.38 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1twh s THR 539 CO 0.34 -0.64 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.01 1twh s PHE 540 N 3.61 2.21 0.01 4.92 0.40 -1.26 -2.13 117.98 125.74 1twh s PHE 540 Ca 0.39 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 56.38 1twh s PHE 540 Cb -0.11 -1.23 -0.02 0.00 0.51 0.00 0.00 43.02 42.17 1twh s PHE 540 CO 0.21 0.26 -0.17 0.42 0.70 0.00 0.00 175.22 176.65 1twh s ILE 541 N -1.01 1.35 0.74 0.64 1.09 -0.72 -4.93 121.20 118.37 1twh s ILE 541 Ca 0.12 -0.88 -0.00 0.00 -1.10 0.00 0.00 60.65 58.78 1twh s ILE 541 Cb -0.10 -1.16 0.15 0.00 -1.06 0.00 0.00 42.46 40.29 1twh s ILE 541 CO 0.05 0.26 1.01 -0.62 -0.10 0.00 0.00 174.94 175.53 1twh n GLU 542 N 2.32 -0.12 0.06 2.79 1.02 -1.26 -2.31 120.64 123.13 1twh n GLU 542 Ca -0.16 -2.74 -0.13 0.00 -0.02 0.00 0.00 57.16 54.11 1twh n GLU 542 Cb 0.54 -0.67 -0.03 0.00 -0.02 0.00 0.00 31.44 31.26 1twh n GLU 542 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1twh h LEU 543 N 0.00 0.54 0.18 -4.62 5.85 -1.98 0.24 115.31 115.52 1twh h LEU 543 Ca -0.33 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 57.98 1twh h LEU 543 Cb 1.23 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1twh h LEU 543 CO 0.36 1.20 -0.17 -2.24 -0.34 0.00 0.00 178.44 177.25 1twh h ASP 544 N 0.25 -0.44 -0.57 1.25 2.03 -1.97 -0.88 116.42 116.10 1twh h ASP 544 Ca -0.07 0.04 0.05 0.00 -0.73 0.00 0.00 57.03 56.32 1twh h ASP 544 Cb 1.51 0.15 -0.05 0.00 -0.83 0.00 0.00 39.33 40.11 1twh h ASP 544 CO 0.15 -0.25 0.30 -0.61 -1.03 0.00 0.00 179.24 177.80 1twh h GLN 545 N -0.37 0.56 -0.04 4.15 4.15 -1.93 -3.10 115.11 118.52 1twh h GLN 545 Ca -0.00 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.42 1twh h GLN 545 Cb 0.34 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.86 1twh h GLN 545 CO -0.04 0.37 -0.22 0.28 -1.93 0.00 0.00 178.83 177.29 1twh h VAL 546 N 0.57 0.48 0.00 2.39 2.07 -0.16 0.54 116.25 122.14 1twh h VAL 546 Ca 0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1twh h VAL 546 Cb 0.14 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1twh h VAL 546 CO -0.16 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.36 1twh h LEU 547 N -0.33 0.00 -0.02 2.57 3.38 -1.14 -0.53 115.31 119.23 1twh h LEU 547 Ca 0.07 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.81 1twh h LEU 547 Cb 0.43 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.20 1twh h LEU 547 CO -0.23 0.00 -0.89 0.78 0.09 0.00 0.00 178.44 178.20 1twh h ASN 548 N 0.00 0.82 -0.99 -0.43 2.35 0.09 -2.43 115.58 114.99 1twh h ASN 548 Ca 0.00 -0.72 0.14 0.00 -0.55 0.00 0.00 56.30 55.17 1twh h ASN 548 Cb 0.62 -0.25 -0.09 0.00 0.05 0.00 0.00 38.32 38.65 1twh h ASN 548 CO 0.00 1.44 0.61 0.24 -1.65 0.00 0.00 177.43 178.07 1twh h MET 549 N 0.29 0.88 -0.37 0.81 2.86 0.02 0.04 114.93 119.46 1twh h MET 549 Ca -0.10 -0.05 -0.15 0.00 -2.06 0.00 0.00 59.70 57.33 1twh h MET 549 Cb 1.55 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 33.00 1twh h MET 549 CO 0.18 0.59 -0.37 -0.07 1.06 0.00 0.00 176.91 178.30 1twh h LEU 550 N 0.91 0.93 -0.45 1.22 3.38 -0.99 -2.23 115.31 118.08 1twh h LEU 550 Ca 0.52 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1twh h LEU 550 Cb 0.61 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1twh h LEU 550 CO -0.30 1.19 0.00 0.22 0.09 0.00 0.00 178.44 179.63 1twh h TYR 551 N 0.72 0.00 0.00 1.13 3.20 -0.70 -2.63 116.97 118.69 1twh h TYR 551 Ca 0.06 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 1twh h TYR 551 Cb 0.94 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 1twh h TYR 551 CO 0.06 0.00 -0.23 -1.49 -1.64 0.00 0.00 178.16 174.86 1twh h TRP 552 N 0.00 0.00 -3.65 -3.82 4.06 -0.40 -3.41 115.95 108.73 1twh h TRP 552 Ca 0.00 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.38 1twh h TRP 552 Cb 0.74 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.83 1twh h TRP 552 CO 0.00 0.23 0.87 0.08 -3.56 0.00 0.00 178.44 176.05 1twh s VAL 553 N -3.97 4.29 0.65 1.49 1.01 -0.99 -4.87 120.40 118.00 1twh s VAL 553 Ca -0.02 1.24 0.36 0.00 0.00 0.00 0.00 61.98 63.56 1twh s VAL 553 Cb 0.12 -4.55 0.38 0.00 0.00 0.00 0.00 36.38 32.33 1twh s VAL 553 CO 0.64 -0.90 2.16 -0.65 0.00 0.00 0.00 175.10 176.34 1twh h PRO 554 N 9.03 0.00 -1.63 2.72 0.11 -1.87 -2.61 132.00 137.75 1twh h PRO 554 Ca -0.23 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.39 1twh h PRO 554 Cb 1.06 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.76 1twh h PRO 554 CO 1.10 0.00 -0.98 -3.47 -0.21 0.00 0.00 178.00 174.44 1twh n ASP 555 N -3.23 2.65 -4.66 -2.05 -0.08 -1.26 -5.01 116.55 102.90 1twh n ASP 555 Ca -0.01 -3.22 -0.42 0.00 -1.51 0.00 0.00 54.79 49.63 1twh n ASP 555 Cb 0.24 -0.54 -0.03 0.00 2.34 0.00 0.00 41.12 43.13 1twh n ASP 555 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 1twh s TRP 556 N -3.11 1.60 0.76 -0.67 -0.00 -0.99 -5.04 118.94 111.49 1twh s TRP 556 Ca 0.40 -0.22 -0.15 0.00 -0.00 0.00 0.00 56.10 56.13 1twh s TRP 556 Cb 0.38 -4.15 0.05 0.00 -0.00 0.00 0.00 33.47 29.76 1twh s TRP 556 CO -0.08 -5.00 1.15 -0.40 -0.00 0.00 0.00 176.95 172.62 1twh n ASP 557 N 7.14 1.02 -1.00 5.86 5.68 -1.26 -4.85 116.55 129.14 1twh n ASP 557 Ca 0.19 0.64 -0.00 0.00 -0.50 0.00 0.00 54.79 55.12 1twh n ASP 557 Cb 0.41 -1.49 0.00 0.00 -1.14 0.00 0.00 41.12 38.90 1twh n ASP 557 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1twh n GLY 558 N 0.76 2.01 3.60 6.12 0.00 -1.26 -4.77 105.19 111.65 1twh n GLY 558 Ca 0.14 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1twh n GLY 558 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1twh s VAL 559 N -0.04 5.22 -0.12 1.61 1.01 -1.26 -4.98 120.40 121.83 1twh s VAL 559 Ca 0.00 0.40 -0.29 0.00 0.00 0.00 0.00 61.98 62.09 1twh s VAL 559 Cb 0.00 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1twh s VAL 559 CO 0.00 0.18 1.31 -0.63 0.00 0.00 0.00 175.10 175.96 1twh s ILE 560 N 1.96 4.16 1.05 2.22 1.01 -1.26 -4.97 121.20 125.37 1twh s ILE 560 Ca 0.12 1.43 -0.12 0.00 0.00 0.00 0.00 60.65 62.08 1twh s ILE 560 Cb -0.16 -3.92 0.22 0.00 0.01 0.00 0.00 42.46 38.61 1twh s ILE 560 CO 0.10 -0.10 1.07 -2.16 0.00 0.00 0.00 174.94 173.86 1twh s PRO 561 N 3.29 -0.06 -0.15 2.79 0.04 -1.26 -4.93 135.00 134.72 1twh s PRO 561 Ca 0.58 1.03 -0.15 0.00 0.04 0.00 0.00 61.00 62.50 1twh s PRO 561 Cb -0.24 -1.64 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 1twh s PRO 561 CO 0.18 -3.20 0.34 0.99 0.04 0.00 0.00 177.00 175.35 1twh s THR 562 N -2.59 5.28 0.52 1.26 2.01 -1.26 -5.03 115.64 115.82 1twh s THR 562 Ca 0.67 0.64 -0.18 0.00 0.31 0.00 0.00 61.69 63.13 1twh s THR 562 Cb -0.23 -3.67 -0.07 0.00 0.01 0.00 0.00 72.50 68.53 1twh s THR 562 CO 0.61 0.37 1.02 -2.16 -0.69 0.00 0.00 174.62 173.78 1twh s PRO 563 N 0.50 3.74 0.16 4.92 0.04 -1.26 -4.96 135.00 138.13 1twh s PRO 563 Ca 0.19 1.21 0.23 0.00 0.04 0.00 0.00 61.00 62.67 1twh s PRO 563 Cb -0.13 -2.09 0.22 0.00 0.04 0.00 0.00 34.50 32.53 1twh s PRO 563 CO 0.05 -0.46 1.23 0.00 0.04 0.00 0.00 177.00 177.86 1twh h ALA 564 N 1.16 0.56 -3.15 8.56 0.00 -1.81 -3.36 119.26 121.22 1twh h ALA 564 Ca -0.48 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 53.78 1twh h ALA 564 Cb 1.21 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.76 1twh h ALA 564 CO 0.59 0.00 -0.68 0.42 0.00 0.00 0.00 179.25 179.58 1twh s ILE 565 N -3.23 3.75 -0.23 0.00 1.09 -0.25 -4.98 121.20 117.36 1twh s ILE 565 Ca 0.04 -0.39 0.04 0.00 -1.10 0.00 0.00 60.65 59.24 1twh s ILE 565 Cb 0.12 -2.68 -0.16 0.00 -1.06 0.00 0.00 42.46 38.67 1twh s ILE 565 CO 0.75 0.45 -0.17 -0.38 -0.10 0.00 0.00 174.94 175.48 1twh n ILE 566 N 4.15 1.34 0.00 2.92 2.08 -1.26 -1.77 119.36 126.82 1twh n ILE 566 Ca -0.17 -0.56 0.00 0.00 0.56 0.00 0.00 62.75 62.58 1twh n ILE 566 Cb 0.52 -1.21 0.00 0.00 -0.75 0.00 0.00 39.64 38.19 1twh n ILE 566 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1twh n LYS 567 N -3.11 0.00 0.24 0.38 2.85 -1.26 -3.49 118.16 113.77 1twh n LYS 567 Ca -0.40 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 56.93 1twh n LYS 567 Cb 0.97 0.00 0.57 0.00 -0.65 0.00 0.00 35.03 35.92 1twh n LYS 567 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 1twh h PRO 568 N 0.00 0.01 -2.29 -1.58 0.11 -2.04 -3.42 132.00 122.78 1twh h PRO 568 Ca 0.00 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 1twh h PRO 568 Cb 0.00 -0.00 -0.22 0.00 0.11 0.00 0.00 31.00 30.88 1twh h PRO 568 CO 0.00 0.09 -0.03 0.21 -0.21 0.00 0.00 178.00 178.06 1twh s LYS 569 N -4.88 0.68 -0.32 1.05 2.20 -1.25 -5.13 119.74 112.09 1twh s LYS 569 Ca -0.05 0.86 -0.28 0.00 -0.36 0.00 0.00 55.97 56.14 1twh s LYS 569 Cb 0.16 0.30 -0.02 0.00 -1.51 0.00 0.00 37.83 36.76 1twh s LYS 569 CO 0.68 -0.09 1.76 -1.25 -0.36 0.00 0.00 175.35 176.09 1twh s PRO 570 N 0.50 3.41 -0.07 4.03 0.04 -1.23 -4.13 135.00 137.55 1twh s PRO 570 Ca -0.02 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.45 1twh s PRO 570 Cb -0.04 -4.17 0.03 0.00 0.04 0.00 0.00 34.50 30.35 1twh s PRO 570 CO -0.02 -1.77 0.01 -0.51 0.04 0.00 0.00 177.00 174.75 1twh s LEU 571 N 6.60 0.57 0.31 -3.56 1.02 -0.73 -4.58 118.68 118.31 1twh s LEU 571 Ca 0.78 -0.07 -0.16 0.00 0.02 0.00 0.00 54.13 54.70 1twh s LEU 571 Cb -0.22 -0.42 -0.09 0.00 0.02 0.00 0.00 46.19 45.48 1twh s LEU 571 CO 0.33 -0.20 0.75 0.26 0.02 0.00 0.00 176.35 177.52 1twh s TRP 572 N 1.97 3.41 0.51 0.29 0.51 -0.98 -1.09 118.94 123.56 1twh s TRP 572 Ca 0.05 1.27 -0.02 0.00 -2.12 0.00 0.00 56.10 55.28 1twh s TRP 572 Cb -0.12 -2.57 0.00 0.00 -0.81 0.00 0.00 33.47 29.98 1twh s TRP 572 CO -0.05 0.12 0.76 -1.54 -0.51 0.00 0.00 176.95 175.73 1twh s SER 573 N -2.17 5.69 0.13 2.95 1.04 -1.26 -1.76 113.70 118.32 1twh s SER 573 Ca 0.53 0.39 -0.20 0.00 0.48 0.00 0.00 55.95 57.15 1twh s SER 573 Cb -0.11 -1.52 -0.03 0.00 0.10 0.00 0.00 66.02 64.46 1twh s SER 573 CO 0.18 -0.87 1.70 1.23 0.98 0.00 0.00 173.24 176.46 1twh h GLY 574 N 0.17 0.12 -0.29 7.32 0.00 -1.53 0.40 103.07 109.26 1twh h GLY 574 Ca -0.45 0.07 0.25 0.00 0.00 0.00 0.00 47.33 47.20 1twh h GLY 574 CO 0.58 -0.08 0.48 0.50 0.00 0.00 0.00 176.54 178.02 1twh h LYS 575 N -0.02 0.41 -0.05 4.80 1.57 -1.84 -1.22 116.57 120.22 1twh h LYS 575 Ca 0.09 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.69 1twh h LYS 575 Cb 0.16 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1twh h LYS 575 CO -0.20 0.27 -0.68 1.96 -0.57 0.00 0.00 179.45 180.23 1twh h GLN 576 N 0.42 0.23 0.00 3.15 4.20 -1.29 -1.94 115.11 119.89 1twh h GLN 576 Ca 0.63 -0.18 -0.15 0.00 0.06 0.00 0.00 58.65 59.00 1twh h GLN 576 Cb 1.27 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.06 1twh h GLN 576 CO -0.54 0.83 -0.73 0.82 -0.67 0.00 0.00 178.83 178.53 1twh h ILE 577 N 0.16 1.30 -0.36 2.54 1.08 -0.37 -3.24 117.51 118.63 1twh h ILE 577 Ca -0.02 -2.73 -0.03 0.00 -0.39 0.00 0.00 64.86 61.70 1twh h ILE 577 Cb 1.22 2.57 -0.02 0.00 -3.07 0.00 0.00 36.82 37.52 1twh h ILE 577 CO 0.11 0.72 0.11 0.25 -0.69 0.00 0.00 178.15 178.65 1twh h LEU 578 N 0.00 0.46 -0.96 1.44 5.85 -1.31 -0.31 115.31 120.48 1twh h LEU 578 Ca -0.01 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1twh h LEU 578 Cb 1.51 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1twh h LEU 578 CO 0.10 0.45 0.06 -1.20 -0.34 0.00 0.00 178.44 177.50 1twh n SER 579 N -4.37 0.38 0.27 1.25 7.64 -0.74 0.36 113.62 118.41 1twh n SER 579 Ca 0.02 0.65 0.17 0.00 1.01 0.00 0.00 58.87 60.72 1twh n SER 579 Cb 0.16 -0.68 0.65 0.00 -1.01 0.00 0.00 64.21 63.33 1twh n SER 579 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1twh h VAL 580 N 0.00 0.04 0.00 0.44 2.07 -1.16 -3.13 116.25 114.50 1twh h VAL 580 Ca 0.00 -0.57 -0.17 0.00 0.82 0.00 0.00 66.70 66.78 1twh h VAL 580 Cb 0.12 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1twh h VAL 580 CO 0.00 0.01 -1.83 0.00 0.02 0.00 0.00 177.57 175.78 1twh n ALA 581 N -2.10 2.08 -2.64 1.67 0.00 0.16 -4.78 120.51 114.89 1twh n ALA 581 Ca 0.01 -0.74 -0.43 0.00 0.00 0.00 0.00 53.44 52.28 1twh n ALA 581 Cb 0.32 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 1twh n ALA 581 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1twh s ILE 582 N -2.99 4.67 0.82 0.00 1.01 -1.18 -4.88 121.20 118.66 1twh s ILE 582 Ca -0.06 1.97 -0.12 0.00 0.00 0.00 0.00 60.65 62.44 1twh s ILE 582 Cb 0.09 -4.27 0.09 0.00 0.01 0.00 0.00 42.46 38.38 1twh s ILE 582 CO 0.84 -0.08 1.16 -2.16 0.00 0.00 0.00 174.94 174.71 1twh s PRO 583 N 2.58 1.86 0.44 2.79 0.04 -1.26 -4.73 135.00 136.72 1twh s PRO 583 Ca 0.48 0.18 -0.22 0.00 0.04 0.00 0.00 61.00 61.47 1twh s PRO 583 Cb -0.18 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 1twh s PRO 583 CO 0.13 -1.68 1.05 -0.80 0.04 0.00 0.00 177.00 175.74 1twh s ASN 584 N -4.44 6.52 0.00 6.66 0.01 -1.26 -4.01 114.94 118.41 1twh s ASN 584 Ca 0.62 2.00 0.00 0.00 -0.71 0.00 0.00 52.86 54.77 1twh s ASN 584 Cb -0.12 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 38.97 1twh s ASN 584 CO 0.50 -0.66 0.00 0.61 -1.51 0.00 0.00 177.10 176.04 1twh n GLY 585 N 0.07 1.38 2.94 0.66 0.00 -1.25 -4.84 105.19 104.15 1twh n GLY 585 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 1twh n GLY 585 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1twh s ILE 586 N -2.00 0.73 -0.02 -0.61 1.09 -1.26 -4.94 121.20 114.19 1twh s ILE 586 Ca 0.00 -0.25 0.03 0.00 -1.10 0.00 0.00 60.65 59.33 1twh s ILE 586 Cb 0.00 -0.71 -0.00 0.00 -1.06 0.00 0.00 42.46 40.69 1twh s ILE 586 CO 0.00 0.26 -0.11 -1.00 -0.10 0.00 0.00 174.94 173.99 1twh s HIS 587 N 0.77 1.07 -0.12 3.97 3.76 -1.26 -0.95 115.29 122.54 1twh s HIS 587 Ca -0.12 -0.25 -0.22 0.00 -0.15 0.00 0.00 55.06 54.31 1twh s HIS 587 Cb -0.14 -0.73 0.05 0.00 1.11 0.00 0.00 32.58 32.86 1twh s HIS 587 CO 0.01 -0.08 0.54 -1.17 -0.85 0.00 0.00 174.74 173.19 1twh s LEU 588 N 0.03 -0.07 0.03 0.89 0.20 -0.27 -4.99 118.68 114.51 1twh s LEU 588 Ca -0.01 0.76 0.02 0.00 0.69 0.00 0.00 54.13 55.59 1twh s LEU 588 Cb -0.08 1.96 -0.02 0.00 -0.43 0.00 0.00 46.19 47.63 1twh s LEU 588 CO 0.00 -0.38 -0.07 -1.10 -0.29 0.00 0.00 176.35 174.51 1twh s GLN 589 N -0.54 0.51 -0.06 1.98 -0.21 -1.26 -1.31 119.66 118.78 1twh s GLN 589 Ca -0.07 -0.60 -0.08 0.00 0.02 0.00 0.00 55.36 54.63 1twh s GLN 589 Cb -0.03 -0.34 0.02 0.00 1.00 0.00 0.00 33.01 33.65 1twh s GLN 589 CO 0.04 0.07 0.21 0.50 -2.12 0.00 0.00 175.29 174.00 1twh s ARG 590 N -1.17 0.36 -0.15 2.91 3.52 0.25 -4.91 118.95 119.76 1twh s ARG 590 Ca -0.06 0.10 -0.03 0.00 -0.13 0.00 0.00 55.73 55.60 1twh s ARG 590 Cb -0.08 0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 33.45 1twh s ARG 590 CO 0.00 -0.07 -0.03 -0.06 -0.81 0.00 0.00 175.30 174.33 1twh s PHE 591 N -0.38 3.04 0.00 5.12 0.40 -1.26 -1.77 117.98 123.13 1twh s PHE 591 Ca -0.05 -0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.06 1twh s PHE 591 Cb -0.03 -1.94 0.00 0.00 0.51 0.00 0.00 43.02 41.56 1twh s PHE 591 CO 0.01 0.03 0.00 -0.25 0.70 0.00 0.00 175.22 175.71 1twh n ASP 592 N 3.36 0.00 0.26 1.36 8.00 -1.26 -4.93 116.55 123.34 1twh n ASP 592 Ca -0.17 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.48 1twh n ASP 592 Cb 0.53 0.00 0.64 0.00 -0.02 0.00 0.00 41.12 42.26 1twh n ASP 592 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1twh h GLU 593 N 0.00 0.00 0.00 -1.24 4.81 -2.01 -3.06 114.58 113.08 1twh h GLU 593 Ca 0.00 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 1twh h GLU 593 Cb 0.00 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.24 1twh h GLU 593 CO 0.00 0.06 -0.31 0.41 -0.73 0.00 0.00 179.01 178.45 1twh n GLY 594 N 0.02 1.08 3.69 1.92 0.00 -1.26 -5.14 105.19 105.51 1twh n GLY 594 Ca 0.00 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1twh n GLY 594 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1twh n THR 595 N -0.52 3.93 -4.18 2.61 -1.04 -1.16 -4.87 114.28 109.05 1twh n THR 595 Ca -0.05 -0.50 -0.17 0.00 -2.04 0.00 0.00 64.05 61.29 1twh n THR 595 Cb 0.82 -1.44 -0.06 0.00 -1.82 0.00 0.00 70.33 67.83 1twh n THR 595 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1twh s THR 596 N -1.37 0.00 -2.06 12.58 2.01 -1.26 -4.78 115.64 120.76 1twh s THR 596 Ca 0.75 -1.79 0.12 0.00 0.31 0.00 0.00 61.69 61.08 1twh s THR 596 Cb -0.42 -2.59 0.33 0.00 0.01 0.00 0.00 72.50 69.83 1twh s THR 596 CO 0.47 0.00 1.40 0.18 -0.69 0.00 0.00 174.62 175.98 1twh n LEU 597 N -0.60 0.66 -0.71 4.42 4.32 -1.26 -0.93 117.00 122.90 1twh n LEU 597 Ca 0.04 -0.30 0.07 0.00 -0.02 0.00 0.00 56.01 55.80 1twh n LEU 597 Cb 0.62 -0.06 0.22 0.00 -1.62 0.00 0.00 43.42 42.58 1twh n LEU 597 CO 0.31 0.15 0.67 0.18 -1.22 0.00 0.00 177.39 177.48 1twh n LEU 598 N -0.26 3.51 0.00 2.23 4.77 -1.26 -5.06 117.00 120.94 1twh n LEU 598 Ca 0.10 -3.14 0.00 0.00 -0.03 0.00 0.00 56.01 52.94 1twh n LEU 598 Cb 0.14 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1twh n LEU 598 CO 0.08 0.77 0.00 -1.54 -1.33 0.00 0.00 177.39 175.36 1twh n SER 599 N -0.83 0.00 -0.14 -1.43 3.41 -0.10 -4.75 113.62 109.78 1twh n SER 599 Ca 0.21 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.79 1twh n SER 599 Cb 0.84 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.84 1twh n SER 599 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1twh h PRO 600 N 0.00 0.16 0.00 4.33 0.13 -1.89 -0.46 132.00 134.27 1twh h PRO 600 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1twh h PRO 600 Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 1twh h PRO 600 CO 0.00 0.11 0.00 1.63 -0.23 0.00 0.00 178.00 179.51 1twh n LYS 601 N -5.16 0.10 -3.35 0.86 5.02 -1.26 -4.95 118.16 109.42 1twh n LYS 601 Ca 0.04 0.22 -0.17 0.00 -2.02 0.00 0.00 58.31 56.38 1twh n LYS 601 Cb 0.22 -1.66 0.04 0.00 -0.02 0.00 0.00 35.03 33.62 1twh n LYS 601 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1twh n ASP 602 N -1.84 -6.46 -4.81 4.39 2.03 -0.18 -4.98 116.55 104.70 1twh n ASP 602 Ca 0.04 -0.67 -0.22 0.00 0.52 0.00 0.00 54.79 54.46 1twh n ASP 602 Cb 0.28 -4.56 -0.05 0.00 -0.72 0.00 0.00 41.12 36.07 1twh n ASP 602 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1twh s ASN 603 N -3.31 4.93 0.46 1.67 3.84 -1.26 -2.64 114.94 118.63 1twh s ASN 603 Ca 0.34 -0.72 0.00 0.00 0.21 0.00 0.00 52.86 52.69 1twh s ASN 603 Cb -0.07 -0.73 0.00 0.00 -0.55 0.00 0.00 41.25 39.90 1twh s ASN 603 CO 0.78 -0.44 0.00 0.61 -2.79 0.00 0.00 177.10 175.26 1twh n GLY 604 N -1.33 -1.63 3.12 1.21 0.00 -1.26 -4.11 105.19 101.18 1twh n GLY 604 Ca -0.01 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 1twh n GLY 604 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1twh s MET 605 N -0.55 0.32 -0.07 1.61 1.75 -0.73 -4.15 119.30 117.48 1twh s MET 605 Ca 0.00 0.21 -0.04 0.00 -1.25 0.00 0.00 55.69 54.61 1twh s MET 605 Cb 0.00 0.15 0.04 0.00 2.84 0.00 0.00 34.83 37.86 1twh s MET 605 CO 0.00 -0.05 0.16 -1.17 -0.65 0.00 0.00 175.02 173.31 1twh s LEU 606 N -0.14 0.74 -0.12 4.11 2.96 -0.51 0.87 118.68 126.60 1twh s LEU 606 Ca -0.03 0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 54.17 1twh s LEU 606 Cb -0.03 0.45 0.05 0.00 0.50 0.00 0.00 46.19 47.16 1twh s LEU 606 CO 0.01 -0.14 0.27 -0.63 -1.32 0.00 0.00 176.35 174.54 1twh s ILE 607 N 1.07 -0.09 -0.01 6.68 1.01 -0.42 -1.91 121.20 127.53 1twh s ILE 607 Ca -0.08 0.16 -0.00 0.00 0.00 0.00 0.00 60.65 60.72 1twh s ILE 607 Cb -0.10 -0.42 0.01 0.00 0.01 0.00 0.00 42.46 41.96 1twh s ILE 607 CO -0.06 0.06 0.01 -0.63 0.00 0.00 0.00 174.94 174.33 1twh s ILE 608 N 1.44 -0.02 -1.48 2.92 -1.09 -0.54 -1.11 121.20 121.32 1twh s ILE 608 Ca -0.08 0.07 -0.19 0.00 -2.23 0.00 0.00 60.65 58.22 1twh s ILE 608 Cb -0.10 -0.04 0.19 0.00 -1.58 0.00 0.00 42.46 40.93 1twh s ILE 608 CO -0.09 0.03 0.46 -0.67 -1.23 0.00 0.00 174.94 173.44 1twh n ASP 609 N 3.42 -1.40 -0.18 3.58 4.64 -1.15 -2.34 116.55 123.11 1twh n ASP 609 Ca -0.17 -0.98 0.00 0.00 -1.38 0.00 0.00 54.79 52.26 1twh n ASP 609 Cb 0.57 -1.25 0.00 0.00 -1.04 0.00 0.00 41.12 39.40 1twh n ASP 609 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1twh n GLY 610 N -0.96 0.60 3.23 0.27 0.00 -0.12 -3.77 105.19 104.43 1twh n GLY 610 Ca 0.09 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 1twh n GLY 610 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1twh s GLN 611 N -4.31 0.39 0.06 1.61 -1.52 -0.99 -4.67 119.66 110.23 1twh s GLN 611 Ca 0.00 0.49 -0.22 0.00 -1.95 0.00 0.00 55.36 53.68 1twh s GLN 611 Cb 0.00 0.17 -0.06 0.00 -0.22 0.00 0.00 33.01 32.90 1twh s GLN 611 CO 0.00 -0.06 0.66 0.42 -0.25 0.00 0.00 175.29 176.06 1twh s ILE 612 N 0.29 4.72 -0.04 1.08 1.01 -1.26 -1.47 121.20 125.53 1twh s ILE 612 Ca -0.01 1.40 -0.06 0.00 0.00 0.00 0.00 60.65 61.98 1twh s ILE 612 Cb -0.03 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1twh s ILE 612 CO -0.01 0.46 -0.14 -0.38 0.00 0.00 0.00 174.94 174.88 1twh n ILE 613 N 2.25 1.10 -3.94 2.92 2.08 -0.80 -4.88 119.36 118.09 1twh n ILE 613 Ca -0.07 0.16 -0.09 0.00 0.56 0.00 0.00 62.75 63.31 1twh n ILE 613 Cb 0.50 -1.81 -0.10 0.00 -0.75 0.00 0.00 39.64 37.49 1twh n ILE 613 CO 0.00 0.00 0.00 0.72 0.56 0.00 0.00 176.55 177.83 1twh s PHE 614 N -2.30 0.21 0.00 1.39 -0.12 -1.15 -4.99 117.98 111.02 1twh s PHE 614 Ca -0.12 -0.49 0.00 0.00 -0.05 0.00 0.00 56.93 56.26 1twh s PHE 614 Cb 0.03 -0.16 0.00 0.00 -0.63 0.00 0.00 43.02 42.26 1twh s PHE 614 CO 0.17 -0.32 0.00 0.41 -0.05 0.00 0.00 175.22 175.44 1twh n GLY 615 N 1.00 2.90 3.79 1.99 0.00 -1.26 -1.43 105.19 112.19 1twh n GLY 615 Ca -0.20 -1.60 -0.36 0.00 0.00 0.00 0.00 46.02 43.86 1twh n GLY 615 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1twh s VAL 616 N -1.26 3.93 -0.36 1.61 1.01 -1.08 -4.95 120.40 119.30 1twh s VAL 616 Ca 0.00 1.40 -0.21 0.00 0.00 0.00 0.00 61.98 63.17 1twh s VAL 616 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1twh s VAL 616 CO 0.00 -0.07 0.65 -0.69 0.00 0.00 0.00 175.10 174.99 1twh s VAL 617 N -1.79 4.87 0.00 2.92 1.01 -1.26 -4.81 120.40 121.34 1twh s VAL 617 Ca 0.59 0.56 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1twh s VAL 617 Cb -0.18 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1twh s VAL 617 CO 0.23 -0.35 0.00 -1.84 0.00 0.00 0.00 175.10 173.14 1twh n GLU 618 N 6.09 1.00 0.20 2.72 -0.00 -1.26 -2.62 120.64 126.76 1twh n GLU 618 Ca -0.01 0.00 0.07 0.00 -0.00 0.00 0.00 57.16 57.22 1twh n GLU 618 Cb 0.48 0.00 0.58 0.00 -0.00 0.00 0.00 31.44 32.51 1twh n GLU 618 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1twh h LYS 619 N 0.00 0.13 -0.65 3.44 3.64 -1.82 0.00 116.57 121.31 1twh h LYS 619 Ca 0.00 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.45 1twh h LYS 619 Cb 0.00 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.73 1twh h LYS 619 CO 0.00 0.10 0.32 0.87 -2.27 0.00 0.00 179.45 178.47 1twh h LYS 620 N 0.13 0.55 -0.05 1.90 1.57 -1.94 0.36 116.57 119.10 1twh h LYS 620 Ca 0.03 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.61 1twh h LYS 620 Cb 0.00 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.20 1twh h LYS 620 CO -0.01 0.37 -0.62 1.15 -0.57 0.00 0.00 179.45 179.77 1twh h THR 621 N 0.57 1.38 -0.00 -0.16 2.02 -1.37 -3.39 112.91 111.95 1twh h THR 621 Ca 0.31 -1.99 0.00 0.00 0.77 0.00 0.00 66.41 65.50 1twh h THR 621 Cb 0.30 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1twh h THR 621 CO -0.24 0.59 -0.00 0.55 0.37 0.00 0.00 175.52 176.79 1twh n VAL 622 N -4.17 0.00 -0.13 3.16 3.14 -0.97 -0.75 118.33 118.61 1twh n VAL 622 Ca -0.09 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.79 1twh n VAL 622 Cb 0.67 1.03 0.00 0.00 -1.06 0.00 0.00 33.84 34.48 1twh n VAL 622 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1twh n GLY 623 N 0.12 -1.16 2.67 7.55 0.00 0.11 -2.40 105.19 112.09 1twh n GLY 623 Ca 0.01 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 1twh n GLY 623 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1twh n SER 624 N -0.46 7.23 -4.60 1.61 3.41 -1.26 -4.64 113.62 114.91 1twh n SER 624 Ca 0.00 -3.47 -0.32 0.00 -0.26 0.00 0.00 58.87 54.83 1twh n SER 624 Cb 0.00 -1.26 -0.10 0.00 -0.26 0.00 0.00 64.21 62.59 1twh n SER 624 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1twh s SER 625 N -0.84 4.62 -0.29 4.04 1.04 -1.26 -4.52 113.70 116.49 1twh s SER 625 Ca 0.42 -0.18 -0.29 0.00 0.48 0.00 0.00 55.95 56.38 1twh s SER 625 Cb 0.16 -1.05 -0.02 0.00 0.10 0.00 0.00 66.02 65.20 1twh s SER 625 CO -0.07 0.26 1.79 0.21 0.98 0.00 0.00 173.24 176.41 1twh s ASN 626 N -1.58 5.99 0.00 7.02 3.84 -1.26 -2.21 114.94 126.74 1twh s ASN 626 Ca 0.18 1.44 0.00 0.00 0.21 0.00 0.00 52.86 54.70 1twh s ASN 626 Cb -0.11 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.06 1twh s ASN 626 CO 0.09 -1.61 0.00 0.61 -2.79 0.00 0.00 177.10 173.40 1twh n GLY 627 N 5.27 0.44 1.17 1.21 0.00 -1.26 -5.04 105.19 106.98 1twh n GLY 627 Ca 0.22 -0.98 -0.07 0.00 0.00 0.00 0.00 46.02 45.20 1twh n GLY 627 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1twh n GLY 628 N -2.56 0.71 0.36 -0.02 0.00 -0.94 -4.80 105.19 97.94 1twh n GLY 628 Ca 0.00 -1.98 0.10 0.00 0.00 0.00 0.00 46.02 44.14 1twh n GLY 628 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1twh h LEU 629 N 0.00 0.56 0.19 0.99 5.85 -1.21 0.32 115.31 122.00 1twh h LEU 629 Ca -0.10 0.01 -0.28 0.00 0.84 0.00 0.00 57.88 58.36 1twh h LEU 629 Cb 0.37 -0.10 0.03 0.00 0.37 0.00 0.00 40.66 41.33 1twh h LEU 629 CO 0.11 0.34 -1.19 0.40 -0.34 0.00 0.00 178.44 177.75 1twh h ILE 630 N 0.62 1.36 -0.34 4.05 5.03 -1.84 0.19 117.51 126.58 1twh h ILE 630 Ca 0.33 -2.58 -0.01 0.00 -0.12 0.00 0.00 64.86 62.48 1twh h ILE 630 Cb 0.46 3.03 -0.02 0.00 -3.03 0.00 0.00 36.82 37.26 1twh h ILE 630 CO -0.11 0.76 0.18 -0.74 -0.68 0.00 0.00 178.15 177.55 1twh h HIS 631 N -0.01 0.45 -0.06 1.37 2.76 -1.50 -0.33 115.15 117.83 1twh h HIS 631 Ca -0.20 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.95 1twh h HIS 631 Cb 1.93 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 30.74 1twh h HIS 631 CO 0.15 0.32 -0.02 0.28 -1.30 0.00 0.00 177.93 177.36 1twh h VAL 632 N 0.47 1.31 0.00 5.26 2.07 -0.12 -1.59 116.25 123.65 1twh h VAL 632 Ca 0.12 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.61 1twh h VAL 632 Cb 0.03 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1twh h VAL 632 CO -0.02 0.27 -0.25 0.58 0.02 0.00 0.00 177.57 178.17 1twh h VAL 633 N -0.25 0.57 -0.11 2.57 2.07 -0.78 -0.74 116.25 119.58 1twh h VAL 633 Ca 0.01 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 1twh h VAL 633 Cb 0.44 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1twh h VAL 633 CO 0.01 0.24 0.02 0.74 0.02 0.00 0.00 177.57 178.59 1twh h THR 634 N 0.00 1.22 -0.37 2.57 2.02 -0.07 -1.34 112.91 116.94 1twh h THR 634 Ca -0.00 -0.69 -0.08 0.00 0.77 0.00 0.00 66.41 66.41 1twh h THR 634 Cb 0.82 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 1twh h THR 634 CO 0.03 0.20 -0.09 0.03 0.37 0.00 0.00 175.52 176.06 1twh h ARG 635 N -0.05 0.63 0.00 6.66 2.47 -1.05 0.61 114.38 123.64 1twh h ARG 635 Ca 0.03 -0.18 -0.17 0.00 -1.26 0.00 0.00 59.98 58.40 1twh h ARG 635 Cb 0.30 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.52 1twh h ARG 635 CO 0.00 0.71 -1.36 1.49 0.56 0.00 0.00 179.97 181.37 1twh h GLU 636 N 0.58 0.00 0.00 0.04 4.57 -0.85 -3.37 114.58 115.55 1twh h GLU 636 Ca 0.11 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1twh h GLU 636 Cb 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1twh h GLU 636 CO 0.03 0.31 0.00 1.63 -1.18 0.00 0.00 179.01 179.80 1twh n LYS 637 N -2.92 3.78 0.00 1.92 4.76 -0.53 -5.08 118.16 120.09 1twh n LYS 637 Ca -0.09 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 1twh n LYS 637 Cb 0.84 -0.49 0.00 0.00 -1.84 0.00 0.00 35.03 33.54 1twh n LYS 637 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1twh n GLY 638 N 0.56 2.41 0.32 0.72 0.00 0.21 -4.51 105.19 104.90 1twh n GLY 638 Ca 0.00 -1.77 0.05 0.00 0.00 0.00 0.00 46.02 44.31 1twh n GLY 638 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1twh h PRO 639 N 0.00 0.75 -0.08 1.61 0.13 -1.88 -1.97 132.00 130.57 1twh h PRO 639 Ca 0.00 -0.04 -0.18 0.00 -0.87 0.00 0.00 66.00 64.90 1twh h PRO 639 Cb 0.00 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 30.96 1twh h PRO 639 CO 0.00 0.49 -0.73 1.96 -0.23 0.00 0.00 178.00 179.50 1twh h GLN 640 N 0.77 0.40 -0.17 0.86 1.08 -1.92 0.70 115.11 116.83 1twh h GLN 640 Ca 0.44 -0.33 -0.16 0.00 -1.45 0.00 0.00 58.65 57.15 1twh h GLN 640 Cb 0.50 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 1twh h GLN 640 CO -0.29 0.97 -0.56 0.28 -0.95 0.00 0.00 178.83 178.28 1twh h VAL 641 N 0.27 1.33 -0.64 -0.54 2.07 -1.71 -2.73 116.25 114.30 1twh h VAL 641 Ca -0.03 -1.82 -0.04 0.00 0.82 0.00 0.00 66.70 65.63 1twh h VAL 641 Cb 1.30 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.84 1twh h VAL 641 CO 0.13 0.56 0.22 0.00 0.02 0.00 0.00 177.57 178.50 1twh h ALA 643 N 1.31 0.73 -0.71 0.00 0.00 -0.62 -2.68 119.26 117.28 1twh h ALA 643 Ca 0.21 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1twh h ALA 643 Cb 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1twh h ALA 643 CO -0.01 0.84 0.43 0.87 0.00 0.00 0.00 179.25 181.38 1twh h LYS 644 N 0.10 0.97 -0.72 0.00 1.79 -1.17 -2.95 116.57 114.58 1twh h LYS 644 Ca -0.02 -0.08 0.09 0.00 -2.18 0.00 0.00 60.65 58.46 1twh h LYS 644 Cb 1.29 -0.20 -0.07 0.00 -1.58 0.00 0.00 32.23 31.67 1twh h LYS 644 CO 0.11 0.68 0.37 1.25 -1.08 0.00 0.00 179.45 180.77 1twh h LEU 645 N 0.98 0.48 0.05 2.94 5.85 -1.22 0.26 115.31 124.66 1twh h LEU 645 Ca 0.26 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 1twh h LEU 645 Cb -0.03 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1twh h LEU 645 CO -0.05 0.28 -0.02 -0.26 -0.34 0.00 0.00 178.44 178.05 1twh h PHE 646 N 0.62 -0.06 0.00 1.25 -1.00 -1.47 -0.46 116.94 115.83 1twh h PHE 646 Ca 0.35 -0.00 -0.09 0.00 2.81 0.00 0.00 57.97 61.04 1twh h PHE 646 Cb 0.36 0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 1twh h PHE 646 CO -0.10 0.04 -0.43 0.78 -1.61 0.00 0.00 178.31 176.98 1twh h GLY 647 N -0.14 0.00 1.70 -1.45 0.00 -1.30 -1.65 103.07 100.24 1twh h GLY 647 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 1twh h GLY 647 CO 0.01 0.00 0.01 3.43 0.00 0.00 0.00 176.54 179.99 1twh h ASN 648 N 0.00 0.35 0.29 0.19 4.21 -0.62 -1.98 115.58 118.02 1twh h ASN 648 Ca -0.00 -0.05 -0.19 0.00 1.21 0.00 0.00 56.30 