#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a8u s PHE 2 N 0.00 0.36 -0.11 6.00 0.08 -1.26 -1.16 117.98 121.89 1a8u s PHE 2 Ca 0.00 -0.61 0.02 0.00 0.12 0.00 0.00 56.93 56.46 1a8u s PHE 2 Cb 0.00 -0.25 0.01 0.00 -0.57 0.00 0.00 43.02 42.21 1a8u s PHE 2 CO 0.00 -0.20 -0.17 0.42 -0.10 0.00 0.00 175.22 175.17 1a8u s ILE 3 N -1.83 1.63 -0.07 0.64 1.01 -0.30 -4.93 121.20 117.36 1a8u s ILE 3 Ca -0.12 -0.73 -0.30 0.00 0.00 0.00 0.00 60.65 59.51 1a8u s ILE 3 Cb -0.07 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 1a8u s ILE 3 CO -0.02 0.47 1.04 -0.89 0.00 0.00 0.00 174.94 175.54 1a8u s THR 4 N 0.85 4.68 -0.61 2.92 2.01 -1.26 -0.69 115.64 123.54 1a8u s THR 4 Ca -0.09 1.95 0.06 0.00 0.31 0.00 0.00 61.69 63.92 1a8u s THR 4 Cb -0.15 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.12 1a8u s THR 4 CO 0.00 0.03 0.55 1.33 -0.69 0.00 0.00 174.62 175.84 1a8u n VAL 5 N 4.44 0.00 -2.06 3.82 0.24 0.10 -4.98 118.33 119.89 1a8u n VAL 5 Ca 0.09 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1a8u n VAL 5 Cb 0.49 1.09 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 1a8u n VAL 5 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a8u n GLY 6 N 0.60 -1.47 3.22 7.63 0.00 -1.20 -4.90 105.19 109.08 1a8u n GLY 6 Ca 0.03 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 1a8u n GLY 6 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a8u s GLN 7 N -1.20 1.11 -0.24 1.61 -1.52 -1.26 -0.03 119.66 118.13 1a8u s GLN 7 Ca 0.00 -0.96 -0.02 0.00 -1.95 0.00 0.00 55.36 52.43 1a8u s GLN 7 Cb 0.00 -1.23 0.08 0.00 -0.22 0.00 0.00 33.01 31.63 1a8u s GLN 7 CO 0.00 0.30 0.06 -2.00 -0.25 0.00 0.00 175.29 173.40 1a8u s GLU 8 N -1.46 0.66 5.05 2.91 2.12 0.48 -4.82 118.70 123.64 1a8u s GLU 8 Ca 0.04 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 54.73 1a8u s GLU 8 Cb -0.09 -2.01 0.00 0.00 0.26 0.00 0.00 34.13 32.29 1a8u s GLU 8 CO 0.02 -0.77 0.00 0.09 -0.54 0.00 0.00 175.26 174.06 1a8u n ASN 9 N 5.00 0.00 -0.00 -1.70 3.02 -1.26 -0.87 115.26 119.45 1a8u n ASN 9 Ca -0.07 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.64 1a8u n ASN 9 Cb 0.45 0.00 0.92 0.00 -0.61 0.00 0.00 39.78 40.54 1a8u n ASN 9 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1a8u n SER 10 N 4.53 0.01 -4.68 6.41 3.41 -1.26 -4.88 113.62 117.15 1a8u n SER 10 Ca 0.00 -0.87 -0.23 0.00 -0.26 0.00 0.00 58.87 57.52 1a8u n SER 10 Cb 0.00 -0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 63.84 1a8u n SER 10 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1a8u s THR 11 N -2.09 3.62 0.01 6.66 -4.23 -0.05 -5.12 115.64 114.43 1a8u s THR 11 Ca 0.45 -1.82 -0.07 0.00 -1.18 0.00 0.00 61.69 59.07 1a8u s THR 11 Cb 0.22 -2.95 -0.05 0.00 1.34 0.00 0.00 72.50 71.06 1a8u s THR 11 CO 0.38 -0.36 0.27 -0.94 -0.54 0.00 0.00 174.62 173.43 1a8u s SER 12 N -3.71 6.51 -0.49 3.99 1.04 -1.26 -0.39 113.70 119.38 1a8u s SER 12 Ca 0.32 0.58 -0.22 0.00 0.48 0.00 0.00 55.95 57.10 1a8u s SER 12 Cb -0.07 -2.10 0.04 0.00 0.10 0.00 0.00 66.02 64.00 1a8u s SER 12 CO 0.21 0.26 0.78 -0.63 0.98 0.00 0.00 173.24 174.83 1a8u s ILE 13 N -1.29 4.64 -0.09 -1.02 1.01 0.95 -4.84 121.20 120.57 1a8u s ILE 13 Ca 0.27 0.12 0.01 0.00 0.00 0.00 0.00 60.65 61.06 1a8u s ILE 13 Cb -0.13 -4.37 -0.02 0.00 0.01 0.00 0.00 42.46 37.95 1a8u s ILE 13 CO 0.16 -0.85 -0.12 -1.81 0.00 0.00 0.00 174.94 172.32 1a8u s ASP 14 N 2.47 4.16 -0.19 3.58 1.01 -1.26 -0.72 116.67 125.71 1a8u s ASP 14 Ca 0.26 -0.23 -0.08 0.00 0.71 0.00 0.00 52.55 53.21 1a8u s ASP 14 Cb -0.14 -1.29 -0.04 0.00 1.01 0.00 0.00 42.92 42.46 1a8u s ASP 14 CO 0.19 0.26 0.09 -0.76 0.21 0.00 0.00 175.17 175.15 1a8u s LEU 15 N -0.19 3.94 0.31 1.23 1.43 0.13 -0.92 118.68 124.60 1a8u s LEU 15 Ca 0.01 0.12 -0.29 0.00 -1.03 0.00 0.00 54.13 52.93 1a8u s LEU 15 Cb -0.13 -2.01 -0.10 0.00 0.03 0.00 0.00 46.19 43.98 1a8u s LEU 15 CO 0.03 0.16 1.20 -0.47 0.23 0.00 0.00 176.35 177.50 1a8u s TYR 16 N 0.44 3.32 0.18 0.29 5.04 -1.26 -1.15 117.35 124.21 1a8u s TYR 16 Ca 0.05 1.56 -0.12 0.00 -2.44 0.00 0.00 57.07 56.12 1a8u s TYR 16 Cb -0.12 -3.48 0.01 0.00 0.35 0.00 0.00 41.96 38.72 1a8u s TYR 16 CO -0.00 -1.19 0.38 1.52 -1.34 0.00 0.00 175.55 174.92 1a8u s TYR 17 N -1.15 0.19 0.11 4.97 1.13 -0.31 -0.95 117.35 121.33 1a8u s TYR 17 Ca 0.47 -0.55 0.04 0.00 -1.41 0.00 0.00 57.07 55.62 1a8u s TYR 17 Cb -0.36 0.13 -0.04 0.00 -1.10 0.00 0.00 41.96 40.59 1a8u s TYR 17 CO 0.47 -0.80 -0.10 -1.21 -2.51 0.00 0.00 175.55 171.40 1a8u s GLU 18 N -3.93 0.89 -0.23 -3.49 2.02 -0.33 -3.60 118.70 110.03 1a8u s GLU 18 Ca 0.14 -1.24 -0.03 0.00 0.02 0.00 0.00 54.97 53.86 1a8u s GLU 18 Cb 0.02 -0.53 0.11 0.00 0.10 0.00 0.00 34.13 33.83 1a8u s GLU 18 CO -0.01 0.07 0.24 0.34 0.02 0.00 0.00 175.26 175.93 1a8u s ASP 19 N -2.66 1.46 0.15 -0.19 -1.08 -1.26 -1.93 116.67 111.16 1a8u s ASP 19 Ca 0.09 -0.36 0.08 0.00 -0.52 0.00 0.00 52.55 51.83 1a8u s ASP 19 Cb -0.01 0.43 -0.04 0.00 -1.46 0.00 0.00 42.92 41.84 1a8u s ASP 19 CO -0.00 -0.34 -0.17 -1.00 0.52 0.00 0.00 175.17 174.18 1a8u s HIS 20 N 2.34 1.66 0.00 -5.34 3.76 -0.14 -4.98 115.29 112.59 1a8u s HIS 20 Ca 0.08 -0.50 0.00 0.00 -0.15 0.00 0.00 55.06 54.48 1a8u s HIS 20 Cb -0.15 -0.84 0.00 0.00 1.11 0.00 0.00 32.58 32.69 1a8u s HIS 20 CO -0.18 0.26 0.00 0.41 -0.85 0.00 0.00 174.74 174.38 1a8u n GLY 21 N 0.36 -2.11 3.24 -2.22 0.00 -1.26 -0.17 105.19 103.03 1a8u n GLY 21 Ca -0.14 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 1a8u n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8u s ALA 22 N -1.05 -0.82 0.00 4.61 0.00 -1.23 -4.77 121.76 118.50 1a8u s ALA 22 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1a8u s ALA 22 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.84 1a8u s ALA 22 CO 0.00 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1a8u n GLY 23 N 2.18 0.78 3.77 0.00 0.00 -1.26 -3.56 105.19 107.09 1a8u n GLY 23 Ca -0.17 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 1a8u n GLY 23 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a8u s GLN 24 N -1.36 4.17 -0.03 1.61 0.74 -1.26 -3.96 119.66 119.57 1a8u s GLN 24 Ca 0.00 2.48 -0.30 0.00 0.05 0.00 0.00 55.36 57.59 1a8u s GLN 24 Cb 0.00 -3.02 -0.03 0.00 1.10 0.00 0.00 33.01 31.06 1a8u s GLN 24 CO 0.00 -0.49 1.13 -1.25 -0.55 0.00 0.00 175.29 174.13 1a8u s PRO 25 N -1.44 4.42 -0.21 1.67 0.04 -1.26 -1.62 135.00 136.61 1a8u s PRO 25 Ca 0.55 1.60 0.01 0.00 0.04 0.00 0.00 61.00 63.21 1a8u s PRO 25 Cb -0.45 -3.49 0.03 0.00 0.04 0.00 0.00 34.50 30.63 1a8u s PRO 25 CO 0.55 -0.31 -0.16 0.08 0.04 0.00 0.00 177.00 177.20 1a8u s VAL 26 N 1.72 2.17 -0.29 -0.36 1.01 0.14 -0.94 120.40 123.85 1a8u s VAL 26 Ca 0.54 -1.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 1a8u s VAL 26 Cb -0.24 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1a8u s VAL 26 CO 0.24 0.37 0.19 -0.69 0.00 0.00 0.00 175.10 175.21 1a8u s VAL 27 N 1.25 5.27 -0.20 2.92 1.01 0.62 -0.86 120.40 130.40 1a8u s VAL 27 Ca 0.01 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 1a8u s VAL 27 Cb -0.15 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1a8u s VAL 27 CO -0.10 0.21 0.07 -0.76 0.00 0.00 0.00 175.10 174.51 1a8u s LEU 28 N 1.75 3.70 -0.27 3.92 1.43 0.07 -0.33 118.68 128.94 1a8u s LEU 28 Ca 0.07 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 1a8u s LEU 28 Cb -0.16 -1.95 0.07 0.00 0.03 0.00 0.00 46.19 44.17 1a8u s LEU 28 CO 0.11 0.11 -0.08 -0.63 0.23 0.00 0.00 176.35 176.08 1a8u s ILE 29 N 0.77 2.14 0.99 -0.59 1.01 0.10 -3.88 121.20 121.75 1a8u s ILE 29 Ca 0.04 -1.72 -0.13 0.00 0.00 0.00 0.00 60.65 58.83 1a8u s ILE 29 Cb -0.13 -2.31 0.18 0.00 0.01 0.00 0.00 42.46 40.21 1a8u s ILE 29 CO 0.02 -0.12 1.12 -1.38 0.00 0.00 0.00 174.94 174.58 1a8u s HIS 30 N 1.09 2.03 0.58 3.97 -3.43 -1.26 -1.29 115.29 116.97 1a8u s HIS 30 Ca -0.06 0.83 0.08 0.00 -0.80 0.00 0.00 55.06 55.11 1a8u s HIS 30 Cb -0.20 -3.38 0.08 0.00 -1.43 0.00 0.00 32.58 27.65 1a8u s HIS 30 CO -0.06 -2.82 0.66 0.41 -2.00 0.00 0.00 174.74 170.93 1a8u n GLY 31 N -1.64 2.27 3.79 -1.38 0.00 -1.18 -2.90 105.19 104.15 1a8u n GLY 31 Ca 0.07 -2.26 -0.36 0.00 0.00 0.00 0.00 46.02 43.47 1a8u n GLY 31 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1a8u s PHE 32 N -2.69 3.35 -0.67 1.61 2.19 -1.26 -1.27 117.98 119.23 1a8u s PHE 32 Ca 0.50 1.67 0.00 0.00 0.33 0.00 0.00 56.93 59.43 1a8u s PHE 32 Cb -0.04 -3.06 0.40 0.00 -1.31 0.00 0.00 43.02 39.01 1a8u s PHE 32 CO 0.32 -0.42 1.78 -0.35 1.83 0.00 0.00 175.22 178.37 1a8u n PRO 33 N -0.01 2.95 0.00 10.12 -0.04 -1.26 -5.01 135.00 141.75 1a8u n PRO 33 Ca 0.05 -3.71 0.00 0.00 -0.04 0.00 0.00 63.50 59.80 1a8u n PRO 33 Cb 0.50 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 1a8u n PRO 33 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1a8u n LEU 34 N -0.64 0.00 -3.87 1.53 4.77 -0.40 -3.71 117.00 114.69 1a8u n LEU 34 Ca 0.53 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.40 1a8u n LEU 34 Cb 0.49 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.60 1a8u n LEU 34 CO 0.54 0.00 0.45 -0.94 -1.33 0.00 0.00 177.39 176.12 1a8u s SER 35 N -1.00 0.27 0.62 -1.43 1.04 -1.26 -3.81 113.70 108.13 1a8u s SER 35 Ca 0.00 -1.29 0.39 0.00 0.48 0.00 0.00 55.95 55.53 1a8u s SER 35 Cb 0.00 0.83 2.08 0.00 0.10 0.00 0.00 66.02 69.03 1a8u s SER 35 CO 0.00 -1.65 2.26 1.23 0.98 0.00 0.00 173.24 176.06 1a8u h GLY 36 N 2.01 0.00 2.00 7.32 0.00 -1.93 -1.36 103.07 111.11 1a8u h GLY 36 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1a8u h GLY 36 CO 0.42 0.00 0.00 0.45 0.00 0.00 0.00 176.54 177.41 1a8u h HIS 37 N 0.00 0.00 0.00 5.60 3.86 -1.95 -2.60 115.15 120.06 1a8u h HIS 37 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1a8u