#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sta s HIS 8 N 0.00 -0.38 0.44 -1.77 -3.43 -1.26 -5.13 115.29 103.75 1sta s HIS 8 Ca 0.00 0.73 -0.22 0.00 -0.80 0.00 0.00 55.06 54.77 1sta s HIS 8 Cb 0.00 0.19 -0.09 0.00 -1.43 0.00 0.00 32.58 31.26 1sta s HIS 8 CO 0.00 -0.41 1.05 0.15 -2.00 0.00 0.00 174.74 173.53 1sta s LYS 9 N -0.88 4.00 0.33 -0.38 1.02 -1.26 -4.38 119.74 118.18 1sta s LYS 9 Ca -0.09 1.45 -0.29 0.00 0.02 0.00 0.00 55.97 57.06 1sta s LYS 9 Cb -0.03 -2.34 -0.11 0.00 -0.52 0.00 0.00 37.83 34.83 1sta s LYS 9 CO 0.05 -0.27 1.40 -1.21 -0.92 0.00 0.00 175.35 174.40 1sta s GLU 10 N -2.83 4.25 0.00 1.68 0.41 -0.08 -5.00 118.70 117.13 1sta s GLU 10 Ca 0.62 2.36 -0.04 0.00 -0.41 0.00 0.00 54.97 57.51 1sta s GLU 10 Cb -0.20 -3.04 -0.04 0.00 -1.78 0.00 0.00 34.13 29.07 1sta s GLU 10 CO 0.24 -0.36 0.66 -0.35 -0.49 0.00 0.00 175.26 174.96 1sta n PRO 11 N 1.05 0.00 -3.63 0.39 -0.04 -1.26 -4.69 135.00 126.82 1sta n PRO 11 Ca 0.02 -0.33 -0.22 0.00 -0.04 0.00 0.00 63.50 62.93 1sta n PRO 11 Cb 0.40 -1.61 -0.03 0.00 -0.04 0.00 0.00 33.50 32.23 1sta n PRO 11 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1sta s GLY 11 N 3.61 2.17 0.34 0.55 0.00 -1.26 -5.06 107.32 107.68 1sta s GLY 11 Ca 0.08 -1.83 0.07 0.00 0.00 0.00 0.00 44.72 43.04 1sta s GLY 11 CO 0.04 -1.75 0.36 0.00 0.00 0.00 0.00 173.10 171.75 1sta s ALA 12 N -2.53 3.99 0.14 3.20 0.00 -0.16 -4.80 121.76 121.61 1sta s ALA 12 Ca 0.46 -1.59 0.09 0.00 0.00 0.00 0.00 51.96 50.92 1sta s ALA 12 Cb -0.03 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 1sta s ALA 12 CO 0.27 -0.02 -0.13 0.95 0.00 0.00 0.00 175.76 176.83 1sta s THR 13 N -2.26 3.08 0.23 0.00 -4.23 -0.44 -4.24 115.64 107.78 1sta s THR 13 Ca 0.43 -1.53 -0.30 0.00 -1.18 0.00 0.00 61.69 59.11 1sta s THR 13 Cb -0.07 -2.47 -0.09 0.00 1.34 0.00 0.00 72.50 71.21 1sta s THR 13 CO 0.28 0.01 1.20 -0.22 -0.54 0.00 0.00 174.62 175.35 1sta s LEU 14 N -2.46 4.47 -0.16 4.79 2.96 -1.26 -0.38 118.68 126.65 1sta s LEU 14 Ca 0.22 2.32 -0.13 0.00 -0.22 0.00 0.00 54.13 56.31 1sta s LEU 14 Cb -0.10 -3.62 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 1sta s LEU 14 CO 0.13 -0.34 -0.28 -0.38 -1.32 0.00 0.00 176.35 174.15 1sta n ILE 15 N 1.92 1.38 -3.64 6.68 5.41 0.08 -4.78 119.36 126.41 1sta n ILE 15 Ca 0.02 0.03 -0.06 0.00 1.00 0.00 0.00 62.75 63.75 1sta n ILE 15 Cb 0.44 -2.07 -0.07 0.00 -0.71 0.00 0.00 39.64 37.23 1sta n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1sta s LYS 16 N -2.63 0.64 -0.19 0.38 2.20 -0.75 -5.00 119.74 114.39 1sta s LYS 16 Ca -0.26 1.16 -0.27 0.00 -0.36 0.00 0.00 55.97 56.25 1sta s LYS 16 Cb 0.06 0.21 -0.00 0.00 -1.51 0.00 0.00 37.83 36.59 1sta s LYS 16 CO 0.36 -0.14 0.92 0.00 -0.36 0.00 0.00 175.35 176.13 1sta s ALA 17 N 1.74 3.58 -0.13 3.13 0.00 -1.26 0.34 121.76 129.16 1sta s ALA 17 Ca -0.09 0.09 -0.09 0.00 0.00 0.00 0.00 51.96 51.87 1sta s ALA 17 Cb -0.06 -3.37 -0.25 0.00 0.00 0.00 0.00 23.12 19.44 1sta s ALA 17 CO -0.19 -0.83 0.36 0.82 0.00 0.00 0.00 175.76 175.93 1sta h ILE 18 N 5.31 0.69 -1.29 0.00 2.04 -1.51 -3.48 117.51 119.27 1sta h ILE 18 Ca -0.25 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.28 1sta h ILE 18 Cb 1.10 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.66 1sta h ILE 18 CO 0.89 0.81 0.00 -0.90 0.00 0.00 0.00 178.15 178.95 1sta n ASP 19 N -3.64 0.00 0.22 1.72 5.75 -1.01 -5.00 116.55 114.59 1sta n ASP 19 Ca -0.31 -0.29 0.05 0.00 -0.01 0.00 0.00 54.79 54.23 1sta n ASP 19 Cb 0.99 0.00 0.47 0.00 -1.03 0.00 0.00 41.12 41.55 1sta n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1sta