57.26 1twh h ASN 648 Cb 0.85 -0.09 -0.00 0.00 -1.12 0.00 0.00 38.32 37.96 1twh h ASN 648 CO 0.06 0.40 -0.78 0.40 -1.29 0.00 0.00 177.43 176.21 1twh h ILE 649 N 0.37 1.39 0.21 2.81 1.08 -0.76 -2.77 117.51 119.84 1twh h ILE 649 Ca 0.09 -2.24 -0.32 0.00 -0.39 0.00 0.00 64.86 62.00 1twh h ILE 649 Cb 0.23 2.20 0.03 0.00 -3.07 0.00 0.00 36.82 36.22 1twh h ILE 649 CO 0.00 0.67 -1.41 1.56 -0.69 0.00 0.00 178.15 178.29 1twh h GLN 650 N 0.26 0.53 -0.93 2.37 4.20 -0.97 -0.94 115.11 119.63 1twh h GLN 650 Ca -0.04 -0.86 0.25 0.00 0.06 0.00 0.00 58.65 58.06 1twh h GLN 650 Cb 1.38 0.31 -0.14 0.00 0.30 0.00 0.00 27.48 29.33 1twh h GLN 650 CO 0.13 1.41 0.41 0.87 -0.67 0.00 0.00 178.83 180.98 1twh h LYS 651 N 0.17 0.33 0.01 1.46 1.57 -1.39 -0.04 116.57 118.69 1twh h LYS 651 Ca -0.23 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1twh h LYS 651 Cb 2.10 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.33 1twh h LYS 651 CO 0.26 0.22 -0.01 0.28 -0.57 0.00 0.00 179.45 179.64 1twh h VAL 652 N 0.34 1.54 -0.03 0.50 2.07 -1.35 -2.73 116.25 116.59 1twh h VAL 652 Ca 0.61 -1.88 -0.23 0.00 0.82 0.00 0.00 66.70 66.01 1twh h VAL 652 Cb 1.25 2.78 0.01 0.00 -1.52 0.00 0.00 31.29 33.81 1twh h VAL 652 CO -0.58 0.47 -0.93 0.58 0.02 0.00 0.00 177.57 177.13 1twh h VAL 653 N -0.86 1.35 -0.16 2.57 2.07 -1.12 -2.14 116.25 117.96 1twh h VAL 653 Ca -0.00 -2.29 -0.10 0.00 0.82 0.00 0.00 66.70 65.13 1twh h VAL 653 Cb 0.79 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1twh h VAL 653 CO 0.00 0.70 -0.29 0.78 0.02 0.00 0.00 177.57 178.77 1twh h ASN 654 N 0.32 0.54 -0.91 0.57 2.35 -1.08 0.64 115.58 118.01 1twh h ASN 654 Ca -0.09 -0.54 0.16 0.00 -0.55 0.00 0.00 56.30 55.28 1twh h ASN 654 Cb 1.56 -0.16 -0.16 0.00 0.05 0.00 0.00 38.32 39.61 1twh h ASN 654 CO 0.17 0.98 -0.29 0.33 -1.65 0.00 0.00 177.43 176.97 1twh n PHE 655 N -4.38 0.17 0.25 1.19 7.35 -1.03 -0.59 117.46 120.43 1twh n PHE 655 Ca -0.06 1.12 0.09 0.00 -0.76 0.00 0.00 57.45 57.83 1twh n PHE 655 Cb 0.47 -0.93 0.63 0.00 0.35 0.00 0.00 39.48 39.99 1twh n PHE 655 CO 0.00 0.00 0.00 2.35 -0.76 0.00 0.00 176.76 178.35 1twh h TRP 656 N 0.00 0.00 0.00 -5.13 7.01 -0.75 -1.99 115.95 115.09 1twh h TRP 656 Ca 0.38 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 61.30 1twh h TRP 656 Cb 0.60 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.65 1twh h TRP 656 CO -0.75 0.12 -0.63 1.25 -2.79 0.00 0.00 178.44 175.64 1twh h LEU 657 N 0.00 0.00 -0.10 0.65 5.85 0.29 -2.61 115.31 119.39 1twh h LEU 657 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1twh h LEU 657 Cb 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1twh h LEU 657 CO 0.02 0.32 0.00 -0.11 -0.34 0.00 0.00 178.44 178.33 1twh n LEU 658 N -3.05 0.19 0.00 2.25 7.94 0.25 0.37 117.00 124.95 1twh n LEU 658 Ca 0.00 0.53 0.00 0.00 -1.11 0.00 0.00 56.01 55.43 1twh n LEU 658 Cb 0.68 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 44.14 1twh n LEU 658 CO 0.39 -0.20 0.35 1.41 -1.11 0.00 0.00 177.39 178.23 1twh n HIS 659 N -1.70 0.00 -0.08 1.96 8.25 -1.21 -4.44 115.22 118.01 1twh n HIS 659 Ca 0.05 -0.23 -0.10 0.00 -0.26 0.00 0.00 57.72 57.17 1twh n HIS 659 Cb 0.27 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.28 1twh n HIS 659 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1twh n ASN 660 N -0.23 2.73 0.00 0.41 5.15 -0.97 -5.11 115.26 117.24 1twh n ASN 660 Ca 0.00 -0.08 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 1twh n ASN 660 Cb 0.18 -0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.28 1twh n ASN 660 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1twh n GLY 661 N 2.72 0.69 3.54 8.20 0.00 0.16 -5.08 105.19 115.42 1twh n GLY 661 Ca -0.27 -1.58 -0.16 0.00 0.00 0.00 0.00 46.02 44.02 1twh n GLY 661 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1twh s PHE 662 N -2.35 -0.68 0.23 1.61 5.36 -1.26 -5.01 117.98 115.88 1twh s PHE 662 Ca 0.00 1.44 -0.03 0.00 -0.96 0.00 0.00 56.93 57.38 1twh s PHE 662 Cb 0.00 0.32 0.01 0.00 -0.34 0.00 0.00 43.02 43.02 1twh s PHE 662 CO 0.00 -0.48 0.36 0.45 -1.46 0.00 0.00 175.22 174.09 1twh n SER 663 N 1.80 -1.03 -3.69 6.13 2.88 -1.26 -5.17 113.62 113.28 1twh n SER 663 Ca -0.17 -2.18 -0.14 0.00 -1.33 0.00 0.00 58.87 55.05 1twh n SER 663 Cb 0.56 1.85 -0.07 0.00 -0.75 0.00 0.00 64.21 65.80 1twh n SER 663 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1twh s THR 664 N -2.62 0.05 0.35 2.46 -4.23 -1.26 -4.80 115.64 105.58 1twh s THR 664 Ca 0.17 -0.40 -0.02 0.00 -1.18 0.00 0.00 61.69 60.26 1twh s THR 664 Cb -0.01 -0.81 0.00 0.00 1.34 0.00 0.00 72.50 73.02 1twh s THR 664 CO 0.12 -0.22 0.47 -0.83 -0.54 0.00 0.00 174.62 173.63 1twh s GLY 665 N -1.56 1.52 0.52 3.99 0.00 -1.26 -5.01 107.32 105.52 1twh s GLY 665 Ca -0.10 -1.54 0.29 0.00 0.00 0.00 0.00 44.72 43.37 1twh s GLY 665 CO 0.03 -1.01 2.04 1.19 0.00 0.00 0.00 173.10 175.35 1twh h ILE 666 N 2.10 0.47 -0.50 0.90 2.10 -2.02 -2.33 117.51 118.23 1twh h ILE 666 Ca -0.28 -0.60 0.04 0.00 1.08 0.00 0.00 64.86 65.09 1twh h ILE 666 Cb 1.24 1.41 -0.03 0.00 -1.09 0.00 0.00 36.82 38.36 1twh h ILE 666 CO 0.39 0.12 0.33 1.23 -1.08 0.00 0.00 178.15 179.13 1twh h GLY 667 N 1.13 0.62 1.06 8.18 0.00 -1.97 -1.94 103.07 110.15 1twh h GLY 667 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1twh h GLY 667 CO 0.02 0.18 0.00 1.22 0.00 0.00 0.00 176.54 177.96 1twh n ASP 668 N -4.47 0.00 -0.92 0.19 8.00 -0.88 -1.81 116.55 116.66 1twh n ASP 668 Ca 0.06 -0.70 0.12 0.00 0.71 0.00 0.00 54.79 54.97 1twh n ASP 668 Cb 0.17 -0.03 0.09 0.00 -0.02 0.00 0.00 41.12 41.33 1twh n ASP 668 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1twh n THR 669 N -1.03 0.00 -2.97 -3.53 -2.24 -0.73 -4.75 114.28 99.03 1twh n THR 669 Ca 0.18 -0.49 -0.41 0.00 -2.27 0.00 0.00 64.05 61.06 1twh n THR 669 Cb 0.10 1.48 -0.04 0.00 -2.10 0.00 0.00 70.33 69.76 1twh n THR 669 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1twh s ILE 670 N -1.96 4.95 0.01 2.28 -1.09 -0.75 -4.51 121.20 120.13 1twh s ILE 670 Ca 0.27 1.52 -0.02 0.00 -2.23 0.00 0.00 60.65 60.19 1twh s ILE 670 Cb 0.19 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 1twh s ILE 670 CO 0.30 0.11 0.19 0.00 -1.23 0.00 0.00 174.94 174.31 1twh s ALA 671 N 1.66 3.96 0.00 9.38 0.00 -1.26 -5.03 121.76 130.46 1twh s ALA 671 Ca 0.37 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1twh s ALA 671 Cb -0.17 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1twh s ALA 671 CO 0.14 0.77 0.00 -0.25 0.00 0.00 0.00 175.76 176.42 1twh n ASP 672 N 0.77 0.00 -0.26 0.00 9.92 -1.26 -4.65 116.55 121.08 1twh n ASP 672 Ca -0.09 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.11 1twh n ASP 672 Cb 0.52 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 41.06 1twh n ASP 672 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1twh h GLY 673 N 0.00 1.05 1.00 0.44 0.00 -1.98 0.15 103.07 103.72 1twh h GLY 673 Ca 0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 1twh h GLY 673 CO 0.00 0.44 0.07 -0.56 0.00 0.00 0.00 176.54 176.48 1twh h PRO 674 N 0.98 0.86 -0.75 4.80 0.13 -2.00 -3.00 132.00 133.01 1twh h PRO 674 Ca 0.25 -0.24 0.14 0.00 -0.87 0.00 0.00 66.00 65.28 1twh h PRO 674 Cb -0.00 -0.10 -0.09 0.00 0.13 0.00 0.00 31.00 30.94 1twh h PRO 674 CO -0.04 0.86 0.30 1.15 -0.23 0.00 0.00 178.00 180.04 1twh h THR 675 N 0.74 0.67 0.00 1.56 2.02 -1.68 -2.40 112.91 113.81 1twh h THR 675 Ca 0.15 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 1twh h THR 675 Cb 0.43 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1twh h THR 675 CO 0.01 0.08 -0.17 0.24 0.37 0.00 0.00 175.52 176.06 1twh h MET 676 N 0.45 0.00 0.22 6.66 2.86 -0.86 0.36 114.93 124.62 1twh h MET 676 Ca 0.41 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.72 1twh h MET 676 Cb 0.61 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.30 1twh h MET 676 CO -0.39 0.17 -1.52 0.00 1.06 0.00 0.00 176.91 176.22 1twh h ARG 677 N 0.00 0.47 -0.79 1.72 3.08 -1.38 -1.01 114.38 116.47 1twh h ARG 677 Ca -0.00 -0.80 0.11 0.00 0.07 0.00 0.00 59.98 59.36 1twh h ARG 677 Cb 0.39 0.30 -0.08 0.00 0.08 0.00 0.00 29.97 30.65 1twh h ARG 677 CO 0.02 1.37 0.42 1.49 -1.07 0.00 0.00 179.97 182.20 1twh h GLU 678 N 0.13 0.65 -0.02 0.04 4.81 -1.21 0.41 114.58 119.39 1twh h GLU 678 Ca -0.26 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1twh h GLU 678 Cb 2.13 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 31.36 1twh h GLU 678 CO 0.24 0.43 0.01 0.82 -0.73 0.00 0.00 179.01 179.79 1twh h ILE 679 N 0.67 1.09 0.00 2.32 2.04 -0.83 -1.10 117.51 121.70 1twh h ILE 679 Ca 0.40 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.94 1twh h ILE 679 Cb 0.44 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1twh h ILE 679 CO -0.29 0.07 -0.22 0.74 0.00 0.00 0.00 178.15 178.46 1twh h THR 680 N -0.08 1.09 -0.19 -0.27 2.02 -0.71 0.13 112.91 114.90 1twh h THR 680 Ca 0.01 -0.78 -0.17 0.00 0.77 0.00 0.00 66.41 66.24 1twh h THR 680 Cb 0.11 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1twh h THR 680 CO -0.00 0.22 -0.56 -0.33 0.37 0.00 0.00 175.52 175.21 1twh h GLU 681 N 0.00 0.59 -0.53 6.66 3.07 -0.86 0.33 114.58 123.84 1twh h GLU 681 Ca -0.00 -0.38 0.07 0.00 -0.50 0.00 0.00 59.36 58.55 1twh h GLU 681 Cb 0.41 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.33 1twh h GLU 681 CO 0.03 0.99 0.36 1.15 -1.40 0.00 0.00 179.01 180.14 1twh h THR 682 N 0.45 0.95 0.00 1.13 2.02 0.48 0.38 112.91 118.32 1twh h THR 682 Ca 0.01 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1twh h THR 682 Cb 1.12 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1twh h THR 682 CO 0.11 0.08 -0.12 0.40 0.37 0.00 0.00 175.52 176.36 1twh h ILE 683 N 0.43 0.88 -1.24 3.11 5.03 -0.89 -3.23 117.51 121.60 1twh h ILE 683 Ca 0.24 -1.70 0.36 0.00 -0.12 0.00 0.00 64.86 63.64 1twh h ILE 683 Cb 0.39 1.70 -0.05 0.00 -3.03 0.00 0.00 36.82 35.83 1twh h ILE 683 CO -0.06 0.30 0.91 0.00 -0.68 0.00 0.00 178.15 178.61 1twh h ALA 684 N -0.51 3.17 0.00 1.87 0.00 -0.07 0.36 119.26 124.07 1twh h ALA 684 Ca -0.02 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1twh h ALA 684 Cb 0.58 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1twh h ALA 684 CO -0.01 -1.54 -0.55 1.49 0.00 0.00 0.00 179.25 178.63 1twh h GLU 685 N 0.00 0.00 0.17 0.00 4.81 -0.30 -2.89 114.58 116.37 1twh h GLU 685 Ca 0.59 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 59.47 1twh h GLU 685 Cb 2.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.78 1twh h GLU 685 CO -0.01 0.55 -1.80 0.00 -0.73 0.00 0.00 179.01 177.03 1twh h ALA 686 N 1.45 0.24 -0.32 2.92 0.00 -0.34 -1.89 119.26 121.32 1twh h ALA 686 Ca -0.01 -1.21 0.09 0.00 0.00 0.00 0.00 54.91 53.79 1twh h ALA 686 Cb 1.26 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1twh h ALA 686 CO 0.07 1.11 0.37 0.87 0.00 0.00 0.00 179.25 181.67 1twh h LYS 687 N 0.10 0.00 0.14 0.00 1.57 -1.19 -2.19 116.57 114.99 1twh h LYS 687 Ca -0.36 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.23 1twh h LYS 687 Cb 2.08 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.41 1twh h LYS 687 CO 0.15 0.00 -0.84 -0.22 -0.57 0.00 0.00 179.45 177.97 1twh h LYS 688 N 0.00 0.33 -0.90 3.15 3.64 -1.28 -0.68 116.57 120.84 1twh h LYS 688 Ca 0.15 -0.54 0.11 0.00 -1.27 0.00 0.00 60.65 59.11 1twh h LYS 688 Cb 0.88 0.20 -0.08 0.00 -0.41 0.00 0.00 32.23 32.82 1twh h LYS 688 CO -0.00 1.25 0.53 0.87 -2.27 0.00 0.00 179.45 179.82 1twh h LYS 689 N -0.30 0.81 -0.35 1.90 1.57 -0.74 0.46 116.57 119.92 1twh h LYS 689 Ca -0.14 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1twh h LYS 689 Cb 1.65 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.76 1twh h LYS 689 CO 0.16 0.54 0.19 0.28 -0.57 0.00 0.00 179.45 180.05 1twh h VAL 690 N 0.84 1.14 -0.20 0.50 2.07 -1.44 -1.97 116.25 117.19 1twh h VAL 690 Ca 0.45 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 1twh h VAL 690 Cb 0.47 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1twh h VAL 690 CO -0.28 0.14 -0.21 0.25 0.02 0.00 0.00 177.57 177.49 1twh h LEU 691 N 0.44 0.35 -0.42 2.57 5.85 0.14 -1.30 115.31 122.94 1twh h LEU 691 Ca 0.12 -0.10 -0.14 0.00 0.84 0.00 0.00 57.88 58.61 1twh h LEU 691 Cb 0.06 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1twh h LEU 691 CO -0.02 0.58 -0.65 0.44 -0.34 0.00 0.00 178.44 178.45 1twh h ASP 692 N 0.32 0.00 1.15 1.25 3.32 -0.31 -0.85 116.42 121.31 1twh h ASP 692 Ca 0.05 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1twh h ASP 692 Cb 0.56 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1twh h ASP 692 CO 0.04 0.65 -0.24 0.58 -1.72 0.00 0.00 179.24 178.54 1twh h VAL 693 N 0.00 0.53 0.62 -1.35 2.07 -0.79 0.30 116.25 117.64 1twh h VAL 693 Ca -0.01 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.19 1twh h VAL 693 Cb 1.31 1.90 0.01 0.00 -1.52 0.00 0.00 31.29 32.99 1twh h VAL 693 CO 0.08 0.24 -0.30 0.74 0.02 0.00 0.00 177.57 178.35 1twh h THR 694 N 0.00 0.00 -0.96 2.57 2.02 -0.04 -1.23 112.91 115.27 1twh h THR 694 Ca -0.00 -0.07 0.08 0.00 0.77 0.00 0.00 66.41 67.19 1twh h THR 694 Cb 0.88 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.23 1twh h THR 694 CO 0.03 0.00 0.62 0.11 0.37 0.00 0.00 175.52 176.65 1twh h LYS 695 N -0.90 1.01 0.61 6.66 1.57 -1.23 1.03 116.57 125.31 1twh h LYS 695 Ca -0.09 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1twh h LYS 695 Cb 0.64 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1twh h LYS 695 CO 0.14 0.67 -0.44 1.49 -0.57 0.00 0.00 179.45 180.74 1twh h GLU 696 N 1.04 -0.97 0.00 3.15 4.81 -0.96 0.12 114.58 121.78 1twh h GLU 696 Ca 0.43 0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.72 1twh h GLU 696 Cb 0.29 0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 1twh h GLU 696 CO -0.18 -0.64 -0.03 0.00 -0.73 0.00 0.00 179.01 177.42 1twh h ALA 697 N -1.17 1.57 0.00 2.92 0.00 0.11 0.18 119.26 122.87 1twh h ALA 697 Ca -0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1twh h ALA 697 Cb 0.83 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1twh h ALA 697 CO 0.04 0.04 -0.08 1.96 0.00 0.00 0.00 179.25 181.21 1twh h GLN 698 N 0.00 0.00 -0.50 0.00 4.20 0.17 -2.79 115.11 116.19 1twh h GLN 698 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1twh h GLN 698 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1twh h GLN 698 CO 0.00 0.08 0.00 0.00 -0.67 0.00 0.00 178.83 178.24 1twh n ALA 699 N -2.14 2.42 -2.41 3.87 0.00 0.62 -4.89 120.51 117.98 1twh n ALA 699 Ca 0.01 -0.98 -0.08 0.00 0.00 0.00 0.00 53.44 52.38 1twh n ALA 699 Cb 0.37 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 18.88 1twh n ALA 699 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1twh n ASN 700 N 1.22 -3.15 -0.43 0.00 5.15 -1.05 -4.90 115.26 112.10 1twh n ASN 700 Ca 0.20 -0.07 0.06 0.00 -0.60 0.00 0.00 54.58 54.16 1twh n ASN 700 Cb 0.51 -2.21 0.04 0.00 -0.53 0.00 0.00 39.78 37.60 1twh n ASN 700 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1twh n LEU 701 N -1.51 1.85 -4.82 1.20 4.77 -1.15 -4.95 117.00 112.39 1twh n LEU 701 Ca -0.06 -0.95 -0.37 0.00 -0.03 0.00 0.00 56.01 54.60 1twh n LEU 701 Cb 0.56 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.59 1twh n LEU 701 CO 0.16 0.35 0.36 -0.22 -1.33 0.00 0.00 177.39 176.71 1twh s LEU 702 N -1.12 4.40 0.01 2.23 2.96 -1.26 -4.96 118.68 120.95 1twh s LEU 702 Ca 0.13 1.35 -0.08 0.00 -0.22 0.00 0.00 54.13 55.31 1twh s LEU 702 Cb 0.10 -3.36 -0.05 0.00 0.50 0.00 0.00 46.19 43.37 1twh s LEU 702 CO 0.17 0.11 0.28 -0.89 -1.32 0.00 0.00 176.35 174.71 1twh s THR 703 N -1.40 5.27 0.50 3.68 2.01 -1.26 -5.02 115.64 119.43 1twh s THR 703 Ca 0.39 0.25 -0.09 0.00 0.31 0.00 0.00 61.69 62.55 1twh s THR 703 Cb -0.18 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 1twh s THR 703 CO 0.21 0.39 0.86 0.00 -0.69 0.00 0.00 174.62 175.38 1twh s ALA 704 N -1.27 3.29 -0.51 7.40 0.00 -1.26 -5.01 121.76 124.39 1twh s ALA 704 Ca 0.27 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.97 1twh s ALA 704 Cb -0.13 -2.77 0.15 0.00 0.00 0.00 0.00 23.12 20.36 1twh s ALA 704 CO 0.15 -0.35 0.31 0.21 0.00 0.00 0.00 175.76 176.09 1twh s LYS 705 N -4.60 1.63 0.00 0.00 2.47 -1.26 -4.94 119.74 113.04 1twh s LYS 705 Ca 0.51 -2.43 0.00 0.00 -1.56 0.00 0.00 55.97 52.48 1twh s LYS 705 Cb -0.10 -2.64 0.00 0.00 -1.46 0.00 0.00 37.83 33.63 1twh s LYS 705 CO 0.43 -1.21 0.00 1.58 0.16 0.00 0.00 175.35 176.31 1twh n HIS 706 N 3.02 0.00 0.00 4.03 -0.00 -1.26 -4.44 115.22 116.56 1twh n HIS 706 Ca 0.13 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.31 1twh n HIS 706 Cb 0.36 -1.10 0.00 0.00 -0.12 0.00 0.00 29.99 29.13 1twh n HIS 706 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1twh n GLY 707 N 0.88 0.00 2.94 1.57 0.00 -1.26 -4.92 105.19 104.40 1twh n GLY 707 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1twh n GLY 707 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1twh s MET 708 N 0.00 0.10 0.87 1.61 0.00 -1.26 -5.02 119.30 115.61 1twh s MET 708 Ca 0.00 0.31 -0.11 0.00 0.00 0.00 0.00 55.69 55.89 1twh s MET 708 Cb 0.00 -0.11 0.12 0.00 0.00 0.00 0.00 34.83 34.83 1twh s MET 708 CO 0.00 -0.12 1.09 0.99 0.00 0.00 0.00 175.02 176.98 1twh s THR 709 N 0.86 2.78 0.07 10.11 2.01 -1.26 -4.29 115.64 125.93 1twh s THR 709 Ca -0.07 0.25 -0.20 0.00 0.31 0.00 0.00 61.69 61.98 1twh s THR 709 Cb -0.09 -2.69 -0.11 0.00 0.01 0.00 0.00 72.50 69.63 1twh s THR 709 CO -0.04 -0.33 1.54 -0.07 -0.69 0.00 0.00 174.62 175.02 1twh h LEU 710 N -1.49 0.29 -1.26 4.42 4.07 -1.96 0.20 115.31 119.57 1twh h LEU 710 Ca -0.48 -0.27 -0.08 0.00 0.08 0.00 0.00 57.88 57.14 1twh h LEU 710 Cb 1.27 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.92 1twh h LEU 710 CO 0.53 0.48 -0.34 0.03 -1.08 0.00 0.00 178.44 178.06 1twh h ARG 711 N 0.08 0.06 -0.72 1.13 3.08 -1.99 -0.09 114.38 115.93 1twh h ARG 711 Ca 0.05 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1twh h ARG 711 Cb 0.32 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 1twh h ARG 711 CO 0.00 0.39 0.36 0.93 -1.07 0.00 0.00 179.97 180.58 1twh h GLU 712 N 0.05 1.02 -0.55 0.04 5.08 -1.81 -2.22 114.58 116.20 1twh h GLU 712 Ca 0.01 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 1twh h GLU 712 Cb 0.62 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1twh h GLU 712 CO 0.05 0.78 -0.02 0.77 -1.00 0.00 0.00 179.01 179.58 1twh h SER 713 N 1.02 0.94 -0.63 1.42 0.02 0.11 -1.31 113.55 115.12 1twh h SER 713 Ca 0.25 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1twh h SER 713 Cb 0.08 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 1twh h SER 713 CO -0.03 1.01 0.30 0.15 -1.14 0.00 0.00 176.83 177.12 1twh h PHE 714 N 0.88 0.91 0.10 3.45 3.57 -0.89 -2.72 116.94 122.23 1twh h PHE 714 Ca 0.16 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1twh h PHE 714 Cb 0.55 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1twh h PHE 714 CO 0.03 0.68 -0.05 0.93 -2.23 0.00 0.00 178.31 177.68 1twh h GLU 715 N 0.87 -0.13 -1.04 1.11 4.39 -1.14 -2.03 114.58 116.61 1twh h GLU 715 Ca 0.22 0.01 0.28 0.00 0.34 0.00 0.00 59.36 60.21 1twh h GLU 715 Cb 0.11 0.03 -0.12 0.00 -0.10 0.00 0.00 28.75 28.68 1twh h GLU 715 CO -0.03 0.17 0.64 0.22 -1.16 0.00 0.00 179.01 178.85 1twh h ASP 716 N -0.43 0.53 -0.24 1.42 -0.00 -1.27 -0.57 116.42 115.87 1twh h ASP 716 Ca -0.01 0.13 -0.16 0.00 -0.00 0.00 0.00 57.03 56.98 1twh h ASP 716 Cb 0.35 0.05 -0.00 0.00 -0.00 0.00 0.00 39.33 39.73 1twh h ASP 716 CO 0.02 0.04 -0.47 0.78 -0.00 0.00 0.00 179.24 179.61 1twh h ASN 717 N 0.43 0.88 1.47 2.28 2.35 -1.06 -2.65 115.58 119.29 1twh h ASN 717 Ca 0.66 -0.43 -0.10 0.00 -0.55 0.00 0.00 56.30 55.87 1twh h ASN 717 Cb 1.50 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.61 1twh h ASN 717 CO -0.43 1.20 -0.54 0.58 -1.65 0.00 0.00 177.43 176.60 1twh h VAL 718 N 0.64 0.79 0.00 2.81 2.07 -0.75 -1.56 116.25 120.25 1twh h VAL 718 Ca 0.03 -2.13 -0.17 0.00 0.82 0.00 0.00 66.70 65.26 1twh h VAL 718 Cb 1.04 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 33.16 1twh h VAL 718 CO 0.10 0.45 -0.79 0.58 0.02 0.00 0.00 177.57 177.93 1twh h VAL 719 N 0.00 1.37 -0.07 2.57 2.07 -1.14 -1.70 116.25 119.35 1twh h VAL 719 Ca -0.01 -2.91 -0.00 0.00 0.82 0.00 0.00 66.70 64.60 1twh h VAL 719 Cb 1.37 2.66 -0.00 0.00 -1.52 0.00 0.00 31.29 33.80 1twh h VAL 719 CO 0.06 0.77 0.03 -0.09 0.02 0.00 0.00 177.57 178.37 1twh h ARG 720 N 0.00 0.10 -0.88 1.57 2.43 -1.19 -0.84 114.38 115.56 1twh h ARG 720 Ca -0.01 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.23 1twh h ARG 720 Cb 1.60 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 31.07 1twh h ARG 720 CO 0.10 0.19 0.57 0.74 -1.51 0.00 0.00 179.97 180.06 1twh h PHE 721 N -0.02 0.98 0.00 2.20 0.05 -1.04 0.20 116.94 119.32 1twh h PHE 721 Ca 0.02 0.03 -0.26 0.00 3.82 0.00 0.00 57.97 61.58 1twh h PHE 721 Cb 0.12 -0.32 -0.04 0.00 2.00 0.00 0.00 35.95 37.71 1twh h PHE 721 CO -0.03 0.48 -1.40 -0.07 -0.18 0.00 0.00 178.31 177.11 1twh h LEU 722 N 0.93 0.01 -0.06 1.54 3.38 -1.03 -0.69 115.31 119.40 1twh h LEU 722 Ca 0.40 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.31 1twh h LEU 722 Cb 0.31 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1twh h LEU 722 CO -0.16 1.01 -0.19 0.78 0.09 0.00 0.00 178.44 179.97 1twh h ASN 723 N 0.00 0.00 0.71 -0.43 2.35 -0.46 -2.03 115.58 115.72 1twh h ASN 723 Ca -0.17 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.43 1twh h ASN 723 Cb 1.91 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.26 1twh h ASN 723 CO 0.10 0.19 -0.72 -0.08 -1.65 0.00 0.00 177.43 175.28 1twh h GLU 724 N 0.00 0.01 -0.39 0.81 4.81 -0.27 -0.79 114.58 118.76 1twh h GLU 724 Ca -0.00 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 1twh h GLU 724 Cb 1.13 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1twh h GLU 724 CO 0.02 0.72 -0.30 0.00 -0.73 0.00 0.00 179.01 178.73 1twh h ALA 725 N 1.27 0.56 -0.54 2.92 0.00 -0.41 -1.91 119.26 121.15 1twh h ALA 725 Ca -0.01 -0.42 0.09 0.00 0.00 0.00 0.00 54.91 54.58 1twh h ALA 725 Cb 1.27 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 1twh h ALA 725 CO 0.09 0.60 0.13 -0.09 0.00 0.00 0.00 179.25 179.98 1twh h ARG 726 N 0.70 0.27 -0.20 0.00 2.43 -1.18 0.17 114.38 116.56 1twh h ARG 726 Ca 0.07 -0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 59.04 1twh h ARG 726 Cb 0.88 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1twh h ARG 726 CO 0.08 0.18 -0.63 -0.44 -1.51 0.00 0.00 179.97 177.64 1twh h ASP 727 N 0.27 0.82 -0.56 -3.80 5.19 -0.95 -1.51 116.42 115.88 1twh h ASP 727 Ca 0.28 -0.48 -0.05 0.00 -0.62 0.00 0.00 57.03 56.16 1twh h ASP 727 Cb 0.37 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.62 1twh h ASP 727 CO -0.34 1.25 0.19 0.11 -3.12 0.00 0.00 179.24 177.33 1twh h LYS 728 N 0.53 0.91 0.00 3.56 1.57 -1.02 -0.83 116.57 121.29 1twh h LYS 728 Ca -0.01 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1twh h LYS 728 Cb 1.22 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.39 1twh h LYS 728 CO 0.13 0.78 -0.01 0.00 -0.57 0.00 0.00 179.45 179.78 1twh h ALA 729 N 1.32 1.00 0.06 3.86 0.00 0.37 -0.93 119.26 124.94 1twh h ALA 729 Ca 0.20 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.74 1twh h ALA 729 Cb 0.25 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1twh h ALA 729 CO -0.01 0.01 -2.12 0.41 0.00 0.00 0.00 179.25 177.54 1twh n GLY 730 N -0.03 -0.62 0.36 0.00 0.00 -0.58 -1.69 105.19 102.63 1twh n GLY 730 Ca 0.00 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 45.90 1twh n GLY 730 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1twh h ARG 731 N 0.03 0.64 -0.14 1.61 3.08 -1.06 -2.15 114.38 116.39 1twh h ARG 731 Ca -0.46 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 59.60 1twh h ARG 731 Cb 2.02 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 31.87 1twh h ARG 731 CO 0.03 0.42 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.13 1twh h LEU 732 N 0.66 -0.48 -1.12 3.04 3.38 -0.96 -2.97 115.31 116.86 1twh h LEU 732 Ca 0.34 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.40 1twh h LEU 732 Cb 0.44 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1twh h LEU 732 CO -0.12 -0.20 0.51 0.00 0.09 0.00 0.00 178.44 178.73 1twh h ALA 733 N 0.89 1.35 -0.59 1.53 0.00 -0.76 -3.03 119.26 118.65 1twh h ALA 733 Ca 0.10 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1twh h ALA 733 Cb 0.33 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1twh h ALA 733 CO -0.25 0.57 0.34 1.49 0.00 0.00 0.00 179.25 181.40 1twh h GLU 734 N 1.13 0.64 -0.59 0.00 4.81 -1.25 -1.04 114.58 118.28 1twh h GLU 734 Ca 0.30 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.40 1twh h GLU 734 Cb -0.07 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 1twh h GLU 734 CO -0.06 0.42 -0.00 0.28 -0.73 0.00 0.00 179.01 178.92 1twh h VAL 735 N 0.65 1.26 0.00 0.32 2.07 -1.55 -2.92 116.25 116.09 1twh h VAL 735 Ca 0.25 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1twh h VAL 735 Cb 0.09 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1twh h VAL 735 CO -0.13 0.41 0.00 -3.20 0.02 0.00 0.00 177.57 174.67 1twh n ASN 736 N -4.18 0.00 -4.95 0.57 5.15 -0.42 -4.75 115.26 106.68 1twh n ASN 736 Ca 0.03 0.45 -0.23 0.00 -0.60 0.00 0.00 54.58 54.23 1twh n ASN 736 Cb 0.34 -0.48 -0.00 0.00 -0.53 0.00 0.00 39.78 39.11 1twh n ASN 736 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1twh s LEU 737 N -2.96 3.88 0.37 1.20 1.43 -1.04 -4.85 118.68 116.70 1twh s LEU 737 Ca 0.12 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 1twh s LEU 737 Cb 0.15 -3.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 1twh s LEU 737 CO 0.40 -0.45 0.57 -0.54 0.23 0.00 0.00 176.35 176.57 1twh s LYS 738 N -4.40 3.40 0.22 1.70 1.02 -1.26 -4.90 119.74 115.53 1twh s LYS 738 Ca 0.43 -0.37 0.12 0.00 0.02 0.00 0.00 55.97 56.18 1twh s LYS 738 Cb -0.10 -2.64 0.68 0.00 -0.52 0.00 0.00 37.83 35.25 1twh s LYS 738 CO 0.36 0.06 1.33 -0.25 -0.92 0.00 0.00 175.35 175.93 1twh n ASP 739 N -1.85 0.32 -0.49 2.83 8.00 -1.26 -0.47 116.55 123.64 1twh n ASP 739 Ca -0.03 0.60 0.12 0.00 0.71 0.00 0.00 54.79 56.18 1twh n ASP 739 Cb 0.56 -0.61 0.16 0.00 -0.02 0.00 0.00 41.12 41.22 1twh n ASP 739 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1twh n LEU 740 N -1.93 1.83 -4.68 0.64 -0.00 -1.26 -4.75 117.00 106.84 1twh n LEU 740 Ca -0.01 -0.63 -0.42 0.00 -0.00 0.00 0.00 56.01 54.95 1twh n LEU 740 Cb 0.13 -0.03 -0.03 0.00 -0.00 0.00 0.00 43.42 43.49 1twh n LEU 740 CO 0.06 0.33 1.34 0.21 -0.00 0.00 0.00 177.39 179.33 1twh s ASN 741 N -2.38 6.61 0.31 1.45 3.04 0.38 -4.87 114.94 119.48 1twh s ASN 741 Ca 0.23 2.45 0.11 0.00 0.04 0.00 0.00 52.86 55.69 1twh s ASN 741 Cb 0.19 -2.56 0.51 0.00 -1.54 0.00 0.00 41.25 37.85 1twh s ASN 741 CO 0.50 -0.89 1.71 0.78 -3.04 0.00 0.00 177.10 176.15 1twh h ASN 742 N 8.56 0.03 -0.12 -4.21 2.35 -1.88 0.16 115.58 120.48 1twh h ASN 742 Ca -0.42 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.28 1twh h ASN 742 Cb 1.20 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.55 1twh h ASN 742 CO 0.93 0.52 -0.01 0.58 -1.65 0.00 0.00 177.43 177.81 1twh h VAL 743 N 0.02 1.15 0.11 2.81 2.07 -1.89 -1.92 116.25 118.60 1twh h VAL 743 Ca -0.00 -0.57 -0.29 0.00 0.82 0.00 0.00 66.70 66.66 1twh h VAL 743 Cb 0.89 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1twh h VAL 743 CO 0.07 0.19 -1.43 0.50 0.02 0.00 0.00 177.57 176.91 1twh h LYS 744 N 0.32 0.24 0.00 1.57 3.64 -1.72 -1.65 116.57 118.98 1twh h LYS 744 Ca 0.07 -0.41 -0.06 0.00 -1.27 0.00 0.00 60.65 58.98 1twh h LYS 744 Cb 0.23 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1twh h LYS 744 CO 0.01 1.13 -0.28 1.96 -2.27 0.00 0.00 179.45 179.99 1twh h GLN 745 N 0.07 0.00 -0.00 1.90 4.20 0.05 -1.63 115.11 119.69 1twh h GLN 745 Ca -0.20 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.36 1twh h GLN 745 Cb 2.00 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.79 1twh h GLN 745 CO 0.17 0.28 -0.55 0.52 -0.67 0.00 0.00 178.83 178.58 1twh h MET 746 N 0.00 0.38 -0.48 1.46 2.86 -0.70 -2.59 114.93 115.85 1twh h MET 746 Ca -0.00 -0.40 0.08 0.00 -2.06 0.00 0.00 59.70 57.31 1twh h MET 746 Cb 0.50 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 1twh h MET 746 CO 0.04 1.08 0.33 0.28 1.06 0.00 0.00 176.91 179.69 1twh h VAL 747 N -0.16 0.92 -0.00 -2.22 2.07 -1.06 -0.24 116.25 115.56 1twh h VAL 747 Ca -0.07 -0.11 -0.23 0.00 0.82 0.00 0.00 66.70 67.11 1twh h VAL 747 Cb 1.27 0.57 0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1twh h VAL 747 CO 0.11 0.06 -0.91 0.24 0.02 0.00 0.00 177.57 177.08 1twh h MET 748 N 0.32 0.62 0.00 1.57 2.07 -1.35 -2.66 114.93 115.50 1twh h MET 748 Ca 0.22 -0.67 0.00 0.00 -2.07 0.00 0.00 59.70 57.18 1twh h MET 748 Cb 0.45 0.19 0.00 0.00 -1.87 0.00 0.00 31.60 30.37 1twh h MET 748 CO -0.05 1.26 0.00 0.00 1.07 0.00 0.00 176.91 179.19 1twh h ALA 749 N 0.38 1.00 0.00 6.32 0.00 -1.02 -3.45 119.26 122.48 1twh h ALA 749 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1twh h ALA 749 Cb 1.