h HIS 37 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1a8u h HIS 37 CO 0.00 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 177.66 1a8u n SER 38 N -2.33 0.50 -0.63 2.45 3.41 -0.51 -1.82 113.62 114.70 1a8u n SER 38 Ca 0.01 0.63 0.04 0.00 -0.26 0.00 0.00 58.87 59.29 1a8u n SER 38 Cb 0.21 -0.73 0.14 0.00 -0.26 0.00 0.00 64.21 63.56 1a8u n SER 38 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1a8u n TRP 39 N -2.06 0.47 -0.21 7.33 7.02 -0.98 -4.61 117.44 124.40 1a8u n TRP 39 Ca 0.02 -0.21 0.18 0.00 -1.02 0.00 0.00 57.50 56.47 1a8u n TRP 39 Cb 0.21 -0.04 0.52 0.00 -2.42 0.00 0.00 31.31 29.58 1a8u n TRP 39 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 1a8u h GLU 40 N 1.71 0.38 -0.01 -0.99 4.11 -1.58 0.34 114.58 118.54 1a8u h GLU 40 Ca 0.00 -0.02 -0.14 0.00 0.07 0.00 0.00 59.36 59.27 1a8u h GLU 40 Cb 0.51 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1a8u h GLU 40 CO 0.03 0.25 -0.66 0.00 0.07 0.00 0.00 179.01 178.71 1a8u h ARG 41 N 0.40 0.03 0.15 1.06 3.08 -1.87 -1.46 114.38 115.77 1a8u h ARG 41 Ca 0.43 -0.02 -0.29 0.00 0.07 0.00 0.00 59.98 60.17 1a8u h ARG 41 Cb 1.08 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.14 1a8u h ARG 41 CO -0.15 0.68 -1.32 1.96 -1.07 0.00 0.00 179.97 180.06 1a8u h GLN 42 N 0.02 0.32 -0.75 0.04 7.50 -1.13 -2.99 115.11 118.12 1a8u h GLN 42 Ca -0.01 -0.55 -0.01 0.00 0.50 0.00 0.00 58.65 58.58 1a8u h GLN 42 Cb 1.17 0.21 -0.04 0.00 0.05 0.00 0.00 27.48 28.87 1a8u h GLN 42 CO 0.09 1.26 0.42 0.77 -1.50 0.00 0.00 178.83 179.86 1a8u h SER 43 N 0.09 0.93 -0.48 1.46 0.02 -0.42 0.13 113.55 115.29 1a8u h SER 43 Ca -0.17 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1a8u h SER 43 Cb 2.02 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 64.30 1a8u h SER 43 CO 0.21 0.76 0.28 0.00 -1.14 0.00 0.00 176.83 176.94 1a8u h ALA 44 N 1.21 0.61 -0.57 3.77 0.00 -1.33 -0.10 119.26 122.85 1a8u h ALA 44 Ca 0.26 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1a8u h ALA 44 Cb 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1a8u h ALA 44 CO -0.04 0.11 0.16 0.00 0.00 0.00 0.00 179.25 179.48 1a8u h ALA 45 N 1.12 0.74 -0.48 0.00 0.00 -1.27 -1.19 119.26 118.19 1a8u h ALA 45 Ca 0.17 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1a8u h ALA 45 Cb 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1a8u h ALA 45 CO -0.03 0.43 -0.03 -0.07 0.00 0.00 0.00 179.25 179.54 1a8u h LEU 46 N 0.80 0.86 -0.81 0.00 3.38 -0.47 -2.21 115.31 116.85 1a8u h LEU 46 Ca 0.18 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1a8u h LEU 46 Cb 0.31 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1a8u h LEU 46 CO -0.00 0.98 0.37 -0.07 0.09 0.00 0.00 178.44 179.80 1a8u h LEU 47 N 0.72 1.07 -2.20 1.67 3.38 -0.92 -1.81 115.31 117.22 1a8u h LEU 47 Ca 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1a8u h LEU 47 Cb 0.56 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1a8u h LEU 47 CO 0.03 0.92 -0.04 0.44 0.09 0.00 0.00 178.44 179.88 1a8u h ASP 48 N 1.15 0.00 -0.64 -0.43 3.32 -0.98 -1.73 116.42 117.10 1a8u h ASP 48 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1a8u h ASP 48 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1a8u h ASP 48 CO -0.03 0.04 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 1a8u n ALA 49 N -2.16 2.63 -0.95 3.45 0.00 -0.76 -4.97 120.51 117.74 1a8u n ALA 49 Ca -0.02 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 52.00 1a8u n ALA 49 Cb 0.19 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1a8u n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a8u n GLY 50 N 1.25 0.69 3.96 0.00 0.00 -0.65 -5.07 105.19 105.37 1a8u n GLY 50 Ca 0.23 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 1a8u n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a8u s TYR 51 N -2.00 3.42 -0.15 1.61 2.02 -0.75 -4.14 117.35 117.36 1a8u s TYR 51 Ca 0.00 0.14 -0.16 0.00 -0.37 0.00 0.00 57.07 56.68 1a8u s TYR 51 Cb 0.00 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.71 1a8u s TYR 51 CO 0.00 0.20 0.39 0.50 -1.57 0.00 0.00 175.55 175.08 1a8u s ARG 52 N -4.19 4.29 -0.18 -0.62 3.52 -0.64 -3.58 118.95 117.56 1a8u s ARG 52 Ca 0.39 0.28 -0.01 0.00 -0.13 0.00 0.00 55.73 56.25 1a8u s ARG 52 Cb -0.09 -3.44 -0.00 0.00 -1.56 0.00 0.00 34.95 29.85 1a8u s ARG 52 CO 0.33 0.16 -0.11 0.08 -0.81 0.00 0.00 175.30 174.95 1a8u s VAL 53 N 0.65 2.91 -0.12 7.11 1.01 0.77 -0.68 120.40 132.05 1a8u s VAL 53 Ca 0.21 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1a8u s VAL 53 Cb -0.14 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1a8u s VAL 53 CO 0.07 0.49 -0.15 -0.63 0.00 0.00 0.00 175.10 174.88 1a8u s ILE 54 N 1.06 2.92 0.08 2.22 1.01 -0.04 -0.96 121.20 127.49 1a8u s ILE 54 Ca -0.00 -0.72 0.05 0.00 0.00 0.00 0.00 60.65 59.98 1a8u s ILE 54 Cb -0.15 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 1a8u s ILE 54 CO -0.03 0.54 -0.14 0.42 0.00 0.00 0.00 174.94 175.73 1a8u s THR 55 N 0.22 1.16 0.10 2.92 -4.23 -0.81 -0.75 115.64 114.24 1a8u s THR 55 Ca -0.09 -1.42 -0.08 0.00 -1.18 0.00 0.00 61.69 58.91 1a8u s THR 55 Cb -0.16 -1.20 -0.01 0.00 1.34 0.00 0.00 72.50 72.48 1a8u s THR 55 CO 0.05 -0.28 0.19 -0.72 -0.54 0.00 0.00 174.62 173.32 1a8u s TYR 56 N -1.53 0.21 -0.23 3.99 1.13 -1.25 -1.19 117.35 118.48 1a8u s TYR 56 Ca 0.01 -0.64 -0.10 0.00 -1.41 0.00 0.00 57.07 54.93 1a8u s TYR 56 Cb -0.08 -0.08 -0.05 0.00 -1.10 0.00 0.00 41.96 40.64 1a8u s TYR 56 CO 0.02 -0.56 0.14 -0.51 -2.51 0.00 0.00 175.55 172.14 1a8u s ASP 57 N -2.88 6.02 0.63 -0.18 1.01 -0.12 -3.90 116.67 117.24 1a8u s ASP 57 Ca 0.07 0.11 -0.19 0.00 0.71 0.00 0.00 52.55 53.25 1a8u s ASP 57 Cb 0.05 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.89 1a8u s ASP 57 CO -0.09 0.09 1.30 -0.60 0.21 0.00 0.00 175.17 176.08 1a8u s ARG 58 N 0.91 2.63 0.19 8.23 3.52 -1.26 -4.39 118.95 128.78 1a8u s ARG 58 Ca 0.07 2.09 -0.32 0.00 -0.13 0.00 0.00 55.73 57.44 1a8u s ARG 58 Cb -0.13 -1.90 -0.15 0.00 -1.56 0.00 0.00 34.95 31.21 1a8u s ARG 58 CO 0.03 -1.54 1.20 2.89 -0.81 0.00 0.00 175.30 177.07 1a8u n ARG 59 N -1.78 1.35 -0.49 5.12 1.85 -1.26 -1.03 116.66 120.42 1a8u n ARG 59 Ca 0.15 0.48 0.00 0.00 -1.00 0.00 0.00 57.85 57.48 1a8u n ARG 59 Cb 0.48 -2.00 0.00 0.00 -1.05 0.00 0.00 32.46 29.89 1a8u n ARG 59 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1a8u n GLY 60 N 1.99 1.22 3.32 2.89 0.00 0.09 -4.98 105.19 109.72 1a8u n GLY 60 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 1a8u n GLY 60 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a8u s PHE 61 N -3.18 1.66 0.00 1.61 0.08 -0.20 -0.23 117.98 117.72 1a8u s PHE 61 Ca 0.00 -0.55 0.00 0.00 0.12 0.00 0.00 56.93 56.50 1a8u s PHE 61 Cb 0.00 -0.81 0.00 0.00 -0.57 0.00 0.00 43.02 41.64 1a8u s PHE 61 CO 0.00 0.29 0.00 0.41 -0.10 0.00 0.00 175.22 175.82 1a8u n GLY 62 N 0.02 3.51 1.23 4.36 0.00 -1.25 -1.66 105.19 111.41 1a8u n GLY 62 Ca -0.11 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1a8u n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a8u n GLN 63 N 14.00 2.57 -1.81 1.61 6.02 -1.26 -4.59 117.38 133.91 1a8u n GLN 63 Ca 0.00 -2.41 -0.30 0.00 -0.01 0.00 0.00 57.00 54.28 1a8u n GLN 63 Cb 0.00 -1.53 0.06 0.00 1.02 0.00 0.00 30.24 29.78 1a8u n GLN 63 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1a8u s SER 64 N -1.21 5.19 0.90 1.08 0.01 -0.66 -4.45 113.70 114.56 1a8u s SER 64 Ca 0.44 1.15 -0.12 0.00 1.31 0.00 0.00 55.95 58.73 1a8u s SER 64 Cb 0.24 -1.92 0.08 0.00 0.21 0.00 0.00 66.02 64.63 1a8u s SER 64 CO 0.32 -1.51 0.79 -1.20 0.41 0.00 0.00 173.24 172.06 1a8u n SER 65 N -3.12 -0.72 -3.14 2.44 7.64 -0.10 -4.55 113.62 112.08 1a8u n SER 65 Ca 0.07 0.42 -0.27 0.00 1.01 0.00 0.00 58.87 60.10 1a8u n SER 65 Cb 0.57 -1.35 -0.06 0.00 -1.01 0.00 0.00 64.21 62.37 1a8u n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a8u n GLN 66 N -2.78 2.94 -0.88 1.43 6.02 -1.26 -0.73 117.38 122.12 1a8u n GLN 66 Ca 0.10 -4.78 -0.30 0.00 -0.01 0.00 0.00 57.00 52.01 1a8u n GLN 66 Cb 0.52 -2.24 0.17 0.00 1.02 0.00 0.00 30.24 29.71 1a8u n GLN 66 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1a8u s PRO 67 N -3.06 0.70 -0.28 -1.09 0.04 -1.26 -4.93 135.00 125.12 1a8u s PRO 67 Ca 0.45 1.08 0.11 0.00 0.04 0.00 0.00 61.00 62.68 1a8u s PRO 67 Cb 0.23 -1.72 0.60 0.00 0.04 0.00 0.00 34.50 33.64 1a8u s PRO 67 CO -0.09 -2.70 1.58 0.25 0.04 0.00 0.00 177.00 176.09 1a8u n THR 68 N -4.23 2.63 -3.92 1.26 -2.24 -1.26 -4.58 114.28 101.93 1a8u n THR 68 Ca 0.08 -2.09 -0.09 0.00 -2.27 0.00 0.00 64.05 59.67 1a8u n THR 68 Cb 0.54 -0.32 -0.09 0.00 -2.10 0.00 0.00 70.33 68.35 1a8u n THR 68 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1a8u s THR 69 N -3.05 0.13 0.00 4.28 -4.23 -1.26 -4.97 115.64 106.55 1a8u s THR 69 Ca 0.48 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 1a8u s THR 69 Cb 0.40 -0.92 0.00 0.00 1.34 0.00 0.00 72.50 73.32 1a8u s THR 69 CO 0.07 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.16 1a8u n GLY 70 N 0.73 0.73 3.45 3.99 0.00 -1.26 -4.99 105.19 107.84 1a8u n GLY 70 Ca -0.19 -0.34 -0.44 0.00 0.00 0.00 0.00 46.02 45.05 1a8u n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a8u s TYR 71 N -2.00 3.31 -0.10 1.61 2.02 -1.26 -4.38 117.35 116.54 1a8u s TYR 71 Ca 0.00 -1.75 -0.30 0.00 -0.37 0.00 0.00 57.07 54.65 1a8u s TYR 71 Cb 0.00 -4.29 0.11 0.00 -0.40 0.00 0.00 41.96 37.38 1a8u s TYR 71 CO 0.00 -1.44 0.89 0.16 -1.57 0.00 0.00 175.55 173.60 1a8u s ASP 72 N 3.23 -0.45 0.47 2.29 1.47 -1.26 -4.78 116.67 117.65 1a8u s ASP 72 Ca 0.37 0.42 0.25 0.00 1.18 0.00 0.00 52.55 54.77 1a8u s ASP 72 Cb -0.04 0.38 1.15 0.00 -0.34 0.00 0.00 42.92 44.07 1a8u s ASP 72 CO -0.05 -0.46 1.94 1.88 0.68 0.00 0.00 175.17 179.15 1a8u h TYR 73 N 2.59 0.00 -0.51 2.11 0.05 -1.92 -0.41 116.97 118.88 1a8u h TYR 73 Ca -0.21 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.52 1a8u h TYR 73 Cb 1.17 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.89 1a8u h TYR 73 CO 0.31 0.20 0.14 -0.44 -1.05 0.00 0.00 178.16 177.31 1a8u h ASP 74 N 0.00 0.75 -0.32 3.88 3.32 -1.97 0.06 116.42 122.15 1a8u h ASP 74 Ca -0.00 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.73 1a8u h ASP 74 Cb 0.56 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1a8u h ASP 74 CO 0.03 0.78 -0.17 0.74 -1.72 0.00 0.00 179.24 178.89 1a8u h THR 75 N 0.69 1.29 -0.70 0.35 2.02 -1.70 -0.66 112.91 114.21 1a8u h THR 75 Ca 0.16 -1.28 0.02 0.00 0.77 0.00 0.00 66.41 66.07 1a8u h THR 75 Cb 0.31 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 1a8u h THR 75 CO -0.00 0.41 0.46 -0.26 0.37 0.00 0.00 175.52 176.50 1a8u h PHE 76 N 0.44 0.85 -0.02 3.16 0.04 -0.96 0.34 116.94 120.79 1a8u h PHE 76 Ca 0.07 0.02 -0.17 0.00 2.80 0.00 0.00 57.97 60.69 1a8u h PHE 76 Cb 0.70 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1a8u h PHE 76 CO 0.06 0.53 -0.75 0.00 -0.60 0.00 0.00 178.31 177.54 1a8u h ALA 77 N 1.58 0.69 -0.19 2.45 0.00 -0.85 -2.12 119.26 120.81 1a8u h ALA 77 Ca 0.26 -0.65 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1a8u h ALA 77 Cb -0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1a8u h ALA 77 CO -0.06 0.85 -0.36 0.00 0.00 0.00 0.00 179.25 179.68 1a8u h ALA 78 N 1.11 1.03 -0.37 0.00 0.00 -0.42 0.12 119.26 120.73 1a8u h ALA 78 Ca -0.02 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1a8u h ALA 78 Cb 1.33 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1a8u h ALA 78 CO 0.11 0.59 0.11 -0.44 0.00 0.00 0.00 179.25 179.62 1a8u h ASP 79 N 0.35 0.55 -0.71 0.00 3.32 -0.80 -0.60 116.42 118.54 1a8u h ASP 79 Ca 0.04 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.82 1a8u h ASP 79 Cb 0.79 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 1a8u h ASP 79 CO 0.06 0.62 0.22 0.25 -1.72 0.00 0.00 179.24 178.68 1a8u h LEU 80 N 0.46 1.03 -0.51 1.55 5.85 -1.10 -1.43 115.31 121.15 1a8u h LEU 80 Ca 0.12 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.69 1a8u h LEU 80 Cb 0.28 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1a8u h LEU 80 CO -0.00 0.96 0.21 -1.13 -0.34 0.00 0.00 178.44 178.14 1a8u h ASN 81 N 1.04 0.25 -0.77 1.25 -1.24 -0.41 -0.24 115.58 115.46 1a8u h ASN 81 Ca 0.23 0.05 0.02 0.00 0.71 0.00 0.00 56.30 57.30 1a8u h ASN 81 Cb 0.30 0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.32 1a8u h ASN 81 CO -0.01 0.17 0.50 0.74 -1.29 0.00 0.00 177.43 177.55 1a8u h THR 82 N 0.41 1.16 -0.18 -3.57 2.02 -0.60 -0.11 112.91 112.04 1a8u h THR 82 Ca 0.24 -0.34 0.02 0.00 0.77 0.00 0.00 66.41 67.09 1a8u h THR 82 Cb 0.22 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 1a8u h THR 82 CO -0.21 0.18 0.05 0.58 0.37 0.00 0.00 175.52 176.49 1a8u h VAL 83 N 1.00 0.94 -0.34 3.16 2.07 -0.47 0.16 116.25 122.78 1a8u h VAL 83 Ca 0.29 -0.05 -0.12 0.00 0.82 0.00 0.00 66.70 67.64 1a8u h VAL 83 Cb -0.07 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1a8u h VAL 83 CO -0.08 0.02 -0.28 -0.07 0.02 0.00 0.00 177.57 177.18 1a8u h LEU 84 N 0.13 0.72 -0.37 2.57 3.38 -0.72 -1.65 115.31 119.38 1a8u h LEU 84 Ca 0.08 -0.28 -0.17 0.00 0.09 0.00 0.00 57.88 57.60 1a8u h LEU 84 Cb 0.06 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1a8u h LEU 84 CO -0.09 0.97 -0.45 -0.33 0.09 0.00 0.00 178.44 178.63 1a8u h GLU 85 N 0.60 0.90 -0.66 1.13 4.39 -0.91 -0.74 114.58 119.30 1a8u h GLU 85 Ca 0.07 -0.51 -0.01 0.00 0.34 0.00 0.00 59.36 59.26 1a8u h GLU 85 Cb 0.79 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.44 1a8u h GLU 85 CO 0.06 1.15 0.37 1.15 -1.16 0.00 0.00 179.01 180.59 1a8u h THR 86 N 0.72 1.20 0.00 1.13 2.02 -0.74 -2.48 112.91 114.76 1a8u h THR 86 Ca 0.04 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1a8u h THR 86 Cb 1.04 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1a8u h THR 86 CO 0.10 0.22 -0.01 0.18 0.37 0.00 0.00 175.52 176.38 1a8u n LEU 87 N -4.54 0.47 -3.78 2.58 4.77 -0.64 -4.94 117.00 110.92 1a8u n LEU 87 Ca 0.05 0.54 -0.23 0.00 -0.03 0.00 0.00 56.01 56.34 1a8u n LEU 87 Cb 0.08 -0.39 0.02 0.00 -2.33 0.00 0.00 43.42 40.79 1a8u n LEU 87 CO 0.37 -0.10 -0.11 -0.67 -1.33 0.00 0.00 177.39 175.55 1a8u n ASP 88 N -1.94 -1.09 -4.79 -1.43 2.03 -0.32 -4.92 116.55 104.09 1a8u n ASP 88 Ca 0.06 -0.87 -0.35 0.00 0.52 0.00 0.00 54.79 54.15 1a8u n ASP 88 Cb 0.39 -3.77 -0.05 0.00 -0.72 0.00 0.00 41.12 36.97 1a8u n ASP 88 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1a8u s LEU 89 N -6.78 4.08 0.06 -2.67 1.43 -1.01 -5.06 118.68 108.74 1a8u s LEU 89 Ca 0.04 1.89 0.03 0.00 -1.03 0.00 0.00 54.13 55.05 1a8u s LEU 89 Cb -0.02 -4.30 -0.03 0.00 0.03 0.00 0.00 46.19 41.87 1a8u s LEU 89 CO 0.83 -0.42 -0.08 -1.10 0.23 0.00 0.00 176.35 175.81 1a8u s GLN 90 N -2.70 0.64 -1.56 1.70 -1.52 -1.26 -4.74 119.66 110.22 1a8u s GLN 90 Ca 0.59 -0.92 -0.14 0.00 -1.95 0.00 0.00 55.36 52.94 1a8u s GLN 90 Cb -0.17 -0.35 0.10 0.00 -0.22 0.00 0.00 33.01 32.37 1a8u s GLN 90 CO 0.22 0.05 0.91 -0.25 -0.25 0.00 0.00 175.29 175.97 1a8u n ASP 91 N 1.09 -4.15 -4.88 5.90 8.00 -0.99 -4.69 116.55 116.83 1a8u n ASP 91 Ca -0.20 -0.84 -0.30 0.00 0.71 0.00 0.00 54.79 54.16 1a8u n ASP 91 Cb 0.56 -3.59 -0.03 0.00 -0.02 0.00 0.00 41.12 38.04 1a8u n ASP 91 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a8u s ALA 92 N -3.34 3.37 -0.15 2.24 0.00 -0.19 -4.45 121.76 119.23 1a8u s ALA 92 Ca 0.63 -0.27 -0.04 0.00 0.00 0.00 0.00 51.96 52.29 1a8u s ALA 92 Cb -0.33 -2.67 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 1a8u s ALA 92 CO 0.86 -0.06 -0.03 0.08 0.00 0.00 0.00 175.76 176.61 1a8u s VAL 93 N -2.42 3.99 -0.23 0.00 1.01 -0.11 -0.04 120.40 122.60 1a8u s VAL 93 Ca 0.50 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 1a8u s VAL 93 Cb -0.10 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1a8u s VAL 93 CO 0.34 0.50 0.04 -0.76 0.00 0.00 0.00 175.10 175.22 1a8u s LEU 94 N 0.29 3.40 -0.21 3.92 1.43 -0.70 -0.27 118.68 126.54 1a8u s LEU 94 Ca -0.03 -0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1a8u s LEU 94 Cb -0.14 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.21 1a8u s LEU 94 CO 0.03 0.02 -0.14 -0.69 0.23 0.00 0.00 176.35 175.79 1a8u s VAL 95 N 1.31 2.47 0.07 -1.59 1.01 0.55 -0.49 120.40 123.72 1a8u s VAL 95 Ca 0.05 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.15 1a8u s VAL 95 Cb -0.15 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1a8u s VAL 95 CO 0.03 0.42 0.02 -0.83 0.00 0.00 0.00 175.10 174.73 1a8u s GLY 96 N 1.32 1.94 -0.17 4.51 0.00 -0.19 -0.72 107.32 114.00 1a8u s GLY 96 Ca 0.03 -1.06 0.01 0.00 0.00 0.00 0.00 44.72 43.70 1a8u s GLY 96 CO -0.09 -1.02 -0.19 -0.12 0.00 0.00 0.00 173.10 171.68 1a8u s PHE 97 N -1.29 2.76 0.00 1.90 5.36 -0.41 -0.89 117.98 125.40 1a8u s PHE 97 Ca 0.25 -1.41 0.00 0.00 -0.96 0.00 0.00 56.93 54.82 1a8u s PHE 97 Cb -0.12 -1.90 0.00 0.00 -0.34 0.00 0.00 43.02 40.67 1a8u s PHE 97 CO 0.18 -0.68 0.00 0.45 -1.46 0.00 0.00 175.22 173.71 1a8u n SER 98 N 4.37 0.00 -0.26 6.13 2.88 0.22 -0.69 113.62 126.27 1a8u n SER 98 Ca -0.20 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.50 1a8u n SER 98 Cb 0.51 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.42 1a8u n SER 98 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1a8u h MET 99 N 0.00 0.51 0.00 -1.46 2.86 -1.85 0.65 114.93 115.64 1a8u h MET 99 Ca 0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1a8u h MET 99 Cb 0.00 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.54 1a8u h MET 99 CO 0.00 0.34 -0.04 0.78 1.06 0.00 0.00 176.91 179.05 1a8u h GLY 100 N 0.52 0.00 2.00 8.32 0.00 -0.77 -0.91 103.07 112.23 1a8u h GLY 100 Ca 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 1a8u h GLY 100 CO -0.21 0.00 -0.05 -0.91 0.00 0.00 0.00 176.54 175.38 1a8u h THR 101 N 0.00 0.25 -0.14 4.70 1.35 -1.01 -2.28 112.91 115.77 1a8u h THR 101 Ca -0.00 -0.33 -0.19 0.00 -0.55 0.00 0.00 66.41 65.34 1a8u h THR 101 Cb 0.09 1.26 0.01 0.00 -1.73 0.00 0.00 68.15 67.78 1a8u h THR 101 CO 0.00 0.05 -0.66 1.23 -0.25 0.00 0.00 175.52 175.89 1a8u h GLY 102 N 0.82 0.77 0.95 5.82 0.00 -1.26 -2.64 103.07 107.53 1a8u h GLY 102 Ca -0.00 -1.07 0.02 0.00 0.00 0.00 0.00 47.33 46.27 1a8u h GLY 102 CO 0.01 0.96 0.46 0.83 0.00 0.00 0.00 176.54 178.79 1a8u h GLU 103 N 0.38 0.90 0.11 4.80 3.07 -1.51 -0.47 114.58 121.86 1a8u h GLU 103 Ca -0.04 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.76 1a8u h GLU 103 Cb 1.30 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1a8u h GLU 103 CO 0.14 0.59 -0.05 0.28 -1.40 0.00 0.00 179.01 178.57 1a8u h VAL 104 N 0.92 0.94 -0.28 3.13 2.07 -1.41 0.49 116.25 122.11 1a8u h VAL 104 Ca 0.27 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 1a8u h VAL 104 Cb -0.05 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1a8u h VAL 104 CO -0.08 0.04 0.04 0.00 0.02 0.00 0.00 177.57 177.60 1a8u h ALA 105 N 0.66 0.37 -0.38 1.67 0.00 -1.33 -2.00 119.26 118.25 1a8u h ALA 105 Ca -0.02 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1a8u h ALA 105 Cb 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1a8u h ALA 105 CO 0.02 0.06 -0.29 -0.09 0.00 0.00 0.00 179.25 178.96 1a8u h ARG 106 N 0.28 0.82 -0.19 0.00 9.65 -1.06 -1.11 114.38 122.77 1a8u h ARG 106 Ca 0.08 -0.37 -0.01 0.00 -1.10 0.00 0.00 59.98 58.59 1a8u h ARG 106 Cb 0.34 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 1a8u h ARG 106 CO 0.01 1.00 0.09 -0.92 2.80 0.00 0.00 179.97 