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1twh h ALA 749 CO 0.18 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.84 1twh n GLY 750 N 0.92 0.58 0.13 0.00 0.00 -0.14 -2.64 105.19 104.04 1twh n GLY 750 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.16 1twh n GLY 750 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1twh h SER 751 N 0.00 0.00 -3.71 1.61 4.64 -1.75 -3.47 113.55 110.88 1twh h SER 751 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1twh h SER 751 Cb 0.00 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 61.85 1twh h SER 751 CO 0.00 0.08 0.35 -0.75 -0.87 0.00 0.00 176.83 175.63 1twh s LYS 752 N -3.28 0.66 0.00 4.77 2.47 -1.25 -4.42 119.74 118.71 1twh s LYS 752 Ca 0.01 0.63 0.00 0.00 -1.56 0.00 0.00 55.97 55.05 1twh s LYS 752 Cb 0.08 0.32 0.00 0.00 -1.46 0.00 0.00 37.83 36.78 1twh s LYS 752 CO 0.77 -0.11 0.00 0.41 0.16 0.00 0.00 175.35 176.58 1twh n GLY 753 N 2.06 -1.55 3.83 5.54 0.00 -1.26 -3.48 105.19 110.32 1twh n GLY 753 Ca -0.13 -1.56 -0.06 0.00 0.00 0.00 0.00 46.02 44.27 1twh n GLY 753 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1twh s SER 754 N -4.30 -0.22 0.27 1.61 1.04 -1.26 -4.62 113.70 106.21 1twh s SER 754 Ca 0.00 -0.57 -0.09 0.00 0.48 0.00 0.00 55.95 55.77 1twh s SER 754 Cb 0.00 0.66 0.41 0.00 0.10 0.00 0.00 66.02 67.19 1twh s SER 754 CO 0.00 -1.22 1.57 0.15 0.98 0.00 0.00 173.24 174.72 1twh h PHE 755 N 2.00 -0.52 -0.43 5.02 3.57 -1.99 -0.48 116.94 124.11 1twh h PHE 755 Ca -0.21 0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 1twh h PHE 755 Cb 1.24 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 40.34 1twh h PHE 755 CO 0.46 -0.40 0.24 0.97 -2.23 0.00 0.00 178.31 177.34 1twh h ILE 756 N -0.00 1.13 -0.17 1.41 6.09 -1.98 0.20 117.51 124.19 1twh h ILE 756 Ca 0.45 -0.33 -0.06 0.00 -1.37 0.00 0.00 64.86 63.54 1twh h ILE 756 Cb 0.68 0.55 -0.00 0.00 0.47 0.00 0.00 36.82 38.52 1twh h ILE 756 CO -0.96 0.14 -0.13 0.78 -3.07 0.00 0.00 178.15 174.91 1twh h ASN 757 N 0.59 0.42 -0.92 2.19 2.35 -1.51 -0.72 115.58 117.99 1twh h ASN 757 Ca 0.15 -0.45 0.24 0.00 -0.55 0.00 0.00 56.30 55.69 1twh h ASN 757 Cb 0.01 -0.12 -0.13 0.00 0.05 0.00 0.00 38.32 38.13 1twh h ASN 757 CO -0.03 0.78 0.41 0.40 -1.65 0.00 0.00 177.43 177.34 1twh h ILE 758 N 0.06 0.42 -0.07 2.81 2.04 -0.86 -1.69 117.51 120.22 1twh h ILE 758 Ca 0.03 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1twh h ILE 758 Cb 0.64 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1twh h ILE 758 CO 0.03 0.07 0.01 0.00 0.00 0.00 0.00 178.15 178.27 1twh h ALA 759 N 1.75 0.09 0.00 1.87 0.00 0.70 0.38 119.26 124.05 1twh h ALA 759 Ca 0.59 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 55.16 1twh h ALA 759 Cb 1.18 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1twh h ALA 759 CO -0.56 -0.28 -1.08 1.96 0.00 0.00 0.00 179.25 179.29 1twh h GLN 760 N -0.12 0.00 -0.12 0.00 4.20 -0.85 0.64 115.11 118.87 1twh h GLN 760 Ca 0.02 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.51 1twh h GLN 760 Cb 0.26 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.05 1twh h GLN 760 CO 0.00 0.82 -0.79 0.52 -0.67 0.00 0.00 178.83 178.70 1twh h MET 761 N 0.00 0.67 0.00 1.46 2.86 -0.97 -2.72 114.93 116.23 1twh h MET 761 Ca -0.07 -0.56 -0.33 0.00 -2.06 0.00 0.00 59.70 56.68 1twh h MET 761 Cb 1.76 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 33.48 1twh h MET 761 CO 0.11 1.18 -2.24 0.43 1.06 0.00 0.00 176.91 177.45 1twh n SER 762 N -3.89 0.83 -0.01 1.22 7.64 0.13 -2.47 113.62 117.06 1twh n SER 762 Ca -0.07 -0.02 -0.04 0.00 1.01 0.00 0.00 58.87 59.75 1twh n SER 762 Cb 0.75 0.74 -0.01 0.00 -1.01 0.00 0.00 64.21 64.68 1twh n SER 762 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1twh n ALA 763 N -2.74 1.99 -3.63 -0.43 0.00 -0.86 -4.80 120.51 110.03 1twh n ALA 763 Ca -0.31 -0.37 -0.11 0.00 0.00 0.00 0.00 53.44 52.65 1twh n ALA 763 Cb 1.06 0.14 -0.07 0.00 0.00 0.00 0.00 19.45 20.58 1twh n ALA 763 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1twh h VAL 765 N 3.87 1.27 0.00 0.00 2.07 -1.53 -3.32 116.25 118.61 1twh h VAL 765 Ca -0.29 -2.71 0.00 0.00 0.82 0.00 0.00 66.70 64.52 1twh h VAL 765 Cb 1.17 3.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.97 1twh h VAL 765 CO 0.09 0.82 0.00 0.61 0.02 0.00 0.00 177.57 179.10 1twh n GLY 766 N 1.72 -1.80 3.75 2.17 0.00 -0.20 -4.91 105.19 105.93 1twh n GLY 766 Ca -0.17 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 1twh n GLY 766 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1twh s GLN 767 N 0.00 4.74 0.20 1.61 2.00 -1.26 -1.77 119.66 125.18 1twh s GLN 767 Ca 0.00 1.37 -0.04 0.00 -2.00 0.00 0.00 55.36 54.69 1twh s GLN 767 Cb 0.00 -3.29 -0.05 0.00 0.80 0.00 0.00 33.01 30.46 1twh s GLN 767 CO 0.00 0.48 0.44 -0.65 -0.50 0.00 0.00 175.29 175.06 1twh s GLN 768 N -0.94 3.62 0.09 1.67 -1.52 -0.59 -4.93 119.66 117.05 1twh s GLN 768 Ca 0.40 -0.09 -0.10 0.00 -1.95 0.00 0.00 55.36 53.62 1twh s GLN 768 Cb -0.25 -2.77 0.00 0.00 -0.22 0.00 0.00 33.01 29.78 1twh s GLN 768 CO 0.30 0.37 0.22 -1.54 -0.25 0.00 0.00 175.29 174.39 1twh s SER 769 N -2.80 0.06 -0.21 5.90 1.04 -1.26 -4.16 113.70 112.27 1twh s SER 769 Ca 0.42 -0.58 -0.04 0.00 0.48 0.00 0.00 55.95 56.23 1twh s SER 769 Cb -0.11 0.35 0.07 0.00 0.10 0.00 0.00 66.02 66.43 1twh s SER 769 CO 0.27 -0.73 0.09 -0.69 0.98 0.00 0.00 173.24 173.15 1twh s VAL 770 N -3.75 0.11 -0.40 5.02 1.01 -0.69 -4.50 120.40 117.21 1twh s VAL 770 Ca 0.04 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 1twh s VAL 770 Cb 0.04 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1twh s VAL 770 CO -0.11 -0.39 0.24 -0.62 0.00 0.00 0.00 175.10 174.23 1twh n GLU 771 N 5.20 -1.74 -0.65 2.72 1.02 -1.26 -2.68 120.64 123.24 1twh n GLU 771 Ca -0.07 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1twh n GLU 771 Cb 0.47 -3.59 0.00 0.00 -0.02 0.00 0.00 31.44 28.30 1twh n GLU 771 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1twh n GLY 772 N -0.93 0.79 3.23 0.62 0.00 -1.26 -4.98 105.19 102.65 1twh n GLY 772 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1twh n GLY 772 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1twh s LYS 773 N -0.35 1.03 0.90 1.61 1.02 -1.09 -5.07 119.74 117.78 1twh s LYS 773 Ca 0.00 -1.46 -0.11 0.00 0.02 0.00 0.00 55.97 54.43 1twh s LYS 773 Cb 0.00 -0.38 0.14 0.00 -0.52 0.00 0.00 37.83 37.07 1twh s LYS 773 CO 0.00 -0.03 1.16 1.03 -0.92 0.00 0.00 175.35 176.59 1twh s ARG 774 N -3.84 1.12 0.37 1.68 0.52 -1.26 -1.70 118.95 115.84 1twh s ARG 774 Ca 0.18 1.60 -0.28 0.00 -0.52 0.00 0.00 55.73 56.72 1twh s ARG 774 Cb 0.05 -1.73 -0.11 0.00 0.52 0.00 0.00 34.95 33.67 1twh s ARG 774 CO 0.01 -2.57 1.40 -0.89 0.02 0.00 0.00 175.30 173.26 1twh n ILE 775 N -4.07 2.10 -3.20 1.52 2.08 -0.32 -4.64 119.36 112.83 1twh n ILE 775 Ca 0.12 -0.50 -0.20 0.00 0.56 0.00 0.00 62.75 62.73 1twh n ILE 775 Cb 0.52 -1.80 0.03 0.00 -0.75 0.00 0.00 39.64 37.64 1twh n ILE 775 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1twh s ALA 776 N -1.12 4.57 -1.10 -1.39 0.00 -1.26 -4.81 121.76 116.64 1twh s ALA 776 Ca 0.55 -1.89 -0.12 0.00 0.00 0.00 0.00 51.96 50.50 1twh s ALA 776 Cb -0.51 -1.35 0.22 0.00 0.00 0.00 0.00 23.12 21.48 1twh s ALA 776 CO 0.62 -0.61 1.20 -0.06 0.00 0.00 0.00 175.76 176.92 1twh s PHE 777 N -2.59 3.83 0.28 0.00 2.99 -1.26 -4.52 117.98 116.70 1twh s PHE 777 Ca 0.55 -2.29 0.15 0.00 0.00 0.00 0.00 56.93 55.34 1twh s PHE 777 Cb -0.06 -4.06 0.66 0.00 0.00 0.00 0.00 43.02 39.56 1twh s PHE 777 CO 0.34 -1.17 1.75 0.78 -0.00 0.00 0.00 175.22 176.92 1twh h GLY 778 N 8.28 0.00 -1.28 4.36 0.00 -1.83 -3.41 103.07 109.19 1twh h GLY 778 Ca 0.22 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 47.09 1twh h GLY 778 CO 1.08 0.00 0.18 -1.36 0.00 0.00 0.00 176.54 176.45 1twh s PHE 779 N -3.84 1.36 -0.28 5.60 0.08 -0.87 -4.98 117.98 115.06 1twh s PHE 779 Ca -0.01 -0.22 -0.29 0.00 0.12 0.00 0.00 56.93 56.52 1twh s PHE 779 Cb 0.13 -3.25 -0.01 0.00 -0.57 0.00 0.00 43.02 39.31 1twh s PHE 779 CO 0.71 -2.03 1.42 0.08 -0.10 0.00 0.00 175.22 175.30 1twh s VAL 780 N -3.34 3.97 -2.03 -0.44 1.01 -1.26 -2.71 120.40 115.60 1twh s VAL 780 Ca 0.69 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.77 1twh s VAL 780 Cb -0.04 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1twh s VAL 780 CO 0.47 -0.42 0.00 0.47 0.00 0.00 0.00 175.10 175.62 1twh n ASP 781 N 7.97 -5.59 -3.53 3.32 8.00 -1.26 -4.87 116.55 120.59 1twh n ASP 781 Ca 0.16 0.31 -0.14 0.00 0.71 0.00 0.00 54.79 55.83 1twh n ASP 781 Cb 0.46 -4.83 -0.05 0.00 -0.02 0.00 0.00 41.12 36.68 1twh n ASP 781 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1twh s ARG 782 N -4.24 0.91 0.28 -1.24 1.70 -1.10 -1.30 118.95 113.96 1twh s ARG 782 Ca 0.00 0.11 0.18 0.00 -0.47 0.00 0.00 55.73 55.54 1twh s ARG 782 Cb 0.00 0.43 0.10 0.00 -0.57 0.00 0.00 34.95 34.90 1twh s ARG 782 CO 0.00 -0.31 1.36 1.79 -1.08 0.00 0.00 175.30 177.06 1twh h THR 783 N 2.68 0.53 -3.39 4.99 1.35 -1.84 -2.31 112.91 114.92 1twh h THR 783 Ca -0.24 -1.79 -0.10 0.00 -0.55 0.00 0.00 66.41 63.73 1twh h THR 783 Cb 1.17 2.19 -0.17 0.00 -1.73 0.00 0.00 68.15 69.61 1twh h THR 783 CO 0.36 0.30 -0.28 -0.76 -0.25 0.00 0.00 175.52 174.89 1twh s LEU 784 N -6.21 1.00 0.00 3.87 1.43 -1.26 -4.67 118.68 112.85 1twh s LEU 784 Ca 0.03 -0.26 0.19 0.00 -1.03 0.00 0.00 54.13 53.07 1twh s LEU 784 Cb 0.07 1.26 1.08 0.00 0.03 0.00 0.00 46.19 48.64 1twh s LEU 784 CO 0.74 -0.62 1.57 -0.81 0.23 0.00 0.00 176.35 177.46 1twh n PRO 785 N 0.54 0.47 -0.01 1.29 -0.04 -1.26 -2.72 135.00 133.27 1twh n PRO 785 Ca -0.18 0.05 0.13 0.00 -0.04 0.00 0.00 63.50 63.45 1twh n PRO 785 Cb 0.60 -1.50 0.64 0.00 -0.04 0.00 0.00 33.50 33.20 1twh n PRO 785 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1twh n HIS 786 N -1.12 0.04 -4.61 0.54 8.25 -1.26 -4.90 115.22 112.15 1twh n HIS 786 Ca 0.12 -0.02 -0.28 0.00 -0.26 0.00 0.00 57.72 57.29 1twh n HIS 786 Cb 0.10 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.10 1twh n HIS 786 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1twh s PHE 787 N -1.96 2.48 0.45 4.41 0.40 -1.10 -5.13 117.98 117.53 1twh s PHE 787 Ca 0.38 -0.69 0.06 0.00 -0.60 0.00 0.00 56.93 56.09 1twh s PHE 787 Cb 0.19 -1.75 0.02 0.00 0.51 0.00 0.00 43.02 41.99 1twh s PHE 787 CO 0.31 0.42 0.62 -1.54 0.70 0.00 0.00 175.22 175.73 1twh s SER 788 N -3.70 5.56 0.90 1.36 1.04 -1.26 -4.95 113.70 112.65 1twh s SER 788 Ca 0.35 -0.33 -0.10 0.00 0.48 0.00 0.00 55.95 56.34 1twh s SER 788 Cb 0.10 -0.69 0.14 0.00 0.10 0.00 0.00 66.02 65.66 1twh s SER 788 CO 0.18 -0.86 1.14 -0.54 0.98 0.00 0.00 173.24 174.14 1twh s LYS 789 N -4.45 1.15 -1.62 4.02 1.02 -1.26 -3.90 119.74 114.69 1twh s LYS 789 Ca 0.56 1.52 -0.12 0.00 0.02 0.00 0.00 55.97 57.94 1twh s LYS 789 Cb -0.10 -1.75 0.11 0.00 -0.52 0.00 0.00 37.83 35.57 1twh s LYS 789 CO 0.34 -2.53 0.59 -0.25 -0.92 0.00 0.00 175.35 172.58 1twh n ASP 790 N -4.16 -1.94 -4.37 2.83 10.43 -0.42 -4.97 116.55 113.96 1twh n ASP 790 Ca 0.12 -1.06 -0.42 0.00 2.57 0.00 0.00 54.79 56.00 1twh n ASP 790 Cb 0.52 -2.63 -0.10 0.00 1.84 0.00 0.00 41.12 40.75 1twh n ASP 790 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1twh s ASP 791 N -3.70 5.91 -0.30 -2.24 -1.08 -1.25 -4.94 116.67 109.07 1twh s ASP 791 Ca 0.47 -1.20 0.11 0.00 -0.52 0.00 0.00 52.55 51.42 1twh s ASP 791 Cb -0.26 -2.09 0.77 0.00 -1.46 0.00 0.00 42.92 39.89 1twh s ASP 791 CO 0.93 -0.51 1.79 -1.22 0.52 0.00 0.00 175.17 176.68 1twh n TYR 792 N 5.07 2.34 -1.92 -5.34 4.02 -1.26 -4.64 117.16 115.43 1twh n TYR 792 Ca -0.11 -1.05 -0.30 0.00 -0.01 0.00 0.00 57.90 56.43 1twh n TYR 792 Cb 0.45 -0.63 0.18 0.00 -0.02 0.00 0.00 39.34 39.32 1twh n TYR 792 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1twh s SER 793 N -0.97 3.14 0.16 7.72 1.04 -1.26 -4.77 113.70 118.75 1twh s SER 793 Ca 0.55 0.29 -0.22 0.00 0.48 0.00 0.00 55.95 57.04 1twh s SER 793 Cb 0.43 -0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.25 1twh s SER 793 CO 0.14 -2.72 1.62 -0.65 0.98 0.00 0.00 173.24 172.61 1twh h PRO 794 N -1.64 -0.24 -0.51 4.02 0.11 -1.95 -2.98 132.00 128.81 1twh h PRO 794 Ca -0.44 0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.58 1twh h PRO 794 Cb 1.24 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 1twh h PRO 794 CO 0.39 -0.16 -0.08 0.93 -0.21 0.00 0.00 178.00 178.87 1twh h GLU 795 N -0.25 0.96 0.00 1.05 3.07 -1.91 -1.52 114.58 115.97 1twh h GLU 795 Ca 0.15 -0.35 -0.10 0.00 -0.50 0.00 0.00 59.36 58.56 1twh h GLU 795 Cb 0.49 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1twh h GLU 795 CO -0.43 1.01 -0.49 1.03 -1.40 0.00 0.00 179.01 178.73 1twh h SER 796 N 0.82 0.00 -0.04 1.42 0.87 -1.84 -3.23 113.55 111.55 1twh h SER 796 Ca 0.13 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 1twh h SER 796 Cb 0.63 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 1twh h SER 796 CO 0.04 0.49 -0.46 0.29 -0.53 0.00 0.00 176.83 176.66 1twh n LYS 797 N -3.74 1.62 0.00 2.24 5.02 -0.95 -4.70 118.16 117.65 1twh n LYS 797 Ca -0.01 -3.30 0.00 0.00 -2.02 0.00 0.00 58.31 52.98 1twh n LYS 797 Cb 0.54 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1twh n LYS 797 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1twh n GLY 798 N -1.12 1.09 3.72 0.72 0.00 -0.92 -1.17 105.19 107.50 1twh n GLY 798 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1twh n GLY 798 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1twh s PHE 799 N -2.00 3.59 -0.33 1.61 5.36 -0.62 -1.54 117.98 124.04 1twh s PHE 799 Ca 0.00 1.55 -0.11 0.00 -0.96 0.00 0.00 56.93 57.41 1twh s PHE 799 Cb 0.00 -3.25 -0.01 0.00 -0.34 0.00 0.00 43.02 39.42 1twh s PHE 799 CO 0.00 -0.56 0.19 0.08 -1.46 0.00 0.00 175.22 173.47 1twh s VAL 800 N 0.65 4.86 -0.00 3.12 1.01 -0.73 -4.58 120.40 124.73 1twh s VAL 800 Ca 0.53 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 1twh s VAL 800 Cb -0.26 -3.52 -0.32 0.00 0.00 0.00 0.00 36.38 32.28 1twh s VAL 800 CO 0.30 -0.01 0.84 -0.08 0.00 0.00 0.00 175.10 176.16 1twh h GLU 801 N 8.42 0.40 -7.19 2.72 4.81 -1.94 -0.51 114.58 121.30 1twh h GLU 801 Ca -0.31 -0.69 -0.53 0.00 -0.13 0.00 0.00 59.36 57.71 1twh h GLU 801 Cb 1.14 0.26 0.14 0.00 0.63 0.00 0.00 28.75 30.92 1twh h GLU 801 CO 0.63 1.31 0.38 -0.80 -0.73 0.00 0.00 179.01 179.80 1twh s ASN 802 N -7.31 4.39 0.87 1.04 0.01 -1.26 -4.33 114.94 108.35 1twh s ASN 802 Ca -0.11 2.23 -0.09 0.00 -0.71 0.00 0.00 52.86 54.18 1twh s ASN 802 Cb 0.05 -2.58 0.18 0.00 0.41 0.00 0.00 41.25 39.32 1twh s ASN 802 CO 0.89 -2.13 1.19 -0.94 -1.51 0.00 0.00 177.10 174.60 1twh s SER 803 N -2.25 3.52 0.15 -1.22 1.04 -1.24 -2.10 113.70 111.60 1twh s SER 803 Ca 0.71 -0.15 -0.03 0.00 0.48 0.00 0.00 55.95 56.97 1twh s SER 803 Cb -0.26 0.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.86 1twh s SER 803 CO 0.45 -2.44 1.36 1.88 0.98 0.00 0.00 173.24 175.47 1twh h TYR 804 N -1.18 0.56 -0.80 5.02 -1.99 -1.42 -1.20 116.97 115.95 1twh h TYR 804 Ca -0.39 -0.28 0.08 0.00 2.00 0.00 0.00 58.73 60.14 1twh h TYR 804 Cb 1.24 -0.07 -0.07 0.00 2.00 0.00 0.00 36.73 39.83 1twh h TYR 804 CO -0.86 1.08 0.46 1.25 -0.00 0.00 0.00 178.16 180.09 1twh h LEU 805 N 0.24 0.68 -0.63 3.88 5.85 -1.76 -2.43 115.31 121.13 1twh h LEU 805 Ca -0.06 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 1twh h LEU 805 Cb 1.47 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 1twh h LEU 805 CO 0.15 0.41 -0.58 0.03 -0.34 0.00 0.00 178.44 178.10 1twh h ARG 806 N 0.80 0.34 0.00 1.25 3.08 -1.78 -3.50 114.38 114.58 1twh h ARG 806 Ca 0.38 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1twh h ARG 806 Cb 0.30 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1twh h ARG 806 CO -0.22 0.82 0.00 0.41 -1.07 0.00 0.00 179.97 179.91 1twh n GLY 807 N 0.24 2.77 3.78 0.04 0.00 -0.47 -4.99 105.19 106.56 1twh n GLY 807 Ca -0.03 -1.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 1twh n GLY 807 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1twh s LEU 808 N 0.00 4.54 1.07 0.99 1.02 -1.26 -4.75 118.68 120.28 1twh s LEU 808 Ca 0.00 1.44 -0.13 0.00 0.02 0.00 0.00 54.13 55.46 1twh s LEU 808 Cb 0.00 -3.10 0.23 0.00 0.02 0.00 0.00 46.19 43.33 1twh s LEU 808 CO 0.00 0.20 1.07 0.42 0.02 0.00 0.00 176.35 178.07 1twh s THR 809 N -0.92 1.97 0.24 5.49 -4.23 -1.26 -4.66 115.64 112.26 1twh s THR 809 Ca 0.33 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.78 1twh s THR 809 Cb -0.21 -2.38 0.21 0.00 1.34 0.00 0.00 72.50 71.46 1twh s THR 809 CO 0.22 0.00 1.71 -0.65 -0.54 0.00 0.00 174.62 175.36 1twh h PRO 810 N -2.17 0.32 -0.33 3.99 0.11 -1.98 0.30 132.00 132.23 1twh h PRO 810 Ca -0.56 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.35 1twh h PRO 810 Cb 1.33 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1twh h PRO 810 CO 0.55 0.21 -0.47 1.96 -0.21 0.00 0.00 178.00 180.04 1twh h GLN 811 N 0.33 0.90 -0.00 1.05 7.50 -1.99 -1.90 115.11 121.00 1twh h GLN 811 Ca 0.39 -0.52 -0.14 0.00 0.50 0.00 0.00 58.65 58.87 1twh h GLN 811 Cb 0.62 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.18 1twh h GLN 811 CO -0.45 1.17 -0.68 0.93 -1.50 0.00 0.00 178.83 178.30 1twh h GLU 812 N 0.71 0.02 0.02 1.46 5.08 -1.25 -2.75 114.58 117.88 1twh h GLU 812 Ca 0.04 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1twh h GLU 812 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1twh h GLU 812 CO 0.11 0.69 -0.01 0.35 -1.00 0.00 0.00 179.01 179.15 1twh h PHE 813 N 0.01 -0.03 -0.25 4.33 3.57 -0.22 0.12 116.94 124.48 1twh h PHE 813 Ca -0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1twh h PHE 813 Cb 1.20 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1twh h PHE 813 CO 0.00 0.15 0.06 0.35 -2.23 0.00 0.00 178.31 176.64 1twh h PHE 814 N -0.20 0.35 0.00 0.41 3.57 -1.29 -1.39 116.94 118.39 1twh h PHE 814 Ca -0.00 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 1twh h PHE 814 Cb 0.19 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1twh h PHE 814 CO -0.02 0.31 -0.70 0.74 -2.23 0.00 0.00 178.31 176.42 1twh h PHE 815 N 0.35 0.00 0.00 0.41 0.05 -1.16 0.33 116.94 116.92 1twh h PHE 815 Ca 0.09 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.85 1twh h PHE 815 Cb 0.14 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.09 1twh h PHE 815 CO 0.00 0.41 -0.10 1.25 -0.18 0.00 0.00 178.31 179.69 1twh h HIS 816 N 0.00 0.00 0.05 -0.55 2.76 -0.43 -2.30 115.15 114.68 1twh h HIS 816 Ca -0.04 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 57.90 1twh h HIS 816 Cb 1.35 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.30 1twh h HIS 816 CO 0.00 0.10 -1.03 0.00 -1.30 0.00 0.00 177.93 175.71 1twh h ALA 817 N 1.90 0.33 -0.01 5.26 0.00 -0.55 -0.42 119.26 125.77 1twh h ALA 817 Ca -0.00 -0.79 0.03 0.00 0.00 0.00 0.00 54.91 54.14 1twh h ALA 817 Cb 1.05 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1twh h ALA 817 CO 0.01 0.95 -0.18 0.52 0.00 0.00 0.00 179.25 180.56 1twh h MET 818 N 0.11 -0.27 -0.41 0.00 2.86 -0.50 -1.78 114.93 114.94 1twh h MET 818 Ca -0.08 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.65 1twh h MET 818 Cb 1.70 0.06 -0.09 0.00 0.06 0.00 0.00 31.60 33.33 1twh h MET 818 CO 0.16 -0.18 -0.40 0.78 1.06 0.00 0.00 176.91 178.33 1twh h GLY 819 N -0.28 -0.47 1.02 8.32 0.00 -1.31 -1.95 103.07 108.39 1twh h GLY 819 Ca 0.06 0.51 0.12 0.00 0.00 0.00 0.00 47.33 48.02 1twh h GLY 819 CO -0.17 -0.19 0.38 -1.33 0.00 0.00 0.00 176.54 175.22 1twh h GLY 820 N -0.31 0.30 0.95 4.60 0.00 -0.89 -2.52 103.07 105.19 1twh h GLY 820 Ca 0.15 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.28 1twh h GLY 820 CO -0.57 0.04 -0.30 -0.09 0.00 0.00 0.00 176.54 175.62 1twh h ARG 821 N 0.20 0.66 -0.96 4.80 9.65 -0.54 -2.15 114.38 126.03 1twh h ARG 821 Ca 0.26 -0.36 0.23 0.00 -1.10 0.00 0.00 59.98 59.01 1twh h ARG 821 Cb 0.75 0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 29.28 1twh h ARG 821 CO -0.04 0.97 0.64 1.49 2.80 0.00 0.00 179.97 185.83 1twh h GLU 822 N 0.38 0.35 -0.01 0.20 4.81 -1.19 -0.68 114.58 118.43 1twh h GLU 822 Ca 0.03 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.09 1twh h GLU 822 Cb 0.88 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 1twh h GLU 822 CO 0.07 0.23 -0.69 0.78 -0.73 0.00 0.00 179.01 178.67 1twh h GLY 823 N 0.36 0.07 1.36 1.92 0.00 -1.42 -2.25 103.07 103.11 1twh h GLY 823 Ca 0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 1twh h GLY 823 CO -0.20 0.09 0.37 1.41 0.00 0.00 0.00 176.54 178.21 1twh h LEU 824 N 0.04 0.75 0.12 3.11 3.38 -0.51 0.96 115.31 123.17 1twh h LEU 824 Ca -0.01 -0.04 -0.27 0.00 0.09 0.00 0.00 57.88 57.65 1twh h LEU 824 Cb 1.22 -0.19 0.03 0.00 0.09 0.00 0.00 40.66 41.81 1twh h LEU 824 CO 0.09 0.59 -1.13 0.40 0.09 0.00 0.00 178.44 178.48 1twh h ILE 825 N 0.86 1.33 -0.23 1.22 2.04 -1.17 -2.89 117.51 118.67 1twh h ILE 825 Ca 0.22 -2.44 -0.13 0.00 1.00 0.00 0.00 64.86 63.51 1twh h ILE 825 Cb -0.02 2.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 1twh h ILE 825 CO -0.04 0.73 -0.40 0.44 0.00 0.00 0.00 178.15 178.88 1twh h ASP 826 N 0.12 0.56 -0.05 1.72 3.45 -1.31 -0.81 116.42 120.09 1twh h ASP 826 Ca -0.18 -0.24 -0.00 0.00 0.43 0.00 0.00 57.03 57.04 1twh h ASP 826 Cb 1.83 -0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 40.44 1twh h ASP 826 CO 0.22 0.90 0.02 0.74 -1.57 0.00 0.00 179.24 179.55 1twh h THR 827 N 0.44 1.11 -0.68 0.35 2.02 0.10 -2.41 112.91 113.85 1twh h THR 827 Ca 0.04 -0.33 0.09 0.00 0.77 0.00 0.00 66.41 66.97 1twh h THR 827 Cb 0.89 1.24 -0.07 0.00 -1.74 0.00 0.00 68.15 68.47 1twh h THR 827 CO 0.08 0.09 0.33 0.00 0.37 0.00 0.00 175.52 176.39 1twh h ALA 828 N 0.89 0.92 -0.64 6.16 0.00 -1.00 -2.15 119.26 123.45 1twh h ALA 828 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1twh h ALA 828 Cb 0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1twh h ALA 828 CO -0.00 -0.06 0.40 0.28 0.00 0.00 0.00 179.25 179.87 1twh h VAL 829 N 0.57 1.17 0.31 0.00 2.07 -0.73 0.31 116.25 119.95 1twh h VAL 829 Ca 0.33 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1twh h VAL 829 Cb 0.34 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1twh h VAL 829 CO -0.26 0.17 -0.45 0.11 0.02 0.00 0.00 177.57 177.16 1twh h LYS 830 N 0.87 -0.77 -0.86 1.57 6.56 -1.24 -2.09 116.57 120.62 1twh h LYS 830 Ca 0.23 0.05 0.21 0.00 -1.06 0.00 0.00 60.65 60.08 1twh h LYS 830 Cb -0.07 0.17 -0.13 0.00 -0.57 0.00 0.00 32.23 31.64 1twh h LYS 830 CO -0.05 -0.51 0.30 1.15 -2.06 0.00 0.00 179.45 178.28 1twh h THR 831 N -0.80 0.43 0.04 -0.16 2.02 -1.17 0.24 112.91 113.52 1twh h THR 831 Ca -0.04 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 1twh h THR 831 Cb 0.73 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1twh h THR 831 CO -0.14 0.06 -0.02 0.00 0.37 0.00 0.00 175.52 175.79 1twh h ALA 832 N 1.71 -0.06 -0.16 6.16 0.00 -0.09 -0.60 119.26 126.22 1twh h ALA 832 Ca 0.53 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.38 1twh h ALA 832 Cb 1.00 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1twh h ALA 832 CO -0.56 -0.47 0.07 0.93 0.00 0.00 0.00 179.25 179.21 1twh h GLU 833 N -0.18 0.15 -0.16 0.00 5.08 -1.23 -2.01 114.58 116.24 1twh h GLU 833 Ca -0.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1twh h GLU 833 Cb 0.16 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1twh h GLU 833 CO 0.01 0.10 0.06 1.15 -1.00 0.00 0.00 179.01 179.33 1twh h THR 834 N 0.15 1.16 -0.51 1.13 2.02 -0.48 -1.03 112.91 115.37 1twh h THR 834 Ca 0.07 -0.50 0.09 0.00 0.77 0.00 0.00 66.41 66.83 1twh h THR 834 Cb 0.03 1.21 -0.10 0.00 -1.74 0.00 0.00 68.15 67.54 1twh h THR 834 CO -0.06 0.16 -0.40 1.23 0.37 0.00 0.00 175.52 176.82 1twh h GLY 835 N 0.09 -0.38 1.62 2.16 0.00 -0.86 -2.12 103.07 103.58 1twh h GLY 835 Ca 0.05 0.51 -0.05 0.00 0.00 0.00 0.00 47.33 47.85 1twh h GLY 835 CO -0.00 -0.18 -0.00 -1.82 0.00 0.00 0.00 176.54 174.53 1twh h TYR 836 N -0.25 0.50 -0.58 5.60 3.20 -0.99 -2.10 116.97 122.35 1twh h TYR 836 Ca 0.18 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1twh h TYR 836 Cb 0.56 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 1twh h TYR 836 CO -0.65 0.50 0.34 0.82 -1.64 0.00 0.00 178.16 177.53 1twh h ILE 837 N 0.47 1.18 -0.32 1.81 2.04 -0.61 0.11 117.51 122.18 1twh h ILE 837 Ca 0.10 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1twh h ILE 837 Cb 0.31 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1twh h ILE 837 CO 0.01 0.19 0.18 -0.61 0.00 0.00 0.00 178.15 177.92 1twh h GLN 838 N 0.78 0.44 0.00 2.37 -0.00 -1.17 0.33 115.11 117.86 1twh h GLN 838 Ca 0.21 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.65 58.76 1twh h GLN 838 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.40 1twh h GLN 838 CO -0.04 0.37 -0.24 0.00 0.00 0.00 0.00 178.83 178.92 1twh h ARG 839 N 0.40 0.00 0.07 1.69 3.08 -0.79 -2.55 114.38 116.28 1twh h ARG 839 Ca 0.11 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.90 1twh h ARG 839 Cb 0.05 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.11 1twh h ARG 839 CO -0.02 0.24 -1.11 0.00 -1.07 0.00 0.00 179.97 178.02 1twh h ARG 840 N 0.00 0.42 -0.71 0.04 2.47 0.18 -2.20 114.38 114.58 1twh h ARG 840 Ca -0.00 -0.54 0.03 0.00 -1.26 0.00 0.00 59.98 58.21 1twh h ARG 840 Cb 0.63 0.18 -0.05 0.00 -1.65 0.00 0.00 29.97 29.08 1twh h ARG 840 CO 0.03 1.20 0.44 -0.07 0.56 0.00 0.00 179.97 182.14 1twh h LEU 841 N 0.19 0.72 -0.04 3.04 3.38 -0.08 -2.45 115.31 120.07 1twh h LEU 841 Ca -0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1twh h LEU 841 Cb 1.78 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.37 1twh h LEU 841 CO 0.19 0.49 -0.02 0.58 0.09 0.00 0.00 178.44 179.78 1twh h VAL 842 N 0.85 1.32 0.12 1.22 2.07 -1.49 -0.82 116.25 119.53 1twh h VAL 842 Ca 0.29 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.81 1twh h VAL 842 Cb 0.04 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1twh h VAL 842 CO -0.12 0.27 -0.21 0.50 0.02 0.00 0.00 177.57 178.03 1twh h LYS 843 N -0.30 -0.39 -1.18 1.57 3.64 -1.37 -1.89 116.57 116.65 1twh h LYS 843 Ca 0.01 0.03 0.34 0.00 -1.27 0.00 0.00 60.65 59.75 1twh h LYS 843 Cb 0.45 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.29 1twh h LYS 843 CO 0.01 -0.26 0.81 0.00 -2.27 0.00 0.00 179.45 177.74 1twh h ALA 844 N 0.38 2.81 -0.00 5.00 0.00 -1.14 -3.11 119.26 123.20 1twh h ALA 844 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1twh h ALA 844 Cb 0.42 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1twh h ALA 844 CO -0.11 -1.21 -0.38 1.28 0.00 0.00 0.00 179.25 178.82 1twh n LEU 845 N -4.37 0.89 -0.20 0.00 4.77 -0.34 -4.80 117.00 112.95 1twh n LEU 845 Ca 0.27 -0.63 0.12 0.00 -0.03 0.00 0.00 56.01 55.75 1twh n LEU 845 Cb 1.17 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 42.69 1twh n LEU 845 CO 0.34 0.19 1.21 -0.08 -1.33 0.00 0.00 177.39 177.72 1twh h GLU 846 N 0.61 0.55 -0.01 3.23 4.81 -1.35 -2.24 114.58 120.18 1twh h GLU 846 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1twh h GLU 846 Cb 0.32 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1twh h GLU 846 CO 0.00 0.37 -0.01 -0.40 -0.73 0.00 0.00 179.01 178.24 1twh n ASP 847 N -4.51 0.54 -4.78 1.04 5.75 -1.26 -4.46 116.55 108.87 1twh n ASP 847 Ca 0.15 -1.13 -0.39 0.00 -0.01 0.00 0.00 54.79 53.40 1twh n ASP 847 Cb 0.45 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.47 1twh n ASP 847 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1twh s ILE 848 N -2.03 4.63 0.05 2.12 1.01 -0.84 -4.25 121.20 121.89 1twh s ILE 848 Ca 0.43 1.44 -0.08 0.00 0.00 0.00 0.00 60.65 62.44 1twh s ILE 848 Cb 0.22 -4.01 -0.00 0.00 0.01 0.00 0.00 42.46 38.67 1twh s ILE 848 CO 0.37 0.50 0.16 -0.32 0.00 0.00 0.00 174.94 175.65 1twh s MET 849 N -0.86 0.69 0.12 2.79 1.75 -0.69 -2.66 119.30 120.45 1twh s MET 849 Ca 0.33 -0.74 -0.30 0.00 -1.25 0.00 0.00 55.69 53.73 1twh s MET 849 Cb -0.21 0.28 -0.06 0.00 2.84 0.00 0.00 34.83 37.68 1twh s MET 849 CO 0.22 -0.19 0.94 0.08 -0.65 0.00 0.00 175.02 175.42 1twh s VAL 850 N -2.85 4.47 0.40 10.11 1.01 0.86 -2.20 120.40 132.19 1twh s VAL 850 Ca -0.03 2.04 0.07 0.00 0.00 0.00 0.00 61.98 64.07 1twh s VAL 850 Cb 0.00 -4.31 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 1twh s VAL 850 CO -0.06 0.34 0.11 -1.00 0.00 0.00 0.00 175.10 174.50 1twh s HIS 851 N -0.15 2.58 -1.90 5.22 3.76 -0.67 -1.85 115.29 122.28 1twh s HIS 851 Ca 0.46 -0.58 0.26 0.00 -0.15 0.00 0.00 55.06 55.04 1twh s HIS 851 Cb -0.23 -1.84 1.52 0.00 1.11 0.00 0.00 32.58 33.14 1twh s HIS 851 CO 0.30 0.30 1.92 0.66 -0.85 0.00 0.00 174.74 177.06 1twh n TYR 852 N -1.13 0.00 1.16 1.40 4.02 -1.26 -0.23 117.16 121.12 1twh n TYR 852 Ca -0.03 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.93 1twh n TYR 852 Cb 0.65 -0.05 0.38 0.00 -0.02 0.00 0.00 39.34 40.30 1twh n TYR 852 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1twh n ASP 853 N -1.05 0.00 0.00 7.72 5.68 -1.26 -4.92 116.55 122.71 1twh n ASP 853 Ca 0.18 -0.76 0.00 0.00 -0.50 0.00 0.00 54.79 53.72 1twh n ASP 853 Cb 0.11 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 1twh n ASP 853 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1twh n ASN 854 N -0.85 -2.02 -4.88 -1.12 3.02 0.68 -5.02 115.26 105.07 1twh n ASN 854 Ca 0.10 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.35 1twh n ASN 854 Cb 0.04 -0.96 -0.01 0.00 -0.61 0.00 0.00 39.78 38.24 1twh n ASN 854 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1twh s THR 855 N -2.45 4.76 -0.07 3.41 -4.23 -1.25 -2.80 115.64 113.01 1twh s THR 855 Ca 0.00 0.66 0.04 0.00 -1.18 0.00 0.00 61.69 61.21 1twh s THR 855 Cb 0.00 -3.80 -0.02 0.00 1.34 0.00 0.00 72.50 70.02 1twh s THR 855 CO 0.00 -0.79 -0.18 -0.89 -0.54 0.00 0.00 174.62 172.22 1twh s THR 856 N -2.70 2.69 0.06 3.99 2.01 -0.95 -1.66 115.64 119.07 1twh s THR 856 Ca 0.52 -0.84 -0.13 0.00 0.31 0.00 0.00 61.69 61.56 1twh s THR 856 Cb -0.10 -2.05 0.02 0.00 0.01 0.00 0.00 72.50 70.38 1twh s THR 856 CO 0.40 0.57 0.29 -0.13 -0.69 0.00 0.00 174.62 175.06 1twh s ARG 857 N -0.32 0.83 0.82 4.92 0.52 -0.93 -0.87 118.95 123.91 1twh s ARG 857 Ca 0.02 -0.59 -0.10 0.00 -0.52 0.00 0.00 55.73 54.54 1twh s ARG 857 Cb -0.13 0.35 0.13 0.00 0.52 0.00 0.00 34.95 35.82 1twh s ARG 857 CO 0.02 -0.27 1.15 0.54 0.02 0.00 0.00 175.30 176.76 1twh s ASN 858 N -2.23 4.07 0.48 0.23 6.03 -0.91 -1.70 114.94 120.91 1twh s ASN 858 Ca -0.03 0.28 0.30 0.00 -1.03 0.00 0.00 52.86 52.39 1twh s ASN 858 Cb 0.00 -0.64 1.15 0.00 -3.03 0.00 0.00 41.25 38.73 1twh s ASN 858 CO -0.05 -2.10 1.88 0.77 -2.03 0.00 0.00 177.10 175.57 1twh h SER 859 N -1.03 0.00 0.78 3.54 4.64 -1.92 -0.33 113.55 119.23 1twh h SER 859 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1twh h SER 859 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1twh h SER 859 CO 0.49 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 176.38 1twh h LEU 860 N 0.00 0.00 0.00 5.97 3.38 -1.94 -3.46 115.31 119.26 1twh h LEU 860 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1twh h LEU 860 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1twh h LEU 860 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1twh n GLY 861 N -0.11 0.74 3.73 0.83 0.00 -0.13 -5.04 105.19 105.21 1twh n GLY 861 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1twh n GLY 861 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1twh s ASN 862 N -2.98 4.02 -0.03 1.61 0.01 -1.25 -4.69 114.94 111.63 1twh s ASN 862 Ca 0.00 2.05 -0.29 0.00 -0.71 0.00 0.00 52.86 53.92 1twh s ASN 862 Cb 0.00 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.08 