182.94 1a8u h TYR 107 N 0.70 0.28 -0.79 2.20 3.20 -0.88 0.04 116.97 121.72 1a8u h TYR 107 Ca 0.08 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 1a8u h TYR 107 Cb 0.83 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.98 1a8u h TYR 107 CO 0.05 0.31 0.32 0.28 -1.64 0.00 0.00 178.16 177.48 1a8u h VAL 108 N 0.17 1.26 -0.24 1.81 2.07 -1.27 0.24 116.25 120.29 1a8u h VAL 108 Ca 0.07 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1a8u h VAL 108 Cb 0.14 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1a8u h VAL 108 CO -0.01 0.33 0.14 -1.28 0.02 0.00 0.00 177.57 176.77 1a8u h SER 109 N 1.14 0.30 0.60 0.57 0.87 -1.01 -0.52 113.55 115.50 1a8u h SER 109 Ca 0.26 -0.07 -0.28 0.00 -1.23 0.00 0.00 61.79 60.48 1a8u h SER 109 Cb 0.20 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1a8u h SER 109 CO -0.02 0.28 -1.45 0.28 -0.53 0.00 0.00 176.83 175.38 1a8u h SER 110 N 0.29 0.17 0.00 6.23 0.02 -0.76 -3.40 113.55 116.12 1a8u h SER 110 Ca 0.09 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1a8u h SER 110 Cb 0.04 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1a8u h SER 110 CO -0.02 1.21 -0.41 -1.22 -1.14 0.00 0.00 176.83 175.26 1a8u n TYR 111 N -3.31 0.00 -0.56 3.45 4.01 0.84 -5.09 117.16 116.50 1a8u n TYR 111 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1a8u n TYR 111 Cb 1.02 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.03 1a8u n TYR 111 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a8u n GLY 112 N 1.24 -2.48 0.64 2.72 0.00 -0.20 -4.72 105.19 102.39 1a8u n GLY 112 Ca 0.01 -1.60 0.05 0.00 0.00 0.00 0.00 46.02 44.48 1a8u n GLY 112 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a8u n THR 113 N -0.72 2.23 0.19 2.61 -2.24 -1.26 -4.57 114.28 110.52 1a8u n THR 113 Ca 0.00 -3.13 0.08 0.00 -2.27 0.00 0.00 64.05 58.73 1a8u n THR 113 Cb 0.00 -0.25 0.59 0.00 -2.10 0.00 0.00 70.33 68.57 1a8u n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a8u h ALA 114 N 0.95 1.95 -0.20 6.98 0.00 -1.99 -0.96 119.26 125.99 1a8u h ALA 114 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1a8u h ALA 114 Cb 1.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1a8u h ALA 114 CO 0.05 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.88 1a8u n ARG 115 N -4.52 2.17 -4.78 0.00 1.74 -1.26 -4.74 116.66 105.27 1a8u n ARG 115 Ca -0.01 -1.75 -0.33 0.00 -0.77 0.00 0.00 57.85 55.00 1a8u n ARG 115 Cb 0.10 -1.47 -0.15 0.00 -1.02 0.00 0.00 32.46 29.92 1a8u n ARG 115 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1a8u s ILE 116 N -1.76 2.75 -0.17 0.55 -1.09 -0.37 -1.02 121.20 120.09 1a8u s ILE 116 Ca 0.34 -0.76 0.17 0.00 -2.23 0.00 0.00 60.65 58.17 1a8u s ILE 116 Cb 0.21 -2.14 -0.25 0.00 -1.58 0.00 0.00 42.46 38.70 1a8u s ILE 116 CO 0.30 0.53 0.19 0.00 -1.23 0.00 0.00 174.94 174.73 1a8u n ALA 117 N 3.69 1.51 -3.30 9.38 0.00 0.95 -4.80 120.51 127.94 1a8u n ALA 117 Ca -0.19 -1.22 -0.14 0.00 0.00 0.00 0.00 53.44 51.90 1a8u n ALA 117 Cb 0.52 -0.32 -0.06 0.00 0.00 0.00 0.00 19.45 19.60 1a8u n ALA 117 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1a8u s LYS 118 N -2.52 0.99 0.07 0.00 1.02 -1.19 -4.12 119.74 114.00 1a8u s LYS 118 Ca -0.09 -0.21 0.05 0.00 0.02 0.00 0.00 55.97 55.75 1a8u s LYS 118 Cb 0.06 0.45 -0.03 0.00 -0.52 0.00 0.00 37.83 37.80 1a8u s LYS 118 CO 0.83 -0.35 -0.15 0.14 -0.92 0.00 0.00 175.35 174.90 1a8u s VAL 119 N -2.25 1.18 -0.02 3.17 -7.23 -0.26 -1.71 120.40 113.29 1a8u s VAL 119 Ca -0.06 -1.32 0.02 0.00 -1.81 0.00 0.00 61.98 58.80 1a8u s VAL 119 Cb -0.01 -1.12 0.00 0.00 0.56 0.00 0.00 36.38 35.81 1a8u s VAL 119 CO -0.00 -0.20 -0.06 0.00 -0.31 0.00 0.00 175.10 174.53 1a8u s ALA 120 N -1.25 0.58 -0.25 1.32 0.00 0.35 -1.81 121.76 120.70 1a8u s ALA 120 Ca -0.01 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.76 1a8u s ALA 120 Cb -0.10 -0.21 0.05 0.00 0.00 0.00 0.00 23.12 22.86 1a8u s ALA 120 CO 0.02 0.10 -0.11 -0.06 0.00 0.00 0.00 175.76 175.71 1a8u s PHE 121 N 0.13 3.09 -0.15 0.00 0.08 0.71 -1.03 117.98 120.81 1a8u s PHE 121 Ca -0.01 -2.16 -0.01 0.00 0.12 0.00 0.00 56.93 54.87 1a8u s PHE 121 Cb -0.06 -1.88 -0.01 0.00 -0.57 0.00 0.00 43.02 40.50 1a8u s PHE 121 CO -0.00 -0.86 -0.11 -0.51 -0.10 0.00 0.00 175.22 173.64 1a8u s LEU 122 N 1.16 2.77 -1.23 -0.37 1.43 -0.07 -0.98 118.68 121.40 1a8u s LEU 122 Ca -0.07 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 52.63 1a8u s LEU 122 Cb -0.19 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 1a8u s LEU 122 CO -0.06 0.13 0.74 0.00 0.23 0.00 0.00 176.35 177.38 1a8u n ALA 123 N 3.78 -2.25 -1.54 4.21 0.00 -0.12 -0.61 120.51 123.98 1a8u n ALA 123 Ca -0.18 -0.15 -0.33 0.00 0.00 0.00 0.00 53.44 52.77 1a8u n ALA 123 Cb 0.52 -3.13 0.04 0.00 0.00 0.00 0.00 19.45 16.89 1a8u n ALA 123 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1a8u s SER 124 N -3.95 5.12 0.03 0.00 0.01 -1.26 -2.63 113.70 111.02 1a8u s SER 124 Ca 0.21 2.06 -0.03 0.00 1.31 0.00 0.00 55.95 59.50 1a8u s SER 124 Cb -0.06 -2.56 -0.28 0.00 0.21 0.00 0.00 66.02 63.33 1a8u s SER 124 CO 0.82 -1.62 0.94 -0.07 0.41 0.00 0.00 173.24 173.72 1a8u h LEU 125 N 0.18 0.38-10.13 2.44 3.38 -1.90 -3.42 115.31 106.23 1a8u h LEU 125 Ca -0.47 -0.49 -0.54 0.00 0.09 0.00 0.00 57.88 56.46 1a8u h LEU 125 Cb 1.25 -0.12 0.18 0.00 0.09 0.00 0.00 40.66 42.06 1a8u h LEU 125 CO 0.54 1.40 0.28 -0.62 0.09 0.00 0.00 178.44 180.14 1a8u n GLU 126 N -3.46 0.32 0.03 1.13 4.71 -1.26 -3.88 120.64 118.23 1a8u n GLU 126 Ca -0.14 0.18 -0.05 0.00 -0.01 0.00 0.00 57.16 57.15 1a8u n GLU 126 Cb 1.04 -2.39 -0.10 0.00 -1.01 0.00 0.00 31.44 28.98 1a8u n GLU 126 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1a8u h PRO 127 N -0.67 0.00 -0.30 3.49 0.11 -1.79 -3.38 132.00 129.47 1a8u h PRO 127 Ca -0.47 0.00 0.25 0.00 0.11 0.00 0.00 66.00 65.89 1a8u h PRO 127 Cb 1.31 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.20 1a8u h PRO 127 CO 0.46 0.57 0.20 0.12 -0.21 0.00 0.00 178.00 179.14 1a8u s PHE 128 N -2.76 -0.43 -0.17 0.65 5.36 -1.25 -0.77 117.98 118.61 1a8u s PHE 128 Ca -0.02 0.49 0.29 0.00 -0.96 0.00 0.00 56.93 56.73 1a8u s PHE 128 Cb 0.09 0.16 0.97 0.00 -0.34 0.00 0.00 43.02 43.89 1a8u s PHE 128 CO 0.81 -0.23 1.83 -0.07 -1.46 0.00 0.00 175.22 176.10 1a8u h LEU 129 N 7.91 0.00 -9.59 6.12 3.38 -1.77 -3.39 115.31 117.96 1a8u h LEU 129 Ca -0.13 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.32 1a8u h LEU 129 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1a8u h LEU 129 CO -0.10 0.00 0.49 -0.76 0.09 0.00 0.00 178.44 178.15 1a8u s LEU 130 N -5.95 4.45 -0.51 1.67 1.43 -1.26 -0.38 118.68 118.13 1a8u s LEU 130 Ca 0.04 2.03 -0.25 0.00 -1.03 0.00 0.00 54.13 54.92 1a8u s LEU 130 Cb 0.08 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.74 1a8u s LEU 130 CO 0.57 -0.28 0.96 -0.75 0.23 0.00 0.00 176.35 177.08 1a8u s LYS 131 N 0.11 3.45 0.35 1.70 2.20 -0.10 -4.09 119.74 123.35 1a8u s LYS 131 Ca 0.52 -0.01 0.05 0.00 -0.36 0.00 0.00 55.97 56.17 1a8u s LYS 131 Cb -0.29 -3.99 -0.03 0.00 -1.51 0.00 0.00 37.83 32.02 1a8u s LYS 131 CO 0.33 -1.38 0.19 0.95 -0.36 0.00 0.00 175.35 175.08 1a8u s THR 132 N 3.95 0.30 0.26 3.43 -4.23 -0.88 -4.43 115.64 114.04 1a8u s THR 132 Ca 0.35 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.82 1a8u s THR 132 Cb -0.11 -2.45 0.18 0.00 1.34 0.00 0.00 72.50 71.46 1a8u s THR 132 CO 0.23 0.00 1.84 0.44 -0.54 0.00 0.00 174.62 176.59 1a8u h ASP 133 N 2.04 0.93 1.09 3.99 3.32 -2.00 -2.09 116.42 123.71 1a8u h ASP 133 Ca -0.31 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1a8u h ASP 133 Cb 1.25 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.56 1a8u h ASP 133 CO 0.48 0.83 -0.21 -0.67 -1.72 0.00 0.00 179.24 177.95 1a8u n ASP 134 N -4.30 0.54 -3.32 6.45 -0.08 -1.26 -4.29 116.55 110.28 1a8u n ASP 134 Ca 0.06 0.35 -0.25 0.00 -1.51 0.00 0.00 54.79 53.44 1a8u n ASP 134 Cb 0.17 -0.37 -0.08 0.00 2.34 0.00 0.00 41.12 43.18 1a8u n ASP 134 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1a8u n ASN 135 N -1.94 1.21 0.24 1.67 5.15 -0.81 -4.94 115.26 115.84 1a8u n ASN 135 Ca 0.05 -2.88 0.16 0.00 -0.60 0.00 0.00 54.58 51.32 1a8u n ASN 135 Cb 0.40 -0.64 0.79 0.00 -0.53 0.00 0.00 39.78 39.79 1a8u n ASN 135 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1a8u h PRO 136 N 4.35 0.00 -0.00 1.20 0.13 -1.68 -2.23 132.00 133.77 1a8u h PRO 136 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1a8u h PRO 136 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1a8u h PRO 136 CO 0.56 0.00 -0.00 -0.25 -0.23 0.00 0.00 178.00 178.08 1a8u n ASP 137 N -2.68 0.03 -4.70 1.44 8.00 -1.26 -4.87 116.55 112.52 1a8u n ASP 137 Ca -0.01 -0.53 -0.33 0.00 0.71 0.00 0.00 54.79 54.63 1a8u n ASP 137 Cb 0.14 -0.16 0.13 0.00 -0.02 0.00 0.00 41.12 41.21 1a8u n ASP 137 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1a8u s GLY 138 N -2.32 2.14 0.13 0.44 0.00 -0.93 -4.58 107.32 102.19 1a8u s GLY 138 Ca 0.37 0.84 -0.05 0.00 0.00 0.00 0.00 44.72 45.88 1a8u s GLY 138 CO 0.42 1.26 1.30 0.00 0.00 0.00 0.00 173.10 176.08 1a8u h ALA 139 N -0.95 0.35 -2.31 3.20 0.00 -0.95 -3.40 119.26 115.21 1a8u h ALA 139 Ca -0.46 -0.71 0.03 0.00 0.00 0.00 0.00 54.91 53.77 1a8u h ALA 139 Cb 1.30 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.90 1a8u h ALA 139 CO 0.46 0.81 0.35 0.00 0.00 0.00 0.00 179.25 180.87 1a8u s ALA 140 N -3.27 -1.76 0.85 0.00 0.00 -1.10 -4.91 121.76 111.57 1a8u s ALA 140 Ca -0.06 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.81 1a8u s ALA 140 Cb 0.09 0.27 0.11 0.00 0.00 0.00 0.00 23.12 23.59 1a8u s ALA 140 CO 0.87 -0.58 1.16 -2.14 0.00 0.00 0.00 175.76 175.07 1a8u s PRO 141 N -2.54 1.43 0.44 0.00 0.02 -1.26 -0.93 135.00 132.16 1a8u s PRO 141 Ca -0.01 1.57 0.11 0.00 0.02 0.00 0.00 61.00 62.69 1a8u s PRO 141 Cb -0.01 -1.77 0.99 0.00 0.02 0.00 0.00 34.50 33.73 1a8u s PRO 141 CO -0.04 -2.33 2.05 -0.22 -0.33 0.00 0.00 177.00 176.12 1a8u h LYS 142 N -1.40 0.40 -0.22 5.54 3.64 -1.95 -1.23 116.57 121.35 1a8u h LYS 142 Ca -0.44 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 58.98 1a8u h LYS 142 Cb 1.27 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1a8u h LYS 142 CO 0.45 0.26 0.19 0.93 -2.27 0.00 0.00 179.45 179.00 1a8u h GLU 143 N 0.41 0.00 -0.40 1.90 3.07 -1.99 0.33 114.58 117.91 1a8u h GLU 143 Ca 0.17 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.99 1a8u h GLU 143 Cb 0.16 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 1a8u h GLU 143 CO -0.04 0.00 0.11 0.35 -1.40 0.00 0.00 179.01 178.03 1a8u h PHE 144 N 0.00 0.66 -0.08 4.33 3.57 -1.57 -1.56 116.94 122.29 1a8u h PHE 144 Ca 0.10 -0.07 -0.14 0.00 3.53 0.00 0.00 57.97 61.39 1a8u h PHE 144 Cb 0.47 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1a8u h PHE 144 CO 0.00 0.62 -0.58 0.74 -2.23 0.00 0.00 178.31 176.86 1a8u h PHE 145 N 0.50 0.32 -0.62 0.41 0.04 -1.20 -2.40 116.94 113.99 1a8u h PHE 145 Ca 0.13 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 60.78 1a8u h PHE 145 Cb 0.29 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 1a8u h PHE 145 CO 0.01 0.77 0.41 -0.44 -0.60 0.00 0.00 178.31 178.47 1a8u h ASP 146 N 0.19 0.71 0.30 2.17 3.32 -0.77 -1.17 116.42 121.16 1a8u h ASP 146 Ca -0.00 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 1a8u h ASP 146 Cb 1.08 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 1a8u h ASP 146 CO 0.09 0.51 -0.41 1.23 -1.72 0.00 0.00 179.24 178.94 1a8u h GLY 147 N 0.83 0.16 0.85 2.75 0.00 -0.80 -1.30 103.07 105.56 1a8u h GLY 147 Ca 0.23 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 1a8u h GLY 147 CO -0.05 0.13 -0.08 -2.22 0.00 0.00 0.00 176.54 174.32 1a8u h ILE 148 N 0.12 1.29 -0.55 2.60 2.04 -0.89 -1.17 117.51 120.95 1a8u h ILE 148 Ca 0.01 -1.12 0.04 0.00 1.00 0.00 0.00 64.86 64.79 1a8u h ILE 148 Cb 0.78 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 1a8u h ILE 148 CO 0.06 0.35 0.31 0.58 0.00 0.00 0.00 178.15 179.45 1a8u h VAL 149 N 0.24 1.00 -0.54 1.67 2.07 -1.16 -1.00 116.25 118.54 1a8u h VAL 149 Ca 0.06 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1a8u h VAL 149 Cb 0.56 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1a8u h VAL 149 CO 0.03 0.11 0.24 0.00 0.02 0.00 0.00 177.57 177.97 1a8u h ALA 150 N 1.27 1.42 -0.20 1.67 0.00 -1.10 -1.50 119.26 120.82 1a8u h ALA 150 Ca 0.24 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1a8u h ALA 150 Cb 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1a8u h ALA 150 CO -0.14 0.45 -0.39 0.00 0.00 0.00 0.00 179.25 179.18 1a8u h ALA 151 N 1.51 0.96 -0.26 0.00 0.00 -0.38 -1.12 119.26 119.97 1a8u h ALA 151 Ca 0.19 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1a8u h ALA 151 Cb 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1a8u h ALA 151 CO -0.02 0.62 0.05 0.28 0.00 0.00 0.00 179.25 180.18 1a8u h VAL 152 N 0.37 1.22 0.00 0.00 2.07 -0.70 -2.77 116.25 116.45 1a8u h VAL 152 Ca 0.04 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1a8u h VAL 152 Cb 0.85 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1a8u h VAL 152 CO 0.07 0.24 -0.15 0.11 0.02 0.00 0.00 177.57 177.87 1a8u h LYS 153 N 0.25 0.00 -0.13 1.57 1.57 -1.07 -2.03 116.57 116.73 1a8u h LYS 153 Ca 0.08 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.67 1a8u h LYS 153 Cb 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1a8u h LYS 153 CO 0.00 0.15 -0.69 0.00 -0.57 0.00 0.00 179.45 178.34 1a8u h ALA 154 N 1.85 0.55 -0.10 3.86 0.00 -0.93 -3.44 119.26 121.07 1a8u h ALA 154 Ca -0.00 -0.58 0.23 0.00 0.00 0.00 0.00 54.91 54.56 1a8u h ALA 154 Cb 0.36 -0.06 -0.18 0.00 0.00 0.00 0.00 17.79 17.91 1a8u h ALA 154 CO 0.02 0.72 0.03 0.34 0.00 0.00 0.00 179.25 180.36 1a8u s ASP 155 N -6.99 -0.15 0.30 0.00 -1.08 -1.03 -5.05 116.67 102.67 1a8u s ASP 155 Ca -0.07 -0.01 0.03 0.00 -0.52 0.00 0.00 52.55 51.98 1a8u s ASP 155 Cb 0.10 0.86 0.47 0.00 -1.46 0.00 0.00 42.92 42.89 1a8u s ASP 155 CO 0.86 -0.03 1.77 0.08 0.52 0.00 0.00 175.17 178.37 1a8u h ARG 156 N 6.59 0.50 -0.51 4.34 0.11 -1.60 -0.77 114.38 123.04 1a8u h ARG 156 Ca -0.09 -0.16 -0.04 0.00 0.10 0.00 0.00 59.98 59.79 1a8u h ARG 156 Cb 1.19 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 32.20 1a8u h ARG 156 CO -0.14 0.65 0.17 1.88 0.10 0.00 0.00 179.97 182.64 1a8u h TYR 157 N 0.45 0.81 -0.07 4.08 0.05 -1.95 -1.37 116.97 118.98 1a8u h TYR 157 Ca 0.08 -0.08 -0.18 0.00 0.05 0.00 0.00 58.73 58.60 1a8u h TYR 157 Cb 0.56 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 1a8u h TYR 157 CO 0.02 0.69 -0.72 0.00 -1.05 0.00 0.00 178.16 177.10 1a8u h ALA 158 N 1.03 0.63 -0.99 3.88 0.00 -1.92 -3.09 119.26 118.79 1a8u h ALA 158 Ca 0.17 -0.61 0.07 0.00 0.00 0.00 0.00 54.91 54.54 1a8u h ALA 158 Cb 0.26 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 1a8u h ALA 158 CO -0.01 0.77 0.63 0.35 0.00 0.00 0.00 179.25 181.00 1a8u h PHE 159 N 0.25 1.17 -0.13 0.00 3.57 -0.82 -2.10 116.94 118.88 1a8u h PHE 159 Ca -0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1a8u h PHE 159 Cb 1.29 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1a8u h PHE 159 CO 0.04 0.58 0.04 1.88 -2.23 0.00 0.00 178.31 178.63 1a8u h TYR 160 N 1.13 0.17 0.32 0.41 0.05 -1.17 -1.20 116.97 116.67 1a8u h TYR 160 Ca 0.44 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.20 1a8u h TYR 160 Cb 0.21 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.90 1a8u h TYR 160 CO -0.01 0.15 -0.15 1.15 -1.05 0.00 0.00 178.16 178.25 1a8u h THR 161 N 0.18 0.71 -0.40 -2.88 2.02 -1.48 -0.12 112.91 110.94 1a8u h THR 161 Ca 0.05 -0.21 -0.08 0.00 0.77 0.00 0.00 66.41 66.93 1a8u h THR 161 Cb 0.05 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1a8u h THR 161 CO -0.00 0.05 -0.08 1.23 0.37 0.00 0.00 175.52 177.08 1a8u h GLY 162 N -0.54 0.74 0.64 2.16 0.00 -1.58 -1.86 103.07 102.62 1a8u h GLY 162 Ca -0.04 -0.53 0.04 0.00 0.00 0.00 0.00 47.33 46.80 1a8u h GLY 162 CO 0.07 0.49 -0.03 -2.75 0.00 0.00 0.00 176.54 174.32 1a8u h PHE 163 N 0.64 -0.07 0.00 5.60 3.57 -1.03 -2.52 116.94 123.13 1a8u h PHE 163 Ca 0.12 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 1a8u h PHE 163 Cb 0.51 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1a8u h PHE 163 CO 0.02 -0.07 -0.28 0.74 -2.23 0.00 0.00 178.31 176.50 1a8u h PHE 164 N 0.02 0.00 -0.64 0.41 0.04 -0.79 0.10 116.94 116.09 1a8u h PHE 164 Ca 0.09 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 1a8u h PHE 164 Cb 0.14 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 1a8u h PHE 164 CO -0.20 0.28 0.36 -0.97 -0.60 0.00 0.00 178.31 177.18 1a8u h ASN 165 N 0.00 0.79 1.08 2.17 -1.24 -0.93 -2.00 115.58 115.44 1a8u h ASN 165 Ca -0.00 -0.08 -0.12 0.00 0.71 0.00 0.00 56.30 56.81 1a8u h ASN 165 Cb 0.86 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.69 1a8u h ASN 165 CO 0.04 0.64 -0.98 0.44 -1.29 0.00 0.00 177.43 176.28 1a8u h ASP 166 N 0.87 0.00 -0.74 1.15 3.32 -1.20 -1.27 116.42 118.56 1a8u h ASP 166 Ca 0.23 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 1a8u h ASP 166 Cb 0.02 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1a8u h ASP 166 CO -0.04 0.46 0.26 0.15 -1.72 0.00 0.00 179.24 178.35 1a8u h PHE 167 N 0.00 1.16 -0.56 4.55 3.04 -0.55 -3.03 116.94 121.55 1a8u h PHE 167 Ca -0.08 -0.10 0.00 0.00 3.98 0.00 0.00 57.97 61.77 1a8u h PHE 167 Cb 1.42 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 39.59 1a8u h PHE 167 CO 0.00 0.90 0.00 0.66 -2.02 0.00 0.00 178.31 177.85 1a8u n TYR 168 N -4.30 0.74 -3.97 0.41 4.01 -0.77 -0.37 117.16 112.90 1a8u n TYR 168 Ca 0.06 -0.46 -0.42 0.00 -0.16 0.00 0.00 57.90 56.92 1a8u n TYR 168 Cb 0.20 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.25 1a8u n TYR 168 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1a8u n ASN 169 N 1.25 -4.22 0.23 7.72 4.13 -1.07 -4.54 115.26 118.76 1a8u n ASN 169 Ca 0.19 -1.22 0.08 0.00 1.68 0.00 0.00 54.58 55.32 1a8u n ASN 169 Cb 0.55 -2.17 0.57 0.00 -1.54 0.00 0.00 39.78 37.19 1a8u n ASN 169 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1a8u h LEU 170 N -2.40 0.00 -2.35 3.41 3.38 -1.49 0.80 115.31 116.66 1a8u h LEU 170 Ca -0.70 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.27 1a8u h LEU 170 Cb 1.