1twh s ASN 862 CO 0.00 -2.37 0.94 -0.69 -1.51 0.00 0.00 177.10 173.47 1twh s VAL 863 N -2.60 4.89 -0.13 1.60 1.01 -1.26 -2.14 120.40 121.77 1twh s VAL 863 Ca 0.66 1.95 0.01 0.00 0.00 0.00 0.00 61.98 64.60 1twh s VAL 863 Cb -0.21 -4.27 -0.09 0.00 0.00 0.00 0.00 36.38 31.81 1twh s VAL 863 CO 0.53 0.15 -0.11 -0.38 0.00 0.00 0.00 175.10 175.28 1twh n ILE 864 N 4.00 0.75 -3.90 2.22 2.08 -0.05 -4.95 119.36 119.51 1twh n ILE 864 Ca 0.05 -0.29 -0.11 0.00 0.56 0.00 0.00 62.75 62.96 1twh n ILE 864 Cb 0.51 -0.96 -0.12 0.00 -0.75 0.00 0.00 39.64 38.31 1twh n ILE 864 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 1twh s GLN 865 N -2.26 0.21 0.05 0.38 -0.21 -0.98 -4.89 119.66 111.95 1twh s GLN 865 Ca -0.17 -0.25 0.23 0.00 0.02 0.00 0.00 55.36 55.18 1twh s GLN 865 Cb 0.05 0.08 -0.05 0.00 1.00 0.00 0.00 33.01 34.09 1twh s GLN 865 CO 0.31 -0.04 0.92 1.19 -2.12 0.00 0.00 175.29 175.55 1twh n PHE 866 N 2.29 0.27 -3.81 0.91 3.01 -1.26 -2.24 117.46 116.63 1twh n PHE 866 Ca -0.18 0.08 -0.12 0.00 1.01 0.00 0.00 57.45 58.24 1twh n PHE 866 Cb 0.57 -0.47 -0.11 0.00 -0.01 0.00 0.00 39.48 39.46 1twh n PHE 866 CO 0.00 0.00 0.00 -1.50 1.01 0.00 0.00 176.76 176.27 1twh s ILE 867 N -3.26 0.02 -0.04 4.37 2.07 -1.26 -4.20 121.20 118.89 1twh s ILE 867 Ca 0.01 -0.14 -0.30 0.00 -1.41 0.00 0.00 60.65 58.82 1twh s ILE 867 Cb 0.14 -0.33 -0.05 0.00 0.13 0.00 0.00 42.46 42.35 1twh s ILE 867 CO 0.83 -0.08 1.53 -0.47 -1.91 0.00 0.00 174.94 174.84 1twh s TYR 868 N -0.21 2.37 -0.12 3.50 5.04 -1.12 -1.76 117.35 125.04 1twh s TYR 868 Ca -0.03 0.48 0.00 0.00 -2.44 0.00 0.00 57.07 55.08 1twh s TYR 868 Cb -0.03 -3.80 0.00 0.00 0.35 0.00 0.00 41.96 38.49 1twh s TYR 868 CO 0.01 -3.18 0.00 0.41 -1.34 0.00 0.00 175.55 171.44 1twh n GLY 869 N 3.92 0.46 2.84 8.97 0.00 -1.26 -1.35 105.19 118.76 1twh n GLY 869 Ca 0.16 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1twh n GLY 869 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1twh n GLU 870 N -2.10 -0.11 0.00 1.61 1.02 -0.73 -4.64 120.64 115.70 1twh n GLU 870 Ca -0.01 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1twh n GLU 870 Cb 0.15 -3.00 0.00 0.00 -0.02 0.00 0.00 31.44 28.57 1twh n GLU 870 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1twh n ASP 871 N -0.05 0.00 -0.72 1.62 5.75 -1.03 -4.71 116.55 117.41 1twh n ASP 871 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.69 1twh n ASP 871 Cb 0.03 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.08 1twh n ASP 871 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1twh n GLY 872 N 0.00 1.06 3.92 6.12 0.00 -0.46 -4.85 105.19 110.98 1twh n GLY 872 Ca 0.00 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 1twh n GLY 872 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1twh s MET 873 N -2.83 3.10 -0.11 1.61 -1.94 -1.26 -0.86 119.30 117.01 1twh s MET 873 Ca 0.00 0.02 -0.13 0.00 -1.71 0.00 0.00 55.69 53.87 1twh s MET 873 Cb 0.00 -2.32 -0.05 0.00 2.01 0.00 0.00 34.83 34.47 1twh s MET 873 CO 0.00 -0.53 0.29 0.34 -0.01 0.00 0.00 175.02 175.11 1twh s ASP 874 N -4.24 6.53 0.22 3.03 -1.08 -0.90 -4.27 116.67 115.95 1twh s ASP 874 Ca 0.52 0.62 0.26 0.00 -0.52 0.00 0.00 52.55 53.43 1twh s ASP 874 Cb -0.10 -2.18 0.80 0.00 -1.46 0.00 0.00 42.92 39.98 1twh s ASP 874 CO 0.45 0.23 1.77 0.00 0.52 0.00 0.00 175.17 178.13 1twh n ALA 875 N 2.76 2.24 0.28 3.66 0.00 -1.26 -2.00 120.51 126.19 1twh n ALA 875 Ca -0.14 -0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.43 1twh n ALA 875 Cb 0.53 -1.47 0.80 0.00 0.00 0.00 0.00 19.45 19.31 1twh n ALA 875 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1twh h ALA 876 N 2.49 1.31 -0.50 0.00 0.00 -1.85 -2.90 119.26 117.81 1twh h ALA 876 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1twh h ALA 876 Cb 0.73 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1twh h ALA 876 CO 0.00 0.10 0.04 0.72 0.00 0.00 0.00 179.25 180.11 1twh n HIS 877 N -3.63 1.78 -4.86 0.00 8.25 -0.84 -4.86 115.22 111.05 1twh n HIS 877 Ca -0.02 -0.67 -0.33 0.00 -0.26 0.00 0.00 57.72 56.45 1twh n HIS 877 Cb 0.19 -0.47 -0.14 0.00 1.12 0.00 0.00 29.99 30.70 1twh n HIS 877 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1twh s ILE 878 N -2.47 3.03 0.03 1.59 -1.09 -1.09 -4.04 121.20 117.16 1twh s ILE 878 Ca 0.45 -0.71 0.01 0.00 -2.23 0.00 0.00 60.65 58.17 1twh s ILE 878 Cb 0.35 -2.21 -0.02 0.00 -1.58 0.00 0.00 42.46 38.99 1twh s ILE 878 CO 0.13 0.57 -0.06 -1.61 -1.23 0.00 0.00 174.94 172.74 1twh s GLU 879 N -0.35 0.45 -0.00 2.79 2.02 -0.75 -4.79 118.70 118.06 1twh s GLU 879 Ca 0.03 -0.69 -0.30 0.00 0.02 0.00 0.00 54.97 54.03 1twh s GLU 879 Cb -0.13 -0.15 -0.08 0.00 0.10 0.00 0.00 34.13 33.87 1twh s GLU 879 CO 0.02 0.02 2.02 1.17 0.02 0.00 0.00 175.26 178.51 1twh n LYS 880 N 1.54 2.73 -4.09 1.61 4.81 -1.26 -0.86 118.16 122.64 1twh n LYS 880 Ca -0.23 0.97 -0.11 0.00 -0.87 0.00 0.00 58.31 58.07 1twh n LYS 880 Cb 0.55 -3.06 -0.11 0.00 0.02 0.00 0.00 35.03 32.43 1twh n LYS 880 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1twh s GLN 881 N 4.81 0.61 -0.17 1.64 -0.21 -0.77 -4.83 119.66 120.74 1twh s GLN 881 Ca 0.91 -0.99 -0.12 0.00 0.02 0.00 0.00 55.36 55.18 1twh s GLN 881 Cb -0.41 -0.13 -0.05 0.00 1.00 0.00 0.00 33.01 33.42 1twh s GLN 881 CO 0.41 -0.01 0.22 -1.54 -2.12 0.00 0.00 175.29 172.25 1twh s SER 882 N -2.24 6.36 -0.24 5.90 1.04 -1.26 0.13 113.70 123.39 1twh s SER 882 Ca -0.01 0.41 -0.10 0.00 0.48 0.00 0.00 55.95 56.73 1twh s SER 882 Cb -0.02 -2.14 -0.05 0.00 0.10 0.00 0.00 66.02 63.91 1twh s SER 882 CO -0.03 0.16 0.16 -0.76 0.98 0.00 0.00 173.24 173.75 1twh s LEU 883 N 0.26 4.06 -0.19 2.42 1.43 -0.05 -4.96 118.68 121.65 1twh s LEU 883 Ca 0.13 0.07 -0.20 0.00 -1.03 0.00 0.00 54.13 53.11 1twh s LEU 883 Cb -0.12 -2.09 -0.17 0.00 0.03 0.00 0.00 46.19 43.83 1twh s LEU 883 CO 0.02 0.05 0.22 0.44 0.23 0.00 0.00 176.35 177.31 1twh h ASP 884 N 7.67 0.00 0.00 2.29 3.32 -1.90 -2.95 116.42 124.84 1twh h ASP 884 Ca -0.37 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.20 1twh h ASP 884 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1twh h ASP 884 CO 0.63 1.28 0.60 0.35 -1.72 0.00 0.00 179.24 180.38 1twh n THR 885 N -4.50 0.00 0.07 0.35 -2.24 -1.26 -2.72 114.28 103.98 1twh n THR 885 Ca -0.24 0.60 -0.23 0.00 -2.27 0.00 0.00 64.05 61.90 1twh n THR 885 Cb 0.57 -1.56 -0.15 0.00 -2.10 0.00 0.00 70.33 67.09 1twh n THR 885 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1twh h ILE 886 N 0.00 1.05 -0.96 2.28 2.10 -1.87 -3.40 117.51 116.70 1twh h ILE 886 Ca 0.00 -2.52 -0.48 0.00 1.08 0.00 0.00 64.86 62.94 1twh h ILE 886 Cb 1.19 2.83 0.03 0.00 -1.09 0.00 0.00 36.82 39.78 1twh h ILE 886 CO 0.00 0.81 -0.11 -0.83 -1.08 0.00 0.00 178.15 176.94 1twh s GLY 887 N -4.96 1.76 0.00 8.18 0.00 -1.10 -4.95 107.32 106.25 1twh s GLY 887 Ca -0.16 -2.06 0.00 0.00 0.00 0.00 0.00 44.72 42.51 1twh s GLY 887 CO 0.85 -1.63 0.00 0.61 0.00 0.00 0.00 173.10 172.93 1twh n GLY 888 N -2.22 1.26 3.84 0.20 0.00 -1.26 -4.86 105.19 102.14 1twh n GLY 888 Ca 0.15 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 1twh n GLY 888 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1twh s SER 889 N -0.70 4.68 0.21 1.61 1.04 -1.26 -2.77 113.70 116.51 1twh s SER 889 Ca 0.00 1.14 -0.02 0.00 0.48 0.00 0.00 55.95 57.55 1twh s SER 889 Cb 0.00 -1.85 0.19 0.00 0.10 0.00 0.00 66.02 64.46 1twh s SER 889 CO 0.00 -1.83 1.57 0.44 0.98 0.00 0.00 173.24 174.40 1twh h ASP 890 N -1.00 0.60 -0.58 7.02 3.32 -1.20 -2.17 116.42 122.42 1twh h ASP 890 Ca -0.47 -0.28 0.02 0.00 0.02 0.00 0.00 57.03 56.32 1twh h ASP 890 Cb 1.28 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.63 1twh h ASP 890 CO 0.62 0.96 0.36 0.00 -1.72 0.00 0.00 179.24 179.46 1twh h ALA 891 N 1.07 0.74 0.00 3.45 0.00 -1.93 -1.95 119.26 120.63 1twh h ALA 891 Ca 0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1twh h ALA 891 Cb 0.95 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1twh h ALA 891 CO 0.08 0.10 -0.33 0.00 0.00 0.00 0.00 179.25 179.11 1twh h ALA 892 N 1.24 1.21 0.01 0.00 0.00 -1.78 -0.98 119.26 118.97 1twh h ALA 892 Ca 0.23 -0.30 -0.24 0.00 0.00 0.00 0.00 54.91 54.59 1twh h ALA 892 Cb -0.01 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1twh h ALA 892 CO -0.08 0.41 -1.00 0.35 0.00 0.00 0.00 179.25 178.93 1twh h PHE 893 N 0.00 0.77 0.00 0.00 3.57 -0.85 -2.45 116.94 117.97 1twh h PHE 893 Ca -0.00 -0.42 -0.12 0.00 3.53 0.00 0.00 57.97 60.95 1twh h PHE 893 Cb 0.69 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 1twh h PHE 893 CO 0.00 1.25 -0.58 1.49 -2.23 0.00 0.00 178.31 178.24 1twh h GLU 894 N 0.28 0.00 -0.22 1.11 4.81 -0.89 -2.74 114.58 116.93 1twh h GLU 894 Ca -0.10 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 1twh h GLU 894 Cb 1.65 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.01 1twh h GLU 894 CO 0.18 0.58 -0.09 1.57 -0.73 0.00 0.00 179.01 180.52 1twh h LYS 895 N 0.00 0.35 0.19 1.92 2.10 -0.71 -1.53 116.57 118.88 1twh h LYS 895 Ca -0.01 -0.08 -0.31 0.00 -2.00 0.00 0.00 60.65 58.26 1twh h LYS 895 Cb 1.04 -0.05 0.02 0.00 -0.90 0.00 0.00 32.23 32.34 1twh h LYS 895 CO 0.08 0.45 -1.40 -0.09 -2.00 0.00 0.00 179.45 176.49 1twh h ARG 896 N 0.33 0.39 0.00 0.07 2.43 -1.31 -3.39 114.38 112.90 1twh h ARG 896 Ca 0.07 -0.67 -0.37 0.00 -0.81 0.00 0.00 59.98 58.20 1twh h ARG 896 Cb 0.38 0.25 -0.07 0.00 -0.42 0.00 0.00 29.97 30.11 1twh h ARG 896 CO 0.02 1.31 -2.36 0.66 -1.51 0.00 0.00 179.97 178.09 1twh n TYR 897 N -3.61 0.07 -1.74 2.20 4.02 -1.05 -4.55 117.16 112.50 1twh n TYR 897 Ca -0.14 0.02 -0.42 0.00 -0.01 0.00 0.00 57.90 57.35 1twh n TYR 897 Cb 1.06 -1.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.34 1twh n TYR 897 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1twh s ARG 898 N -2.50 3.79 -0.20 -0.72 6.06 -0.58 -4.60 118.95 120.19 1twh s ARG 898 Ca -0.13 2.27 -0.06 0.00 -2.50 0.00 0.00 55.73 55.30 1twh s ARG 898 Cb 0.07 -4.20 -0.03 0.00 0.06 0.00 0.00 34.95 30.85 1twh s ARG 898 CO 0.80 -1.35 0.03 0.08 -2.50 0.00 0.00 175.30 172.36 1twh s VAL 899 N 5.70 4.27 -0.30 7.11 1.01 -1.26 -4.94 120.40 131.99 1twh s VAL 899 Ca 0.88 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.66 1twh s VAL 899 Cb -0.36 -2.94 0.09 0.00 0.00 0.00 0.00 36.38 33.17 1twh s VAL 899 CO 0.37 0.42 0.07 -0.62 0.00 0.00 0.00 175.10 175.34 1twh s ASP 900 N 0.92 4.01 0.11 3.32 -1.08 0.17 -4.82 116.67 119.30 1twh s ASP 900 Ca 0.02 -1.59 0.20 0.00 -0.52 0.00 0.00 52.55 50.67 1twh s ASP 900 Cb -0.14 -0.97 0.83 0.00 -1.46 0.00 0.00 42.92 41.18 1twh s ASP 900 CO 0.02 -0.38 1.63 0.18 0.52 0.00 0.00 175.17 177.14 1twh n LEU 901 N 4.77 0.32 -1.57 -1.34 4.77 -1.26 -2.03 117.00 120.66 1twh n LEU 901 Ca -0.03 0.57 -0.04 0.00 -0.03 0.00 0.00 56.01 56.48 1twh n LEU 901 Cb 0.43 -0.51 0.20 0.00 -2.33 0.00 0.00 43.42 41.20 1twh n LEU 901 CO 0.13 -0.34 0.80 0.18 -1.33 0.00 0.00 177.39 176.84 1twh n LEU 902 N -1.84 4.64 -3.76 2.23 4.77 -1.26 0.16 117.00 121.94 1twh n LEU 902 Ca 0.03 -2.40 -0.13 0.00 -0.03 0.00 0.00 56.01 53.49 1twh n LEU 902 Cb 0.23 -0.66 -0.12 0.00 -2.33 0.00 0.00 43.42 40.54 1twh n LEU 902 CO 0.18 0.65 -0.06 0.21 -1.33 0.00 0.00 177.39 177.04 1twh s ASN 903 N -0.49 -0.30 0.31 -1.43 3.04 -1.06 -4.88 114.94 110.13 1twh s ASN 903 Ca 0.36 0.58 0.23 0.00 0.04 0.00 0.00 52.86 54.08 1twh s ASN 903 Cb 0.29 0.55 0.32 0.00 -1.54 0.00 0.00 41.25 40.86 1twh s ASN 903 CO 0.09 -0.12 1.45 0.71 -3.04 0.00 0.00 177.10 176.19 1twh h THR 904 N 5.04 0.00 0.00 -5.21 1.35 -1.88 -1.80 112.91 110.41 1twh h THR 904 Ca -0.30 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 1twh h THR 904 Cb 1.18 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 1twh h THR 904 CO 0.34 0.00 -0.56 0.44 -0.25 0.00 0.00 175.52 175.48 1twh h ASP 905 N 0.00 0.00 -0.18 5.36 3.32 -1.95 -3.39 116.42 119.58 1twh h ASP 905 Ca 0.00 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1twh h ASP 905 Cb 0.94 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 1twh h ASP 905 CO 0.00 0.01 -0.05 1.41 -1.72 0.00 0.00 179.24 178.89 1twh n HIS 906 N -2.75 0.62 -1.05 4.55 8.25 -0.72 -4.97 115.22 119.15 1twh n HIS 906 Ca 0.02 -1.10 0.00 0.00 -0.26 0.00 0.00 57.72 56.38 1twh n HIS 906 Cb 0.53 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.34 1twh n HIS 906 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1twh n THR 907 N -0.95 0.00 -3.77 1.59 -2.24 -0.86 -0.65 114.28 107.40 1twh n THR 907 Ca 0.22 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.63 1twh n THR 907 Cb 0.83 -1.50 -0.13 0.00 -2.10 0.00 0.00 70.33 67.44 1twh n THR 907 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1twh s LEU 908 N 0.00 3.63 0.62 3.22 1.43 -1.26 -4.83 118.68 121.49 1twh s LEU 908 Ca 0.00 -0.51 -0.17 0.00 -1.03 0.00 0.00 54.13 52.42 1twh s LEU 908 Cb 0.00 -1.88 -0.09 0.00 0.03 0.00 0.00 46.19 44.25 1twh s LEU 908 CO 0.00 -0.12 0.32 -0.67 0.23 0.00 0.00 176.35 176.11 1twh n ASP 909 N 4.88 -1.89 -0.13 2.29 -0.08 -1.26 -4.81 116.55 115.55 1twh n ASP 909 Ca -0.15 0.65 0.15 0.00 -1.51 0.00 0.00 54.79 53.92 1twh n ASP 909 Cb 0.49 -1.10 0.69 0.00 2.34 0.00 0.00 41.12 43.54 1twh n ASP 909 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1twh n PRO 910 N 0.22 0.87 0.17 -0.67 -0.04 -1.26 -2.93 135.00 131.35 1twh n PRO 910 Ca 0.10 -0.26 0.06 0.00 -0.04 0.00 0.00 63.50 63.35 1twh n PRO 910 Cb 0.48 -1.49 0.10 0.00 -0.04 0.00 0.00 33.50 32.55 1twh n PRO 910 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1twh h SER 911 N 0.64 0.00 0.37 3.54 4.64 -1.95 -3.10 113.55 117.69 1twh h SER 911 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1twh h SER 911 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1twh h SER 911 CO 0.00 0.34 -0.17 -0.07 -0.87 0.00 0.00 176.83 176.06 1twh h LEU 912 N 0.00 0.00 -7.34 5.97 3.38 -1.87 0.30 115.31 115.75 1twh h LEU 912 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1twh h LEU 912 Cb 1.23 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.74 1twh h LEU 912 CO 0.04 0.17 -0.26 -0.22 0.09 0.00 0.00 178.44 178.27 1twh s LEU 913 N -7.62 0.53 0.12 1.67 2.96 -1.17 -1.94 118.68 113.23 1twh s LEU 913 Ca -0.03 0.75 -0.22 0.00 -0.22 0.00 0.00 54.13 54.41 1twh s LEU 913 Cb 0.14 1.33 -0.04 0.00 0.50 0.00 0.00 46.19 48.12 1twh s LEU 913 CO 0.63 -0.15 1.69 -0.33 -1.32 0.00 0.00 176.35 176.86 1twh h GLU 914 N 5.45 -0.12 -0.01 1.98 5.08 -1.16 -1.62 114.58 124.18 1twh h GLU 914 Ca -0.27 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1twh h GLU 914 Cb 1.18 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1twh h GLU 914 CO 0.27 -0.08 0.00 -1.13 -1.00 0.00 0.00 179.01 177.07 1twh n SER 915 N -5.25 0.01 0.18 1.42 3.41 -1.26 -4.23 113.62 107.90 1twh n SER 915 Ca -0.04 -0.32 0.04 0.00 -0.26 0.00 0.00 58.87 58.30 1twh n SER 915 Cb 0.17 -0.01 0.34 0.00 -0.26 0.00 0.00 64.21 64.46 1twh n SER 915 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1twh h GLY 916 N 0.99 0.00 0.80 5.00 0.00 -1.51 -1.86 103.07 106.50 1twh h GLY 916 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1twh h GLY 916 CO 0.00 0.00 -0.07 1.76 0.00 0.00 0.00 176.54 178.23 1twh h SER 917 N 0.00 -0.17 0.18 0.19 0.02 -1.85 -3.24 113.55 108.68 1twh h SER 917 Ca -0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1twh h SER 917 Cb 0.82 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1twh h SER 917 CO 0.05 0.06 0.00 -1.84 -1.14 0.00 0.00 176.83 173.96 1twh n GLU 918 N -5.09 0.39 0.00 3.45 0.28 -0.76 -2.74 120.64 116.17 1twh n GLU 918 Ca -0.09 0.07 0.08 0.00 -0.16 0.00 0.00 57.16 57.06 1twh n GLU 918 Cb 0.18 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.52 1twh n GLU 918 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1twh n ILE 919 N -1.16 0.00 -1.94 3.84 -6.64 -0.85 -4.79 119.36 107.83 1twh n ILE 919 Ca 0.11 -0.28 -0.41 0.00 -1.77 0.00 0.00 62.75 60.40 1twh n ILE 919 Cb 0.10 1.14 -0.01 0.00 -1.44 0.00 0.00 39.64 39.43 1twh n ILE 919 CO 0.00 0.00 0.00 -0.22 -1.77 0.00 0.00 176.55 174.56 1twh s LEU 920 N -2.23 4.36 0.00 7.28 0.20 -1.11 -0.01 118.68 127.17 1twh s LEU 920 Ca 0.11 2.89 0.00 0.00 0.69 0.00 0.00 54.13 57.82 1twh s LEU 920 Cb 0.13 -3.67 0.00 0.00 -0.43 0.00 0.00 46.19 42.22 1twh s LEU 920 CO 0.47 -0.74 0.00 0.61 -0.29 0.00 0.00 176.35 176.40 1twh n GLY 921 N 0.60 0.00 3.68 7.98 0.00 0.42 -4.90 105.19 112.98 1twh n GLY 921 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1twh n GLY 921 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1twh s ASP 922 N -1.99 7.03 0.07 1.61 -1.08 0.99 -4.82 116.67 118.48 1twh s ASP 922 Ca 0.00 1.78 -0.02 0.00 -0.52 0.00 0.00 52.55 53.79 1twh s ASP 922 Cb 0.00 -2.55 -0.27 0.00 -1.46 0.00 0.00 42.92 38.63 1twh s ASP 922 CO 0.00 -0.62 1.11 -0.07 0.52 0.00 0.00 175.17 176.11 1twh h LEU 923 N 8.52 0.36 0.00 -1.34 3.38 -1.90 -2.91 115.31 121.41 1twh h LEU 923 Ca -0.32 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.23 1twh h LEU 923 Cb 1.15 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1twh h LEU 923 CO 0.90 1.32 -0.45 0.11 0.09 0.00 0.00 178.44 180.41 1twh h LYS 924 N 0.06 0.00 -0.03 1.13 1.57 -1.98 -2.78 116.57 114.54 1twh h LYS 924 Ca -0.14 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.52 1twh h LYS 924 Cb 1.95 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.27 1twh h LYS 924 CO 0.19 0.05 -0.47 -0.07 -0.57 0.00 0.00 179.45 178.58 1twh h LEU 925 N 0.00 0.46 -2.17 2.94 3.38 -1.95 -3.22 115.31 114.75 1twh h LEU 925 Ca -0.01 -0.72 -0.00 0.00 0.09 0.00 0.00 57.88 57.24 1twh h LEU 925 Cb 1.06 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1twh h LEU 925 CO 0.01 1.12 -0.00 -0.61 0.09 0.00 0.00 178.44 179.05 1twh h GLN 926 N -0.15 0.00 -0.66 1.13 5.75 -1.44 0.22 115.11 119.96 1twh h GLN 926 Ca -0.05 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1twh h GLN 926 Cb 1.16 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.68 1twh h GLN 926 CO 0.09 0.00 0.42 0.28 -2.65 0.00 0.00 178.83 176.97 1twh h VAL 927 N 0.00 1.18 -0.07 2.39 2.07 -1.50 0.32 116.25 120.63 1twh h VAL 927 Ca -0.00 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 1twh h VAL 927 Cb 0.00 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 1twh h VAL 927 CO 0.00 0.18 -0.11 -0.07 0.02 0.00 0.00 177.57 177.59 1twh h LEU 928 N 0.91 0.23 -1.75 2.57 3.38 -0.64 -1.43 115.31 118.57 1twh h LEU 928 Ca 0.24 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1twh h LEU 928 Cb -0.07 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1twh h LEU 928 CO -0.05 0.72 0.08 -0.07 0.09 0.00 0.00 178.44 179.21 1twh h LEU 929 N -0.25 0.21 -0.39 1.67 3.38 -1.49 -0.70 115.31 117.73 1twh h LEU 929 Ca 0.01 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 1twh h LEU 929 Cb 0.67 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1twh h LEU 929 CO 0.03 0.19 -0.65 0.44 0.09 0.00 0.00 178.44 178.53 1twh h ASP 930 N 0.24 0.69 -0.52 -0.43 3.32 -0.80 -1.73 116.42 117.19 1twh h ASP 930 Ca 0.06 -0.41 0.05 0.00 0.02 0.00 0.00 57.03 56.76 1twh h ASP 930 Cb 0.04 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 1twh h ASP 930 CO -0.01 1.16 0.35 -0.08 -1.72 0.00 0.00 179.24 178.94 1twh h GLU 931 N 0.43 0.50 -0.06 3.56 4.81 -0.11 -1.07 114.58 122.64 1twh h GLU 931 Ca -0.02 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1twh h GLU 931 Cb 1.23 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 1twh h GLU 931 CO 0.12 0.33 -0.04 1.49 -0.73 0.00 0.00 179.01 180.18 1twh h GLU 932 N 0.51 0.14 -0.26 1.92 4.81 -0.95 -3.00 114.58 117.75 1twh h GLU 932 Ca 0.22 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1twh h GLU 932 Cb 0.23 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1twh h GLU 932 CO -0.06 0.55 -0.13 -0.92 -0.73 0.00 0.00 179.01 177.71 1twh h TYR 933 N -0.27 0.47 -0.67 0.92 3.20 -0.98 -1.27 116.97 118.38 1twh h TYR 933 Ca 0.01 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.79 1twh h TYR 933 Cb 0.51 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 1twh h TYR 933 CO 0.08 0.56 0.32 0.87 -1.64 0.00 0.00 178.16 178.36 1twh h LYS 934 N 0.41 0.96 0.00 1.82 1.57 -1.21 -0.46 116.57 119.65 1twh h LYS 934 Ca 0.08 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1twh h LYS 934 Cb 0.48 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1twh h LYS 934 CO 0.03 0.76 -0.35 0.37 -0.57 0.00 0.00 179.45 179.68 1twh h GLN 935 N 0.93 0.00 -0.35 3.15 5.75 -1.12 0.40 115.11 123.87 1twh h GLN 935 Ca 0.23 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.63 1twh h GLN 935 Cb 0.11 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 1twh h GLN 935 CO -0.03 0.35 -0.19 -0.07 -2.65 0.00 0.00 178.83 176.24 1twh h LEU 936 N 0.00 0.66 -0.23 -2.39 3.38 -0.25 -0.41 115.31 116.08 1twh h LEU 936 Ca -0.00 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 1twh h LEU 936 Cb 0.64 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1twh h LEU 936 CO 0.05 0.86 -0.35 0.58 0.09 0.00 0.00 178.44 179.66 1twh h VAL 937 N 0.59 1.32 -0.71 1.22 2.07 -0.65 0.53 116.25 120.62 1twh h VAL 937 Ca 0.09 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 1twh h VAL 937 Cb 0.66 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1twh h VAL 937 CO 0.05 0.49 0.41 0.11 0.02 0.00 0.00 177.57 178.64 1twh h LYS 938 N 0.33 0.97 -0.15 1.57 1.57 -0.17 -2.43 116.57 118.26 1twh h LYS 938 Ca 0.02 -0.10 0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1twh h LYS 938 Cb 0.93 -0.20 -0.06 0.00 0.08 0.00 0.00 32.23 32.99 1twh h LYS 938 CO 0.08 0.70 -0.23 -0.44 -0.57 0.00 0.00 179.45 178.99 1twh h ASP 939 N 0.97 -0.73 -0.12 0.86 3.32 0.48 0.15 116.42 121.35 1twh h ASP 939 Ca 0.25 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 1twh h ASP 939 Cb -0.00 0.33 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1twh h ASP 939 CO -0.04 -0.28 0.05 -0.09 -1.72 0.00 0.00 179.24 177.15 1twh h ARG 940 N -0.29 0.23 0.43 3.56 2.43 -0.60 0.10 114.38 120.24 1twh h ARG 940 Ca 0.11 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1twh h ARG 940 Cb 0.45 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1twh h ARG 940 CO -0.31 0.21 -0.21 0.87 -1.51 0.00 0.00 179.97 179.02 1twh h LYS 941 N 0.23 -0.56 -0.90 0.20 1.57 -0.92 -2.12 116.57 114.08 1twh h LYS 941 Ca 0.06 0.04 0.23 0.00 -1.87 0.00 0.00 60.65 59.11 1twh h LYS 941 Cb 0.08 0.13 -0.16 0.00 0.08 0.00 0.00 32.23 32.36 1twh h LYS 941 CO -0.00 -0.25 0.02 0.35 -0.57 0.00 0.00 179.45 179.00 1twh h PHE 942 N -0.98 -0.04 -0.08 -1.35 3.57 0.79 0.22 116.94 119.06 1twh h PHE 942 Ca -0.06 0.07 -0.17 0.00 3.53 0.00 0.00 57.97 61.34 1twh h PHE 942 Cb 0.56 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1twh h PHE 942 CO 0.02 -0.35 -0.68 -0.07 -2.23 0.00 0.00 178.31 175.01 1twh h LEU 943 N 0.06 0.40 -0.92 0.59 3.38 -0.64 -0.86 115.31 117.32 1twh h LEU 943 Ca 0.53 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1twh h LEU 943 Cb 1.02 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1twh h LEU 943 CO -0.82 0.96 0.00 0.03 0.09 0.00 0.00 178.44 178.70 1twh h ARG 944 N 0.24 0.00 0.00 1.13 3.08 -0.58 -0.15 114.38 118.11 1twh h ARG 944 Ca -0.02 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1twh h ARG 944 Cb 1.23 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 1twh h ARG 944 CO 0.11 0.00 -0.43 0.93 -1.07 0.00 0.00 179.97 179.51 1twh h GLU 945 N 0.00 0.00 0.15 0.04 5.08 0.47 -3.33 114.58 116.99 1twh h GLU 945 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 1twh h GLU 945 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1twh h GLU 945 CO 0.00 0.43 -1.56 0.28 -1.00 0.00 0.00 179.01 177.16 1twh h VAL 946 N 0.00 1.14 -3.42 3.13 2.07 -0.84 -3.39 116.25 114.94 1twh h VAL 946 Ca -0.00 -2.74 -0.69 0.00 0.82 0.00 0.00 66.70 64.09 1twh h VAL 946 Cb 0.98 2.80 -0.36 0.00 -1.52 0.00 0.00 31.29 33.19 1twh h VAL 946 CO 0.06 0.83 -0.27 -0.36 0.02 0.00 0.00 177.57 177.84 1twh s PHE 947 N -2.61 3.61 0.35 1.57 0.40 -0.53 -4.94 117.98 115.84 1twh s PHE 947 Ca -0.10 -2.91 0.39 0.00 -0.60 0.00 0.00 56.93 53.71 1twh s PHE 947 Cb 0.06 -3.17 1.88 0.00 0.51 0.00 0.00 43.02 42.30 1twh s PHE 947 CO 0.87 -0.77 2.16 0.28 0.70 0.00 0.00 175.22 178.45 1twh h VAL 948 N 4.70 0.00 0.00 -0.44 2.07 -1.77 -1.81 116.25 119.00 1twh h VAL 948 Ca 0.07 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 1twh h VAL 948 Cb 0.88 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1twh h VAL 948 CO 0.77 0.00 -0.28 -0.78 0.02 0.00 0.00 177.57 177.30 1twh h ASP 949 N 0.00 0.00 0.00 0.57 -0.00 -1.86 -3.47 116.42 111.67 1twh h ASP 949 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1twh h ASP 949 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.58 1twh h ASP 949 CO 0.00 0.28 0.00 0.61 -0.00 0.00 0.00 179.24 180.13 1twh n GLY 950 N 0.71 0.77 3.67 -0.78 0.00 -0.68 -4.83 105.19 104.05 1twh n GLY 950 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1twh n GLY 950 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1twh s GLU 951 N -0.58 4.19 0.11 1.61 2.56 -1.26 -4.75 118.70 120.58 1twh s GLU 951 Ca 0.00 2.26 0.21 0.00 0.00 0.00 0.00 54.97 57.45 1twh s GLU 951 Cb 0.00 -3.89 -0.12 0.00 2.00 0.00 0.00 34.13 32.12 1twh s GLU 951 CO 0.00 -0.82 0.83 0.00 -0.56 0.00 0.00 175.26 174.71 1twh n ALA 952 N 6.72 2.49 -3.09 6.30 0.00 -1.26 -4.93 120.51 126.74 1twh n ALA 952 Ca 0.17 -0.38 -0.37 0.00 0.00 0.00 0.00 53.44 52.86 1twh n ALA 952 Cb 0.42 -0.96 -0.13 0.00 0.00 0.00 0.00 19.45 18.78 1twh n ALA 952 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1twh s ASN 953 N -5.19 5.09 -0.09 0.00 0.01 -1.26 -0.87 114.94 112.63 1twh s ASN 953 Ca -0.03 -0.27 -0.13 0.00 -0.71 0.00 0.00 52.86 51.72 1twh s ASN 953 Cb 0.11 -1.91 0.03 0.00 0.41 0.00 0.00 41.25 39.88 1twh s ASN 953 CO 0.83 -0.05 0.34 0.26 -1.51 0.00 0.00 177.10 176.96 1twh s TRP 954 N 1.60 -0.32 0.10 2.20 0.52 0.12 -4.85 118.94 118.30 1twh s TRP 954 Ca 0.06 0.73 -0.29 0.00 0.02 0.00 0.00 56.10 56.61 1twh s TRP 954 Cb -0.15 0.12 -0.06 0.00 -1.15 0.00 0.00 33.47 32.23 1twh s TRP 954 CO 0.03 -0.25 0.93 -2.14 0.02 0.00 0.00 176.95 175.54 1twh s PRO 955 N -0.30 4.67 0.07 4.98 0.02 -1.26 -1.84 135.00 141.33 1twh s PRO 955 Ca -0.04 1.39 -0.08 0.00 0.02 0.00 0.00 61.00 62.29 1twh s PRO 955 Cb -0.03 -3.38 -0.00 0.00 0.02 0.00 0.00 34.50 31.11 1twh s PRO 955 CO 0.02 0.22 0.16 -0.51 -0.33 0.00 0.00 177.00 176.56 1twh s LEU 956 N 0.01 1.53 0.78 -5.54 1.43 -0.04 -4.81 118.68 112.05 1twh s LEU 956 Ca 0.46 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.86 1twh s LEU 956 Cb -0.23 0.90 0.06 0.00 0.03 0.00 0.00 46.19 46.96 1twh s LEU 956 CO 0.29 -0.65 1.14 -2.16 0.23 0.00 0.00 176.35 175.20 1twh s PRO 957 N -3.36 2.19 -0.15 1.29 0.04 -1.26 -1.81 135.00 131.95 1twh s PRO 957 Ca 0.01 0.28 -0.04 0.00 0.04 0.00 0.00 61.00 61.29 1twh s PRO 957 Cb 0.03 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.62 1twh s PRO 957 CO -0.08 -1.47 0.08 0.28 0.04 0.00 0.00 177.00 175.85 1twh n VAL 958 N -3.27 -8.65 -2.54 -0.36 0.31 -1.26 -4.81 118.33 97.75 1twh n VAL 958 Ca 0.07 1.45 -0.41 0.00 -0.01 0.00 0.00 64.34 65.45 1twh n VAL 958 Cb 0.59 -5.57 -0.03 0.00 -0.91 0.00 0.00 33.84 27.92 1twh n VAL 958 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1twh s ASN 959 N -0.67 6.36 0.24 4.52 3.84 -1.26 -4.82 114.94 123.15 1twh s ASN 959 Ca -0.10 -1.11 -0.03 0.00 0.21 0.00 0.00 52.86 51.83 1twh s ASN 959 Cb 0.01 -2.57 0.28 0.00 -0.55 0.00 0.00 41.25 38.42 1twh s ASN 959 CO 0.48 -1.64 1.72 0.40 -2.79 0.00 0.00 177.10 175.27 1twh h ILE 960 N 6.57 1.25 -0.48 -5.21 5.03 -1.98 -2.60 117.51 120.09 1twh h ILE 960 Ca 0.05 -1.09 0.11 0.00 -0.12 0.00 0.00 64.86 63.81 1twh h ILE 960 Cb 1.02 0.94 -0.02 0.00 -3.03 0.00 0.00 36.82 35.73 1twh h ILE 960 CO 1.38 0.38 0.33 -0.09 -0.68 0.00 0.00 178.15 179.47 1twh h ARG 961 N 0.75 0.13 0.13 2.37 2.43 -2.00 -2.00 114.38 116.19 1twh h ARG 961 Ca 0.14 -0.01 -0.29 0.00 -0.81 0.00 0.00 59.98 59.01 1twh h ARG 961 Cb 0.52 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1twh h ARG 961 CO 0.03 0.08 -1.48 -0.09 -1.51 0.00 0.00 179.97 177.00 1twh h ARG 962 N 0.13 0.28 -1.01 0.20 2.43 -1.87 -1.20 114.38 113.34 1twh h ARG 962 Ca 0.23 -0.48 0.24 0.00 -0.81 0.00 0.00 59.98 59.15 1twh h ARG 962 Cb 0.72 0.18 -0.10 0.00 -0.42 0.00 0.00 29.97 30.35 1twh h ARG 962 CO -0.03 1.23 0.64 0.82 -1.51 0.00 0.00 179.97 181.12 1twh h ILE 963 N -0.21 0.59 -0.01 1.20 2.04 -1.11 -0.35 117.51 119.65 1twh h ILE 963 Ca -0.31 -0.17 -0.24 0.00 1.00 0.00 0.00 64.86 65.14 1twh h ILE 963 Cb 1.84 0.04 0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1twh h ILE 963 CO 0.09 0.09 -0.92 0.40 0.00 0.00 0.00 178.15 177.81 1twh h ILE 964 N 0.50 1.31 -0.42 -0.67 1.08 -1.23 0.35 117.51 118.43 1twh h ILE 964 Ca 0.58 -2.18 -0.02 0.00 -0.39 0.00 0.00 64.86 62.85 1twh h ILE 964 Cb 1.29 2.40 -0.02 0.00 -3.07 0.00 0.00 36.82 37.42 1twh h ILE 964 CO -0.32 0.67 0.16 1.56 -0.69 0.00 0.00 178.15 179.53 1twh h GLN 965 N 0.29 0.59 0.00 2.37 4.20 0.17 0.39 115.11 123.13 1twh h GLN 965 Ca -0.11 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 1twh h GLN 965 Cb 1.58 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 29.25 1twh h GLN 965 CO 0.18 0.50 -0.08 -0.91 -0.67 0.00 0.00 178.83 177.85 1twh h ASN 966 N 0.59 0.00 -0.64 1.46 2.35 -1.09 -2.72 115.58 115.53 1twh h ASN 966 Ca 0.15 -0.19 0.17 0.00 -0.55 0.00 0.00 56.30 55.88 1twh h ASN 966 Cb 0.13 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.38 1twh h ASN 966 CO -0.01 0.64 -0.01 0.00 -1.65 0.00 0.00 177.43 176.39 1twh n ALA 967 N -2.85 0.30 0.12 -0.83 0.00 0.12 -0.68 120.51 116.70 1twh n ALA 967 Ca -0.03 0.69 0.02 0.00 0.00 0.00 0.00 53.44 54.12 1twh n ALA 967 Cb 0.13 -0.49 0.11 0.00 0.00 0.00 0.00 19.45 19.19 1twh n ALA 967 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1twh n GLN 968 N -4.87 0.01 -0.04 0.00 6.02 0.12 -1.25 117.38 117.37 1twh n GLN 968 Ca 0.14 0.45 -0.06 0.00 -0.01 0.00 0.00 57.00 57.53 1twh n GLN 968 Cb 0.47 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 30.17 1twh n GLN 968 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1twh n GLN 969 N -1.55 0.18 0.15 -1.09 -0.06 0.15 -2.74 117.38 112.41 1twh n GLN 969 Ca 0.01 0.05 0.02 0.00 -2.00 0.00 0.00 57.00 55.07 1twh n GLN 969 Cb 0.04 -1.05 0.35 0.00 -4.06 0.00 0.00 30.24 25.52 