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 1a8u h LEU 170 CO 0.52 0.19 -0.00 -2.24 0.09 0.00 0.00 178.44 177.00 1a8u h ASP 171 N 0.00 0.00 0.06 -0.43 2.03 -1.89 -0.93 116.42 115.27 1a8u h ASP 171 Ca -0.00 0.00 -0.37 0.00 -0.73 0.00 0.00 57.03 55.93 1a8u h ASP 171 Cb 0.40 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.84 1a8u h ASP 171 CO 0.02 0.00 -2.30 -0.62 -1.03 0.00 0.00 179.24 175.31 1a8u n GLU 172 N -4.01 0.68 -0.00 4.15 1.02 -0.30 -4.77 120.64 117.41 1a8u n GLU 172 Ca -0.03 0.15 0.05 0.00 -0.02 0.00 0.00 57.16 57.31 1a8u n GLU 172 Cb 0.09 -1.58 -0.07 0.00 -0.02 0.00 0.00 31.44 29.86 1a8u n GLU 172 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1a8u n ASN 173 N -3.17 0.88 -4.70 1.62 3.02 0.12 -4.83 115.26 108.20 1a8u n ASN 173 Ca -0.38 -0.61 -0.42 0.00 -0.03 0.00 0.00 54.58 53.14 1a8u n ASN 173 Cb 1.04 1.10 -0.03 0.00 -0.61 0.00 0.00 39.78 41.29 1a8u n ASN 173 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1a8u s LEU 174 N -2.76 4.37 0.00 3.41 2.96 -0.37 -1.43 118.68 124.85 1a8u s LEU 174 Ca 0.03 2.52 0.00 0.00 -0.22 0.00 0.00 54.13 56.45 1a8u s LEU 174 Cb 0.08 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.20 1a8u s LEU 174 CO 0.46 -0.86 0.00 0.61 -1.32 0.00 0.00 176.35 175.24 1a8u n GLY 175 N 3.90 1.63 0.11 7.98 0.00 0.25 -4.85 105.19 114.21 1a8u n GLY 175 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1a8u n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a8u n THR 176 N -2.00 0.00 0.30 2.61 -2.24 -0.51 -4.89 114.28 107.55 1a8u n THR 176 Ca 0.00 0.01 0.12 0.00 -2.27 0.00 0.00 64.05 61.91 1a8u n THR 176 Cb 0.00 -0.62 0.16 0.00 -2.10 0.00 0.00 70.33 67.77 1a8u n THR 176 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1a8u h ARG 177 N 0.00 0.00 -3.19 -0.78 3.08 -1.63 -3.43 114.38 108.43 1a8u h ARG 177 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 1a8u h ARG 177 Cb 0.00 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 29.75 1a8u h ARG 177 CO 0.00 0.00 -0.55 -1.50 -1.07 0.00 0.00 179.97 176.85 1a8u s ILE 178 N -3.23 -0.04 0.59 2.04 2.07 -0.75 -4.37 121.20 117.51 1a8u s ILE 178 Ca 0.05 0.15 -0.09 0.00 -1.41 0.00 0.00 60.65 59.35 1a8u s ILE 178 Cb 0.09 -0.29 -0.03 0.00 0.13 0.00 0.00 42.46 42.36 1a8u s ILE 178 CO 0.70 0.06 0.97 -0.94 -1.91 0.00 0.00 174.94 173.81 1a8u s SER 179 N 1.05 6.10 0.37 4.50 1.04 -1.26 -0.58 113.70 124.91 1a8u s SER 179 Ca -0.08 1.21 0.06 0.00 0.48 0.00 0.00 55.95 57.62 1a8u s SER 179 Cb -0.10 -2.29 0.75 0.00 0.10 0.00 0.00 66.02 64.48 1a8u s SER 179 CO -0.06 -0.86 1.97 -0.33 0.98 0.00 0.00 173.24 174.93 1a8u h GLU 180 N -0.21 0.72 -0.64 4.02 5.08 -1.97 -1.74 114.58 119.84 1a8u h GLU 180 Ca -0.45 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 57.81 1a8u h GLU 180 Cb 1.21 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1a8u h GLU 180 CO 0.62 0.48 0.16 0.93 -1.00 0.00 0.00 179.01 180.20 1a8u h GLU 181 N 0.74 1.03 -0.12 2.33 3.07 -1.99 -0.27 114.58 119.37 1a8u h GLU 181 Ca 0.30 -0.24 -0.11 0.00 -0.50 0.00 0.00 59.36 58.81 1a8u h GLU 181 Cb 0.24 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1a8u h GLU 181 CO -0.10 0.92 -0.41 0.00 -1.40 0.00 0.00 179.01 178.03 1a8u h ALA 182 N 1.06 1.10 -0.45 3.43 0.00 -1.76 -0.84 119.26 121.81 1a8u h ALA 182 Ca 0.20 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1a8u h ALA 182 Cb 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1a8u h ALA 182 CO 0.00 0.59 -0.15 0.28 0.00 0.00 0.00 179.25 179.97 1a8u h VAL 183 N 0.22 1.27 -0.82 0.00 2.07 -0.99 -2.45 116.25 115.55 1a8u h VAL 183 Ca 0.02 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.27 1a8u h VAL 183 Cb 0.81 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 1a8u h VAL 183 CO 0.06 0.44 0.54 -0.09 0.02 0.00 0.00 177.57 178.54 1a8u h ARG 184 N 0.73 1.05 -1.00 1.57 2.43 -0.71 -0.19 114.38 118.26 1a8u h ARG 184 Ca 0.11 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 1a8u h ARG 184 Cb 0.71 -0.24 -0.06 0.00 -0.42 0.00 0.00 29.97 29.96 1a8u h ARG 184 CO 0.05 0.69 0.65 -0.97 -1.51 0.00 0.00 179.97 178.89 1a8u h ASN 185 N 1.08 1.06 -0.57 -3.80 -0.73 -0.95 -0.19 115.58 111.48 1a8u h ASN 185 Ca 0.31 -0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.44 1a8u h ASN 185 Cb -0.07 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.27 1a8u h ASN 185 CO -0.09 0.70 0.20 0.28 -0.37 0.00 0.00 177.43 178.15 1a8u h SER 186 N 1.21 0.81 -0.61 1.15 0.02 -0.72 -1.21 113.55 114.20 1a8u h SER 186 Ca 0.42 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1a8u h SER 186 Cb 0.09 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1a8u h SER 186 CO -0.15 0.79 0.34 -0.25 -1.14 0.00 0.00 176.83 176.42 1a8u h TRP 187 N 0.79 0.84 -0.78 3.45 7.01 -0.55 -0.66 115.95 126.05 1a8u h TRP 187 Ca 0.19 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.17 1a8u h TRP 187 Cb 0.25 -0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 27.00 1a8u h TRP 187 CO 0.01 0.60 0.50 -0.91 -2.79 0.00 0.00 178.44 175.86 1a8u h ASN 188 N 0.83 0.91 -0.53 2.65 -0.26 -0.69 0.71 115.58 119.21 1a8u h ASN 188 Ca 0.22 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.91 1a8u h ASN 188 Cb 0.04 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.05 1a8u h ASN 188 CO -0.04 0.67 0.29 0.74 -1.06 0.00 0.00 177.43 178.04 1a8u h THR 189 N 1.06 1.18 -0.38 2.81 2.02 -0.67 -1.63 112.91 117.29 1a8u h THR 189 Ca 0.28 -0.45 0.03 0.00 0.77 0.00 0.00 66.41 67.05 1a8u h THR 189 Cb -0.09 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 1a8u h THR 189 CO -0.06 0.19 0.17 0.00 0.37 0.00 0.00 175.52 176.19 1a8u h ALA 190 N 1.13 0.46 0.00 6.16 0.00 -0.62 -1.96 119.26 124.43 1a8u h ALA 190 Ca 0.19 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1a8u h ALA 190 Cb 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1a8u h ALA 190 CO -0.03 -0.21 -0.18 0.00 0.00 0.00 0.00 179.25 178.83 1a8u h ALA 191 N 1.22 1.26 0.00 0.00 0.00 -0.55 -1.97 119.26 119.22 1a8u h ALA 191 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a8u h ALA 191 Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1a8u h ALA 191 CO -0.14 0.23 0.00 0.66 0.00 0.00 0.00 179.25 180.00 1a8u h SER 192 N 0.00 0.00 -4.18 0.00 4.64 -0.53 -3.45 113.55 110.02 1a8u h SER 192 Ca -0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 1a8u h SER 192 Cb 0.47 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.70 1a8u h SER 192 CO 0.02 0.00 0.27 -0.83 -0.87 0.00 0.00 176.83 175.43 1a8u s GLY 193 N -4.01 1.65 0.46 -0.77 0.00 -0.74 -4.68 107.32 99.22 1a8u s GLY 193 Ca 0.05 0.12 -0.24 0.00 0.00 0.00 0.00 44.72 44.65 1a8u s GLY 193 CO 0.56 0.55 1.23 -0.32 0.00 0.00 0.00 173.10 175.12 1a8u s GLY 194 N -3.35 2.84 0.25 0.20 0.00 0.68 -4.94 107.32 103.00 1a8u s GLY 194 Ca 0.63 1.07 -0.06 0.00 0.00 0.00 0.00 44.72 46.36 1a8u s GLY 194 CO 0.57 1.57 1.87 0.27 0.00 0.00 0.00 173.10 177.38 1a8u h PHE 195 N 2.15 1.19 -0.17 1.90 -0.00 -1.93 -1.51 116.94 118.57 1a8u h PHE 195 Ca -0.50 -0.03 -0.07 0.00 -0.00 0.00 0.00 57.97 57.37 1a8u h PHE 195 Cb 1.25 -0.38 -0.00 0.00 -0.00 0.00 0.00 35.95 36.82 1a8u h PHE 195 CO 0.52 0.82 -0.19 0.35 -0.00 0.00 0.00 178.31 179.82 1a8u h PHE 196 N 1.21 0.51 -0.23 6.09 3.04 -1.92 -2.89 116.94 122.75 1a8u h PHE 196 Ca 0.30 -0.16 -0.03 0.00 3.98 0.00 0.00 57.97 62.07 1a8u h PHE 196 Cb 0.03 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 1a8u h PHE 196 CO 0.01 0.81 0.01 0.00 -2.02 0.00 0.00 178.31 177.13 1a8u h ALA 197 N 0.62 1.59 -0.84 2.41 0.00 -1.78 -0.14 119.26 121.12 1a8u h ALA 197 Ca 0.02 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1a8u h ALA 197 Cb 0.73 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1a8u h ALA 197 CO 0.05 0.30 0.54 0.00 0.00 0.00 0.00 179.25 180.14 1a8u h ALA 198 N 1.69 1.10 0.00 0.00 0.00 -1.06 0.12 119.26 121.11 1a8u h ALA 198 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1a8u h ALA 198 Cb 0.21 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1a8u h ALA 198 CO 0.00 0.38 -1.05 0.00 0.00 0.00 0.00 179.25 178.59 1a8u n ALA 199 N -2.34 2.49 0.01 0.00 0.00 -0.97 -4.29 120.51 115.41 1a8u n ALA 199 Ca 0.10 -0.26 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 1a8u n ALA 199 Cb 0.08 -1.09 -0.14 0.00 0.00 0.00 0.00 19.45 18.30 1a8u n ALA 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a8u h ALA 200 N 1.96 0.54 -0.84 0.00 0.00 -0.80 -3.38 119.26 116.74 1a8u h ALA 200 Ca -0.01 -1.32 0.07 0.00 0.00 0.00 0.00 54.91 53.66 1a8u h ALA 200 Cb 1.04 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 19.19 1a8u h ALA 200 CO 0.00 1.39 0.51 0.00 0.00 0.00 0.00 179.25 181.15 1a8u h ALA 201 N 0.68 1.18 0.00 0.00 0.00 -0.95 -1.67 119.26 118.50 1a8u h ALA 201 Ca -0.28 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1a8u h ALA 201 Cb 2.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 1a8u h ALA 201 CO 0.11 0.20 -0.00 -1.35 0.00 0.00 0.00 179.25 178.21 1a8u h PRO 202 N 0.90 0.00 0.00 0.00 0.11 -1.78 0.11 132.00 131.34 1a8u h PRO 202 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1a8u h PRO 202 Cb 0.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.36 1a8u h PRO 202 CO -0.20 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.38 1a8u h THR 203 N 0.00 0.00 0.00 -1.15 1.35 -1.51 -2.08 112.91 109.52 1a8u h THR 203 Ca -0.00 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1a8u h THR 203 Cb 0.00 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1a8u h THR 203 CO 0.00 0.00 -0.64 0.71 -0.25 0.00 0.00 175.52 175.34 1a8u h THR 204 N 0.00 0.00 -0.86 6.82 1.35 -1.06 -3.38 112.91 115.78 1a8u h THR 204 Ca 0.00 -0.56 0.07 0.00 -0.55 0.00 0.00 66.41 65.37 1a8u h THR 204 Cb 0.36 1.16 -0.06 0.00 -1.73 0.00 0.00 68.15 67.88 1a8u h THR 204 CO 0.00 0.00 0.56 -0.50 -0.25 0.00 0.00 175.52 175.33 1a8u h TRP 205 N 0.00 0.96 -0.65 4.73 6.55 -1.36 -2.36 115.95 123.81 1a8u h TRP 205 Ca 0.00 0.02 -0.25 0.00 0.95 0.00 0.00 58.89 59.61 1a8u h TRP 205 Cb 0.78 -0.31 -0.15 0.00 -0.86 0.00 0.00 29.16 28.62 1a8u h TRP 205 CO 0.00 0.49 0.32 2.48 -1.05 0.00 0.00 178.44 180.68 1a8u n TYR 206 N -4.49 2.10 -1.76 0.49 0.18 -1.26 -4.64 117.16 107.78 1a8u n TYR 206 Ca 0.13 -1.17 -0.40 0.00 1.88 0.00 0.00 57.90 58.33 1a8u n TYR 206 Cb 0.23 -0.65 0.01 0.00 -0.38 0.00 0.00 39.34 38.55 1a8u n TYR 206 CO 0.00 0.00 0.00 2.41 -2.08 0.00 0.00 176.86 177.19 1a8u n THR 207 N -0.30 2.48 -2.93 -3.48 -1.04 -0.89 -4.46 114.28 103.66 1a8u n THR 207 Ca 0.37 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.46 1a8u n THR 207 Cb 1.25 -1.87 -0.05 0.00 -1.82 0.00 0.00 70.33 67.85 1a8u n THR 207 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1a8u s ASP 208 N -0.35 6.53 -0.06 8.00 -1.08 -1.26 -4.40 116.67 124.05 1a8u s ASP 208 Ca 0.58 0.26 0.20 0.00 -0.52 0.00 0.00 52.55 53.07 1a8u s ASP 208 Cb -0.47 -2.41 0.66 0.00 -1.46 0.00 0.00 42.92 39.25 