1twh n GLN 969 CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 1twh h THR 970 N -0.07 1.24 -0.65 1.69 2.02 -0.64 -2.76 112.91 113.75 1twh h THR 970 Ca -0.17 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 65.86 1twh h THR 970 Cb 1.23 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1twh h THR 970 CO -0.05 0.34 0.00 0.49 0.37 0.00 0.00 175.52 176.67 1twh n PHE 971 N -4.15 1.37 -3.63 3.16 3.01 -0.38 -5.02 117.46 111.83 1twh n PHE 971 Ca -0.02 -0.60 -0.27 0.00 1.01 0.00 0.00 57.45 57.58 1twh n PHE 971 Cb 0.37 -0.20 0.03 0.00 -0.01 0.00 0.00 39.48 39.67 1twh n PHE 971 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1twh n HIS 972 N 1.16 -2.05 -3.23 1.38 8.25 -1.04 -4.78 115.22 114.90 1twh n HIS 972 Ca 0.25 0.58 -0.39 0.00 -0.26 0.00 0.00 57.72 57.91 1twh n HIS 972 Cb 0.84 -3.41 -0.06 0.00 1.12 0.00 0.00 29.99 28.48 1twh n HIS 972 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1twh s ILE 973 N -3.34 4.98 -0.22 1.59 -1.09 -1.11 -4.99 121.20 117.03 1twh s ILE 973 Ca 0.35 1.18 -0.10 0.00 -2.23 0.00 0.00 60.65 59.85 1twh s ILE 973 Cb -0.13 -3.90 -0.05 0.00 -1.58 0.00 0.00 42.46 36.80 1twh s ILE 973 CO 0.85 0.40 0.14 1.51 -1.23 0.00 0.00 174.94 176.61 1twh s ASP 974 N -0.02 6.11 0.00 3.58 1.47 -1.26 -4.95 116.67 121.60 1twh s ASP 974 Ca 0.30 0.16 0.09 0.00 1.18 0.00 0.00 52.55 54.29 1twh s ASP 974 Cb -0.17 -2.08 0.56 0.00 -0.34 0.00 0.00 42.92 40.88 1twh s ASP 974 CO 0.16 0.13 1.11 1.41 0.68 0.00 0.00 175.17 178.66 1twh n HIS 975 N 3.86 0.00 -2.11 2.11 8.25 -1.26 -3.54 115.22 122.52 1twh n HIS 975 Ca -0.16 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.29 1twh n HIS 975 Cb 0.52 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.73 1twh n HIS 975 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1twh n THR 976 N -0.71 1.53 -3.76 1.59 -2.24 -1.26 -4.96 114.28 104.46 1twh n THR 976 Ca 0.07 -2.78 -0.12 0.00 -2.27 0.00 0.00 64.05 58.95 1twh n THR 976 Cb 0.03 0.15 -0.12 0.00 -2.10 0.00 0.00 70.33 68.29 1twh n THR 976 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1twh s LYS 977 N -2.51 0.31 0.80 -0.78 1.02 -1.23 -5.14 119.74 112.21 1twh s LYS 977 Ca 0.38 0.47 -0.14 0.00 0.02 0.00 0.00 55.97 56.69 1twh s LYS 977 Cb 0.38 0.08 0.04 0.00 -0.52 0.00 0.00 37.83 37.80 1twh s LYS 977 CO -0.07 -0.08 0.90 -0.35 -0.92 0.00 0.00 175.35 174.83 1twh n PRO 978 N 3.36 0.19 -3.59 -1.68 -0.04 0.10 -4.87 135.00 128.48 1twh n PRO 978 Ca -0.17 0.13 -0.21 0.00 -0.04 0.00 0.00 63.50 63.21 1twh n PRO 978 Cb 0.57 -2.19 -0.01 0.00 -0.04 0.00 0.00 33.50 31.83 1twh n PRO 978 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1twh s SER 979 N -1.89 6.13 0.00 3.54 0.15 -0.82 -4.65 113.70 116.17 1twh s SER 979 Ca 0.69 0.05 0.19 0.00 0.70 0.00 0.00 55.95 57.58 1twh s SER 979 Cb -0.30 -1.62 0.56 0.00 -1.71 0.00 0.00 66.02 62.96 1twh s SER 979 CO 0.55 -0.31 1.44 -0.90 1.20 0.00 0.00 173.24 175.22 1twh n ASP 980 N -1.62 2.25 -4.71 5.45 5.75 -1.26 -0.73 116.55 121.68 1twh n ASP 980 Ca -0.04 -1.86 -0.43 0.00 -0.01 0.00 0.00 54.79 52.44 1twh n ASP 980 Cb 0.57 -0.20 -0.03 0.00 -1.03 0.00 0.00 41.12 40.44 1twh n ASP 980 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1twh n LEU 981 N 0.71 3.73 -4.88 -2.12 4.77 -1.26 -4.79 117.00 113.17 1twh n LEU 981 Ca 0.16 1.10 -0.30 0.00 -0.03 0.00 0.00 56.01 56.94 1twh n LEU 981 Cb 0.40 -1.52 -0.00 0.00 -2.33 0.00 0.00 43.42 39.96 1twh n LEU 981 CO 0.13 -0.04 0.59 -0.89 -1.33 0.00 0.00 177.39 175.84 1twh s THR 982 N 0.62 4.76 0.26 -5.08 2.01 -1.26 -4.78 115.64 112.18 1twh s THR 982 Ca 0.72 0.68 -0.07 0.00 0.31 0.00 0.00 61.69 63.33 1twh s THR 982 Cb -0.57 -3.83 0.35 0.00 0.01 0.00 0.00 72.50 68.46 1twh s THR 982 CO 0.40 -0.91 1.60 0.40 -0.69 0.00 0.00 174.62 175.42 1twh h ILE 983 N 0.20 0.18 0.00 1.82 5.03 -2.00 0.45 117.51 123.19 1twh h ILE 983 Ca -0.46 -0.01 -0.08 0.00 -0.12 0.00 0.00 64.86 64.19 1twh h ILE 983 Cb 1.19 0.14 -0.01 0.00 -3.03 0.00 0.00 36.82 35.11 1twh h ILE 983 CO 0.62 0.01 -0.38 0.11 -0.68 0.00 0.00 178.15 177.83 1twh h LYS 984 N 0.04 0.00 -0.30 2.37 1.57 -1.97 -1.19 116.57 117.08 1twh h LYS 984 Ca 0.45 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.26 1twh h LYS 984 Cb 0.79 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 1twh h LYS 984 CO -0.82 0.38 0.10 -0.44 -0.57 0.00 0.00 179.45 178.10 1twh h ASP 985 N 0.00 0.11 0.61 0.86 3.32 -0.49 0.79 116.42 121.62 1twh h ASP 985 Ca -0.00 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1twh h ASP 985 Cb 1.29 0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.87 1twh h ASP 985 CO 0.05 0.10 -0.29 0.40 -1.72 0.00 0.00 179.24 177.78 1twh h ILE 986 N 0.24 0.00 0.59 0.35 2.04 -1.24 0.14 117.51 119.63 1twh h ILE 986 Ca 0.13 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1twh h ILE 986 Cb 0.10 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.19 1twh h ILE 986 CO -0.14 0.00 -0.28 0.58 0.00 0.00 0.00 178.15 178.31 1twh h VAL 987 N -1.03 0.42 0.00 1.67 2.07 -1.27 -2.23 116.25 115.88 1twh h VAL 987 Ca -0.08 -0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 1twh h VAL 987 Cb 0.63 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1twh h VAL 987 CO 0.14 0.00 -0.23 -0.07 0.02 0.00 0.00 177.57 177.43 1twh h LEU 988 N -0.79 0.00 -1.12 2.57 3.38 -0.93 -2.64 115.31 115.79 1twh h LEU 988 Ca -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1twh h LEU 988 Cb 0.61 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1twh h LEU 988 CO 0.13 0.23 0.35 1.23 0.09 0.00 0.00 178.44 180.47 1twh h GLY 989 N 2.00 1.04 1.16 0.83 0.00 -0.48 -1.98 103.07 105.64 1twh h GLY 989 Ca -0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 47.33 46.66 1twh h GLY 989 CO 0.03 0.46 -1.34 -2.08 0.00 0.00 0.00 176.54 173.60 1twh h VAL 990 N 0.97 0.67 -0.35 4.60 2.07 -1.30 -2.87 116.25 120.03 1twh h VAL 990 Ca 0.24 -2.22 -0.08 0.00 0.82 0.00 0.00 66.70 65.45 1twh h VAL 990 Cb 0.07 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1twh h VAL 990 CO -0.03 0.38 -0.13 0.11 0.02 0.00 0.00 177.57 177.91 1twh h LYS 991 N 0.00 0.63 -0.25 1.57 1.57 -1.33 -2.86 116.57 115.89 1twh h LYS 991 Ca -0.16 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.31 1twh h LYS 991 Cb 1.65 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.90 1twh h LYS 991 CO 0.06 0.74 -0.28 0.22 -0.57 0.00 0.00 179.45 179.62 1twh h ASP 992 N 0.57 0.69 -0.35 0.86 3.58 -1.24 -3.19 116.42 117.34 1twh h ASP 992 Ca 0.10 -0.48 0.04 0.00 0.42 0.00 0.00 57.03 57.11 1twh h ASP 992 Cb 0.56 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 1twh h ASP 992 CO 0.04 1.03 0.24 0.25 -2.88 0.00 0.00 179.24 177.91 1twh h LEU 993 N 0.36 0.25 -1.15 2.28 5.85 -1.28 -0.06 115.31 121.55 1twh h LEU 993 Ca 0.04 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1twh h LEU 993 Cb 0.85 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1twh h LEU 993 CO 0.07 0.17 0.11 1.56 -0.34 0.00 0.00 178.44 180.01 1twh h GLN 994 N 0.29 0.70 0.00 1.25 4.20 -1.52 0.59 115.11 120.62 1twh h GLN 994 Ca 0.15 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1twh h GLN 994 Cb 0.23 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1twh h GLN 994 CO -0.03 0.64 0.00 0.39 -0.67 0.00 0.00 178.83 179.16 1twh n GLU 995 N -4.30 0.11 -0.20 1.46 -0.58 -0.04 -3.60 120.64 113.49 1twh n GLU 995 Ca 0.03 0.46 0.10 0.00 -0.42 0.00 0.00 57.16 57.33 1twh n GLU 995 Cb 0.21 -1.76 0.21 0.00 -0.57 0.00 0.00 31.44 29.53 1twh n GLU 995 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1twh n ASN 996 N -1.98 3.34 -4.40 1.62 3.02 0.20 -4.78 115.26 112.28 1twh n ASN 996 Ca 0.01 -1.95 -0.45 0.00 -0.03 0.00 0.00 54.58 52.17 1twh n ASN 996 Cb 0.13 -0.27 -0.00 0.00 -0.61 0.00 0.00 39.78 39.03 1twh n ASN 996 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1twh s LEU 997 N -1.27 5.71 -0.12 3.41 1.43 -1.24 -4.94 118.68 121.66 1twh s LEU 997 Ca 0.36 -3.21 -0.05 0.00 -1.03 0.00 0.00 54.13 50.20 1twh s LEU 997 Cb 0.20 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 1twh s LEU 997 CO 0.28 -0.55 0.06 -0.76 0.23 0.00 0.00 176.35 175.61 1twh s LEU 998 N 0.28 3.90 -0.05 1.79 1.43 -1.26 -4.91 118.68 119.87 1twh s LEU 998 Ca 0.36 0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.69 1twh s LEU 998 Cb -0.06 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 1twh s LEU 998 CO -0.04 0.34 -0.05 0.52 0.23 0.00 0.00 176.35 177.35 1twh n VAL 999 N 2.39 0.26 -4.56 -1.59 0.31 -1.26 -4.93 118.33 108.96 1twh n VAL 999 Ca -0.19 -0.09 -0.30 0.00 -0.01 0.00 0.00 64.34 63.76 1twh n VAL 999 Cb 0.54 -0.96 -0.13 0.00 -0.91 0.00 0.00 33.84 32.37 1twh n VAL 999 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1twh s LEU 1000N -5.60 2.41 0.00 7.52 1.43 -1.26 -5.00 118.68 118.18 1twh s LEU 1000Ca -0.06 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 1twh s LEU 1000Cb 0.02 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 44.88 1twh s LEU 1000CO 0.10 0.21 0.00 0.54 0.23 0.00 0.00 176.35 177.43 1twh n ARG 1001N 1.23 5.62 -0.77 1.70 1.74 -1.26 -4.96 116.66 119.95 1twh n ARG 1001Ca -0.17 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.61 1twh n ARG 1001Cb 0.52 -0.47 -0.04 0.00 -1.02 0.00 0.00 32.46 31.46 1twh n ARG 1001CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1twh n GLY 1002N 0.95 -0.00 0.26 -0.13 0.00 -1.26 -4.94 105.19 100.07 1twh n GLY 1002Ca 0.00 0.43 -0.06 0.00 0.00 0.00 0.00 46.02 46.38 1twh n GLY 1002CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1twh h LYS 1003N 1.96 0.70 -6.85 1.61 3.64 -1.98 -3.37 116.57 112.28 1twh h LYS 1003Ca -0.22 -0.27 -0.43 0.00 -1.27 0.00 0.00 60.65 58.46 1twh h LYS 1003Cb 0.66 -0.04 0.22 0.00 -0.41 0.00 0.00 32.23 32.66 1twh h LYS 1003CO 0.40 0.85 -0.57 0.27 -2.27 0.00 0.00 179.45 178.13 1twh n ASN 1004N -4.13 -2.31 0.12 4.20 0.23 -1.26 -4.81 115.26 107.31 1twh n ASN 1004Ca 0.00 -0.22 -0.02 0.00 -0.53 0.00 0.00 54.58 53.81 1twh n ASN 1004Cb 0.41 -1.07 0.13 0.00 -2.08 0.00 0.00 39.78 37.17 1twh n ASN 1004CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1twh h GLU 1005N -2.49 0.01 0.50 -3.83 4.57 -1.99 -2.19 114.58 109.17 1twh h GLU 1005Ca -0.56 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.58 1twh h GLU 1005Cb 1.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 1twh h GLU 1005CO 0.42 0.68 -0.24 0.82 -1.18 0.00 0.00 179.01 179.51 1twh h ILE 1006N 0.01 0.37 -0.13 2.32 1.08 -1.93 -0.67 117.51 118.55 1twh h ILE 1006Ca -0.01 -0.44 -0.01 0.00 -0.39 0.00 0.00 64.86 64.02 1twh h ILE 1006Cb 1.19 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 35.44 1twh h ILE 1006CO 0.09 0.06 0.03 0.40 -0.69 0.00 0.00 178.15 178.03 1twh h ILE 1007N -0.98 1.07 -0.30 -0.67 1.08 -1.85 -2.36 117.51 113.50 1twh h ILE 1007Ca -0.07 -0.25 -0.14 0.00 -0.39 0.00 0.00 64.86 64.02 1twh h ILE 1007Cb 0.60 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 1twh h ILE 1007CO 0.11 0.09 -0.37 1.56 -0.69 0.00 0.00 178.15 178.85 1twh h GLN 1008N 0.18 0.69 -0.32 2.37 1.08 -1.15 0.27 115.11 118.23 1twh h GLN 1008Ca 0.05 -0.34 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 1twh h GLN 1008Cb 0.08 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 1twh h GLN 1008CO -0.00 0.94 0.21 -0.91 -0.95 0.00 0.00 178.83 178.12 1twh h ASN 1009N 0.57 0.36 -0.46 1.46 2.35 -0.72 -2.02 115.58 117.11 1twh h ASN 1009Ca 0.05 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.67 1twh h ASN 1009Cb 0.89 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 1twh h ASN 1009CO 0.08 0.26 -0.19 0.00 -1.65 0.00 0.00 177.43 175.93 1twh h ALA 1010N 1.80 0.65 -0.71 -0.83 0.00 -0.90 0.19 119.26 119.46 1twh h ALA 1010Ca 0.12 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1twh h ALA 1010Cb -0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1twh h ALA 1010CO -0.03 0.61 0.46 0.37 0.00 0.00 0.00 179.25 180.67 1twh h GLN 1011N 0.79 0.90 -0.47 0.00 5.75 -0.40 0.22 115.11 121.90 1twh h GLN 1011Ca 0.11 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.44 1twh h GLN 1011Cb 0.76 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 29.09 1twh h GLN 1011CO 0.06 0.60 -0.15 -0.09 -2.65 0.00 0.00 178.83 176.60 1twh h ARG 1012N 0.93 0.89 -0.21 1.69 2.43 -1.01 -2.90 114.38 116.21 1twh h ARG 1012Ca 0.27 -0.34 -0.18 0.00 -0.81 0.00 0.00 59.98 58.92 1twh h ARG 1012Cb -0.06 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1twh h ARG 1012CO -0.08 0.98 -0.59 -0.44 -1.51 0.00 0.00 179.97 178.34 1twh h ASP 1013N 0.79 0.87 -0.03 -3.80 3.32 -0.21 -2.10 116.42 115.27 1twh h ASP 1013Ca 0.12 -0.58 0.01 0.00 0.02 0.00 0.00 57.03 56.60 1twh h ASP 1013Cb 0.69 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 1twh h ASP 1013CO 0.05 1.30 0.14 0.00 -1.72 0.00 0.00 179.24 179.01 1twh h ALA 1014N 0.60 1.27 -0.06 3.45 0.00 -0.38 -1.24 119.26 122.90 1twh h ALA 1014Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1twh h ALA 1014Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1twh h ALA 1014CO 0.13 -0.16 0.00 1.55 0.00 0.00 0.00 179.25 180.77 1twh n VAL 1015N -3.19 0.56 -0.28 0.00 3.14 -1.17 -4.60 118.33 112.79 1twh n VAL 1015Ca -0.02 -0.78 0.04 0.00 -2.96 0.00 0.00 64.34 60.62 1twh n VAL 1015Cb 0.21 0.75 0.18 0.00 -1.06 0.00 0.00 33.84 33.93 1twh n VAL 1015CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 1twh h THR 1016N 0.67 0.83 0.16 1.55 2.02 -0.49 -1.44 112.91 116.21 1twh h THR 1016Ca 0.00 -0.23 -0.32 0.00 0.77 0.00 0.00 66.41 66.62 1twh h THR 1016Cb 0.39 0.09 0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1twh h THR 1016CO 0.00 0.12 -1.59 0.25 0.37 0.00 0.00 175.52 174.67 1twh h LEU 1017N 0.68 0.53 -1.07 2.58 5.85 -1.81 0.50 115.31 122.58 1twh h LEU 1017Ca 0.41 -0.72 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 1twh h LEU 1017Cb 0.47 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1twh h LEU 1017CO -0.29 1.60 0.52 0.15 -0.34 0.00 0.00 178.44 180.07 1twh h PHE 1018N 0.09 1.12 -0.20 1.25 3.57 -1.80 -2.76 116.94 118.21 1twh h PHE 1018Ca -0.28 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.15 1twh h PHE 1018Cb 2.06 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 40.42 1twh h PHE 1018CO 0.08 0.74 -0.22 0.00 -2.23 0.00 0.00 178.31 176.69 1twh h LEU 1021N 0.00 0.23 -0.13 0.00 5.85 -1.13 -2.67 115.31 117.45 1twh h LEU 1021Ca 0.09 -0.82 0.04 0.00 0.84 0.00 0.00 57.88 58.04 1twh h LEU 1021Cb 0.36 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 1twh h LEU 1021CO -0.00 1.02 -0.42 0.25 -0.34 0.00 0.00 178.44 178.95 1twh h LEU 1022N -0.54 -1.31 -1.94 2.25 5.85 -0.43 -1.53 115.31 117.67 1twh h LEU 1022Ca -0.04 0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1twh h LEU 1022Cb 1.07 0.53 -0.00 0.00 0.37 0.00 0.00 40.66 42.63 1twh h LEU 1022CO 0.05 -0.42 0.05 0.03 -0.34 0.00 0.00 178.44 177.81 1twh h ARG 1023N -0.49 0.08 0.00 1.25 3.08 -1.51 0.15 114.38 116.95 1twh h ARG 1023Ca 0.08 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 1twh h ARG 1023Cb 0.62 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1twh h ARG 1023CO -0.40 0.05 -0.54 0.66 -1.07 0.00 0.00 179.97 178.67 1twh h SER 1024N 0.08 0.00 0.80 7.04 4.64 -1.01 -3.12 113.55 121.98 1twh h SER 1024Ca 0.03 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 1twh h SER 1024Cb 0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1twh h SER 1024CO -0.01 0.54 -1.22 0.54 -0.87 0.00 0.00 176.83 175.82 1twh n ARG 1025N -3.80 0.62 -2.26 4.77 5.12 0.44 -4.17 116.66 117.37 1twh n ARG 1025Ca -0.01 0.08 -0.23 0.00 -1.93 0.00 0.00 57.85 55.76 1twh n ARG 1025Cb 0.57 -1.78 0.01 0.00 -1.16 0.00 0.00 32.46 30.11 1twh n ARG 1025CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1twh n LEU 1026N -2.64 4.56 -4.79 0.55 4.77 -0.58 -4.73 117.00 114.13 1twh n LEU 1026Ca -0.02 -4.81 -0.34 0.00 -0.03 0.00 0.00 56.01 50.81 1twh n LEU 1026Cb 0.59 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.36 1twh n LEU 1026CO 0.41 2.09 0.73 0.00 -1.33 0.00 0.00 177.39 179.29 1twh s ALA 1027N -3.57 2.77 0.16 -1.18 0.00 -1.18 -4.86 121.76 113.90 1twh s ALA 1027Ca 0.48 0.59 -0.24 0.00 0.00 0.00 0.00 51.96 52.78 1twh s ALA 1027Cb 0.40 -3.27 0.04 0.00 0.00 0.00 0.00 23.12 20.29 1twh s ALA 1027CO -0.05 -0.62 1.59 1.15 0.00 0.00 0.00 175.76 177.82 1twh h THR 1028N 1.05 0.19 -0.34 0.00 2.02 -1.91 0.26 112.91 114.17 1twh h THR 1028Ca -0.49 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1twh h THR 1028Cb 1.23 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1twh h THR 1028CO 0.58 0.00 0.17 -0.09 0.37 0.00 0.00 175.52 176.55 1twh h ARG 1029N -0.29 0.47 -0.15 6.66 2.43 -1.86 -0.97 114.38 120.67 1twh h ARG 1029Ca 0.16 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1twh h ARG 1029Cb 0.56 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1twh h ARG 1029CO -0.55 0.36 0.03 0.00 -1.51 0.00 0.00 179.97 178.30 1twh h ARG 1030N 0.47 0.25 0.00 0.20 2.47 -0.80 0.56 114.38 117.54 1twh h ARG 1030Ca 0.12 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 1twh h ARG 1030Cb 0.04 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1twh h ARG 1030CO -0.02 0.43 -0.12 0.28 0.56 0.00 0.00 179.97 181.10 1twh h VAL 1031N 0.03 0.37 0.00 2.04 2.07 -0.58 -0.59 116.25 119.60 1twh h VAL 1031Ca 0.05 -0.72 -0.32 0.00 0.82 0.00 0.00 66.70 66.53 1twh h VAL 1031Cb 0.30 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1twh h VAL 1031CO 0.00 0.12 -1.95 0.18 0.02 0.00 0.00 177.57 175.95 1twh n LEU 1032N -3.36 1.93 0.06 2.57 4.77 -0.42 -1.84 117.00 120.71 1twh n LEU 1032Ca -0.01 0.37 -0.10 0.00 -0.03 0.00 0.00 56.01 56.25 1twh n LEU 1032Cb 0.32 -0.84 -0.13 0.00 -2.33 0.00 0.00 43.42 40.45 1twh n LEU 1032CO 0.30 0.32 0.00 -0.61 -1.33 0.00 0.00 177.39 176.07 1twh h GLN 1033N -1.00 0.07 0.00 3.23 4.15 0.08 -3.13 115.11 118.50 1twh h GLN 1033Ca -0.48 -0.12 -0.42 0.00 0.77 0.00 0.00 58.65 58.40 1twh h GLN 1033Cb 1.40 0.04 -0.06 0.00 0.21 0.00 0.00 27.48 29.07 1twh h GLN 1033CO -0.29 1.00 -2.28 0.39 -1.93 0.00 0.00 178.83 175.71 1twh n GLU 1034N -3.36 0.59 0.00 1.69 1.02 -0.35 -4.60 120.64 115.63 1twh n GLU 1034Ca -0.05 0.32 -0.07 0.00 -0.02 0.00 0.00 57.16 57.35 1twh n GLU 1034Cb 0.97 -1.55 -0.13 0.00 -0.02 0.00 0.00 31.44 30.72 1twh n GLU 1034CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1twh h TYR 1035N -0.96 0.00 -5.48 -0.32 0.99 -1.35 -3.48 116.97 106.37 1twh h TYR 1035Ca -0.63 0.00 -0.41 0.00 2.00 0.00 0.00 58.73 59.69 1twh h TYR 1035Cb 1.57 0.00 -0.04 0.00 1.00 0.00 0.00 36.73 39.25 1twh h TYR 1035CO -0.05 0.93 -0.62 0.54 -0.00 0.00 0.00 178.16 178.96 1twh n ARG 1036N -3.08 -4.23 -1.67 4.88 5.12 -0.77 -4.92 116.66 112.00 1twh n ARG 1036Ca -0.13 0.59 -0.41 0.00 -1.93 0.00 0.00 57.85 55.98 1twh n ARG 1036Cb 1.00 -5.38 0.01 0.00 -1.16 0.00 0.00 32.46 26.93 1twh n ARG 1036CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1twh n LEU 1037N -4.04 3.48 0.00 0.55 4.77 -1.02 -4.85 117.00 115.88 1twh n LEU 1037Ca -0.02 1.08 -0.30 0.00 -0.03 0.00 0.00 56.01 56.75 1twh n LEU 1037Cb 0.55 -1.44 0.21 0.00 -2.33 0.00 0.00 43.42 40.41 1twh n LEU 1037CO 0.57 -0.98 0.89 0.35 -1.33 0.00 0.00 177.39 176.89 1twh n THR 1038N -0.32 0.00 0.14 -5.08 -2.24 -1.26 -4.68 114.28 100.85 1twh n THR 1038Ca 0.08 -0.98 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 1twh n THR 1038Cb 0.39 -1.50 0.28 0.00 -2.10 0.00 0.00 70.33 67.39 1twh n THR 1038CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1twh h LYS 1039N 0.00 0.10 0.14 -0.78 3.64 -1.96 -2.41 116.57 115.30 1twh h LYS 1039Ca -0.43 -0.04 -0.27 0.00 -1.27 0.00 0.00 60.65 58.63 1twh h LYS 1039Cb 1.20 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1twh h LYS 1039CO 0.31 0.51 -1.33 0.37 -2.27 0.00 0.00 179.45 177.03 1twh h GLN 1040N 0.08 0.30 -0.60 1.90 4.15 -1.98 0.30 115.11 119.26 1twh h GLN 1040Ca 0.01 -0.51 -0.02 0.00 0.77 0.00 0.00 58.65 58.90 1twh h GLN 1040Cb 0.79 0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.64 1twh h GLN 1040CO 0.06 1.25 0.32 0.00 -1.93 0.00 0.00 178.83 178.52 1twh h ALA 1041N 0.02 0.78 -0.33 3.38 0.00 -1.91 -1.58 119.26 119.62 1twh h ALA 1041Ca -0.27 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.55 1twh h ALA 1041Cb 1.81 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1twh h ALA 1041CO 0.11 0.31 0.16 0.35 0.00 0.00 0.00 179.25 180.18 1twh h PHE 1042N 0.82 0.29 0.00 0.00 3.57 -1.41 0.92 116.94 121.13 1twh h PHE 1042Ca 0.21 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1twh h PHE 1042Cb 0.07 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.73 1twh h PHE 1042CO -0.01 0.15 -0.04 -0.44 -2.23 0.00 0.00 178.31 175.75 1twh h ASP 1043N 0.33 0.00 0.14 0.41 3.32 -0.25 -0.05 116.42 120.31 1twh h ASP 1043Ca 0.14 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.00 1twh h ASP 1043Cb 0.06 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.63 1twh h ASP 1043CO -0.11 0.04 -0.81 -0.25 -1.72 0.00 0.00 179.24 176.39 1twh h TRP 1044N 0.00 0.56 -0.87 4.55 7.01 0.11 -3.01 115.95 124.30 1twh h TRP 1044Ca -0.00 -0.40 0.18 0.00 2.11 0.00 0.00 58.89 60.78 1twh h TRP 1044Cb 0.39 -0.02 -0.11 0.00 -2.10 0.00 0.00 29.16 27.31 1twh h TRP 1044CO 0.00 1.30 0.41 0.28 -2.79 0.00 0.00 178.44 177.65 1twh h VAL 1045N -0.35 0.60 -0.28 2.65 2.07 0.26 -1.77 116.25 119.42 1twh h VAL 1045Ca -0.14 -0.17 -0.14 0.00 0.82 0.00 0.00 66.70 67.06 1twh h VAL 1045Cb 1.63 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1twh h VAL 1045CO 0.15 0.09 -0.41 -0.07 0.02 0.00 0.00 177.57 177.35 1twh h LEU 1046N 0.50 0.73 -0.43 2.57 3.38 -1.27 -0.95 115.31 119.84 1twh h LEU 1046Ca 0.51 -0.34 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 1twh h LEU 1046Cb 0.86 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1twh h LEU 1046CO -0.45 1.05 -0.78 0.77 0.09 0.00 0.00 178.44 179.12 1twh h SER 1047N 0.56 0.01 -0.51 -0.43 4.64 -1.33 -2.70 113.55 113.78 1twh h SER 1047Ca 0.04 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 1twh h SER 1047Cb 0.95 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 1twh h SER 1047CO 0.09 0.79 0.03 0.78 -0.87 0.00 0.00 176.83 177.65 1twh h ASN 1048N 0.01 0.85 -0.66 4.97 2.35 -0.91 -0.81 115.58 121.38 1twh h ASN 1048Ca -0.01 -0.29 0.07 0.00 -0.55 0.00 0.00 56.30 55.52 1twh h ASN 1048Cb 1.38 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 39.49 1twh h ASN 1048CO 0.10 0.93 0.44 0.40 -1.65 0.00 0.00 177.43 177.65 1twh h ILE 1049N 0.75 1.00 -0.25 2.81 2.04 -1.11 0.99 117.51 123.74 1twh h ILE 1049Ca 0.15 -0.23 -0.20 0.00 1.00 0.00 0.00 64.86 65.58 1twh h ILE 1049Cb 0.47 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1twh h ILE 1049CO 0.02 0.12 -0.62 -0.08 0.00 0.00 0.00 178.15 177.59 1twh h GLU 1050N 0.66 0.86 -0.48 2.37 4.81 -1.14 -1.91 114.58 119.75 1twh h GLU 1050Ca 0.29 -0.59 -0.11 0.00 -0.13 0.00 0.00 59.36 58.82 1twh h GLU 1050Cb 0.29 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1twh h GLU 1050CO -0.09 1.22 -0.14 0.00 -0.73 0.00 0.00 179.01 179.27 1twh h ALA 1051N 0.65 0.66 -0.64 2.92 0.00 0.06 -1.55 119.26 121.36 1twh h ALA 1051Ca -0.01 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 1twh h ALA 1051Cb 1.24 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1twh h ALA 1051CO 0.13 0.58 0.05 1.96 0.00 0.00 0.00 179.25 181.98 1twh h GLN 1052N 0.79 1.10 -0.72 0.00 4.20 -0.82 -1.39 115.11 118.26 1twh h GLN 1052Ca 0.12 -0.33 0.02 0.00 0.06 0.00 0.00 58.65 58.52 1twh h GLN 1052Cb 0.69 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 1twh h GLN 1052CO 0.05 1.04 0.47 0.35 -0.67 0.00 0.00 178.83 180.07 1twh h PHE 1053N 1.01 0.88 0.00 2.96 3.57 -1.31 -0.89 116.94 123.17 1twh h PHE 1053Ca 0.19 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 1twh h PHE 1053Cb 0.51 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1twh h PHE 1053CO 0.04 0.54 -0.27 -0.07 -2.23 0.00 0.00 178.31 176.31 1twh h LEU 1054N 0.94 0.00 0.00 0.59 3.38 -0.47 -1.13 115.31 118.62 1twh h LEU 1054Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1twh h LEU 1054Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1twh h LEU 1054CO -0.08 0.27 -0.13 -1.14 0.09 0.00 0.00 178.44 177.45 1twh n ARG 1055N -3.97 0.10 -0.03 1.13 0.63 -0.43 -2.74 116.66 111.35 1twh n ARG 1055Ca -0.02 0.07 0.13 0.00 -0.92 0.00 0.00 57.85 57.11 1twh n ARG 1055Cb 0.34 -1.60 0.53 0.00 0.45 0.00 0.00 32.46 32.18 1twh n ARG 1055CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1twh n SER 1056N -1.77 1.23 -4.77 6.15 7.64 -0.43 -4.91 113.62 116.75 1twh n SER 1056Ca 0.06 -1.50 -0.36 0.00 1.01 0.00 0.00 58.87 58.08 1twh n SER 1056Cb 0.37 -0.03 -0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1twh n SER 1056CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1twh s VAL 1057N -1.93 3.03 0.55 0.44 1.01 -1.11 -2.13 120.40 120.27 1twh s VAL 1057Ca 0.37 0.72 -0.18 0.00 0.00 0.00 0.00 61.98 62.89 1twh s VAL 1057Cb 0.19 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1twh s VAL 1057CO 0.31 -0.06 1.09 0.54 0.00 0.00 0.00 175.10 176.97 1twh s VAL 1058N -1.60 3.48 -0.10 2.92 0.11 -0.04 -4.46 120.40 120.71 1twh s VAL 1058Ca 0.68 0.84 -0.18 0.00 -2.93 0.00 0.00 61.98 60.39 1twh s VAL 1058Cb -0.28 -3.33 -0.04 0.00 -1.53 0.00 0.00 36.38 31.20 1twh s VAL 1058CO 0.33 -0.28 0.48 -1.00 -3.33 0.00 0.00 175.10 171.30 1twh s HIS 1059N -2.05 3.54 0.49 1.54 3.76 -1.26 -4.94 115.29 116.36 1twh s HIS 1059Ca 0.68 0.92 -0.23 0.00 -0.15 0.00 0.00 55.06 56.28 1twh s HIS 1059Cb -0.20 -2.53 -0.08 0.00 1.11 0.00 0.00 32.58 30.88 1twh s HIS 1059CO 0.29 0.22 1.14 -2.30 -0.85 0.00 0.00 174.74 173.24 1twh n PRO 1060N 3.47 1.49 0.00 8.40 -0.02 -1.26 -1.91 135.00 145.16 1twh n PRO 1060Ca -0.08 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1twh n PRO 1060Cb 0.52 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1twh n PRO 1060CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1twh n GLY 1061N 1.02 3.24 3.76 -1.23 0.00 -0.77 -4.93 105.19 106.28 1twh n GLY 1061Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1twh n GLY 1061CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1twh s GLU 1062N -0.53 4.44 -1.27 1.61 0.41 -0.80 -1.67 118.70 120.89 1twh s GLU 1062Ca 0.00 2.09 -0.10 0.00 -0.41 0.00 0.00 54.97 56.55 1twh s GLU 1062Cb 0.00 -3.12 0.17 0.00 -1.78 0.00 0.00 34.13 29.40 1twh s GLU 1062CO 0.00 -0.08 1.84 -1.33 -0.49 0.00 0.00 175.26 175.20 1twh n MET 1063N 1.08 3.61 0.00 1.61 2.81 -1.26 -0.10 117.12 124.87 1twh n MET 1063Ca 0.00 -3.56 0.00 0.00 -1.81 0.00 0.00 57.70 52.34 1twh n MET 1063Cb 0.43 -2.93 0.00 0.00 -0.71 0.00 0.00 33.22 30.01 1twh n MET 1063CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1twh n VAL 1064N 3.41 0.00 0.00 2.03 0.31 -1.25 -3.06 118.33 119.77 1twh n VAL 1064Ca 0.39 0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.88 1twh n VAL 1064Cb 0.37 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 1twh n VAL 1064CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1twh n GLY 1065N 0.00 0.00 0.29 2.92 0.00 -1.09 -2.71 105.19 104.60 1twh n GLY 1065Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1twh n GLY 1065CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1twh h VAL 1066N 0.00 0.27 -0.88 1.61 2.07 -1.66 0.47 116.25 118.12 1twh h VAL 1066Ca 0.00 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.75 1twh h VAL 1066Cb 0.00 0.27 -0.15 0.00 -1.52 0.00 0.00 31.29 29.89 1twh h VAL 1066CO 0.00 0.00 0.11 0.25 0.02 0.00 0.00 177.57 177.95 1twh h LEU 1067N -0.07 -0.24 -0.63 2.57 5.85 -1.52 0.86 115.31 122.13 1twh h LEU 1067Ca 0.29 0.22 -0.15 0.00 0.84 0.00 0.00 57.88 59.08 1twh h LEU 1067Cb 0.52 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1twh h LEU 1067CO -0.68 -0.23 -0.62 0.00 -0.34 0.00 0.00 178.44 176.57 1twh h ALA 1068N 1.83 0.83 -0.00 1.25 0.00 -0.43 -0.51 119.26 122.23 1twh h ALA 1068Ca 0.53 -0.56 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1twh h ALA 1068Cb 1.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1twh h ALA 1068CO -0.74 0.74 -0.85 0.00 0.00 0.00 0.00 179.25 178.40 1twh h ALA 1069N 1.19 0.57 -0.02 0.00 0.00 0.22 -2.19 119.26 119.02 1twh h ALA 1069Ca -0.01 -0.71 -0.05 0.00 0.00 0.00 0.00 54.91 54.13 1twh h ALA 1069Cb 1.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1twh h ALA 1069CO 0.10 0.92 -0.20 1.96 0.00 0.00 0.00 179.25 182.02 1twh h GLN 1070N 0.10 0.17 -0.13 0.00 4.20 -1.22 0.14 115.11 118.37 1twh h GLN 1070Ca -0.04 -0.16 0.04 0.00 0.06 0.00 0.00 58.65 58.55 1twh h GLN 1070Cb 1.47 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.28 1twh h GLN 1070CO 0.13 0.85 0.11 0.77 -0.67 0.00 0.00 178.83 180.02 1twh h SER 1071N -0.45 0.00 0.16 1.46 0.02 -1.07 -1.84 113.55 111.83 1twh h SER 1071Ca -0.02 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.58 1twh h SER 1071Cb 0.90 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 1twh h SER 1071CO 0.04 0.00 -1.82 0.40 -1.14 0.00 0.00 176.83 174.31 1twh h ILE 1072N 0.00 0.83 0.34 3.27 2.04 -1.26 -3.40 117.51 119.32 1twh h ILE 1072Ca 0.06 -2.44 -0.02 0.00 1.00 0.00 0.00 64.86 63.46 1twh h ILE 1072Cb 0.29 2.67 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 1twh h ILE 1072CO -0.00 0.87 -0.16 1.23 0.00 0.00 0.00 178.15 180.08 1twh h GLY 1073N 0.77 -0.47 -0.84 5.37 0.00 -0.47 -3.14 103.07 104.28 1twh h GLY 1073Ca -0.37 0.18 0.12 0.00 0.00 0.00 0.00 47.33 47.26 1twh h GLY 1073CO 0.14 -0.17 -0.35 -2.21 0.00 0.00 0.00 176.54 173.95 1twh n GLU 1074N -5.09 -0.22 0.21 4.80 0.00 -0.71 -1.15 120.64 118.48 1twh n GLU 1074Ca -0.08 1.30 0.13 0.00 0.00 0.00 0.00 57.16 58.51 1twh n GLU 1074Cb 0.25 -1.92 0.37 0.00 0.00 0.00 0.00 31.44 30.14 1twh n GLU 1074CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 1twh h PRO 1075N 0.00 0.00 -0.08 5.31 0.13 -1.78 -3.15 132.00 132.43 1twh h PRO 1075Ca 0.27 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.36 1twh h PRO 1075Cb 0.48 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 1twh h PRO 1075CO -0.83 0.00 -0.15 0.00 -0.23 0.00 0.00 178.00 176.79 1twh h ALA 1076N 2.12 1.61 -0.54 -0.56 0.00 -1.08 -2.27 119.26 118.53 1twh h ALA 1076Ca 0.00 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.89 1twh h ALA 1076Cb 0.78 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1twh h ALA 1076CO 0.00 0.29 0.49 1.15 0.00 0.00 0.00 179.25 181.18 1twh h THR 1077N 0.12 0.47 -1.88 0.00 2.02 -1.28 -3.25 112.91 109.11 1twh h THR 1077Ca 0.02 0.00 -0.72 0.00 0.77 0.00 0.00 66.41 66.49 1twh h THR 1077Cb 0.34 0.63 -0.31 0.00 -1.74 0.00 0.00 68.15 67.07 1twh h THR 1077CO 0.02 0.00 0.55 0.00 0.37 0.00 0.00 175.52 176.46 1twh n GLN 1078N -3.94 3.03 -0.92 6.66 1.13 -0.85 -4.30 117.38 118.19 1twh n GLN 1078Ca 0.10 -3.85 -0.05 0.00 -1.94 0.00 0.00 57.00 51.27 1twh n GLN 1078Cb 0.70 -2.27 0.27 0.00 0.11 0.00 0.00 30.24 29.06 1twh n GLN 1078CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1twh n MET 1079N -0.50 3.20 -0.46 -1.09 2.81 -1.23 -4.96 117.12 114.89 1twh n MET 1079Ca 0.49 -3.07 -0.05 0.00 -1.81 0.00 0.00 57.70 53.27 1twh n MET 1079Cb 0.35 -2.10 -0.01 0.00 -0.71 0.00 0.00 33.22 30.75 1twh n MET 1079CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1twh n THR 1080N -0.44 0.00 0.00 2.03 -1.04 -1.26 -4.92 114.28 108.65 1twh n THR 1080Ca 0.38 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 1twh n THR 1080Cb 1.28 -0.60 0.00 0.00 -1.82 0.00 0.00 70.33 69.20 1twh n THR 1080CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1twh n LEU 1081N 4.00 0.00 0.00 -4.42 -0.00 -1.26 -5.07 117.00 110.26 1twh n LEU 1081Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.06 1twh n LEU 1081Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.51 1twh n LEU 1081CO 0.30 0.00 0.00 0.29 -0.00 0.00 0.00 177.39 177.98 1twh n LYS 1092N 0.00 0.00 0.00 1.47 5.02 -1.26 -5.16 118.16 118.23 1twh n LYS 1092Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 1twh n LYS 1092Cb 0.00 -0.06 0.47 0.00 -0.02 0.00 0.00 35.03 35.42 1twh n LYS 1092CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1twh n LYS 1093N -1.67 1.35 -2.72 1.97 4.01 -1.26 -4.52 118.16 115.34 1twh n LYS 1093Ca 0.00 -0.79 -0.37 0.00 -0.51 0.00 0.00 58.31 56.64 1twh n LYS 1093Cb 0.00 -1.48 -0.06 0.00 -0.51 0.00 0.00 35.03 32.98 1twh n LYS 1093CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1twh s VAL 1094N -2.19 4.08 0.37 -0.18 1.01 -1.26 -5.02 120.40 117.20 1twh s VAL 1094Ca 0.33 1.70 -0.28 0.00 0.00 0.00 0.00 61.98 63.72 1twh s VAL 1094Cb 0.20 -3.93 -0.11 0.00 0.00 0.00 0.00 36.38 32.54 1twh s VAL 1094CO 0.41 0.12 1.48 -0.89 0.00 0.00 0.00 175.10 176.21 1twh s THR 1095N -1.61 2.11 0.29 3.92 2.01 -1.26 -4.92 115.64 116.17 1twh s THR 1095Ca 0.52 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.65 1twh s THR 1095Cb -0.20 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 1twh s THR 1095CO 0.25 0.03 0.15 -0.44 -0.69 0.00 0.00 174.62 173.92 1twh s SER 1096N -0.14 1.33 0.56 3.53 0.01 -1.26 -4.74 113.70 112.98 1twh s SER 1096Ca 0.53 -1.52 0.00 0.00 1.31 0.00 0.00 55.95 56.27 1twh s SER 1096Cb -0.46 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.12 1twh s SER 1096CO 0.62 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1twh n GLY 1097N -0.53 2.79 0.22 3.44 0.00 -1.26 -2.84 105.19 107.01 1twh n GLY 1097Ca 0.01 0.14 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 1twh n GLY 1097CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1twh h VAL 1098N 0.00 1.29 -0.02 1.61 2.07 -1.94 -2.38 116.25 116.88 1twh h VAL 1098Ca 0.00 -1.87 -0.07 0.00 0.82 0.00 0.00 66.70 65.59 1twh h VAL 1098Cb 0.00 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1twh h VAL 1098CO 0.00 0.59 -0.30 -0.65 0.02 0.00 0.00 177.57 177.23 1twh h PRO 1099N 0.49 0.04 -0.31 1.57 0.11 -1.97 0.84 132.00 132.77 1twh h PRO 1099Ca -0.03 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 1twh h PRO 1099Cb 1.28 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1twh h PRO 1099CO 0.14 0.33 0.07 -0.09 -0.21 0.00 0.00 178.00 178.24 1twh h ARG 1100N 0.04 0.50 -0.22 1.05 9.65 -1.30 -2.55 114.38 121.55 1twh h ARG 1100Ca 0.00 -0.12 -0.12 0.00 -1.10 0.00 0.00 59.98 58.64 1twh h ARG 1100Cb 0.54 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 1twh h ARG 1100CO 0.04 0.58 -0.36 1.25 2.80 0.00 0.00 179.97 184.28 1twh h LEU 1101N 0.33 0.50 -1.17 3.80 5.85 -0.60 0.20 115.31 124.22 1twh h LEU 1101Ca 0.10 -0.20 0.15 0.00 0.84 0.00 0.00 57.88 58.77 1twh h LEU 1101Cb 0.31 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 1twh h LEU 1101CO 0.00 0.82 0.60 0.11 -0.34 0.00 0.00 178.44 179.63 1twh h LYS 1102N 0.41 0.75 -0.60 1.25 1.79 -0.88 -2.19 116.57 117.10 1twh h LYS 1102Ca 0.04 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 1twh h LYS 1102Cb 0.81 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.27 1twh h LYS 1102CO 0.07 0.49 0.08 1.49 -1.08 0.00 0.00 179.45 180.50 1twh h GLU 1103N 0.77 1.00 0.43 3.15 4.81 -0.22 -0.77 114.58 123.75 1twh h GLU 1103Ca 0.49 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1twh h GLU 1103Cb 0.74 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1twh h GLU 1103CO -0.26 0.95 -0.21 0.82 -0.73 0.00 0.00 179.01 179.59 1twh h ILE 1104N 0.90 0.50 0.00 2.32 1.08 -0.66 -2.41 117.51 119.25 1twh h ILE 1104Ca 0.18 -0.45 -0.06 0.00 -0.39 0.00 0.00 64.86 64.14 1twh h ILE 1104Cb 0.45 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 1twh h ILE 1104CO 0.02 0.07 -0.29 -0.07 -0.69 0.00 0.00 178.15 177.19 1twh h LEU 1105N -0.86 0.00 -0.28 1.44 3.38 -1.36 -2.09 115.31 115.53 1twh h LEU 1105Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1twh h LEU 1105Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1twh h LEU 1105CO 0.10 0.29 -0.03 0.59 0.09 0.00 0.00 178.44 179.47 1twh n ASN 1106N -3.33 0.47 -3.58 -0.43 3.02 -0.30 -2.86 115.26 108.25 1twh n ASN 1106Ca 0.01 -0.93 -0.23 0.00 -0.03 0.00 0.00 54.58 53.40 1twh n ASN 1106Cb 0.52 -0.04 0.02 0.00 -0.61 0.00 0.00 39.78 39.68 1twh n ASN 1106CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1twh n VAL 1107N -0.75 -6.14 -3.93 2.41 0.31 -0.79 -4.84 118.33 104.61 1twh n VAL 1107Ca 0.19 -0.56 -0.35 0.00 -0.01 0.00 0.00 64.34 63.61 1twh n VAL 1107Cb 0.22 -4.53 -0.06 0.00 -0.91 0.00 0.00 33.84 28.56 1twh n VAL 1107CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1twh s ALA 1108N -3.24 3.88 0.16 3.52 0.00 -1.06 -4.95 121.76 120.07 1twh s ALA 1108Ca 0.25 -0.73 0.07 0.00 0.00 0.00 0.00 51.96 51.55 1twh s ALA 1108Cb -0.09 -1.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1twh s ALA 1108CO 0.85 0.70 1.37 -0.22 0.00 0.00 0.00 175.76 178.45 1twh h LYS 1109N 4.26 0.04 -2.79 0.00 1.63 -1.92 -3.36 116.57 114.43 1twh h LYS 1109Ca -0.51 -0.05 -0.58 0.00 -0.85 0.00 0.00 60.65 58.66 1twh h LYS 1109Cb 1.20 0.02 -0.39 0.00 -0.60 0.00 0.00 32.23 32.45 1twh h LYS 1109CO 0.64 0.91 -0.81 -0.80 -3.45 0.00 0.00 179.45 175.95 1twh s ASN 1110N -6.79 3.29 0.48 4.20 0.01 -1.26 -5.07 114.94 109.80 1twh s ASN 1110Ca -0.00 -2.08 -0.08 0.00 -0.71 0.00 0.00 52.86 49.99 1twh s ASN 1110Cb 0.11 -0.56 -0.04 0.00 0.41 0.00 0.00 41.25 41.16 1twh s ASN 1110CO 0.81 -0.33 0.82 -0.32 -1.51 0.00 0.00 177.10 176.57 1twh s MET 1111N 1.14 3.62 -0.12 -0.60 1.75 -1.26 -5.01 119.30 118.82 1twh s MET 1111Ca 0.16 0.35 -0.24 0.00 -1.25 0.00 0.00 55.69 54.71 1twh s MET 1111Cb -0.22 -2.34 -0.22 0.00 2.84 0.00 0.00 34.83 34.90 1twh s MET 1111CO -0.07 -0.21 0.69 0.87 -0.65 0.00 0.00 175.02 175.65 1twh h LYS 1112N 0.43 -0.01 -2.37 4.11 1.57 -1.97 -3.38 116.57 114.95 1twh h LYS 1112Ca -0.47 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 57.61 1twh h LYS 1112Cb 1.20 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 33.16 1twh h LYS 1112CO 0.62 0.80 0.19 2.41 -0.57 0.00 0.00 179.45 182.90 1twh n THR 1113N -4.66 4.40 -2.45 -0.16 -1.04 -1.26 -5.03 114.28 104.07 1twh n THR 1113Ca -0.08 -5.73 -0.37 0.00 -2.04 0.00 0.00 64.05 55.83 1twh n THR 1113Cb 0.39 -1.68 -0.03 0.00 -1.82 0.00 0.00 70.33 67.19 1twh n THR 1113CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1twh s PRO 1114N -3.49 4.03 -0.07 -2.82 0.02 -1.26 -4.88 135.00 126.53 1twh s PRO 1114Ca 0.41 1.59 -0.21 0.00 0.02 0.00 0.00 61.00 62.80 1twh s PRO 1114Cb 0.19 -2.49 0.05 0.00 0.02 0.00 0.00 34.50 32.27 1twh s PRO 1114CO -0.07 -0.28 0.49 0.45 -0.33 0.00 0.00 177.00 177.27 1twh s SER 1115N -1.51 -0.44 -0.14 2.53 0.15 -1.26 -1.63 113.70 111.40 1twh s SER 1115Ca 0.60 0.54 0.01 0.00 0.70 0.00 0.00 55.95 57.80 1twh s SER 1115Cb -0.24 0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 64.64 1twh s SER 1115CO 0.30 -0.44 -0.16 -0.22 1.20 0.00 0.00 173.24 173.91 1twh s LEU 1116N -0.90 2.52 -0.23 3.45 2.96 -1.24 -2.72 118.68 122.52 1twh s LEU 1116Ca -0.09 -0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 53.34 1twh s LEU 1116Cb -0.03 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 1twh s LEU 1116CO 0.06 0.13 0.00 -0.89 -1.32 0.00 0.00 176.35 174.33 1twh s THR 1117N 0.55 3.76 -0.12 3.68 2.01 -0.31 -1.28 115.64 123.93 1twh s THR 1117Ca -0.10 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.56 1twh s THR 1117Cb -0.16 -2.73 -0.00 0.00 0.01 0.00 0.00 72.50 69.62 1twh s THR 1117CO 0.04 0.40 -0.20 0.68 -0.69 0.00 0.00 174.62 174.84 1twh s VAL 1118N 1.45 2.36 0.32 3.82 -7.23 0.39 -2.22 120.40 119.29 1twh s VAL 1118Ca 0.05 -0.90 0.09 0.00 -1.81 0.00 0.00 61.98 59.41 1twh s VAL 1118Cb -0.15 -1.94 -0.05 0.00 0.56 0.00 0.00 36.38 34.80 1twh s VAL 1118CO -0.00 0.54 0.01 -0.31 -0.31 0.00 0.00 175.10 175.03 1twh s TYR 1119N 0.48 2.58 0.34 2.82 1.51 -1.26 -1.58 117.35 122.23 1twh s TYR 1119Ca -0.14 -0.37 -0.06 0.00 -1.01 0.00 0.00 57.07 55.49 1twh s TYR 1119Cb -0.17 -1.39 -0.05 0.00 -0.11 0.00 0.00 41.96 40.24 1twh s TYR 1119CO 0.05 0.52 0.63 -0.51 -1.11 0.00 0.00 175.55 175.13 1twh s LEU 1120N -3.70 3.95 0.14 -1.29 1.02 -1.26 -0.46 118.68 117.07 1twh s LEU 1120Ca 0.34 0.83 -0.35 0.00 0.02 0.00 0.00 54.13 54.97 1twh s LEU 1120Cb -0.02 -3.68 -0.15 0.00 0.02 0.00 0.00 46.19 42.36 1twh s LEU 1120CO 0.19 -0.29 1.42 1.21 0.02 0.00 0.00 176.35 178.90 1twh n GLU 1121N -1.22 1.62 -0.33 1.70 2.13 -1.05 -4.09 120.64 119.41 1twh n GLU 1121Ca -0.01 0.58 -0.08 0.00 0.66 0.00 0.00 57.16 58.32 1twh n GLU 1121Cb 0.54 -2.26 -0.04 0.00 0.27 0.00 0.00 31.44 29.95 1twh n GLU 1121CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1twh h PRO 1122N 4.96 -0.10 0.04 5.31 0.11 -1.93 -0.72 132.00 139.67 1twh h PRO 1122Ca -0.46 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.67 1twh h PRO 1122Cb 1.30 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.39 1twh h PRO 1122CO 0.81 -0.06 -0.38 0.78 -0.21 0.00 0.00 178.00 178.94 1twh h GLY 1123N -0.10 -1.20 -1.10 -0.55 0.00 -2.01 -3.26 103.07 94.85 1twh h GLY 1123Ca 0.21 0.63 0.00 0.00 0.00 0.00 0.00 47.33 48.17 1twh h GLY 1123CO -0.85 -0.32 0.00 1.42 0.00 0.00 0.00 176.54 176.79 1twh n HIS 1124N -4.61 0.14 0.87 5.60 8.25 -0.35 -4.28 115.22 120.86 1twh n HIS 1124Ca -0.06 -0.05 0.13 0.00 -0.26 0.00 0.00 57.72 57.48 1twh n HIS 1124Cb 0.29 -0.12 0.55 0.00 1.12 0.00 0.00 29.99 31.83 1twh n HIS 1124CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1twh n ALA 1125N 0.01 2.21 -2.58 -1.41 0.00 -0.78 -3.28 120.51 114.68 1twh n ALA 1125Ca 0.02 -0.08 -0.29 0.00 0.00 0.00 0.00 53.44 53.09 1twh n ALA 1125Cb 0.30 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.30 1twh n ALA 1125CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1twh n ALA 1126N -1.54 5.14 -3.45 0.00 0.00 -1.26 -2.69 120.51 116.71 1twh n ALA 1126Ca 0.06 -4.44 -0.43 0.00 0.00 0.00 0.00 53.44 48.63 1twh n ALA 1126Cb 0.32 -0.83 -0.04 0.00 0.00 0.00 0.00 19.45 18.91 1twh n ALA 1126CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1twh s ASP 1127N -3.17 6.42 0.16 0.00 1.01 -1.21 -4.96 116.67 114.93 1twh s ASP 1127Ca 0.48 -2.99 0.12 0.00 0.71 0.00 0.00 52.55 50.87 1twh s ASP 1127Cb 0.35 -2.10 0.55 0.00 1.01 0.00 0.00 42.92 42.74 1twh s ASP 1127CO -0.19 -0.44 0.57 1.67 0.21 0.00 0.00 175.17 176.99 1twh n GLN 1128N 3.47 -0.01 0.06 8.23 7.27 -1.26 -0.63 117.38 134.50 1twh n GLN 1128Ca 0.15 0.46 0.05 0.00 0.07 0.00 0.00 57.00 57.73 1twh n GLN 1128Cb 0.43 -0.90 -0.05 0.00 2.41 0.00 0.00 30.24 32.12 1twh n GLN 1128CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1twh n GLU 1129N -3.34 0.62 0.03 3.69 0.00 -1.26 -1.45 120.64 118.92 1twh n GLU 1129Ca 0.15 0.15 0.13 0.00 0.00 0.00 0.00 57.16 57.59 1twh n GLU 1129Cb 0.58 -1.79 0.47 0.00 0.00 0.00 0.00 31.44 30.70 1twh n GLU 1129CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1twh n GLN 1130N -2.76 0.08 0.01 5.31 0.00 0.20 -2.59 117.38 117.63 1twh n GLN 1130Ca -0.06 0.05 -0.17 0.00 -0.00 0.00 0.00 57.00 56.82 1twh n GLN 1130Cb 0.71 -1.58 -0.14 0.00 0.00 0.00 0.00 30.24 29.23 1twh n GLN 1130CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1twh h ALA 1131N 2.87 0.47 -0.65 1.69 0.00 -0.87 -2.13 119.26 120.64 1twh h ALA 1131Ca 0.00 -1.34 0.13 0.00 0.00 0.00 0.00 54.91 53.70 1twh h ALA 1131Cb 0.57 0.55 -0.12 0.00 0.00 0.00 0.00 17.79 18.79 1twh h ALA 1131CO 0.00 1.33 -0.12 0.87 0.00 0.00 0.00 179.25 181.33 1twh h LYS 1132N 0.06 0.03 -0.22 0.00 1.57 -1.49 0.13 116.57 116.65 1twh h LYS 1132Ca -0.35 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.36 1twh h LYS 1132Cb 2.03 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.32 1twh h LYS 1132CO 0.11 0.02 -0.15 -0.07 -0.57 0.00 0.00 179.45 178.78 1twh h LEU 1133N 0.03 0.35 -0.23 2.94 3.38 -1.37 -0.32 115.31 120.09 1twh h LEU 1133Ca 0.32 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 1twh h LEU 1133Cb 0.51 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1twh h LEU 1133CO -0.64 0.53 -0.13 0.40 0.09 0.00 0.00 178.44 178.69 1twh h ILE 1134N 0.34 1.31 -0.93 1.22 5.03 -0.12 -0.27 117.51 124.09 1twh h ILE 1134Ca 0.06 -1.22 0.20 0.00 -0.12 0.00 0.00 64.86 63.78 1twh h ILE 1134Cb 0.47 1.60 -0.11 0.00 -3.03 0.00 0.00 36.82 35.76 1twh h ILE 1134CO 0.03 0.38 0.50 -0.09 -0.68 0.00 0.00 178.15 178.28 1twh h ARG 1135N 0.21 0.57 0.00 2.37 2.43 -0.01 0.91 114.38 120.86 1twh h ARG 1135Ca 0.05 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1twh h ARG 1135Cb 0.64 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1twh h ARG 1135CO 0.04 0.38 -1.09 -1.13 -1.51 0.00 0.00 179.97 176.65 1twh n SER 1136N -4.90 0.67 0.00 -3.80 3.41 -0.24 -0.29 113.62 108.47 1twh n SER 1136Ca 0.22 0.15 0.15 0.00 -0.26 0.00 0.00 58.87 59.12 1twh n SER 1136Cb 0.59 0.69 0.79 0.00 -0.26 0.00 0.00 64.21 66.01 1twh n SER 1136CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1twh n ALA 1137N -2.07 2.50 -0.07 7.33 0.00 0.30 -3.67 120.51 124.83 1twh n ALA 1137Ca 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 53.44 53.21 1twh n ALA 1137Cb 0.51 -1.48 -0.08 0.00 0.00 0.00 0.00 19.45 18.40 1twh n ALA 1137CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1twh n ILE 1138N -1.21 0.82 -2.18 0.00 5.41 0.60 -3.52 119.36 119.28 1twh n ILE 1138Ca 0.16 -0.40 -0.42 0.00 1.00 0.00 0.00 62.75 63.09 1twh n ILE 1138Cb 0.20 -0.86 -0.03 0.00 -0.71 0.00 0.00 39.64 38.24 1twh n ILE 1138CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1twh s GLU 1139N -2.29 4.32 0.17 0.38 2.12 0.17 -0.96 118.70 122.62 1twh s GLU 1139Ca -0.13 2.06 -0.30 0.00 0.36 0.00 0.00 54.97 56.96 1twh s GLU 1139Cb 0.04 -3.27 -0.07 0.00 0.26 0.00 0.00 34.13 31.09 1twh s GLU 1139CO 0.40 -0.44 1.05 -1.58 -0.54 0.00 0.00 175.26 174.15 1twh s HIS 1140N 1.17 3.69 -0.09 5.30 5.65 -0.71 -4.02 115.29 126.28 1twh s HIS 1140Ca 0.64 1.69 -0.02 0.00 0.25 0.00 0.00 55.06 57.62 1twh s HIS 1140Cb -0.36 -3.19 0.04 0.00 -1.18 0.00 0.00 32.58 27.89 1twh s HIS 1140CO 0.30 -0.28 0.04 0.99 -0.65 0.00 0.00 174.74 175.14 1twh s THR 1141N -0.31 0.16 0.35 0.89 2.01 -0.70 -4.94 115.64 113.10 1twh s THR 1141Ca 0.48 0.09 0.08 0.00 0.31 0.00 0.00 61.69 62.65 1twh s THR 1141Cb -0.28 -0.47 -0.05 0.00 0.01 0.00 0.00 72.50 71.72 1twh s THR 1141CO 0.33 0.09 0.12 0.42 -0.69 0.00 0.00 174.62 174.90 1twh s THR 1142N 2.05 2.84 0.50 -0.82 -4.23 -1.26 0.23 115.64 114.94 1twh s THR 1142Ca 0.04 -1.75 0.17 0.00 -1.18 0.00 0.00 61.69 58.97 1twh s THR 1142Cb -0.13 -2.94 0.31 0.00 1.34 0.00 0.00 72.50 71.07 1twh s THR 1142CO -0.05 -0.16 2.08 0.25 -0.54 0.00 0.00 174.62 176.20 1twh h LEU 1143N 1.58 0.11 -1.21 4.79 5.85 -1.64 0.43 115.31 125.22 1twh h LEU 1143Ca -0.43 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 1twh h LEU 1143Cb 1.25 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 1twh h LEU 1143CO 0.65 0.07 0.33 0.50 -0.34 0.00 0.00 178.44 179.65 1twh h LYS 1144N 0.12 0.88 0.00 1.25 3.64 -1.54 0.14 116.57 121.07 1twh h LYS 1144Ca 0.11 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1twh h LYS 1144Cb 0.29 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1twh h LYS 1144CO -0.01 0.66 0.00 -1.13 -2.27 0.00 0.00 179.45 176.69 1twh n SER 1145N -4.37 0.00 -0.37 4.20 3.41 0.15 -3.27 113.62 113.37 1twh n SER 1145Ca 0.06 0.04 0.05 0.00 -0.26 0.00 0.00 58.87 58.76 1twh n SER 1145Cb 0.11 -0.31 0.03 0.00 -0.26 0.00 0.00 64.21 63.78 1twh n SER 1145CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1twh n VAL 1146N -1.31 0.00 -3.63 -3.33 0.31 0.48 -4.98 118.33 105.87 1twh n VAL 1146Ca 0.10 -0.46 -0.37 0.00 -0.01 0.00 0.00 64.34 63.60 1twh n VAL 1146Cb 0.19 1.19 -0.10 0.00 -0.91 0.00 0.00 33.84 34.22 1twh n VAL 1146CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1twh s THR 1147N -1.10 5.34 -0.03 2.52 2.01 -1.06 0.02 115.64 123.35 1twh s THR 1147Ca 0.12 0.21 -0.23 0.00 0.31 0.00 0.00 61.69 62.10 1twh s THR 1147Cb 0.09 -3.52 -0.22 0.00 0.01 0.00 0.00 72.50 68.86 1twh s THR 1147CO 0.18 0.32 1.09 0.40 -0.69 0.00 0.00 174.62 175.92 1twh h ILE 1148N 5.09 1.49 -2.16 1.82 2.04 0.26 -3.46 117.51 122.60 1twh h ILE 1148Ca -0.37 -1.87 -0.07 0.00 1.00 0.00 0.00 64.86 63.55 1twh h ILE 1148Cb 1.17 2.60 -0.19 0.00 -0.74 0.00 0.00 36.82 39.66 1twh h ILE 1148CO 0.64 0.52 0.11 0.00 0.00 0.00 0.00 178.15 179.42 1twh s ALA 1149N -3.32 -1.62 0.29 1.87 0.00 -1.20 -5.03 121.76 112.74 1twh s ALA 1149Ca -0.15 1.22 0.09 0.00 0.00 0.00 0.00 51.96 53.11 1twh s ALA 1149Cb 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1twh s ALA 1149CO 0.76 -0.35 0.09 -1.54 0.00 0.00 0.00 175.76 174.72 1twh s SER 1150N -1.09 4.79 -0.04 0.00 1.04 -1.26 -1.63 113.70 115.52 1twh s SER 1150Ca -0.11 -0.61 -0.11 0.00 0.48 0.00 0.00 55.95 55.61 1twh s SER 1150Cb -0.01 -0.91 0.02 0.00 0.10 0.00 0.00 66.02 65.21 1twh s SER 1150CO 0.08 -0.11 0.24 -1.61 0.98 0.00 0.00 173.24 172.82 1twh s GLU 1151N -3.77 0.49 -0.15 4.02 2.02 0.51 -4.97 118.70 116.85 1twh s GLU 1151Ca 0.34 -0.07 -0.01 0.00 0.02 0.00 0.00 54.97 55.25 1twh s GLU 1151Cb -0.05 0.22 -0.02 0.00 0.10 0.00 0.00 34.13 34.38 1twh s GLU 1151CO 0.22 -0.11 -0.10 0.42 0.02 0.00 0.00 175.26 175.71 1twh s ILE 1152N -0.85 3.23 0.23 -1.63 1.01 -1.26 -0.27 121.20 121.67 1twh s ILE 1152Ca -0.09 -0.58 0.12 0.00 0.00 0.00 0.00 60.65 60.09 1twh s ILE 1152Cb -0.05 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.99 1twh s ILE 1152CO 0.02 0.50 -0.22 -0.31 0.00 0.00 0.00 174.94 174.93 1twh s TYR 1153N 0.57 2.29 -0.24 3.97 1.51 -0.27 -4.99 117.35 120.19 1twh s TYR 1153Ca -0.06 -0.35 -0.16 0.00 -1.01 0.00 0.00 57.07 55.49 1twh s TYR 1153Cb -0.15 -1.08 -0.04 0.00 -0.11 0.00 0.00 41.96 40.58 1twh s TYR 1153CO 0.03 0.59 0.40 -0.47 -1.11 0.00 0.00 175.55 174.99 1twh s TYR 1154N -2.01 3.30 -0.45 2.71 5.04 -1.26 -0.61 117.35 124.07 1twh s TYR 1154Ca 0.24 0.53 0.05 0.00 -2.44 0.00 0.00 57.07 55.45 1twh s TYR 1154Cb -0.07 -2.57 0.18 0.00 0.35 0.00 0.00 41.96 39.85 1twh s TYR 1154CO 0.12 -0.14 0.52 0.34 -1.34 0.00 0.00 175.55 175.05 1twh s ASP 1155N 1.37 0.06 0.36 4.32 2.15 0.12 -4.94 116.67 120.10 1twh s ASP 1155Ca 0.17 -2.28 0.25 0.00 0.43 0.00 0.00 52.55 51.13 1twh s ASP 1155Cb -0.15 0.75 0.65 0.00 -0.30 0.00 0.00 42.92 43.86 1twh s ASP 1155CO 0.09 -0.13 1.71 1.55 -0.17 0.00 0.00 175.17 178.22 1twh h PRO 1156N 5.54 0.00 -4.37 4.34 0.13 -1.90 -3.42 132.00 132.31 1twh h PRO 1156Ca 0.15 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.58 1twh h PRO 1156Cb 1.02 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.81 1twh h PRO 1156CO 0.19 0.00 -0.50 0.34 -0.23 0.00 0.00 178.00 177.79 1twh s ASP 1157N -5.44 5.33 0.00 1.44 2.15 -1.26 -4.67 116.67 114.22 1twh s ASP 1157Ca 0.08 -2.09 0.06 0.00 0.43 0.00 0.00 52.55 51.03 1twh s ASP 1157Cb 0.08 -1.86 0.37 0.00 -0.30 0.00 0.00 42.92 41.21 1twh s ASP 1157CO 0.61 -0.55 0.78 -0.81 -0.17 0.00 0.00 175.17 175.03 1twh n PRO 1158N 4.55 0.25 -0.18 4.34 -0.04 -1.26 -1.72 135.00 140.94 1twh n PRO 1158Ca -0.02 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.51 1twh n PRO 1158Cb 0.41 -1.39 0.17 0.00 -0.04 0.00 0.00 33.50 32.65 1twh n PRO 1158CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1twh n ARG 1159N -0.89 2.38 -3.89 0.54 1.74 -1.26 -5.03 116.66 110.25 1twh n ARG 1159Ca 0.05 -2.03 -0.11 0.00 -0.77 0.00 0.00 57.85 54.99 1twh n ARG 1159Cb 0.02 -1.34 0.01 0.00 -1.02 0.00 0.00 32.46 30.12 1twh n ARG 1159CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1twh s SER 1160N -1.07 0.30 -0.11 0.55 1.04 -0.70 -5.00 113.70 108.71 1twh s SER 1160Ca 0.28 -1.26 -0.29 0.00 0.48 0.00 0.00 55.95 55.15 1twh s SER 1160Cb 0.15 0.80 0.08 0.00 0.10 0.00 0.00 66.02 67.15 1twh s SER 1160CO 0.21 -1.58 0.72 -0.89 0.98 0.00 0.00 173.24 172.67 1twh s THR 1161N -2.49 0.00 -2.09 2.02 2.01 -1.26 -4.55 115.64 109.27 1twh s THR 1161Ca 0.20 0.00 0.14 0.00 0.31 0.00 0.00 61.69 62.34 1twh s THR 1161Cb -0.04 -1.00 0.35 0.00 0.01 0.00 0.00 72.50 71.82 1twh s THR 1161CO 0.14 0.00 1.36 0.52 -0.69 0.00 0.00 174.62 175.95 1twh n VAL 1162N 1.33 0.33 -4.09 3.82 0.31 -1.26 -4.44 118.33 114.33 1twh n VAL 1162Ca -0.17 -0.38 -0.32 0.00 -0.01 0.00 0.00 64.34 63.46 1twh n VAL 1162Cb 0.57 0.24 -0.16 0.00 -0.91 0.00 0.00 33.84 33.58 1twh n VAL 1162CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1twh s ILE 1163N -1.67 1.95 0.07 2.52 1.01 -1.26 -4.98 121.20 118.84 1twh s ILE 1163Ca 0.25 -0.92 -0.25 0.00 0.00 0.00 0.00 60.65 59.73 1twh s ILE 1163Cb 0.13 -1.80 -0.11 0.00 0.01 0.00 0.00 42.46 40.70 1twh s ILE 1163CO 0.19 0.47 1.39 1.55 0.00 0.00 0.00 174.94 178.54 1twh h PRO 1164N 7.95 -0.53 0.00 2.79 0.13 -2.04 -0.20 132.00 140.11 1twh h PRO 1164Ca -0.42 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1twh h PRO 1164Cb 1.13 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1twh h PRO 1164CO 0.60 -0.35 0.48 0.93 -0.23 0.00 0.00 178.00 179.42 1twh h GLU 1165N -0.55 0.00 -0.60 0.86 5.08 -1.94 1.35 114.58 118.78 1twh h GLU 1165Ca -0.01 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 1twh h GLU 1165Cb 0.55 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.69 1twh h GLU 1165CO -0.20 0.00 0.17 -0.25 -1.00 0.00 0.00 179.01 177.74 1twh n ASP 1166N -2.06 4.37 0.28 1.42 9.92 -0.09 -4.27 116.55 126.12 1twh n ASP 1166Ca -0.01 -3.26 -0.15 0.00 -0.53 0.00 0.00 54.79 50.85 1twh n ASP 1166Cb 0.49 -0.69 -0.08 0.00 -0.64 0.00 0.00 41.12 40.20 1twh n ASP 1166CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1twh h GLU 1167N 2.30 -0.69 -0.98 -1.24 4.39 0.17 -2.19 114.58 116.33 1twh h GLU 1167Ca 0.21 0.05 0.34 0.00 0.34 0.00 0.00 59.36 60.30 1twh h GLU 1167Cb 2.08 0.16 -0.17 0.00 -0.10 0.00 0.00 28.75 30.72 1twh h GLU 1167CO 0.60 -0.39 0.34 1.49 -1.16 0.00 0.00 179.01 179.89 1twh h GLU 1168N -0.96 0.06 -0.11 2.33 4.81 -1.79 -0.39 114.58 118.52 1twh h GLU 1168Ca -0.07 -0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.93 1twh h GLU 1168Cb 0.63 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.00 1twh h GLU 1168CO 0.12 0.04 -0.81 0.82 -0.73 0.00 0.00 179.01 178.45 1twh h ILE 1169N 0.06 1.31 -0.01 2.32 1.08 -1.73 -2.24 117.51 118.29 1twh h ILE 1169Ca 0.72 -2.07 -0.16 0.00 -0.39 0.00 0.00 64.86 62.96 1twh h ILE 1169Cb 1.73 2.08 -0.02 0.00 -3.07 0.00 0.00 36.82 37.54 1twh h ILE 1169CO -0.79 0.64 -0.73 0.40 -0.69 0.00 0.00 178.15 176.98 1twh h ILE 1170N 0.45 1.48 -0.16 -0.67 5.03 -0.63 -3.18 117.51 119.84 1twh h ILE 1170Ca -0.06 -2.40 -0.09 0.00 -0.12 0.00 0.00 64.86 62.19 1twh h ILE 1170Cb 1.43 2.29 -0.01 0.00 -3.03 0.00 0.00 36.82 37.50 1twh h ILE 1170CO 0.16 0.69 -0.30 1.56 -0.68 0.00 0.00 178.15 179.58 1twh h GLN 1171N 0.06 0.31 -2.23 2.37 4.20 -0.52 -2.32 115.11 116.98 1twh h GLN 1171Ca -0.02 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.49 1twh h GLN 1171Cb 1.29 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 29.02 1twh h GLN 1171CO 0.10 0.59 -0.06 1.28 -0.67 0.00 0.00 178.83 180.07 1twh n LEU 1172N -4.11 3.47 -3.19 1.46 4.77 -1.05 -5.10 117.00 113.27 1twh n LEU 1172Ca -0.01 -2.05 -0.09 0.00 -0.03 0.00 0.00 56.01 53.83 1twh n LEU 1172Cb 0.41 -0.88 -0.04 0.00 -2.33 0.00 0.00 43.42 40.59 1twh n LEU 1172CO 0.41 0.86 -0.03 -1.00 -1.33 0.00 0.00 177.39 176.30 1twh s HIS 1173N 1.37 -0.93 -0.15 -1.77 3.76 -0.88 -5.08 115.29 111.62 1twh s HIS 1173Ca 0.30 -0.56 -0.23 0.00 -0.15 0.00 0.00 55.06 54.42 1twh s HIS 1173Cb 0.14 -0.06 -0.10 0.00 1.11 0.00 0.00 32.58 33.67 1twh s HIS 1173CO 0.00 -1.09 0.72 1.28 -0.85 0.00 0.00 174.74 174.79 1twh n LEU 1176N 3.88 0.36 0.00 0.89 4.32 -1.26 -5.23 117.00 119.96 1twh n LEU 1176Ca 0.14 0.61 0.00 0.00 -0.02 0.00 0.00 56.01 56.75 1twh n LEU 1176Cb 0.52 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 1twh n LEU 1176CO 0.04 -0.67 0.00 0.00 -1.22 0.00 0.00 177.39 175.54 1twh n GLN 1187N 1.54 0.00 -3.52 3.23 10.64 -1.26 -5.39 117.38 122.62 1twh n GLN 1187Ca 0.14 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.92 1twh n GLN 1187Cb -0.00 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.28 1twh n GLN 1187CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1twh s GLN 1188N 0.00 3.84 0.08 2.61 -0.21 -1.26 -4.36 119.66 120.36 1twh s GLN 1188Ca 0.00 -0.31 -0.09 0.00 0.02 0.00 0.00 55.36 54.98 1twh s GLN 1188Cb 0.00 -3.70 -0.06 0.00 1.00 0.00 0.00 33.01 30.25 1twh s GLN 1188CO 0.00 -0.28 0.14 0.45 -2.12 0.00 0.00 175.29 173.48 1twh n SER 1189N 5.16 -0.52 0.00 5.90 2.88 -0.81 -4.88 113.62 121.35 1twh n SER 1189Ca -0.12 0.35 0.13 0.00 -1.33 0.00 0.00 58.87 57.90 1twh n SER 1189Cb 0.51 -0.31 0.42 0.00 -0.75 0.00 0.00 64.21 64.08 1twh n SER 1189CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1twh n PRO 1190N 0.35 0.00 -3.03 -1.46 -0.04 -1.26 -4.79 135.00 124.78 1twh n PRO 1190Ca 0.06 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.11 1twh n PRO 1190Cb 0.09 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.00 1twh n PRO 1190CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1twh s TRP 1191N -3.00 3.46 -0.15 0.54 0.52 -1.26 0.11 118.94 119.16 1twh s TRP 1191Ca 0.12 1.14 -0.03 0.00 0.02 0.00 0.00 56.10 57.35 1twh s TRP 1191Cb 0.18 -2.86 -0.02 0.00 -1.15 0.00 0.00 33.47 29.62 1twh s TRP 1191CO 0.62 -0.10 -0.06 -1.17 0.02 0.00 0.00 176.95 176.26 1twh s LEU 1192N 1.59 3.10 -0.15 2.99 2.96 0.23 -4.44 118.68 124.96 1twh s LEU 1192Ca 0.35 -0.19 -0.08 0.00 -0.22 0.00 0.00 54.13 53.99 1twh s LEU 1192Cb -0.17 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1twh s LEU 1192CO 0.14 0.16 0.12 -0.22 -1.32 0.00 0.00 176.35 175.23 1twh s LEU 1193N 0.39 4.22 -0.11 -0.68 2.96 -0.49 -1.11 118.68 123.85 1twh s LEU 1193Ca -0.06 0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 54.14 1twh s LEU 1193Cb -0.15 -2.05 0.06 0.00 0.50 0.00 0.00 46.19 44.55 1twh s LEU 1193CO 0.04 0.31 0.23 -0.60 -1.32 0.00 0.00 176.35 175.00 1twh s ARG 1194N -0.42 0.11 0.06 1.98 3.52 0.63 0.57 118.95 125.40 1twh s ARG 1194Ca 0.11 0.67 0.06 0.00 -0.13 0.00 0.00 55.73 56.44 1twh s ARG 1194Cb -0.12 -0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.12 1twh s ARG 1194CO 0.01 -0.29 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.61 1twh s LEU 1195N 2.33 3.02 -0.17 -0.88 1.43 -0.91 -0.36 118.68 123.14 1twh s LEU 1195Ca 0.01 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1twh s LEU 1195Cb -0.12 -1.78 0.03 0.00 0.03 0.00 0.00 46.19 44.34 1twh s LEU 1195CO -0.08 0.23 -0.15 -0.70 0.23 0.00 0.00 176.35 175.88 1twh s GLU 1196N -1.79 2.47 0.27 1.70 2.12 -0.64 -1.11 118.70 121.71 1twh s GLU 1196Ca 0.19 -0.69 0.06 0.00 0.36 0.00 0.00 54.97 54.88 1twh s GLU 1196Cb -0.11 -2.30 -0.02 0.00 0.26 0.00 0.00 34.13 31.96 1twh s GLU 1196CO 0.10 -0.26 0.38 -0.51 -0.54 0.00 0.00 175.26 174.43 1twh s LEU 1197N 1.41 4.16 -0.19 2.70 1.43 -0.96 0.93 118.68 128.16 1twh s LEU 1197Ca 0.04 -0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 53.02 1twh s LEU 1197Cb -0.13 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 1twh s LEU 1197CO -0.11 -0.18 0.08 -0.62 0.23 0.00 0.00 176.35 175.75 1twh s ASP 1198N -4.03 5.74 -0.00 2.29 -1.08 0.10 -4.50 116.67 115.19 1twh s ASP 1198Ca 0.37 0.11 -0.23 0.00 -0.52 0.00 0.00 52.55 52.28 1twh s ASP 1198Cb -0.09 -1.99 -0.13 0.00 -1.46 0.00 0.00 42.92 39.25 1twh s ASP 1198CO 0.29 0.17 0.97 -0.09 0.52 0.00 0.00 175.17 177.04 1twh h ARG 1199N 6.72 -0.74 0.00 4.34 2.43 -1.99 0.92 114.38 126.06 1twh h ARG 1199Ca -0.38 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1twh h ARG 1199Cb 1.16 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 1twh h ARG 1199CO 0.71 -0.47 0.00 0.00 -1.51 0.00 0.00 179.97 178.70 1twh n ALA 1200N -2.69 0.00 -0.11 2.80 0.00 -1.26 0.90 120.51 120.15 1twh n ALA 1200Ca -0.10 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.54 1twh n ALA 1200Cb 0.32 0.32 0.62 0.00 0.00 0.00 0.00 19.45 20.71 1twh n ALA 1200CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1twh h ALA 1201N -0.86 2.41 -0.08 0.00 0.00 -1.94 0.47 119.26 119.26 1twh h ALA 1201Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1twh h ALA 1201Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1twh h ALA 1201CO 0.00 -0.61 -0.51 0.52 0.00 0.00 0.00 179.25 178.65 1twh h MET 1202N 0.17 0.21 0.07 0.00 2.07 0.31 -2.98 114.93 114.79 1twh h MET 1202Ca 0.34 -0.12 -0.32 0.00 -2.07 0.00 0.00 59.70 57.53 1twh h MET 1202Cb 1.10 0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 30.81 1twh h MET 1202CO -0.06 0.68 -1.74 -2.95 1.07 0.00 0.00 176.91 173.91 1twh h ASN 1203N 0.17 0.22 0.00 1.22 7.08 0.12 0.32 115.58 124.71 1twh h ASN 1203Ca 0.00 -0.43 0.00 0.00 -3.08 0.00 0.00 56.30 52.79 1twh h ASN 1203Cb 0.96 -0.07 0.00 0.00 -2.08 0.00 0.00 38.32 37.13 1twh h ASN 1203CO 0.08 1.38 0.07 -0.67 -2.08 0.00 0.00 177.43 176.21 1twh n ASP 1204N -3.29 0.00 -0.48 6.14 -0.08 0.15 0.23 116.55 119.22 1twh n ASP 1204Ca -0.21 0.09 0.04 0.00 -1.51 0.00 0.00 54.79 53.20 1twh n ASP 1204Cb 1.05 -0.09 0.06 0.00 2.34 0.00 0.00 41.12 44.48 1twh n ASP 1204CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1twh n LYS 1205N -0.94 0.54 -3.91 -0.67 5.02 -1.13 -5.00 118.16 112.07 1twh n LYS 1205Ca 0.00 -1.80 -0.40 0.00 -2.02 0.00 0.00 58.31 54.08 1twh n LYS 1205Cb 0.07 -0.85 0.03 0.00 -0.02 0.00 0.00 35.03 34.25 1twh n LYS 1205CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1twh n ASP 1206N -0.50 -4.55 -4.28 4.39 8.00 0.64 -4.95 116.55 115.29 1twh n ASP 1206Ca 0.07 -1.18 -0.32 0.00 0.71 0.00 0.00 54.79 54.07 1twh n ASP 1206Cb 0.73 -2.41 -0.16 0.00 -0.02 0.00 0.00 41.12 39.26 1twh n ASP 1206CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1twh s LEU 1207N -7.04 2.32 -0.13 0.64 1.43 0.11 -5.05 118.68 110.97 1twh s LEU 1207Ca 0.48 -0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 53.03 1twh s LEU 1207Cb -0.22 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1twh s LEU 1207CO 0.93 0.17 0.16 -0.89 0.23 0.00 0.00 176.35 176.95 1twh s THR 1208N 0.29 5.46 0.18 5.49 2.01 -1.26 -4.55 115.64 123.26 1twh s THR 1208Ca -0.15 0.25 -0.17 0.00 0.31 0.00 0.00 61.69 61.94 1twh s THR 1208Cb -0.17 -3.43 0.13 0.00 0.01 0.00 0.00 72.50 69.04 1twh s THR 1208CO 0.07 0.59 1.64 0.24 -0.69 0.00 0.00 174.62 176.47 1twh h MET 1209N 5.25 -0.04 0.00 4.92 2.86 -1.95 0.52 114.93 126.48 1twh h MET 1209Ca -0.52 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 1twh h MET 1209Cb 1.22 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1twh h MET 1209CO 0.61 -0.03 0.00 0.78 1.06 0.00 0.00 176.91 179.33 1twh h GLY 1210N -0.05 0.00 0.10 8.32 0.00 -1.94 -0.37 103.07 109.15 1twh h GLY 1210Ca 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 1twh h GLY 1210CO -0.50 0.00 -0.02 1.46 0.00 0.00 0.00 176.54 177.49 1twh h GLN 1211N 0.00 -0.04 -0.59 4.80 4.20 -0.57 -2.82 115.11 120.08 1twh h GLN 1211Ca 0.00 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.81 1twh h GLN 1211Cb 0.05 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 27.73 1twh h GLN 1211CO 0.00 0.59 -0.41 0.28 -0.67 0.00 0.00 178.83 178.62 1twh h VAL 1212N -0.94 0.10 -0.76 -0.54 2.07 0.03 -1.21 116.25 114.99 1twh h VAL 1212Ca -0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.62 1twh h VAL 1212Cb 0.65 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1twh h VAL 1212CO 0.01 0.00 0.50 1.23 0.02 0.00 0.00 177.57 179.33 1twh h GLY 1213N -0.21 0.93 1.83 2.17 0.00 -1.15 -0.13 103.07 106.51 1twh h GLY 1213Ca 0.19 -0.26 -0.19 0.00 0.00 0.00 0.00 47.33 47.07 1twh h GLY 1213CO -0.69 0.14 -0.86 0.83 0.00 0.00 0.00 176.54 175.96 1twh h GLU 1214N 0.63 0.16 -0.08 4.80 4.39 -0.98 0.50 114.58 123.99 1twh h GLU 1214Ca 0.36 -0.17 -0.07 0.00 0.34 0.00 0.00 59.36 59.82 1twh h GLU 1214Cb 0.53 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1twh h GLU 1214CO -0.13 0.92 -0.22 0.00 -1.16 0.00 0.00 179.01 178.42 1twh h ARG 1215N 0.09 0.29 0.00 2.33 2.47 -0.50 -1.40 114.38 117.66 1twh h ARG 1215Ca -0.04 -0.21 -0.00 0.00 -1.26 0.00 0.00 59.98 58.48 1twh h ARG 1215Cb 1.49 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.84 1twh h ARG 1215CO 0.13 0.82 -0.00 0.82 0.56 0.00 0.00 179.97 182.30 1twh h ILE 1216N -0.19 1.35 -0.63 2.04 2.04 0.04 -2.41 117.51 119.75 1twh h ILE 1216Ca -0.01 -1.04 0.18 0.00 1.00 0.00 0.00 64.86 64.99 1twh h ILE 1216Cb 0.84 2.