1a8u s ASP 208 CO 0.60 -0.82 1.56 0.49 0.52 0.00 0.00 175.17 177.52 1a8u n PHE 209 N 6.60 1.18 0.18 -5.34 3.72 0.05 -4.61 117.46 119.25 1a8u n PHE 209 Ca 0.04 -0.56 0.05 0.00 -0.05 0.00 0.00 57.45 56.93 1a8u n PHE 209 Cb 0.48 -0.12 0.51 0.00 -0.94 0.00 0.00 39.48 39.41 1a8u n PHE 209 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a8u h ARG 210 N 4.01 0.13 0.00 -1.08 3.08 -1.90 -0.62 114.38 118.00 1a8u h ARG 210 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1a8u h ARG 210 Cb 1.20 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1a8u h ARG 210 CO 0.11 0.19 -0.28 0.00 -1.07 0.00 0.00 179.97 178.92 1a8u n ALA 211 N -2.51 2.75 0.07 0.04 0.00 -1.26 -3.72 120.51 115.88 1a8u n ALA 211 Ca -0.01 -0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.13 1a8u n ALA 211 Cb 0.17 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 18.18 1a8u n ALA 211 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1a8u h ASP 212 N 0.00 0.22 -0.97 0.00 3.32 -1.45 -3.39 116.42 114.15 1a8u h ASP 212 Ca 0.00 -0.25 0.04 0.00 0.02 0.00 0.00 57.03 56.84 1a8u h ASP 212 Cb 0.62 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 40.04 1a8u h ASP 212 CO 0.00 1.20 0.63 0.40 -1.72 0.00 0.00 179.24 179.76 1a8u h ILE 213 N 0.04 1.15 0.00 0.35 2.04 -1.52 -1.06 117.51 118.52 1a8u h ILE 213 Ca -0.12 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1a8u h ILE 213 Cb 1.90 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1a8u h ILE 213 CO 0.16 0.22 0.00 -2.65 0.00 0.00 0.00 178.15 175.88 1a8u n PRO 214 N -4.47 0.10 0.00 2.37 -0.02 -1.26 -1.41 135.00 130.31 1a8u n PRO 214 Ca 0.13 0.49 0.14 0.00 -2.02 0.00 0.00 63.50 62.24 1a8u n PRO 214 Cb 0.11 -1.75 0.48 0.00 -0.02 0.00 0.00 33.50 32.32 1a8u n PRO 214 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1a8u n ARG 215 N -1.95 1.67 -2.58 -0.52 1.74 -0.40 -4.75 116.66 109.86 1a8u n ARG 215 Ca 0.01 -1.01 -0.41 0.00 -0.77 0.00 0.00 57.85 55.66 1a8u n ARG 215 Cb 0.10 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 1a8u n ARG 215 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1a8u s ILE 216 N -2.03 3.83 -0.31 0.55 1.01 -0.50 -4.68 121.20 119.08 1a8u s ILE 216 Ca 0.36 0.08 0.07 0.00 0.00 0.00 0.00 60.65 61.16 1a8u s ILE 216 Cb 0.21 -4.93 0.46 0.00 0.01 0.00 0.00 42.46 38.21 1a8u s ILE 216 CO 0.34 -1.84 1.26 -0.90 0.00 0.00 0.00 174.94 173.81 1a8u n ASP 217 N 9.09 4.67 -4.20 3.58 5.68 -1.26 -4.97 116.55 129.13 1a8u n ASP 217 Ca 0.09 -3.77 -0.12 0.00 -0.50 0.00 0.00 54.79 50.48 1a8u n ASP 217 Cb 0.49 -0.41 -0.10 0.00 -1.14 0.00 0.00 41.12 39.96 1a8u n ASP 217 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1a8u s VAL 218 N -4.42 0.73 0.33 2.12 -7.23 -1.26 -5.08 120.40 105.59 1a8u s VAL 218 Ca 0.50 -1.97 -0.28 0.00 -1.81 0.00 0.00 61.98 58.42 1a8u s VAL 218 Cb 0.41 -1.87 -0.13 0.00 0.56 0.00 0.00 36.38 35.35 1a8u s VAL 218 CO 0.02 -0.70 1.27 -2.65 -0.31 0.00 0.00 175.10 172.73 1a8u n PRO 219 N -0.14 2.04 -3.98 4.82 -0.02 -1.26 -4.73 135.00 131.74 1a8u n PRO 219 Ca -0.10 0.72 -0.09 0.00 -2.02 0.00 0.00 63.50 62.01 1a8u n PRO 219 Cb 0.62 -2.28 -0.11 0.00 -0.02 0.00 0.00 33.50 31.71 1a8u n PRO 219 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a8u s ALA 220 N -0.99 0.12 -0.05 3.55 0.00 -1.26 -1.10 121.76 122.04 1a8u s ALA 220 Ca 0.57 -0.62 0.05 0.00 0.00 0.00 0.00 51.96 51.96 1a8u s ALA 220 Cb -0.59 0.16 -0.00 0.00 0.00 0.00 0.00 23.12 22.69 1a8u s ALA 220 CO 0.61 -0.19 -0.19 -1.17 0.00 0.00 0.00 175.76 174.82 1a8u s LEU 221 N -1.64 1.94 -0.12 0.00 2.96 -0.75 -0.34 118.68 120.73 1a8u s LEU 221 Ca -0.13 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.42 1a8u s LEU 221 Cb -0.08 -1.05 0.00 0.00 0.50 0.00 0.00 46.19 45.57 1a8u s LEU 221 CO -0.02 0.17 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.34 1a8u s ILE 222 N 0.00 2.24 -0.01 6.68 1.01 0.24 -0.21 121.20 131.16 1a8u s ILE 222 Ca -0.04 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.68 1a8u s ILE 222 Cb -0.12 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.46 1a8u s ILE 222 CO 0.02 0.55 -0.02 -0.22 0.00 0.00 0.00 174.94 175.27 1a8u s LEU 223 N 0.58 1.88 0.03 2.97 0.20 -0.15 -1.02 118.68 123.16 1a8u s LEU 223 Ca -0.12 -0.04 -0.18 0.00 0.69 0.00 0.00 54.13 54.49 1a8u s LEU 223 Cb -0.17 -0.13 0.03 0.00 -0.43 0.00 0.00 46.19 45.50 1a8u s LEU 223 CO 0.04 0.01 0.40 -2.28 -0.29 0.00 0.00 176.35 174.22 1a8u s HIS 224 N 0.11 -0.25 0.11 5.38 2.46 -0.70 -0.94 115.29 121.46 1a8u s HIS 224 Ca -0.01 0.23 -0.16 0.00 0.47 0.00 0.00 55.06 55.59 1a8u s HIS 224 Cb -0.03 0.19 -0.07 0.00 -0.13 0.00 0.00 32.58 32.55 1a8u s HIS 224 CO -0.00 -0.54 0.56 0.20 -2.47 0.00 0.00 174.74 172.48 1a8u s GLY 225 N -1.89 2.55 0.29 1.59 0.00 -1.26 -0.86 107.32 107.74 1a8u s GLY 225 Ca -0.07 -0.06 0.26 0.00 0.00 0.00 0.00 44.72 44.85 1a8u s GLY 225 CO -0.01 0.29 1.76 -0.91 0.00 0.00 0.00 173.10 174.22 1a8u h THR 226 N 3.13 0.00 -0.66 0.90 1.35 -1.31 -2.89 112.91 113.44 1a8u h THR 226 Ca -0.49 -0.48 -0.18 0.00 -0.55 0.00 0.00 66.41 64.71 1a8u h THR 226 Cb 1.20 1.39 -0.11 0.00 -1.73 0.00 0.00 68.15 68.91 1a8u h THR 226 CO 0.65 0.00 0.21 0.61 -0.25 0.00 0.00 175.52 176.73 1a8u n GLY 227 N 0.74 3.74 3.61 5.82 0.00 0.79 -4.84 105.19 115.04 1a8u n GLY 227 Ca 0.04 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 1a8u n GLY 227 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1a8u s ASP 228 N -1.21 6.22 0.26 1.61 -1.08 -1.08 -4.29 116.67 117.10 1a8u s ASP 228 Ca 0.53 1.22 0.23 0.00 -0.52 0.00 0.00 52.55 54.01 1a8u s ASP 228 Cb 0.43 -2.53 0.23 0.00 -1.46 0.00 0.00 42.92 39.58 1a8u s ASP 228 CO 0.12 -1.46 1.33 0.03 0.52 0.00 0.00 175.17 175.71 1a8u h ARG 229 N 11.36 0.00 0.05 4.34 3.08 -1.91 -3.35 114.38 127.96 1a8u h ARG 229 Ca -0.31 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.62 1a8u h ARG 229 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1a8u h ARG 229 CO 1.04 0.00 -0.60 1.15 -1.07 0.00 0.00 179.97 180.49 1a8u h THR 230 N 0.00 1.48 -3.21 2.04 2.02 -1.88 -3.42 112.91 109.93 1a8u h THR 230 Ca 0.00 -2.38 -0.62 0.00 0.77 0.00 0.00 66.41 64.18 1a8u h THR 230 Cb 0.94 3.08 -0.40 0.00 -1.74 0.00 0.00 68.15 70.02 1a8u h THR 230 CO 0.00 0.61 -0.72 -0.76 0.37 0.00 0.00 175.52 175.01 1a8u s LEU 231 N -7.98 3.15 0.23 2.58 1.43 -1.26 -5.10 118.68 111.73 1a8u s LEU 231 Ca -0.19 -2.33 -0.32 0.00 -1.03 0.00 0.00 54.13 50.26 1a8u s LEU 231 Cb 0.00 -1.18 -0.12 0.00 0.03 0.00 0.00 46.19 44.92 1a8u s LEU 231 CO 0.72 -0.32 1.62 -2.65 0.23 0.00 0.00 176.35 175.95 1a8u n PRO 232 N 3.96 2.53 0.00 1.29 -0.02 -1.26 -4.74 135.00 136.77 1a8u n PRO 232 Ca 0.04 0.91 0.08 0.00 -2.02 0.00 0.00 63.50 62.51 1a8u n PRO 232 Cb 0.37 -2.70 0.49 0.00 -0.02 0.00 0.00 33.50 31.65 1a8u n PRO 232 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1a8u h ILE 233 N 3.52 1.00 0.00 4.25 2.10 -1.82 -1.67 117.51 124.89 1a8u h ILE 233 Ca -0.45 -0.14 -0.04 0.00 1.08 0.00 0.00 64.86 65.31 1a8u h ILE 233 Cb 1.23 0.56 -0.01 0.00 -1.09 0.00 0.00 36.82 37.51 1a8u h ILE 233 CO 0.87 0.07 -0.21 1.05 -1.08 0.00 0.00 178.15 178.85 1a8u h GLU 234 N 0.40 0.00 -0.17 2.19 9.09 -1.97 -1.85 114.58 122.28 1a8u h GLU 234 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.59 1a8u h GLU 234 Cb 0.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.32 1a8u h GLU 234 CO -0.04 0.21 0.00 0.09 0.05 0.00 0.00 179.01 179.32 1a8u n ASN 235 N -3.72 2.72 0.00 3.06 4.13 -0.66 -4.25 115.26 116.54 1a8u n ASN 235 Ca -0.01 -1.80 0.00 0.00 1.68 0.00 0.00 54.58 54.45 1a8u n ASN 235 Cb 0.32 -0.11 0.00 0.00 -1.54 0.00 0.00 39.78 38.46 1a8u n ASN 235 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1a8u n THR 236 N 0.98 0.00 -0.32 3.41 -2.24 -1.03 -4.49 114.28 110.60 1a8u n THR 236 Ca 0.12 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.00 1a8u n THR 236 Cb 0.45 0.00 0.26 0.00 -2.10 0.00 0.00 70.33 68.94 1a8u n THR 236 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a8u h ALA 237 N 1.00 1.43 -0.20 6.98 0.00 -1.71 0.24 119.26 127.00 1a8u h ALA 237 Ca 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1a8u h ALA 237 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1a8u h ALA 237 CO 0.00 -0.07 -0.39 0.00 0.00 0.00 0.00 179.25 178.78 1a8u h ARG 238 N 0.68 0.46 0.02 0.00 3.08 -1.59 0.64 114.38 117.66 1a8u h ARG 238 Ca 0.51 -0.22 -0.22 0.00 0.07 0.00 0.00 59.98 60.11 1a8u h ARG 238 Cb 0.75 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 1a8u h ARG 238 CO -0.37 0.78 -0.97 0.28 -1.07 0.00 0.00 179.97 178.62 1a8u h VAL 239 N 0.38 1.46 -0.39 2.04 2.07 -1.55 -3.09 116.25 117.16 1a8u h VAL 239 Ca 0.04 -2.63 -0.10 0.00 0.82 0.00 0.00 66.70 64.82 1a8u h VAL 239 Cb 0.86 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 33.15 1a8u h VAL 239 CO 0.07 0.77 -0.16 0.15 0.02 0.00 0.00 177.57 178.43 1a8u h PHE 240 N 0.15 0.81 -0.04 1.57 3.57 -0.03 -2.19 116.94 120.79 1a8u h PHE 240 Ca -0.07 -0.16 -0.07 0.00 3.53 0.00 0.00 57.97 61.19 1a8u h PHE 240 Cb 1.62 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 40.15 1a8u h PHE 240 CO 0.05 0.84 -0.32 1.25 -2.23 0.00 0.00 178.31 177.90 1a8u h HIS 241 N 0.65 0.07 -0.21 0.41 2.76 -0.88 1.00 115.15 118.96 1a8u h HIS 241 Ca 0.10 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.17 1a8u h HIS 241 Cb 0.64 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.56 1a8u h HIS 241 CO 0.03 0.38 -0.28 -0.22 -1.30 0.00 0.00 177.93 176.54 1a8u h LYS 242 N 0.06 0.40 0.00 5.26 1.63 -1.35 -2.66 116.57 119.91 1a8u h LYS 242 Ca 0.01 -0.15 -0.07 0.00 -0.85 0.00 0.00 60.65 59.58 1a8u h LYS 242 Cb 0.60 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 1a8u h LYS 242 CO 0.04 0.64 -0.34 