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.95 1twh h ILE 1216CO 0.05 0.27 0.45 0.50 0.00 0.00 0.00 178.15 179.41 1twh h LYS 1217N -0.44 0.03 -0.02 2.37 3.64 0.08 0.49 116.57 122.71 1twh h LYS 1217Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1twh h LYS 1217Cb 0.44 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1twh h LYS 1217CO 0.00 0.02 -0.03 0.00 -2.27 0.00 0.00 179.45 177.17 1twh n GLN 1218N -4.36 1.73 0.14 1.90 10.64 -0.54 0.22 117.38 127.11 1twh n GLN 1218Ca 0.12 -1.63 0.01 0.00 -1.83 0.00 0.00 57.00 53.67 1twh n GLN 1218Cb 0.68 -1.38 0.16 0.00 -0.86 0.00 0.00 30.24 28.84 1twh n GLN 1218CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 1twh h THR 1219N 3.76 1.23 0.00 -0.39 2.02 0.42 -3.42 112.91 116.54 1twh h THR 1219Ca 0.00 -2.15 0.00 0.00 0.77 0.00 0.00 66.41 65.03 1twh h THR 1219Cb 0.81 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 1twh h THR 1219CO 0.00 0.57 -0.94 0.49 0.37 0.00 0.00 175.52 176.02 1twh n PHE 1220N -3.57 0.00 -0.35 3.16 3.01 -0.37 -5.08 117.46 114.26 1twh n PHE 1220Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1twh n PHE 1220Cb 0.65 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.12 1twh n PHE 1220CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1twh n LYS 1221N -2.40 0.00 -0.26 -1.08 5.02 0.59 -2.24 118.16 117.79 1twh n LYS 1221Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 1twh n LYS 1221Cb 0.47 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.61 1twh n LYS 1221CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1twh h ASN 1222N 0.80 0.61 0.00 4.39 -1.07 -1.98 -3.34 115.58 114.98 1twh h ASN 1222Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 56.30 56.41 1twh h ASN 1222Cb 0.00 -0.08 0.00 0.00 -2.07 0.00 0.00 38.32 36.17 1twh h ASN 1222CO 0.00 0.37 0.00 0.47 0.07 0.00 0.00 177.43 178.34 1twh n ASP 1223N -4.77 0.16 -3.65 6.14 8.00 -0.95 -4.69 116.55 116.79 1twh n ASP 1223Ca 0.11 -0.72 -0.02 0.00 0.71 0.00 0.00 54.79 54.88 1twh n ASP 1223Cb 0.23 -0.08 -0.07 0.00 -0.02 0.00 0.00 41.12 41.18 1twh n ASP 1223CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1twh s LEU 1224N -0.56 -0.05 -0.19 0.64 2.96 -1.25 -4.33 118.68 115.89 1twh s LEU 1224Ca 0.00 0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 53.95 1twh s LEU 1224Cb 0.00 1.09 -0.02 0.00 0.50 0.00 0.00 46.19 47.75 1twh s LEU 1224CO 0.00 -0.01 -0.02 0.12 -1.32 0.00 0.00 176.35 175.12 1twh s PHE 1225N 0.24 3.01 -0.15 5.38 5.36 -0.81 -4.49 117.98 126.52 1twh s PHE 1225Ca 0.04 -0.52 -0.08 0.00 -0.96 0.00 0.00 56.93 55.41 1twh s PHE 1225Cb -0.04 -2.05 0.06 0.00 -0.34 0.00 0.00 43.02 40.64 1twh s PHE 1225CO -0.15 -0.26 0.36 0.08 -1.46 0.00 0.00 175.22 173.80 1twh s VAL 1226N 0.94 -0.10 0.29 3.12 1.01 -1.26 -1.70 120.40 122.70 1twh s VAL 1226Ca 0.01 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.16 1twh s VAL 1226Cb -0.14 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1twh s VAL 1226CO 0.01 0.05 0.23 0.27 0.00 0.00 0.00 175.10 175.67 1twh s ILE 1227N 1.52 0.01 -0.14 2.22 -5.25 -1.10 -5.02 121.20 113.44 1twh s ILE 1227Ca -0.08 -2.00 -0.34 0.00 -0.99 0.00 0.00 60.65 57.24 1twh s ILE 1227Cb -0.09 -2.50 0.15 0.00 2.95 0.00 0.00 42.46 42.96 1twh s ILE 1227CO -0.12 0.00 1.41 -1.66 -1.79 0.00 0.00 174.94 172.78 1twh s TRP 1228N -3.66 -0.01 0.32 1.37 -2.14 -1.26 -2.12 118.94 111.43 1twh s TRP 1228Ca 0.40 -0.00 -0.17 0.00 2.66 0.00 0.00 56.10 58.98 1twh s TRP 1228Cb 0.04 0.51 -0.09 0.00 -3.10 0.00 0.00 33.47 30.82 1twh s TRP 1228CO 0.23 -0.05 0.78 -1.54 -2.66 0.00 0.00 176.95 173.71 1twh s SER 1229N -2.73 6.87 0.86 -2.66 1.04 0.75 -4.99 113.70 112.85 1twh s SER 1229Ca 0.14 1.39 -0.13 0.00 0.48 0.00 0.00 55.95 57.83 1twh s SER 1229Cb 0.05 -2.42 0.12 0.00 0.10 0.00 0.00 66.02 63.88 1twh s SER 1229CO -0.05 -0.18 1.23 -1.61 0.98 0.00 0.00 173.24 173.60 1twh s GLU 1230N -2.79 1.50 0.10 4.02 2.02 -1.26 -4.69 118.70 117.59 1twh s GLU 1230Ca 0.53 -0.08 -0.09 0.00 0.02 0.00 0.00 54.97 55.35 1twh s GLU 1230Cb -0.12 -1.92 -0.18 0.00 0.10 0.00 0.00 34.13 32.02 1twh s GLU 1230CO 0.18 -1.88 1.23 -0.44 0.02 0.00 0.00 175.26 174.36 1twh h ASP 1231N -1.26 0.72 -0.30 -0.19 3.32 -1.96 -3.02 116.42 113.73 1twh h ASP 1231Ca -0.45 -0.60 0.09 0.00 0.02 0.00 0.00 57.03 56.08 1twh h ASP 1231Cb 1.30 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1twh h ASP 1231CO 0.56 1.40 0.91 0.78 -1.72 0.00 0.00 179.24 181.18 1twh h ASN 1232N 0.29 0.00 0.37 6.45 2.35 -1.98 -3.38 115.58 119.69 1twh h ASN 1232Ca -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1twh h ASN 1232Cb 1.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.06 1twh h ASN 1232CO 0.19 0.00 -0.07 0.47 -1.65 0.00 0.00 177.43 176.37 1twh n ASP 1233N -2.84 0.33 0.00 5.81 8.00 -1.14 -4.87 116.55 121.84 1twh n ASP 1233Ca 0.06 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 55.04 1twh n ASP 1233Cb 1.01 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.99 1twh n ASP 1233CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1twh n GLU 1234N -1.02 0.00 -4.74 -1.24 2.13 -1.26 -4.91 120.64 109.60 1twh n GLU 1234Ca 0.15 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.73 1twh n GLU 1234Cb 0.25 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.81 1twh n GLU 1234CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1twh s LYS 1235N 0.00 1.31 -0.27 5.31 -0.14 -1.26 -5.12 119.74 119.57 1twh s LYS 1235Ca 0.00 -0.64 -0.09 0.00 -1.36 0.00 0.00 55.97 53.88 1twh s LYS 1235Cb 0.00 -1.29 -0.03 0.00 -1.68 0.00 0.00 37.83 34.83 1twh s LYS 1235CO 0.00 0.35 0.12 -0.51 -0.76 0.00 0.00 175.35 174.55 1twh s LEU 1236N -0.52 3.71 -0.01 3.17 1.43 -1.26 -4.78 118.68 120.41 1twh s LEU 1236Ca 0.06 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1twh s LEU 1236Cb -0.07 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.16 1twh s LEU 1236CO -0.00 -0.06 -0.04 -0.63 0.23 0.00 0.00 176.35 175.85 1twh s ILE 1237N 1.66 0.30 -0.08 -0.59 1.09 -1.26 -2.27 121.20 120.05 1twh s ILE 1237Ca 0.06 -0.14 0.03 0.00 -1.10 0.00 0.00 60.65 59.50 1twh s ILE 1237Cb -0.16 -0.27 -0.02 0.00 -1.06 0.00 0.00 42.46 40.95 1twh s ILE 1237CO 0.06 0.10 -0.16 -0.63 -0.10 0.00 0.00 174.94 174.21 1twh s ILE 1238N 0.04 2.85 -0.09 2.92 -1.09 -0.27 -0.18 121.20 125.39 1twh s ILE 1238Ca -0.00 -0.77 0.02 0.00 -2.23 0.00 0.00 60.65 57.68 1twh s ILE 1238Cb -0.03 -2.14 0.01 0.00 -1.58 0.00 0.00 42.46 38.72 1twh s ILE 1238CO -0.00 0.56 -0.16 0.00 -1.23 0.00 0.00 174.94 174.10 1twh s ARG 1239N -0.17 2.23 0.14 2.79 1.70 -0.90 -2.13 118.95 122.61 1twh s ARG 1239Ca -0.01 -0.58 0.09 0.00 -0.47 0.00 0.00 55.73 54.75 1twh s ARG 1239Cb -0.13 -1.81 -0.04 0.00 -0.57 0.00 0.00 34.95 32.39 1twh s ARG 1239CO 0.03 0.03 -0.14 0.00 -1.08 0.00 0.00 175.30 174.14 1twh s ARG 1241N -2.44 0.91 0.68 0.00 0.52 -0.69 -1.39 118.95 116.54 1twh s ARG 1241Ca 0.21 -0.43 -0.02 0.00 -0.52 0.00 0.00 55.73 54.97 1twh s ARG 1241Cb -0.10 0.40 0.09 0.00 0.52 0.00 0.00 34.95 35.87 1twh s ARG 1241CO 0.13 -0.31 0.95 0.08 0.02 0.00 0.00 175.30 176.16 1twh s VAL 1242N -2.64 2.31 -0.34 3.52 1.01 -1.26 -1.92 120.40 121.08 1twh s VAL 1242Ca -0.04 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 1twh s VAL 1242Cb -0.00 -2.76 0.23 0.00 0.00 0.00 0.00 36.38 33.84 1twh s VAL 1242CO -0.04 0.00 1.14 0.55 0.00 0.00 0.00 175.10 176.76 1twh n VAL 1243N -2.74 0.00 0.00 2.92 3.14 -1.26 -1.92 118.33 118.47 1twh n VAL 1243Ca 0.12 -0.31 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 1twh n VAL 1243Cb 0.60 0.73 0.00 0.00 -1.06 0.00 0.00 33.84 34.11 1twh n VAL 1243CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1twh n ALA 1254N 2.29 0.00 -1.40 1.55 0.00 -1.26 -4.88 120.51 116.81 1twh n ALA 1254Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1twh n ALA 1254Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1twh n ALA 1254CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1twh n GLU 1255N 0.00 0.00 -1.09 0.00 2.13 -1.26 -5.11 120.64 115.31 1twh n GLU 1255Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 1twh n GLU 1255Cb 0.00 -2.16 -0.08 0.00 0.27 0.00 0.00 31.44 29.46 1twh n GLU 1255CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1twh n GLU 1256N -0.84 1.99 0.00 5.31 1.02 -1.26 -3.78 120.64 123.08 1twh n GLU 1256Ca 0.00 -1.40 0.00 0.00 -0.02 0.00 0.00 57.16 55.74 1twh n GLU 1256Cb 0.33 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 1twh n GLU 1256CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1twh n ASP 1257N 1.55 0.16 0.07 1.62 10.43 -1.26 -4.51 116.55 124.61 1twh n ASP 1257Ca 0.38 -1.02 -0.13 0.00 2.57 0.00 0.00 54.79 56.59 1twh n ASP 1257Cb 0.70 0.00 -0.09 0.00 1.84 0.00 0.00 41.12 43.57 1twh n ASP 1257CO 0.00 0.00 0.00 0.45 -1.07 0.00 0.00 177.20 176.58 1twh h HIS 1258N 0.00 -0.17 -0.95 1.24 3.86 -2.01 -3.01 115.15 114.11 1twh h HIS 1258Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1twh h HIS 1258Cb 0.49 0.05 -0.05 0.00 1.06 0.00 0.00 27.41 28.97 1twh h HIS 1258CO 0.00 0.19 0.60 0.52 0.86 0.00 0.00 177.93 180.10 1twh h MET 1259N -0.54 1.27 0.24 2.45 2.86 -1.86 0.16 114.93 119.50 1twh h MET 1259Ca -0.02 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1twh h MET 1259Cb 0.43 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1twh h MET 1259CO 0.03 0.86 -0.18 1.25 1.06 0.00 0.00 176.91 179.93 1twh h LEU 1260N 1.29 -0.47 -0.08 1.22 5.85 -1.79 0.34 115.31 121.68 1twh h LEU 1260Ca 0.34 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1twh h LEU 1260Cb -0.10 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1twh h LEU 1260CO -0.07 -0.28 0.00 0.29 -0.34 0.00 0.00 178.44 178.04 1twh n LYS 1261N -5.31 0.20 0.12 1.25 5.02 0.50 -2.39 118.16 117.55 1twh n LYS 1261Ca -0.09 0.20 -0.05 0.00 -2.02 0.00 0.00 58.31 56.35 1twh n LYS 1261Cb 0.22 -1.75 -0.02 0.00 -0.02 0.00 0.00 35.03 33.46 1twh n LYS 1261CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1twh h LYS 1262N 0.00 -0.33 -0.28 1.97 1.57 -0.64 -2.62 116.57 116.24 1twh h LYS 1262Ca 0.00 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.90 1twh h LYS 1262Cb 0.64 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 1twh h LYS 1262CO 0.00 -0.22 0.17 -0.89 -0.57 0.00 0.00 179.45 177.94 1twh n ILE 1263N -3.96 -0.07 0.00 1.86 2.08 0.11 0.22 119.36 119.61 1twh n ILE 1263Ca -0.04 0.41 -0.12 0.00 0.56 0.00 0.00 62.75 63.56 1twh n ILE 1263Cb 0.13 -0.67 -0.09 0.00 -0.75 0.00 0.00 39.64 38.26 1twh n ILE 1263CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1twh h GLU 1264N 0.00 -0.09 0.23 0.38 4.81 -1.48 -1.29 114.58 117.14 1twh h GLU 1264Ca 0.19 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1twh h GLU 1264Cb 0.59 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 1twh h GLU 1264CO -0.12 0.47 -0.40 -0.97 -0.73 0.00 0.00 179.01 177.26 1twh h ASN 1265N -0.81 -1.16 -0.63 1.04 -0.73 0.30 0.19 115.58 113.78 1twh h ASN 1265Ca -0.01 0.11 0.14 0.00 1.87 0.00 0.00 56.30 58.40 1twh h ASN 1265Cb 0.61 0.41 -0.12 0.00 0.27 0.00 0.00 38.32 39.49 1twh h ASN 1265CO 0.02 -0.47 -0.13 0.41 -0.37 0.00 0.00 177.43 176.89 1twh n THR 1266N -4.79 -0.27 -0.07 -3.57 -1.04 -0.05 -0.95 114.28 103.54 1twh n THR 1266Ca -0.08 1.44 -0.12 0.00 -2.04 0.00 0.00 64.05 63.25 1twh n THR 1266Cb 0.34 -2.01 -0.07 0.00 -1.82 0.00 0.00 70.33 66.78 1twh n THR 1266CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 1twh h MET 1267N 0.00 -0.41 0.12 -2.82 2.86 0.54 -1.03 114.93 114.19 1twh h MET 1267Ca 0.32 0.03 -0.28 0.00 -2.06 0.00 0.00 59.70 57.71 1twh h MET 1267Cb 0.52 0.09 0.03 0.00 0.06 0.00 0.00 31.60 32.31 1twh h MET 1267CO -0.64 -0.27 -1.17 -0.07 1.06 0.00 0.00 176.91 175.82 1twh h LEU 1268N -0.43 0.81 0.07 1.22 3.38 0.45 -3.36 115.31 117.45 1twh h LEU 1268Ca 0.09 -0.84 -0.35 0.00 0.09 0.00 0.00 57.88 56.88 1twh h LEU 1268Cb 0.62 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1twh h LEU 1268CO -0.50 1.57 -1.95 -0.62 0.09 0.00 0.00 178.44 177.03 1twh n GLU 1269N -3.86 0.69 -1.27 1.13 1.02 -0.63 -1.54 120.64 116.18 1twh n GLU 1269Ca -0.14 0.32 -0.28 0.00 -0.02 0.00 0.00 57.16 57.04 1twh n GLU 1269Cb 0.95 -1.67 0.14 0.00 -0.02 0.00 0.00 31.44 30.84 1twh n GLU 1269CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1twh n ASN 1270N -3.72 5.26 -4.06 1.62 3.02 -0.46 -4.82 115.26 112.10 1twh n ASN 1270Ca -0.36 -3.68 -0.27 0.00 -0.03 0.00 0.00 54.58 50.24 1twh n ASN 1270Cb 0.95 -0.89 -0.17 0.00 -0.61 0.00 0.00 39.78 39.06 1twh n ASN 1270CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1twh s ILE 1271N -3.89 1.41 -0.13 2.41 1.09 -1.26 -4.99 121.20 115.84 1twh s ILE 1271Ca 0.60 -0.61 -0.13 0.00 -1.10 0.00 0.00 60.65 59.40 1twh s ILE 1271Cb 0.49 -1.28 -0.05 0.00 -1.06 0.00 0.00 42.46 40.57 1twh s ILE 1271CO 0.06 0.42 0.30 -0.89 -0.10 0.00 0.00 174.94 174.73 1twh s THR 1272N 0.78 5.28 -0.14 2.92 2.01 -1.26 -3.91 115.64 121.32 1twh s THR 1272Ca -0.11 0.57 -0.09 0.00 0.31 0.00 0.00 61.69 62.36 1twh s THR 1272Cb -0.16 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 1twh s THR 1272CO 0.02 0.44 -0.15 -0.07 -0.69 0.00 0.00 174.62 174.17 1twh h LEU 1273N 6.22 0.00 -8.45 4.42 3.38 0.25 -3.49 115.31 117.64 1twh h LEU 1273Ca -0.44 -0.02 -0.50 0.00 0.09 0.00 0.00 57.88 57.01 1twh h LEU 1273Cb 1.18 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.69 1twh h LEU 1273CO 0.72 0.77 -0.81 -0.13 0.09 0.00 0.00 178.44 179.07 1twh s ARG 1274N -2.20 1.09 0.00 1.13 0.52 -1.21 -4.96 118.95 113.32 1twh s ARG 1274Ca -0.14 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 1twh s ARG 1274Cb 0.02 -1.17 0.00 0.00 0.52 0.00 0.00 34.95 34.32 1twh s ARG 1274CO 0.22 0.29 0.00 0.41 0.02 0.00 0.00 175.30 176.24 1twh n GLY 1275N 1.73 0.02 3.21 -3.53 0.00 -1.23 -1.71 105.19 103.68 1twh n GLY 1275Ca -0.18 -2.29 -0.30 0.00 0.00 0.00 0.00 46.02 43.25 1twh n GLY 1275CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1twh s VAL 1276N -0.66 1.89 0.66 1.61 1.01 -0.13 -4.94 120.40 119.84 1twh s VAL 1276Ca 0.00 -0.96 -0.17 0.00 0.00 0.00 0.00 61.98 60.85 1twh s VAL 1276Cb 0.00 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 1twh s VAL 1276CO 0.00 0.53 1.10 -0.62 0.00 0.00 0.00 175.10 176.11 1twh n GLU 1277N 3.22 0.85 -0.07 2.72 4.71 -1.26 -2.77 120.64 128.05 1twh n GLU 1277Ca -0.18 0.34 0.00 0.00 -0.01 0.00 0.00 57.16 57.31 1twh n GLU 1277Cb 0.52 -2.33 0.00 0.00 -1.01 0.00 0.00 31.44 28.62 1twh n GLU 1277CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1twh n ASN 1278N -1.54 0.00 -4.42 1.62 3.02 -1.26 -4.59 115.26 108.09 1twh n ASN 1278Ca 0.15 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.28 1twh n ASN 1278Cb 0.48 -0.52 -0.10 0.00 -0.61 0.00 0.00 39.78 39.03 1twh n ASN 1278CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1twh s ILE 1279N -2.40 4.92 0.00 2.41 1.09 -1.11 -3.90 121.20 122.21 1twh s ILE 1279Ca 0.00 -0.78 0.00 0.00 -1.10 0.00 0.00 60.65 58.77 1twh s ILE 1279Cb 0.00 -3.75 0.00 0.00 -1.06 0.00 0.00 42.46 37.65 1twh s ILE 1279CO 0.00 -0.29 0.00 -0.62 -0.10 0.00 0.00 174.94 173.93 1twh n GLU 1280N 5.08 0.00 -1.88 2.79 -0.58 0.77 -1.73 120.64 125.09 1twh n GLU 1280Ca -0.11 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.30 1twh n GLU 1280Cb 0.46 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 31.36 1twh n GLU 1280CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1twh s ARG 1281N 0.45 3.09 -0.02 3.49 0.52 -1.25 -4.22 118.95 121.00 1twh s ARG 1281Ca 0.00 1.23 0.02 0.00 -0.52 0.00 0.00 55.73 56.46 1twh s ARG 1281Cb 0.00 -2.00 0.01 0.00 0.52 0.00 0.00 34.95 33.48 1twh s ARG 1281CO 0.00 -1.00 -0.07 0.08 0.02 0.00 0.00 175.30 174.34 1twh s VAL 1282N -2.50 0.63 0.01 3.52 1.01 -1.26 -2.05 120.40 119.75 1twh s VAL 1282Ca 0.64 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.38 1twh s VAL 1282Cb -0.17 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 1twh s VAL 1282CO 0.41 0.21 -0.10 -0.69 0.00 0.00 0.00 175.10 174.93 1twh s VAL 1283N 0.30 0.74 0.14 2.92 1.01 -1.16 -4.80 120.40 119.56 1twh s VAL 1283Ca -0.04 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 1twh s VAL 1283Cb -0.09 -0.67 -0.06 0.00 0.00 0.00 0.00 36.38 35.57 1twh s VAL 1283CO 0.00 0.05 0.41 -0.04 0.00 0.00 0.00 175.10 175.52 1twh s MET 1284N -0.65 3.68 0.08 2.72 -1.94 -1.26 -1.34 119.30 120.59 1twh s MET 1284Ca 0.01 0.04 -0.03 0.00 -1.71 0.00 0.00 55.69 54.00 1twh s MET 1284Cb -0.05 -2.85 -0.03 0.00 2.01 0.00 0.00 34.83 33.90 1twh s MET 1284CO 0.00 0.46 0.04 -1.64 -0.01 0.00 0.00 175.02 173.88 1twh s MET 1285N -2.50 0.75 -0.26 2.03 -1.94 -0.72 -4.92 119.30 111.75 1twh s MET 1285Ca 0.40 -1.23 -0.00 0.00 -1.71 0.00 0.00 55.69 53.14 1twh s MET 1285Cb -0.12 0.25 0.04 0.00 2.01 0.00 0.00 34.83 37.00 1twh s MET 1285CO 0.22 -0.19 -0.07 0.21 -0.01 0.00 0.00 175.02 175.19 1twh s LYS 1286N -3.95 2.58 0.04 2.03 2.20 -1.26 -0.06 119.74 121.32 1twh s LYS 1286Ca 0.12 -1.15 0.04 0.00 -0.36 0.00 0.00 55.97 54.62 1twh s LYS 1286Cb 0.07 -2.99 -0.04 0.00 -1.51 0.00 0.00 37.83 33.37 1twh s LYS 1286CO -0.07 -0.49 -0.04 0.71 -0.36 0.00 0.00 175.35 175.10 1twh s TYR 1287N 1.24 2.92 0.27 4.03 4.12 -0.44 -4.94 117.35 124.55 1twh s TYR 1287Ca -0.03 -0.04 -0.29 0.00 0.02 0.00 0.00 57.07 56.72 1twh s TYR 1287Cb -0.18 -1.57 -0.09 0.00 -1.52 0.00 0.00 41.96 38.60 1twh s TYR 1287CO -0.04 0.42 1.10 -0.51 0.02 0.00 0.00 175.55 176.54 1twh s ASP 1288N -1.81 7.27 -0.10 2.29 1.01 -1.26 0.32 116.67 124.39 1twh s ASP 1288Ca 0.20 2.25 -0.02 0.00 0.71 0.00 0.00 52.55 55.69 1twh s ASP 1288Cb -0.11 -2.62 0.04 0.00 1.01 0.00 0.00 42.92 41.23 1twh s ASP 1288CO 0.12 -0.14 0.04 -0.60 0.21 0.00 0.00 175.17 174.80 1twh s ARG 1289N -1.35 0.30 -0.05 8.23 3.52 -1.23 -4.92 118.95 123.44 1twh s ARG 1289Ca 0.45 0.07 -0.30 0.00 -0.13 0.00 0.00 55.73 55.82 1twh s ARG 1289Cb -0.32 -1.17 -0.03 0.00 -1.56 0.00 0.00 34.95 31.87 1twh s ARG 1289CO 0.40 -0.43 1.15 0.15 -0.81 0.00 0.00 175.30 175.76 1twh s LYS 1290N 2.05 4.39 0.02 5.12 -0.14 -1.24 -2.13 119.74 127.80 1twh s LYS 1290Ca 0.04 1.61 0.00 0.00 -1.36 0.00 0.00 55.97 56.26 1twh s LYS 1290Cb -0.14 -3.53 -0.02 0.00 -1.68 0.00 0.00 37.83 32.47 1twh s LYS 1290CO -0.06 -0.38 -0.03 0.08 -0.76 0.00 0.00 175.35 174.21 1twh s VAL 1291N 1.99 0.13 0.45 3.17 1.01 0.24 -4.67 120.40 122.72 1twh s VAL 1291Ca 0.54 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 61.62 1twh s VAL 1291Cb -0.24 -0.23 -0.10 0.00 0.00 0.00 0.00 36.38 35.81 1twh s VAL 1291CO 0.22 -0.36 0.98 -2.16 0.00 0.00 0.00 175.10 173.78 1twh s PRO 1292N -1.10 4.09 0.49 2.72 0.04 -1.26 -1.39 135.00 138.59 1twh s PRO 1292Ca -0.11 1.19 0.05 0.00 0.04 0.00 0.00 61.00 62.16 1twh s PRO 1292Cb -0.08 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 32.34 1twh s PRO 1292CO -0.01 -0.16 0.68 -1.54 0.04 0.00 0.00 177.00 176.02 1twh s SER 1293N -2.13 5.44 0.34 6.66 1.04 0.86 -4.90 113.70 121.02 1twh s SER 1293Ca 0.64 -0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.89 1twh s SER 1293Cb -0.11 -0.75 0.62 0.00 0.10 0.00 0.00 66.02 65.88 1twh s SER 1293CO 0.15 -0.97 1.91 1.55 0.98 0.00 0.00 173.24 176.86 1twh h PRO 1294N 0.33 0.59 -0.37 4.02 0.13 -1.96 -2.49 132.00 132.25 1twh h PRO 1294Ca -0.41 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1twh h PRO 1294Cb 1.29 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1twh h PRO 1294CO 0.48 0.54 0.00 0.25 -0.23 0.00 0.00 178.00 179.05 1twh n THR 1295N -4.32 0.48 0.00 1.56 -2.24 -1.26 -4.94 114.28 103.56 1twh n THR 1295Ca 0.02 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1twh n THR 1295Cb 0.20 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 1twh n THR 1295CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1twh n GLY 1296N 1.36 1.14 3.79 3.38 0.00 -0.94 -0.71 105.19 113.21 1twh n GLY 1296Ca 0.18 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 1twh n GLY 1296CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1twh s GLU 1297N 0.00 2.89 0.15 1.61 1.03 -1.11 -4.48 118.70 118.79 1twh s GLU 1297Ca 0.00 1.20 -0.17 0.00 0.03 0.00 0.00 54.97 56.03 1twh s GLU 1297Cb 0.00 -1.97 -0.07 0.00 -0.80 0.00 0.00 34.13 31.28 1twh s GLU 1297CO 0.00 -1.15 0.60 0.71 -1.33 0.00 0.00 175.26 174.09 1twh s TYR 1298N -2.62 3.67 0.19 4.83 1.51 -1.26 -0.10 117.35 123.58 1twh s TYR 1298Ca 0.63 1.21 -0.00 0.00 -1.01 0.00 0.00 57.07 57.90 1twh s TYR 1298Cb -0.17 -2.47 -0.04 0.00 -0.11 0.00 0.00 41.96 39.16 1twh s TYR 1298CO 0.45 0.45 0.10 0.08 -1.11 0.00 0.00 175.55 175.52 1twh s VAL 1299N -1.38 0.15 0.15 0.71 1.01 -0.48 -4.89 120.40 115.66 1twh s VAL 1299Ca 0.37 -1.97 -0.15 0.00 0.00 0.00 0.00 61.98 60.22 1twh s VAL 1299Cb -0.17 -2.37 -0.07 0.00 0.00 0.00 0.00 36.38 33.77 1twh s VAL 1299CO 0.20 -0.16 0.57 -0.54 0.00 0.00 0.00 175.10 175.18 1twh s LYS 1300N -4.10 4.03 -0.25 2.72 1.02 -1.26 0.80 119.74 122.71 1twh s LYS 1300Ca 0.34 0.56 -0.02 0.00 0.02 0.00 0.00 55.97 56.87 1twh s LYS 1300Cb 0.07 -2.95 0.12 0.00 -0.52 0.00 0.00 37.83 34.56 1twh s LYS 1300CO 0.09 0.48 0.30 -1.21 -0.92 0.00 0.00 175.35 174.09 1twh s GLU 1301N -1.89 0.29 0.49 1.68 2.02 -0.90 -4.95 118.70 115.44 1twh s GLU 1301Ca 0.38 0.20 -0.22 0.00 0.02 0.00 0.00 54.97 55.34 1twh s GLU 1301Cb -0.16 -0.76 -0.06 0.00 0.10 0.00 0.00 34.13 33.25 1twh s GLU 1301CO 0.19 -0.79 1.24 -1.25 0.02 0.00 0.00 175.26 174.68 1twh s PRO 1302N 2.42 3.51 0.01 0.39 0.04 -1.26 -3.54 135.00 136.56 1twh s PRO 1302Ca 0.10 1.96 0.03 0.00 0.04 0.00 0.00 61.00 63.13 1twh s PRO 1302Cb -0.15 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 32.03 1twh s PRO 1302CO -0.21 -0.81 -0.11 -1.83 0.04 0.00 0.00 177.00 174.09 1twh s GLU 1303N -2.78 0.82 0.43 4.56 -1.05 0.96 -4.64 118.70 117.00 1twh s GLU 1303Ca 0.67 -0.47 -0.22 0.00 -0.15 0.00 0.00 54.97 54.80 1twh s GLU 1303Cb -0.33 -0.79 -0.10 0.00 -0.44 0.00 0.00 34.13 32.47 1twh s GLU 1303CO 0.40 0.21 0.99 -1.58 0.95 0.00 0.00 175.26 176.23 1twh s TRP 1304N -0.44 3.27 0.00 4.83 0.52 -1.09 -1.33 118.94 124.70 1twh s TRP 1304Ca 0.02 1.63 0.00 0.00 0.02 0.00 0.00 56.10 57.78 1twh s TRP 1304Cb -0.05 -2.96 -0.00 0.00 -1.15 0.00 0.00 33.47 29.31 1twh s TRP 1304CO 0.00 -0.33 -0.02 0.08 0.02 0.00 0.00 176.95 176.70 1twh s VAL 1305N -1.98 0.11 0.10 4.03 1.01 0.91 -4.26 120.40 120.31 1twh s VAL 1305Ca 0.61 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.36 1twh s VAL 1305Cb -0.14 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1twh s VAL 1305CO 0.18 -0.07 0.27 -0.76 0.00 0.00 0.00 175.10 174.72 1twh s LEU 1306N -0.31 4.32 -0.05 3.92 1.43 -0.62 -1.75 118.68 125.63 1twh s LEU 1306Ca -0.02 0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 1twh s LEU 1306Cb -0.02 -3.07 0.02 0.00 0.03 0.00 0.00 46.19 43.15 1twh s LEU 1306CO -0.00 0.12 -0.04 -1.61 0.23 0.00 0.00 176.35 175.05 1twh s GLU 1307N -2.63 0.82 0.36 1.70 2.02 -0.45 0.15 118.70 120.66 1twh s GLU 1307Ca 0.37 -0.08 0.08 0.00 0.02 0.00 0.00 54.97 55.36 1twh s GLU 1307Cb -0.13 -0.87 -0.04 0.00 0.10 0.00 0.00 34.13 33.20 1twh s GLU 1307CO 0.27 -0.11 0.20 0.95 0.02 0.00 0.00 175.26 176.59 1twh s THR 1308N 1.05 2.95 -0.32 3.63 -4.23 -0.41 -2.97 115.64 115.35 1twh s THR 1308Ca -0.09 -1.61 -0.11 0.00 -1.18 0.00 0.00 61.69 58.71 1twh s THR 1308Cb -0.14 -3.01 -0.01 0.00 1.34 0.00 0.00 72.50 70.68 1twh s THR 1308CO -0.01 -0.13 0.18 -1.81 -0.54 0.00 0.00 174.62 172.31 1twh s ASP 1309N -3.91 5.70 0.00 3.99 1.11 -0.87 -3.67 116.67 119.02 1twh s ASP 1309Ca 0.40 -0.50 0.00 0.00 0.18 0.00 0.00 52.55 52.62 1twh s ASP 1309Cb -0.02 -2.04 0.00 0.00 1.07 0.00 0.00 42.92 41.93 1twh s ASP 1309CO 0.24 -0.21 0.00 0.61 1.18 0.00 0.00 175.17 176.99 1twh n GLY 1310N 5.02 2.23 2.84 0.21 0.00 -0.65 -0.16 105.19 114.68 1twh n GLY 1310Ca -0.13 -1.92 -0.17 0.00 0.00 0.00 0.00 46.02 43.79 1twh n GLY 1310CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1twh s VAL 1311N -2.86 0.26 -0.36 1.61 1.01 -1.25 -4.16 120.40 114.65 1twh s VAL 1311Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1twh s VAL 1311Cb 0.00 -0.33 0.15 0.00 0.00 0.00 0.00 36.38 36.19 1twh s VAL 1311CO 0.00 0.16 0.25 0.21 0.00 0.00 0.00 175.10 175.71 1twh s ASN 1312N 0.93 2.55 0.03 3.32 3.84 -1.26 -4.83 114.94 119.52 1twh s ASN 1312Ca -0.10 -2.20 -0.16 0.00 0.21 0.00 0.00 52.86 50.60 1twh s ASN 1312Cb -0.13 -0.27 -0.34 0.00 -0.55 0.00 0.00 41.25 39.96 1twh s ASN 1312CO -0.01 -0.29 1.01 0.25 -2.79 0.00 0.00 177.10 175.27 1twh h LEU 1313N 6.86 0.83 -2.08 3.21 5.85 -1.96 -0.92 115.31 127.10 1twh h LEU 1313Ca 0.08 -0.90 0.09 0.00 0.84 0.00 0.00 57.88 57.99 1twh h LEU 1313Cb 0.97 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1twh h LEU 1313CO 0.26 1.67 0.26 0.77 -0.34 0.00 0.00 178.44 181.07 1twh h SER 1314N 0.13 0.00 0.00 1.25 4.64 -1.96 -2.04 113.55 115.56 1twh h SER 1314Ca -0.24 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.66 1twh h SER 1314Cb 2.08 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 64.10 1twh h SER 1314CO 0.26 0.00 -2.50 -0.62 -0.87 0.00 0.00 176.83 173.10 1twh n GLU 1315N -4.14 0.61 0.24 4.77 1.02 -1.13 -4.25 120.64 117.76 1twh n GLU 1315Ca 0.05 0.20 0.15 0.00 -0.02 0.00 0.00 57.16 57.54 1twh n GLU 1315Cb 0.43 -1.50 0.82 0.00 -0.02 0.00 0.00 31.44 31.17 1twh n GLU 1315CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1twh h VAL 1316N -0.46 0.59 0.00 2.62 2.07 -0.94 -2.87 116.25 117.26 1twh h VAL 1316Ca -0.63 0.00 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1twh h VAL 1316Cb 1.76 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1twh h VAL 1316CO -0.25 0.00 0.00 -0.03 0.02 0.00 0.00 177.57 177.31 1twh h MET 1317N 0.00 0.00 -0.03 1.57 -1.53 -1.55 -2.09 114.93 111.30 1twh h MET 1317Ca 0.05 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.31 1twh h MET 1317Cb 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.31 1twh h MET 1317CO -0.00 0.00 -0.07 -2.37 0.14 0.00 0.00 176.91 174.61 1twh n THR 1318N -2.96 0.00 -2.86 -0.77 5.66 -1.08 -4.68 114.28 107.59 1twh n THR 1318Ca -0.03 -0.46 -0.39 0.00 -3.05 0.00 0.00 64.05 60.12 1twh n THR 1318Cb 0.08 1.44 -0.06 0.00 -1.55 0.00 0.00 70.33 70.25 1twh n THR 1318CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1twh s VAL 1319N -2.07 4.22 0.29 1.08 1.01 -0.79 -4.93 120.40 119.21 1twh s VAL 1319Ca 0.27 1.89 -0.29 0.00 0.00 0.00 0.00 61.98 63.84 1twh s VAL 1319Cb 0.20 -4.21 -0.10 0.00 0.00 0.00 0.00 36.38 32.27 1twh s VAL 1319CO 0.34 0.47 1.15 -2.84 0.00 0.00 0.00 175.10 174.22 1twh s PRO 1320N -1.26 4.57 0.00 2.72 0.02 -1.26 -3.96 135.00 135.83 1twh s PRO 1320Ca 0.40 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.32 1twh s PRO 1320Cb -0.24 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.12 1twh s PRO 1320CO 0.29 0.11 0.00 0.41 -0.33 0.00 0.00 177.00 177.48 1twh n GLY 1321N 1.14 0.37 3.73 0.52 0.00 -1.26 -5.02 105.19 104.66 1twh n GLY 1321Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1twh n GLY 1321CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1twh s ILE 1322N -2.00 3.14 -0.71 -0.61 -5.25 -1.25 -2.52 121.20 111.99 1twh s ILE 1322Ca 0.00 -1.70 -0.21 0.00 -0.99 