0.00 -3.45 0.00 0.00 179.45 176.35 1a8u h ALA 243 N 1.36 0.78 -2.07 5.00 0.00 -0.74 -3.36 119.26 120.24 1a8u h ALA 243 Ca 0.05 -0.31 -0.57 0.00 0.00 0.00 0.00 54.91 54.09 1a8u h ALA 243 Cb 0.67 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 18.01 1a8u h ALA 243 CO 0.05 0.42 -0.95 -0.11 0.00 0.00 0.00 179.25 178.67 1a8u n LEU 244 N -3.19 1.45 0.18 0.00 7.94 0.26 -4.81 117.00 118.85 1a8u n LEU 244 Ca 0.03 -4.98 0.14 0.00 -1.11 0.00 0.00 56.01 50.08 1a8u n LEU 244 Cb 0.67 0.22 0.58 0.00 0.53 0.00 0.00 43.42 45.42 1a8u n LEU 244 CO 0.38 2.10 0.91 1.55 -1.11 0.00 0.00 177.39 181.22 1a8u h PRO 245 N 3.91 0.00 0.00 1.96 0.13 -1.63 -1.69 132.00 134.68 1a8u h PRO 245 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1a8u h PRO 245 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1a8u h PRO 245 CO 0.59 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.23 1a8u n SER 246 N -2.52 0.31 -4.80 1.44 3.41 -1.26 -4.83 113.62 105.36 1a8u n SER 246 Ca 0.01 0.55 -0.34 0.00 -0.26 0.00 0.00 58.87 58.83 1a8u n SER 246 Cb 0.23 -0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 63.53 1a8u n SER 246 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a8u s ALA 247 N -3.09 2.84 0.49 7.33 0.00 -0.64 -4.69 121.76 124.00 1a8u s ALA 247 Ca 0.09 0.62 -0.21 0.00 0.00 0.00 0.00 51.96 52.46 1a8u s ALA 247 Cb 0.12 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.90 1a8u s ALA 247 CO 0.42 -0.39 1.08 -1.21 0.00 0.00 0.00 175.76 175.66 1a8u s GLU 248 N -3.29 3.73 -0.03 0.00 2.02 0.54 -4.88 118.70 116.78 1a8u s GLU 248 Ca 0.68 1.49 0.00 0.00 0.02 0.00 0.00 54.97 57.16 1a8u s GLU 248 Cb -0.17 -2.16 0.03 0.00 0.10 0.00 0.00 34.13 31.93 1a8u s GLU 248 CO 0.22 -0.52 0.01 -0.47 0.02 0.00 0.00 175.26 174.52 1a8u s TYR 249 N -1.84 0.25 -0.04 1.61 5.04 -1.26 -0.59 117.35 120.52 1a8u s TYR 249 Ca 0.67 0.03 0.02 0.00 -2.44 0.00 0.00 57.07 55.35 1a8u s TYR 249 Cb -0.20 -0.38 0.01 0.00 0.35 0.00 0.00 41.96 41.74 1a8u s TYR 249 CO 0.24 -0.13 -0.07 0.08 -1.34 0.00 0.00 175.55 174.34 1a8u s VAL 250 N 1.08 0.67 -0.20 3.14 1.01 -0.19 -4.98 120.40 120.94 1a8u s VAL 250 Ca -0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 1a8u s VAL 250 Cb -0.13 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 1a8u s VAL 250 CO -0.02 0.24 -0.03 -1.61 0.00 0.00 0.00 175.10 173.68 1a8u s GLU 251 N 0.61 3.53 -0.41 2.72 2.02 -1.26 -1.73 118.70 124.19 1a8u s GLU 251 Ca -0.09 -0.57 -0.21 0.00 0.02 0.00 0.00 54.97 54.13 1a8u s GLU 251 Cb -0.12 -3.01 0.02 0.00 0.10 0.00 0.00 34.13 31.12 1a8u s GLU 251 CO 0.01 -0.01 0.65 0.08 0.02 0.00 0.00 175.26 176.00 1a8u s VAL 252 N 1.03 4.84 -0.05 2.63 1.01 -0.04 -4.93 120.40 124.89 1a8u s VAL 252 Ca 0.01 0.32 -0.31 0.00 0.00 0.00 0.00 61.98 62.00 1a8u s VAL 252 Cb -0.15 -4.16 -0.09 0.00 0.00 0.00 0.00 36.38 31.99 1a8u s VAL 252 CO 0.01 -0.49 2.01 1.21 0.00 0.00 0.00 175.10 177.84 1a8u n GLU 253 N 6.20 2.51 -0.97 2.72 4.07 -1.26 -1.65 120.64 132.26 1a8u n GLU 253 Ca -0.01 0.88 0.00 0.00 -0.06 0.00 0.00 57.16 57.97 1a8u n GLU 253 Cb 0.48 -2.96 0.00 0.00 -0.06 0.00 0.00 31.44 28.91 1a8u n GLU 253 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1a8u n GLY 254 N 4.80 0.78 3.82 8.31 0.00 -1.26 -4.88 105.19 116.77 1a8u n GLY 254 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 1a8u n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8u s ALA 255 N -3.20 3.05 0.69 4.61 0.00 -0.89 -4.31 121.76 121.72 1a8u s ALA 255 Ca 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.30 1a8u s ALA 255 Cb 0.00 -3.14 0.02 0.00 0.00 0.00 0.00 23.12 20.00 1a8u s ALA 255 CO 0.00 0.07 0.12 -0.35 0.00 0.00 0.00 175.76 175.60 1a8u n PRO 256 N -0.81 0.22 -0.14 0.00 -0.04 -1.26 -0.15 135.00 132.83 1a8u n PRO 256 Ca 0.07 -0.24 -0.10 0.00 -0.04 0.00 0.00 63.50 63.19 1a8u n PRO 256 Cb 0.54 -0.10 -0.01 0.00 -0.04 0.00 0.00 33.50 33.89 1a8u n PRO 256 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1a8u h HIS 257 N -0.72 0.71 -0.16 0.54 -0.00 -1.71 -3.27 115.15 110.53 1a8u h HIS 257 Ca -0.04 -0.10 -0.26 0.00 -0.00 0.00 0.00 60.37 59.97 1a8u h HIS 257 Cb 0.12 -0.19 -0.08 0.00 -0.00 0.00 0.00 27.41 27.26 1a8u h HIS 257 CO 0.00 0.69 -0.03 0.41 -0.00 0.00 0.00 177.93 179.00 1a8u n GLY 258 N -0.50 3.28 0.00 5.26 0.00 0.50 -4.59 105.19 109.12 1a8u n GLY 258 Ca -0.01 -1.33 0.14 0.00 0.00 0.00 0.00 46.02 44.82 1a8u n GLY 258 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1a8u n LEU 259 N 2.32 0.00 -0.07 0.99 -0.00 -1.23 -2.51 117.00 116.50 1a8u n LEU 259 Ca 0.46 0.44 0.02 0.00 -0.00 0.00 0.00 56.01 56.92 1a8u n LEU 259 Cb 0.83 -0.44 0.33 0.00 -0.00 0.00 0.00 43.42 44.13 1a8u n LEU 259 CO 0.19 -0.02 1.12 -0.07 -0.00 0.00 0.00 177.39 178.62 1a8u h LEU 260 N 0.00 0.61 0.00 1.47 3.38 -1.88 -1.58 115.31 117.32 1a8u h LEU 260 Ca 0.00 -0.04 -0.36 0.00 0.09 0.00 0.00 57.88 57.57 1a8u h LEU 260 Cb 0.42 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1a8u h LEU 260 CO 0.00 0.50 -1.96 1.87 0.09 0.00 0.00 178.44 178.94 1a8u n TRP 261 N -4.40 0.47 0.11 1.13 -0.00 -1.12 -3.65 117.44 109.98 1a8u n TRP 261 Ca 0.04 0.20 0.01 0.00 -0.00 0.00 0.00 57.50 57.75 1a8u n TRP 261 Cb 0.10 -1.05 0.32 0.00 -0.00 0.00 0.00 31.31 30.69 1a8u n TRP 261 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 177.69 179.48 1a8u h THR 262 N -1.00 1.24 -1.07 5.87 1.35 -1.52 -2.99 112.91 114.79 1a8u h THR 262 Ca -0.54 -1.11 -0.51 0.00 -0.55 0.00 0.00 66.41 63.70 1a8u h THR 262 Cb 1.48 1.42 -0.42 0.00 -1.73 0.00 0.00 68.15 68.90 1a8u h THR 262 CO -0.33 0.34 -0.86 1.41 -0.25 0.00 0.00 175.52 175.82 1a8u n HIS 263 N -4.16 2.66 -0.23 4.73 8.25 -0.60 -4.87 115.22 121.00 1a8u n HIS 263 Ca -0.01 -2.66 -0.02 0.00 -0.26 0.00 0.00 57.72 54.76 1a8u n HIS 263 Cb 0.36 -0.22 0.09 0.00 1.12 0.00 0.00 29.99 31.33 1a8u n HIS 263 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a8u h ALA 264 N 2.50 0.89 -0.82 -1.41 0.00 -1.48 -0.28 119.26 118.66 1a8u h ALA 264 Ca 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1a8u h ALA 264 Cb 1.20 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1a8u h ALA 264 CO 0.70 0.10 0.36 0.93 0.00 0.00 0.00 179.25 181.34 1a8u h GLU 265 N 0.74 1.21 -0.31 0.00 4.39 -1.89 0.19 114.58 118.91 1a8u h GLU 265 Ca 0.29 -0.20 -0.15 0.00 0.34 0.00 0.00 59.36 59.64 1a8u h GLU 265 Cb 0.13 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1a8u h GLU 265 CO -0.15 0.95 -0.42 0.93 -1.16 0.00 0.00 179.01 179.16 1a8u h GLU 266 N 1.19 0.76 -0.18 2.33 3.07 -1.74 -0.14 114.58 119.87 1a8u h GLU 266 Ca 0.28 -0.41 -0.04 0.00 -0.50 0.00 0.00 59.36 58.69 1a8u h GLU 266 Cb 0.17 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1a8u h GLU 266 CO -0.03 1.03 -0.04 0.28 -1.40 0.00 0.00 179.01 178.85 1a8u h VAL 267 N 0.62 1.29 -0.55 3.13 2.07 -0.89 -2.44 116.25 119.48 1a8u h VAL 267 Ca 0.05 -1.01 -0.06 0.00 0.82 0.00 0.00 66.70 66.50 1a8u h VAL 267 Cb 0.98 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 1a8u h VAL 267 CO 0.09 0.30 0.12 0.78 0.02 0.00 0.00 177.57 178.88 1a8u h ASN 268 N 0.06 0.85 -0.51 0.57 2.35 -0.49 0.15 115.58 118.56 1a8u h ASN 268 Ca 0.05 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.52 1a8u h ASN 268 Cb 0.48 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1a8u h ASN 268 CO 0.02 0.87 0.20 0.74 -1.65 0.00 0.00 177.43 177.60 1a8u h THR 269 N 0.79 1.22 -0.43 2.81 2.02 -1.02 -0.23 112.91 118.06 1a8u h THR 269 Ca 0.17 -0.68 -0.12 0.00 0.77 0.00 0.00 66.41 66.55 1a8u h THR 269 Cb 0.36 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1a8u h THR 269 CO 0.00 0.26 -0.19 0.00 0.37 0.00 0.00 175.52 175.96 1a8u h ALA 270 N 1.04 0.60 -0.25 6.16 0.00 -1.20 -1.41 119.26 124.21 1a8u h ALA 270 Ca 0.17 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1a8u h ALA 270 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1a8u h ALA 270 CO -0.01 0.56 -0.07 1.25 0.00 0.00 0.00 179.25 180.98 1a8u h LEU 271 N 0.71 0.50 -0.94 0.00 5.85 -0.58 -1.91 115.31 118.94 1a8u h LEU 271 Ca 0.10 -0.37 -0.11 0.00 0.84 0.00 0.00 57.88 58.33 1a8u h LEU 271 Cb 0.76 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1a8u h LEU 271 CO 0.06 0.75 -0.51 -0.07 -0.34 0.00 0.00 178.44 178.33 1a8u h LEU 272 N 0.23 0.05 -0.85 2.25 4.07 -1.05 -0.52 115.31 119.49 1a8u h LEU 272 Ca 0.06 -0.02 -0.08 0.00 0.08 0.00 0.00 57.88 57.92 1a8u h LEU 272 Cb 0.54 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 1a8u h LEU 272 CO 0.03 0.55 -0.00 0.00 -1.08 0.00 0.00 178.44 177.94 1a8u h ALA 273 N 1.45 1.04 -0.34 1.53 0.00 -1.08 -1.03 119.26 120.83 1a8u h ALA 273 Ca -0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1a8u h ALA 273 Cb 0.92 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1a8u h ALA 273 CO 0.07 0.60 -0.17 0.35 0.00 0.00 0.00 179.25 180.09 1a8u h PHE 274 N 0.79 0.83 0.00 0.00 3.57 -0.90 -3.04 116.94 118.19 1a8u h PHE 274 Ca 0.15 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1a8u h PHE 274 Cb 0.48 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 1a8u h PHE 274 CO 0.03 0.92 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.90 1a8u h LEU 275 N 0.49 0.00 -1.19 0.59 3.38 -0.88 -2.52 115.31 115.19 1a8u h LEU 275 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1a8u h LEU 275 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1a8u h LEU 275 CO 0.05 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.65 1a8u h ALA 276 N 1.93 1.00 -0.01 1.53 0.00 -1.07 -3.51 119.26 119.13 1a8u h ALA 276 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a8u h ALA 276 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1a8u h ALA 276 CO 0.01 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.89