0.00 0.00 60.65 57.74 1twh s ILE 1322Cb 0.00 -2.98 0.09 0.00 2.95 0.00 0.00 42.46 42.51 1twh s ILE 1322CO 0.00 -0.21 0.97 -0.62 -1.79 0.00 0.00 174.94 173.29 1twh s ASP 1323N -3.83 6.27 0.01 4.36 -1.08 0.39 -4.42 116.67 118.37 1twh s ASP 1323Ca 0.37 -1.26 0.10 0.00 -0.52 0.00 0.00 52.55 51.24 1twh s ASP 1323Cb -0.03 -2.40 0.45 0.00 -1.46 0.00 0.00 42.92 39.47 1twh s ASP 1323CO 0.22 -1.33 1.33 -0.81 0.52 0.00 0.00 175.17 175.11 1twh n PRO 1324N 7.33 0.01 0.12 4.34 -0.04 -1.26 -2.07 135.00 143.42 1twh n PRO 1324Ca 0.01 0.33 0.04 0.00 -0.04 0.00 0.00 63.50 63.85 1twh n PRO 1324Cb 0.46 -1.51 0.01 0.00 -0.04 0.00 0.00 33.50 32.42 1twh n PRO 1324CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1twh h THR 1325N 0.00 0.57 -0.01 0.52 2.02 -1.95 -3.34 112.91 110.73 1twh h THR 1325Ca 0.00 -1.88 0.00 0.00 0.77 0.00 0.00 66.41 65.30 1twh h THR 1325Cb 0.17 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1twh h THR 1325CO 0.00 0.33 -0.28 0.54 0.37 0.00 0.00 175.52 176.47 1twh n ARG 1326N -3.07 1.82 -1.59 6.66 1.74 -0.88 -5.03 116.66 116.31 1twh n ARG 1326Ca -0.01 -0.74 -0.43 0.00 -0.77 0.00 0.00 57.85 55.91 1twh n ARG 1326Cb 0.72 -1.20 -0.00 0.00 -1.02 0.00 0.00 32.46 30.95 1twh n ARG 1326CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1twh n ILE 1327N -0.16 2.14 -4.11 0.55 3.06 -1.22 -4.83 119.36 114.79 1twh n ILE 1327Ca 0.06 -0.50 -0.13 0.00 -2.50 0.00 0.00 62.75 59.68 1twh n ILE 1327Cb 0.29 -1.06 -0.11 0.00 0.54 0.00 0.00 39.64 39.30 1twh n ILE 1327CO 0.00 0.00 0.00 -0.47 -2.50 0.00 0.00 176.55 173.58 1twh s TYR 1328N -1.18 0.79 -0.03 9.51 5.04 -0.94 -5.03 117.35 125.51 1twh s TYR 1328Ca 0.60 -0.63 -0.15 0.00 -2.44 0.00 0.00 57.07 54.46 1twh s TYR 1328Cb -0.63 -0.46 0.02 0.00 0.35 0.00 0.00 41.96 41.24 1twh s TYR 1328CO 0.59 -0.09 0.32 -0.08 -1.34 0.00 0.00 175.55 174.95 1twh s THR 1329N -2.08 0.05 -1.43 4.34 -1.32 -1.26 -1.16 115.64 112.78 1twh s THR 1329Ca -0.02 -0.41 0.29 0.00 -1.21 0.00 0.00 61.69 60.33 1twh s THR 1329Cb -0.05 -0.60 0.44 0.00 -1.51 0.00 0.00 72.50 70.78 1twh s THR 1329CO -0.01 -0.23 1.94 -0.46 -2.21 0.00 0.00 174.62 173.66 1twh n ASN 1330N 1.45 0.18 -4.53 8.08 6.94 -1.10 -4.34 115.26 121.94 1twh n ASN 1330Ca -0.21 -0.22 -0.43 0.00 -0.02 0.00 0.00 54.58 53.71 1twh n ASN 1330Cb 0.56 -0.21 -0.01 0.00 -2.36 0.00 0.00 39.78 37.76 1twh n ASN 1330CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1twh s SER 1331N -2.61 6.75 0.63 0.53 0.15 -1.26 -4.81 113.70 113.07 1twh s SER 1331Ca 0.26 -2.19 0.32 0.00 0.70 0.00 0.00 55.95 55.04 1twh s SER 1331Cb 0.20 -2.51 1.78 0.00 -1.71 0.00 0.00 66.02 63.78 1twh s SER 1331CO 0.49 -1.17 2.08 2.19 1.20 0.00 0.00 173.24 178.02 1twh h PHE 1332N 8.38 0.00 -0.72 3.44 -5.15 -1.93 0.63 116.94 121.58 1twh h PHE 1332Ca 0.30 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 58.03 1twh h PHE 1332Cb 0.94 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.08 1twh h PHE 1332CO 1.27 0.00 0.33 0.82 -2.00 0.00 0.00 178.31 178.73 1twh h ILE 1333N 0.00 1.24 0.00 0.88 2.04 -1.95 -2.16 117.51 117.56 1twh h ILE 1333Ca 0.06 -0.71 -0.10 0.00 1.00 0.00 0.00 64.86 65.11 1twh h ILE 1333Cb 0.52 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1twh h ILE 1333CO -0.00 0.29 -0.47 0.44 0.00 0.00 0.00 178.15 178.41 1twh h ASP 1334N 1.02 0.00 -0.22 1.72 3.32 -0.19 -1.48 116.42 120.60 1twh h ASP 1334Ca 0.25 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.32 1twh h ASP 1334Cb 0.15 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1twh h ASP 1334CO -0.03 0.47 0.07 0.40 -1.72 0.00 0.00 179.24 178.43 1twh h ILE 1335N 0.00 0.94 -0.03 0.35 1.08 -0.88 -1.68 117.51 117.27 1twh h ILE 1335Ca -0.00 -0.06 -0.06 0.00 -0.39 0.00 0.00 64.86 64.34 1twh h ILE 1335Cb 0.88 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 35.37 1twh h ILE 1335CO 0.06 0.03 -0.28 -0.03 -0.69 0.00 0.00 178.15 177.24 1twh h MET 1336N 0.17 0.06 0.00 2.37 4.05 -0.84 0.34 114.93 121.08 1twh h MET 1336Ca 0.09 -0.02 -0.18 0.00 -0.28 0.00 0.00 59.70 59.32 1twh h MET 1336Cb 0.07 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.84 1twh h MET 1336CO -0.10 0.34 -0.85 0.93 0.23 0.00 0.00 176.91 177.45 1twh h GLU 1337N 0.06 0.00 0.05 0.39 5.08 -0.78 -2.05 114.58 117.32 1twh h GLU 1337Ca 0.01 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.00 1twh h GLU 1337Cb 0.53 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 1twh h GLU 1337CO 0.04 0.85 -2.22 0.28 -1.00 0.00 0.00 179.01 176.96 1twh n VAL 1338N -3.33 1.60 0.04 3.13 0.31 -0.68 -4.72 118.33 114.68 1twh n VAL 1338Ca 0.00 -0.65 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 1twh n VAL 1338Cb 0.87 -1.40 -0.00 0.00 -0.91 0.00 0.00 33.84 32.40 1twh n VAL 1338CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1twh n LEU 1339N -3.27 0.10 0.00 7.52 4.77 0.11 -5.10 117.00 121.14 1twh n LEU 1339Ca -0.37 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 1twh n LEU 1339Cb 1.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 1twh n LEU 1339CO 0.36 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1twh n GLY 1340N 0.96 1.22 0.26 -0.72 0.00 -0.77 -4.46 105.19 101.68 1twh n GLY 1340Ca 0.00 -2.08 -0.08 0.00 0.00 0.00 0.00 46.02 43.86 1twh n GLY 1340CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1twh h ILE 1341N 0.00 1.27 0.54 -0.61 6.09 -1.87 -0.45 117.51 122.48 1twh h ILE 1341Ca 0.00 -1.37 -0.02 0.00 -1.37 0.00 0.00 64.86 62.10 1twh h ILE 1341Cb 0.00 1.27 -0.00 0.00 0.47 0.00 0.00 36.82 38.55 1twh h ILE 1341CO 0.00 0.45 -0.35 -0.33 -3.07 0.00 0.00 178.15 174.85 1twh h GLU 1342N 0.63 -0.81 -0.60 2.19 4.39 -1.95 0.18 114.58 118.61 1twh h GLU 1342Ca 0.08 0.06 0.16 0.00 0.34 0.00 0.00 59.36 59.99 1twh h GLU 1342Cb 0.76 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.56 1twh h GLU 1342CO 0.06 -0.54 0.42 0.00 -1.16 0.00 0.00 179.01 177.79 1twh h ALA 1343N -1.36 2.41 -0.03 3.43 0.00 -1.73 0.81 119.26 122.79 1twh h ALA 1343Ca -0.07 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 1twh h ALA 1343Cb 0.68 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1twh h ALA 1343CO 0.06 -0.58 -0.88 0.78 0.00 0.00 0.00 179.25 178.64 1twh h GLY 1344N 0.12 0.48 0.67 0.00 0.00 -0.25 -1.16 103.07 102.93 1twh h GLY 1344Ca 0.29 -0.78 0.13 0.00 0.00 0.00 0.00 47.33 46.97 1twh h GLY 1344CO -0.03 0.69 0.53 -0.09 0.00 0.00 0.00 176.54 177.64 1twh h ARG 1345N 0.26 0.57 0.08 4.80 2.43 0.16 -0.72 114.38 121.96 1twh h ARG 1345Ca -0.07 -0.03 -0.26 0.00 -0.81 0.00 0.00 59.98 58.81 1twh h ARG 1345Cb 1.50 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.93 1twh h ARG 1345CO 0.15 0.38 -1.13 0.00 -1.51 0.00 0.00 179.97 177.86 1twh h ALA 1346N 1.62 0.20 0.08 2.80 0.00 -0.34 -2.39 119.26 121.23 1twh h ALA 1346Ca 0.39 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1twh h ALA 1346Cb 0.70 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1twh h ALA 1346CO -0.15 0.88 -0.06 0.00 0.00 0.00 0.00 179.25 179.91 1twh h ALA 1347N 0.62 -0.14 -0.72 0.00 0.00 -0.99 -2.42 119.26 115.61 1twh h ALA 1347Ca -0.12 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.84 1twh h ALA 1347Cb 1.81 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.64 1twh h ALA 1347CO 0.19 -0.58 0.47 1.25 0.00 0.00 0.00 179.25 180.58 1twh h LEU 1348N -0.15 0.63 -0.55 0.00 5.85 -0.91 -0.49 115.31 119.69 1twh h LEU 1348Ca -0.00 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 1twh h LEU 1348Cb 0.14 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1twh h LEU 1348CO -0.01 0.40 -0.08 0.22 -0.34 0.00 0.00 178.44 178.63 1twh h TYR 1349N 0.71 1.14 0.00 1.25 3.20 -1.12 -1.63 116.97 120.52 1twh h TYR 1349Ca 0.32 -0.23 -0.08 0.00 3.14 0.00 0.00 58.73 61.88 1twh h TYR 1349Cb 0.32 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1twh h TYR 1349CO -0.00 1.05 -0.39 -0.22 -1.64 0.00 0.00 178.16 176.96 1twh h LYS 1350N 0.91 0.00 -0.46 1.82 3.64 -0.62 -2.28 116.57 119.57 1twh h LYS 1350Ca 0.15 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.39 1twh h LYS 1350Cb 0.65 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1twh h LYS 1350CO 0.04 0.39 -0.23 0.93 -2.27 0.00 0.00 179.45 178.31 1twh h GLU 1351N 0.00 0.96 0.01 1.90 4.39 -1.10 0.11 114.58 120.84 1twh h GLU 1351Ca -0.00 -0.41 -0.22 0.00 0.34 0.00 0.00 59.36 59.07 1twh h GLU 1351Cb 0.92 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1twh h GLU 1351CO 0.05 1.08 -0.94 0.28 -1.16 0.00 0.00 179.01 178.32 1twh h VAL 1352N 0.82 1.46 -0.40 3.13 2.07 -0.89 -2.21 116.25 120.22 1twh h VAL 1352Ca 0.10 -2.59 -0.14 0.00 0.82 0.00 0.00 66.70 64.90 1twh h VAL 1352Cb 0.80 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 1twh h VAL 1352CO 0.07 0.76 -0.31 0.22 0.02 0.00 0.00 177.57 178.33 1twh h TYR 1353N 0.16 1.03 0.22 1.57 3.20 -1.43 -2.31 116.97 119.41 1twh h TYR 1353Ca -0.07 -0.28 0.01 0.00 3.14 0.00 0.00 58.73 61.54 1twh h TYR 1353Cb 1.58 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 39.59 1twh h TYR 1353CO 0.05 1.07 -0.36 -0.91 -1.64 0.00 0.00 178.16 176.36 1twh h ASN 1354N 0.74 -1.03 -0.89 -2.11 2.35 -0.18 0.21 115.58 114.66 1twh h ASN 1354Ca 0.08 0.11 0.15 0.00 -0.55 0.00 0.00 56.30 56.09 1twh h ASN 1354Cb 0.87 0.37 -0.10 0.00 0.05 0.00 0.00 38.32 39.52 1twh h ASN 1354CO 0.08 -0.47 0.48 0.58 -1.65 0.00 0.00 177.43 176.45 1twh h VAL 1355N -0.66 0.73 0.09 2.81 2.07 -1.33 -1.11 116.25 118.84 1twh h VAL 1355Ca 0.00 -0.23 -0.27 0.00 0.82 0.00 0.00 66.70 67.03 1twh h VAL 1355Cb 0.65 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1twh h VAL 1355CO -0.15 0.12 -1.28 0.40 0.02 0.00 0.00 177.57 176.68 1twh h ILE 1356N 0.66 1.43 0.00 4.57 2.04 -0.54 -3.03 117.51 122.64 1twh h ILE 1356Ca 0.49 -3.07 0.00 0.00 1.00 0.00 0.00 64.86 63.28 1twh h ILE 1356Cb 0.70 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.63 1twh h ILE 1356CO -0.37 0.87 0.00 0.00 0.00 0.00 0.00 178.15 178.66 1twh n ALA 1357N -2.52 2.37 -0.03 1.87 0.00 0.57 -3.37 120.51 119.39 1twh n ALA 1357Ca -0.09 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.08 1twh n ALA 1357Cb 1.01 -1.44 -0.10 0.00 0.00 0.00 0.00 19.45 18.91 1twh n ALA 1357CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1twh h SER 1358N 0.00 0.18 0.00 0.00 4.64 -1.09 -2.73 113.55 114.54 1twh h SER 1358Ca 0.00 -0.64 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 1twh h SER 1358Cb 0.25 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1twh h SER 1358CO 0.00 0.79 0.00 0.47 -0.87 0.00 0.00 176.83 177.22 1twh n ASP 1359N -4.63 0.00 0.00 4.97 8.00 -1.25 -4.85 116.55 118.79 1twh n ASP 1359Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1twh n ASP 1359Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 1twh n ASP 1359CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1twh n GLY 1360N -0.90 2.03 3.95 0.44 0.00 -1.03 -5.03 105.19 104.66 1twh n GLY 1360Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1twh n GLY 1360CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1twh s SER 1361N -3.51 5.16 -0.07 1.61 1.04 -1.22 -4.99 113.70 111.72 1twh s SER 1361Ca 0.00 0.29 -0.04 0.00 0.48 0.00 0.00 55.95 56.68 1twh s SER 1361Cb 0.00 -1.11 0.03 0.00 0.10 0.00 0.00 66.02 65.04 1twh s SER 1361CO 0.00 -1.29 0.17 -0.47 0.98 0.00 0.00 173.24 172.62 1twh s TYR 1362N -2.98 -0.19 0.01 5.02 5.04 -1.26 -4.03 117.35 118.96 1twh s TYR 1362Ca 0.57 0.51 -0.01 0.00 -2.44 0.00 0.00 57.07 55.70 1twh s TYR 1362Cb -0.10 -0.02 -0.01 0.00 0.35 0.00 0.00 41.96 42.18 1twh s TYR 1362CO 0.42 -0.15 0.01 0.08 -1.34 0.00 0.00 175.55 174.57 1twh s VAL 1363N 0.83 0.07 0.30 3.14 1.01 -1.26 -4.70 120.40 119.79 1twh s VAL 1363Ca -0.06 -0.55 -0.28 0.00 0.00 0.00 0.00 61.98 61.08 1twh s VAL 1363Cb -0.08 -0.20 -0.09 0.00 0.00 0.00 0.00 36.38 36.01 1twh s VAL 1363CO -0.04 -0.30 1.04 0.21 0.00 0.00 0.00 175.10 176.00 1twh s ASN 1364N -0.91 7.25 0.22 3.32 2.47 -0.06 -4.89 114.94 122.34 1twh s ASN 1364Ca -0.10 2.10 0.04 0.00 0.42 0.00 0.00 52.86 55.32 1twh s ASN 1364Cb -0.06 -2.61 0.61 0.00 -1.45 0.00 0.00 41.25 37.74 1twh s ASN 1364CO -0.00 -0.14 1.08 0.00 -3.72 0.00 0.00 177.10 174.31 1twh n TYR 1365N 0.92 0.51 0.18 0.43 9.36 -1.26 -0.70 117.16 126.61 1twh n TYR 1365Ca 0.00 0.82 0.00 0.00 3.32 0.00 0.00 57.90 62.05 1twh n TYR 1365Cb 0.47 -1.06 0.00 0.00 -0.63 0.00 0.00 39.34 38.12 1twh n TYR 1365CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 1twh n ARG 1366N -4.85 0.11 -0.05 2.98 0.00 -1.26 -1.53 116.66 112.06 1twh n ARG 1366Ca 0.18 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.95 1twh n ARG 1366Cb 0.60 -1.01 -0.04 0.00 -0.00 0.00 0.00 32.46 32.01 1twh n ARG 1366CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1twh n HIS 1367N -0.24 0.00 0.03 2.89 8.25 0.12 -4.59 115.22 121.68 1twh n HIS 1367Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 1twh n HIS 1367Cb 0.01 -0.35 -0.08 0.00 1.12 0.00 0.00 29.99 30.68 1twh n HIS 1367CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1twh n MET 1368N -3.13 0.63 0.10 -0.41 2.81 -0.97 -2.95 117.12 113.20 1twh n MET 1368Ca -0.18 0.04 -0.22 0.00 -1.81 0.00 0.00 57.70 55.54 1twh n MET 1368Cb 0.65 -1.71 -0.13 0.00 -0.71 0.00 0.00 33.22 31.33 1twh n MET 1368CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1twh h ALA 1369N 1.76 -0.00 -0.99 3.04 0.00 -1.57 -2.49 119.26 119.00 1twh h ALA 1369Ca -0.09 -0.79 0.14 0.00 0.00 0.00 0.00 54.91 54.17 1twh h ALA 1369Cb 1.26 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 19.07 1twh h ALA 1369CO 0.01 0.71 0.62 1.25 0.00 0.00 0.00 179.25 181.84 1twh h LEU 1370N 0.26 0.88 -0.49 0.00 5.85 -1.77 0.20 115.31 120.23 1twh h LEU 1370Ca -0.19 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 1twh h LEU 1370Cb 1.94 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.84 1twh h LEU 1370CO 0.24 0.43 -0.06 0.25 -0.34 0.00 0.00 178.44 178.96 1twh h LEU 1371N 0.93 0.91 -0.31 2.25 5.85 -1.41 -1.82 115.31 121.71 1twh h LEU 1371Ca 0.51 -0.34 -0.20 0.00 0.84 0.00 0.00 57.88 58.70 1twh h LEU 1371Cb 0.58 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1twh h LEU 1371CO -0.29 1.03 -0.75 0.58 -0.34 0.00 0.00 178.44 178.67 1twh h VAL 1372N 0.77 1.34 -0.50 1.05 2.07 -0.88 0.14 116.25 120.24 1twh h VAL 1372Ca 0.13 -2.07 0.04 0.00 0.82 0.00 0.00 66.70 65.62 1twh h VAL 1372Cb 0.60 2.06 -0.04 0.00 -1.52 0.00 0.00 31.29 32.39 1twh h VAL 1372CO 0.04 0.64 0.27 0.44 0.02 0.00 0.00 177.57 178.97 1twh h ASP 1373N 0.38 0.41 -0.86 0.57 3.32 -0.41 0.79 116.42 120.62 1twh h ASP 1373Ca -0.04 0.02 0.11 0.00 0.02 0.00 0.00 57.03 57.14 1twh h ASP 1373Cb 1.35 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.77 1twh h ASP 1373CO 0.14 0.28 0.56 0.58 -1.72 0.00 0.00 179.24 179.08 1twh h VAL 1374N 0.53 0.92 -0.00 -1.35 2.07 -0.64 -1.04 116.25 116.74 1twh h VAL 1374Ca 0.21 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1twh h VAL 1374Cb 0.09 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1twh h VAL 1374CO -0.13 0.14 -0.03 0.23 0.02 0.00 0.00 177.57 177.81 1twh n MET 1375N -4.53 0.87 0.00 1.57 2.81 0.43 -3.64 117.12 114.63 1twh n MET 1375Ca 0.15 -0.16 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1twh n MET 1375Cb 0.36 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 1twh n MET 1375CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1twh n THR 1376N -0.92 0.15 0.28 2.03 -1.04 -0.71 -1.83 114.28 112.24 1twh n THR 1376Ca 0.19 -0.16 0.12 0.00 -2.04 0.00 0.00 64.05 62.16 1twh n THR 1376Cb 0.21 1.04 0.20 0.00 -1.82 0.00 0.00 70.33 69.96 1twh n THR 1376CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1twh h THR 1377N 2.24 0.00 -0.11 12.58 1.35 -1.28 -2.22 112.91 125.47 1twh h THR 1377Ca 0.00 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 1twh h THR 1377Cb 0.84 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1twh h THR 1377CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1twh n GLN 1378N -2.95 1.31 0.00 4.72 6.02 -1.26 -4.89 117.38 120.33 1twh n GLN 1378Ca 0.04 -0.47 0.00 0.00 -0.01 0.00 0.00 57.00 56.56 1twh n GLN 1378Cb 0.52 -1.20 0.00 0.00 1.02 0.00 0.00 30.24 30.57 1twh n GLN 1378CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1twh n GLY 1379N 0.81 3.35 0.72 1.08 0.00 -0.84 -5.00 105.19 105.31 1twh n GLY 1379Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 1twh n GLY 1379CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1twh n GLY 1380N -1.71 4.07 3.45 -0.02 0.00 -1.26 -4.80 105.19 104.92 1twh n GLY 1380Ca 0.00 -2.23 -0.44 0.00 0.00 0.00 0.00 46.02 43.35 1twh n GLY 1380CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1twh s LEU 1381N 0.00 4.95 -0.17 0.99 1.43 -1.26 -3.91 118.68 120.72 1twh s LEU 1381Ca 0.00 -0.89 -0.07 0.00 -1.03 0.00 0.00 54.13 52.14 1twh s LEU 1381Cb 0.00 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1twh s LEU 1381CO 0.00 -0.89 0.08 -0.89 0.23 0.00 0.00 176.35 174.88 1twh s THR 1382N 2.64 4.93 0.56 5.49 2.01 -0.76 -5.02 115.64 125.49 1twh s THR 1382Ca 0.15 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.04 1twh s THR 1382Cb -0.19 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 1twh s THR 1382CO 0.12 0.49 0.98 -0.55 -0.69 0.00 0.00 174.62 174.97 1twh s SER 1383N 0.05 6.38 -0.27 3.53 0.15 -1.26 -4.69 113.70 117.58 1twh s SER 1383Ca 0.06 1.40 -0.06 0.00 0.70 0.00 0.00 55.95 58.06 1twh s SER 1383Cb -0.12 -2.45 -0.14 0.00 -1.71 0.00 0.00 66.02 61.59 1twh s SER 1383CO 0.00 -0.72 -0.29 1.33 1.20 0.00 0.00 173.24 174.76 1twh n VAL 1384N -2.23 1.50 -0.40 4.45 0.24 -1.14 -5.04 118.33 115.70 1twh n VAL 1384Ca 0.05 -0.48 -0.19 0.00 -2.04 0.00 0.00 64.34 61.69 1twh n VAL 1384Cb 0.54 -1.64 -0.04 0.00 -1.47 0.00 0.00 33.84 31.23 1twh n VAL 1384CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1twh n THR 1385N -3.74 0.00 0.00 3.34 -1.04 -1.26 -4.71 114.28 106.87 1twh n THR 1385Ca -0.50 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 1twh n THR 1385Cb 0.94 -0.16 0.00 0.00 -1.82 0.00 0.00 70.33 69.29 1twh n THR 1385CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1twh n THR 1405N 2.06 0.00 -0.03 12.58 5.66 -1.26 -5.07 114.28 128.22 1twh n THR 1405Ca 0.17 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 61.01 1twh n THR 1405Cb -0.01 -0.77 -0.07 0.00 -1.55 0.00 0.00 70.33 67.92 1twh n THR 1405CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1twh h VAL 1406N 0.00 1.30 -0.44 1.08 2.07 -2.01 0.03 116.25 118.28 1twh h VAL 1406Ca 0.00 -1.90 0.06 0.00 0.82 0.00 0.00 66.70 65.69 1twh h VAL 1406Cb 0.91 2.01 -0.07 0.00 -1.52 0.00 0.00 31.29 32.61 1twh h VAL 1406CO 0.00 0.59 -0.19 1.21 0.02 0.00 0.00 177.57 179.20 1twh n GLU 1407N -4.04 -0.12 0.00 1.57 2.13 -1.26 -0.38 120.64 118.54 1twh n GLU 1407Ca -0.07 0.67 -0.12 0.00 0.66 0.00 0.00 57.16 58.30 1twh n GLU 1407Cb 0.69 -0.99 0.01 0.00 0.27 0.00 0.00 31.44 31.42 1twh n GLU 1407CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1twh h ILE 1408N 0.00 1.32 -0.52 6.31 1.08 -1.44 -2.74 117.51 121.52 1twh h ILE 1408Ca 0.13 -1.92 -0.12 0.00 -0.39 0.00 0.00 64.86 62.56 1twh h ILE 1408Cb 0.24 1.89 -0.02 0.00 -3.07 0.00 0.00 36.82 35.87 1twh h ILE 1408CO -0.43 0.60 -0.14 -0.07 -0.69 0.00 0.00 178.15 177.42 1twh h LEU 1409N 0.43 1.02 -0.74 1.44 3.38 -1.24 -2.45 115.31 117.15 1twh h LEU 1409Ca -0.01 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 57.69 1twh h LEU 1409Cb 1.22 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.63 1twh h LEU 1409CO 0.12 1.14 0.41 -0.26 0.09 0.00 0.00 178.44 179.94 1twh h PHE 1410N 0.89 0.74 -0.03 1.13 0.05 -0.42 -0.99 116.94 118.31 1twh h PHE 1410Ca 0.13 0.03 -0.11 0.00 3.82 0.00 0.00 57.97 61.84 1twh h PHE 1410Cb 0.70 -0.22 -0.01 0.00 2.00 0.00 0.00 35.95 38.42 1twh h PHE 1410CO 0.05 0.32 -0.50 0.93 -0.18 0.00 0.00 178.31 178.93 1twh h GLU 1411N 0.71 0.08 -0.70 1.51 4.39 -1.20 -2.04 114.58 117.33 1twh h GLU 1411Ca 0.35 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.99 1twh h GLU 1411Cb 0.29 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 1twh h GLU 1411CO -0.22 0.56 0.37 0.00 -1.16 0.00 0.00 179.01 178.56 1twh h ALA 1412N 1.43 0.90 -0.01 3.43 0.00 -0.87 0.39 119.26 124.53 1twh h ALA 1412Ca -0.00 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1twh h ALA 1412Cb 0.90 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1twh h ALA 1412CO 0.07 0.43 -0.32 0.78 0.00 0.00 0.00 179.25 180.21 1twh h GLY 1413N 0.97 -0.52 1.76 0.00 0.00 -0.75 0.20 103.07 104.73 1twh h GLY 1413Ca 0.25 0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.96 1twh h GLY 1413CO -0.04 -0.23 -0.08 0.00 0.00 0.00 0.00 176.54 176.19 1twh n ALA 1414N -2.77 2.55 0.12 3.60 0.00 0.27 -2.42 120.51 121.86 1twh n ALA 1414Ca -0.05 -0.15 0.11 0.00 0.00 0.00 0.00 53.44 53.36 1twh n ALA 1414Cb 0.32 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.32 1twh n ALA 1414CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1twh n SER 1415N -1.46 0.61 -3.05 0.00 7.64 0.11 -4.55 113.62 112.92 1twh n SER 1415Ca 0.08 0.19 -0.13 0.00 1.01 0.00 0.00 58.87 60.02 1twh n SER 1415Cb 0.33 0.87 0.06 0.00 -1.01 0.00 0.00 64.21 64.46 1twh n SER 1415CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1twh n ALA 1416N -2.16 -2.15 -2.01 -0.43 0.00 -0.01 -4.74 120.51 109.01 1twh n ALA 1416Ca -0.01 0.09 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 1twh n ALA 1416Cb 0.54 -4.57 -0.04 0.00 0.00 0.00 0.00 19.45 15.38 1twh n ALA 1416CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1twh s GLU 1417N -4.41 4.63 -0.39 0.00 2.12 -0.80 -4.67 118.70 115.19 1twh s GLU 1417Ca 0.32 1.70 -0.10 0.00 0.36 0.00 0.00 54.97 57.25 1twh s GLU 1417Cb -0.04 -3.27 0.05 0.00 0.26 0.00 0.00 34.13 31.13 1twh s GLU 1417CO 0.64 0.13 0.22 -1.17 -0.54 0.00 0.00 175.26 174.55 1twh s LEU 1418N -0.55 4.86 -0.35 2.70 2.96 -1.26 0.20 118.68 127.23 1twh s LEU 1418Ca 0.48 -1.21 -0.19 0.00 -0.22 0.00 0.00 54.13 52.99 1twh s LEU 1418Cb -0.29 -2.00 -0.00 0.00 0.50 0.00 0.00 46.19 44.40 1twh s LEU 1418CO 0.35 -0.44 0.55 -1.81 -1.32 0.00 0.00 176.35 173.68 1twh s ASP 1419N 1.77 6.35 0.14 3.68 1.11 -0.40 -4.94 116.67 124.38 1twh s ASP 1419Ca 0.02 0.02 0.11 0.00 0.18 0.00 0.00 52.55 52.87 1twh s ASP 1419Cb -0.21 -2.29 0.55 0.00 1.07 0.00 0.00 42.92 42.05 1twh s ASP 1419CO 0.05 -0.52 1.33 0.47 1.18 0.00 0.00 175.17 177.67 1twh n ASP 1420N 5.84 0.26 -1.25 0.27 8.00 -1.26 -0.95 116.55 127.46 1twh n ASP 1420Ca -0.04 0.61 -0.12 0.00 0.71 0.00 0.00 54.79 55.96 1twh n ASP 1420Cb 0.49 -0.65 -0.02 0.00 -0.02 0.00 0.00 41.12 40.92 1twh n ASP 1420CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1twh n ARG 1422N -2.29 0.43 -1.63 0.00 1.74 -1.26 -4.76 116.66 108.88 1twh n ARG 1422Ca -0.14 -0.89 -0.30 0.00 -0.77 0.00 0.00 57.85 55.75 1twh n ARG 1422Cb 0.55 -1.13 0.09 0.00 -1.02 0.00 0.00 32.46 30.95 1twh n ARG 1422CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1twh s GLY 1423N -0.72 1.62 0.08 -0.13 0.00 -1.26 -4.40 107.32 102.50 1twh s GLY 1423Ca 0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 44.72 44.49 1twh s GLY 1423CO 0.11 0.14 1.15 -2.08 0.00 0.00 0.00 173.10 172.43 1twh h VAL 1424N -1.07 1.53 0.83 1.40 2.07 -1.97 -3.24 116.25 115.79 1twh h VAL 1424Ca -0.47 -3.13 -0.04 0.00 0.82 0.00 0.00 66.70 63.88 1twh h VAL 1424Cb 1.28 2.92 0.01 0.00 -1.52 0.00 0.00 31.29 33.97 1twh h VAL 1424CO 0.61 0.91 -0.40 0.28 0.02 0.00 0.00 177.57 178.99 1twh h SER 1425N 0.06 -0.94 -0.94 0.57 0.02 -1.98 0.16 113.55 110.50 1twh h SER 1425Ca -0.11 0.03 0.19 0.00 -0.84 0.00 0.00 61.79 61.06 1twh h SER 1425Cb 1.93 0.24 -0.18 0.00 0.14 0.00 0.00 62.40 64.54 1twh h SER 1425CO 0.19 -0.62 -0.21 -0.62 -1.14 0.00 0.00 176.83 174.42 1twh n GLU 1426N -5.26 -0.08 -0.03 3.45 1.02 -1.26 -0.23 120.64 118.25 1twh n GLU 1426Ca -0.14 1.46 0.06 0.00 -0.02 0.00 0.00 57.16 58.52 1twh n GLU 1426Cb 0.44 -2.19 0.43 0.00 -0.02 0.00 0.00 31.44 30.10 1twh n GLU 1426CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1twh h ASN 1427N 0.00 0.46 0.54 1.62 2.35 -1.47 -1.90 115.58 117.18 1twh h ASN 1427Ca 0.46 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 56.18 1twh h ASN 1427Cb 0.73 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.99 1twh h ASN 1427CO -0.96 0.32 -0.26 0.58 -1.65 0.00 0.00 177.43 175.46 1twh h VAL 1428N 0.54 0.45 -0.94 2.81 2.07 0.24 0.68 116.25 122.11 1twh h VAL 1428Ca 0.19 -0.11 0.28 0.00 0.82 0.00 0.00 66.70 67.87 1twh h VAL 1428Cb 0.08 0.50 -0.17 0.00 -1.52 0.00 0.00 31.29 30.17 1twh h VAL 1428CO -0.05 0.02 0.10 -0.38 0.02 0.00 0.00 177.57 177.28 1twh n ILE 1429N -5.38 -0.39 0.78 4.57 5.41 -0.58 -0.41 119.36 123.36 1twh n ILE 1429Ca -0.12 2.04 0.10 0.00 1.00 0.00 0.00 62.75 65.77 1twh n ILE 1429Cb 0.31 -3.02 0.28 0.00 -0.71 0.00 0.00 39.64 36.50 1twh n ILE 1429CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1twh n LEU 1430N -5.34 2.38 -0.66 1.39 4.77 -0.70 -4.92 117.00 113.93 1twh n LEU 1430Ca 0.24 -1.06 -0.05 0.00 -0.03 0.00 0.00 56.01 55.11 1twh n LEU 1430Cb 0.80 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1twh n LEU 1430CO -0.06 0.53 -0.05 0.61 -1.33 0.00 0.00 177.39 177.09 1twh n GLY 1431N 1.26 0.21 3.18 -0.72 0.00 0.18 -4.98 105.19 104.32 1twh n GLY 1431Ca 0.17 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.39 1twh n GLY 1431CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1twh s GLN 1432N -4.38 0.84 0.29 1.61 -0.21 0.18 -5.02 119.66 112.97 1twh s GLN 1432Ca 0.02 -1.13 -0.29 0.00 0.02 0.00 0.00 55.36 53.98 1twh s GLN 1432Cb -0.01 -0.57 -0.09 0.00 1.00 0.00 0.00 33.01 33.34 1twh s GLN 1432CO 0.02 0.09 1.06 0.00 -2.12 0.00 0.00 175.29 174.35 1twh s MET 1433N -2.65 4.60 0.33 2.91 0.00 -1.26 -4.15 119.30 119.08 1twh s MET 1433Ca 0.04 1.70 -0.27 0.00 0.00 0.00 0.00 55.69 57.17 1twh s MET 1433Cb -0.04 -3.09 -0.09 0.00 0.00 0.00 0.00 34.83 31.61 1twh s MET 1433CO 0.00 0.20 1.04 0.00 0.00 0.00 0.00 175.02 176.26 1twh s ALA 1434N -1.25 3.24 -1.17 3.16 0.00 -1.26 -4.91 121.76 119.57 1twh s ALA 1434Ca 0.46 0.73 -0.08 0.00 0.00 0.00 0.00 51.96 53.07 1twh s ALA 1434Cb -0.29 -3.27 -0.11 0.00 0.00 0.00 0.00 23.12 19.45 1twh s ALA 1434CO 0.37 -0.09 2.82 -0.35 0.00 0.00 0.00 175.76 178.51 1twh n PRO 1435N 0.61 2.97 -4.57 0.00 -0.04 -1.26 -4.04 135.00 128.68 1twh n PRO 1435Ca 0.02 -1.78 -0.23 0.00 -0.04 0.00 0.00 63.50 61.46 1twh n PRO 1435Cb 0.48 -2.56 -0.14 0.00 -0.04 0.00 0.00 33.50 31.24 1twh n PRO 1435CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1twh s ILE 1436N 2.29 1.34 0.00 0.52 -5.25 -1.25 -4.31 121.20 114.55 1twh s ILE 1436Ca 0.61 -0.97 0.00 0.00 -0.99 0.00 0.00 60.65 59.30 1twh s ILE 1436Cb 0.18 -1.17 0.00 0.00 2.95 0.00 0.00 42.46 44.42 1twh s ILE 1436CO -0.04 0.18 0.00 0.61 -1.79 0.00 0.00 174.94 173.89 1twh n GLY 1437N 2.12 3.07 0.00 6.27 0.00 -0.67 0.62 105.19 116.60 1twh n GLY 1437Ca -0.17 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 45.72 1twh n GLY 1437CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1twh n THR 1438N 0.00 0.78 -0.44 2.61 5.66 -1.26 -1.92 114.28 119.71 1twh n THR 1438Ca 0.00 0.19 0.11 0.00 -3.05 0.00 0.00 64.05 61.31 1twh n THR 1438Cb 0.00 -1.03 0.33 0.00 -1.55 0.00 0.00 70.33 68.08 1twh n THR 1438CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1twh n GLY 1439N -0.45 2.59 1.44 1.09 0.00 0.20 -4.64 105.19 105.42 1twh n GLY 1439Ca 0.05 -0.81 0.06 0.00 0.00 0.00 0.00 46.02 45.32 1twh n GLY 1439CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1twh n ALA 1440N 1.49 3.30 -3.23 4.61 0.00 -0.81 -3.91 120.51 121.96 1twh n ALA 1440Ca 0.25 -1.34 -0.13 0.00 0.00 0.00 0.00 53.44 52.22 1twh n ALA 1440Cb 0.70 -1.07 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 1twh n ALA 1440CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1twh s PHE 1441N -2.09 -0.37 0.20 0.00 -0.12 -1.26 -4.98 117.98 109.36 1twh s PHE 1441Ca 0.40 0.27 0.07 0.00 -0.05 0.00 0.00 56.93 57.62 1twh s PHE 1441Cb 0.29 0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.99 1twh s PHE 1441CO 0.15 -0.69 0.08 -0.51 -0.05 0.00 0.00 175.22 174.20 1twh s ASP 1442N -2.34 5.11 -0.10 1.98 1.01 -1.26 -5.10 116.67 115.97 1twh s ASP 1442Ca -0.02 -0.33 -0.01 0.00 0.71 0.00 0.00 52.55 52.90 1twh s ASP 1442Cb -0.00 -1.19 -0.03 0.00 1.01 0.00 0.00 42.92 42.71 1twh s ASP 1442CO -0.07 0.04 -0.06 -0.69 0.21 0.00 0.00 175.17 174.60 1twh s VAL 1443N -1.92 3.72 0.25 -1.27 1.01 -1.26 -5.13 120.40 115.81 1twh s VAL 1443Ca 0.30 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1twh s VAL 1443Cb -0.09 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1twh s VAL 1443CO 0.22 0.56 0.17 -0.04 0.00 0.00 0.00 175.10 176.00 1twh s MET 1444N -0.31 1.41 -0.00 2.72 1.00 -1.26 -5.13 119.30 117.73 1twh s MET 1444Ca 0.05 -1.78 -0.23 0.00 0.00 0.00 0.00 55.69 53.72 1twh s MET 1444Cb -0.13 0.21 -0.05 0.00 0.00 0.00 0.00 34.83 34.87 1twh s MET 1444CO 0.02 -0.46 0.71 0.96 0.00 0.00 0.00 175.02 176.25 1twh s ILE 1445N -3.88 4.88 -1.22 2.53 -4.36 -1.26 -4.97 121.20 112.92 1twh s ILE 1445Ca 0.39 1.49 -0.14 0.00 -0.26 0.00 0.00 60.65 62.13 1twh s ILE 1445Cb 0.06 -4.05 0.17 0.00 1.25 0.00 0.00 42.46 39.88 1twh s ILE 1445CO 0.17 0.34 1.45 -0.62 0.24 0.00 0.00 174.94 176.52 1twh s ASP 1446N 0.21 7.07 0.12 4.36 -1.08 -1.26 -4.93 116.67 121.16 1twh s ASP 1446Ca 0.37 -2.99 -0.06 0.00 -0.52 0.00 0.00 52.55 49.34 1twh s ASP 1446Cb -0.19 -2.41 -0.11 0.00 -1.46 0.00 0.00 42.92 38.75 1twh s ASP 1446CO 0.20 -0.76 1.30 -0.08 0.52 0.00 0.00 175.17 176.35 1twh h GLU 1447N 7.14 0.48 0.00 4.34 4.57 -2.08 -3.22 114.58 125.82 1twh h GLU 1447Ca 0.32 -0.50 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1twh h GLU 1447Cb 0.87 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1twh h GLU 1447CO 1.26 1.14 0.00 -0.85 -1.18 0.00 0.00 179.01 179.38 1twh n GLU 1448N -3.78 0.00 -4.36 1.92 0.28 -1.26 -4.88 120.64 108.55 1twh n GLU 1448Ca -0.07 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.70 1twh n GLU 1448Cb 0.83 -1.26 -0.11 0.00 1.43 0.00 0.00 31.44 32.33 1twh n GLU 1448CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1twh s SER 1449N -0.85 2.91 0.00 -1.84 1.04 -1.22 -5.34 113.70 108.40 1twh s SER 1449Ca 0.00 -0.89 0.27 0.00 0.48 0.00 0.00 55.95 55.81 1twh s SER 1449Cb 0.00 -0.19 1.58 0.00 0.10 0.00 0.00 66.02 67.51 1twh s SER 1449CO 0.00 -0.00 1.93 0.18 0.98 0.00 0.00 173.24 176.33