h GLY 20 N 0.00 0.00 0.00 6.12 0.00 -1.81 -3.25 103.07 104.13 1sta h GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sta h GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 1sta n ASP 21 N -4.24 1.78 -3.94 0.19 5.68 -1.26 -4.75 116.55 110.00 1sta n ASP 21 Ca -0.02 -1.79 -0.25 0.00 -0.50 0.00 0.00 54.79 52.23 1sta n ASP 21 Cb 0.29 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.10 1sta n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1sta s THR 22 N -0.79 0.96 0.01 2.12 2.01 -1.23 -0.74 115.64 117.98 1sta s THR 22 Ca 0.00 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.70 1sta s THR 22 Cb 0.00 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.56 1sta s THR 22 CO 0.00 0.34 -0.06 0.68 -0.69 0.00 0.00 174.62 174.89 1sta s VAL 23 N 1.19 0.43 -0.12 3.82 -7.23 -0.59 -1.19 120.40 116.71 1sta s VAL 23 Ca -0.05 -0.42 -0.15 0.00 -1.81 0.00 0.00 61.98 59.54 1sta s VAL 23 Cb -0.14 -0.40 -0.05 0.00 0.56 0.00 0.00 36.38 36.35 1sta s VAL 23 CO -0.02 -0.01 0.38 -0.54 -0.31 0.00 0.00 175.10 174.60 1sta s LYS 24 N -0.47 4.23 0.07 4.82 1.02 0.15 -0.63 119.74 128.93 1sta s LYS 24 Ca -0.01 0.27 0.05 0.00 0.02 0.00 0.00 55.97 56.30 1sta s LYS 24 Cb -0.04 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.84 1sta s LYS 24 CO -0.00 0.28 -0.14 -0.51 -0.92 0.00 0.00 175.35 174.06 1sta s LEU 25 N 0.29 2.29 -0.48 3.17 1.43 0.19 -0.74 118.68 124.83 1sta s LEU 25 Ca 0.21 -0.64 -0.22 0.00 -1.03 0.00 0.00 54.13 52.45 1sta s LEU 25 Cb -0.14 -0.49 0.03 0.00 0.03 0.00 0.00 46.19 45.62 1sta s LEU 25 CO 0.08 -0.10 0.77 -0.32 0.23 0.00 0.00 176.35 177.01 1sta s MET 26 N -1.86 3.32 -0.16 1.70 -2.45 0.49 -0.49 119.30 119.85 1sta s MET 26 Ca -0.01 -0.30 0.02 0.00 -1.25 0.00 0.00 55.69 54.14 1sta s MET 26 Cb -0.09 -3.99 0.01 0.00 1.25 0.00 0.00 34.83 32.01 1sta s MET 26 CO 0.02 -1.20 -0.21 -0.47 1.05 0.00 0.00 175.02 174.21 1sta s TYR 27 N 3.27 2.73 -1.67 4.11 5.04 0.33 -1.33 117.35 129.82 1sta s TYR 27 Ca 0.27 -1.49 -0.16 0.00 -2.44 0.00 0.00 57.07 53.25 1sta s TYR 27 Cb -0.14 -1.87 0.14 0.00 0.35 0.00 0.00 41.96 40.44 1sta s TYR 27 CO 0.20 -0.71 0.70 1.63 -1.34 0.00 0.00 175.55 176.03 1sta n LYS 28 N 4.35 -2.98 -1.05 4.97 5.02 -1.26 -0.58 118.16 126.62 1sta n LYS 28 Ca -0.20 0.35 -0.02 0.00 -2.02 0.00 0.00 58.31 56.42 1sta n LYS 28 Cb 0.51 -4.95 -0.01 0.00 -0.02 0.00 0.00 35.03 30.56 1sta n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sta n GLY 29 N -1.50 0.43 3.33 0.72 0.00 -1.26 -4.99 105.19 101.91 1sta n GLY 29 Ca 0.01 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1sta n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sta s GLN 30 N -1.32 2.90 0.13 1.61 -1.52 0.25 -5.10 119.66 116.60 1sta s GLN 30 Ca 0.00 -0.80 -0.31 0.00 -1.95 0.00 0.00 55.36 52.30 1sta s GLN 30 Cb 0.00 -2.37 -0.09 0.00 -0.22 0.00 0.00 33.01 30.33 1sta s GLN 30 CO 0.00 0.33 1.51 -1.25 -0.25 0.00 0.00 175.29 175.63 1sta s PRO 31 N -0.01 4.25 -0.00 2.91 0.04 -1.26 -0.52 135.00 140.42 1sta s PRO 31 Ca -0.06 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1sta s PRO 31 Cb -0.15 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1sta s PRO 31 CO 0.05 -0.56 -0.00 -1.64 0.04 0.00 0.00 177.00 174.88 1sta s MET 32 N 1.36 0.05 -0.11 4.56 -1.94 0.35 -4.93 119.30 118.65 1sta s MET 32 Ca 0.68 -0.00 -0.18 0.00 -1.71 0.00 0.00 55.69 54.48 1sta s MET 32 Cb -0.40 -0.08 -0.04 0.00 2.01 0.00 0.00 34.83 36.31 1sta s MET 32 CO 0.31 -0.00 0.47 0.99 -0.01 0.00 0.00 175.02 176.78 1sta s THR 33 N 0.10 5.17 -0.05 2.05 2.01 -1.26 -0.63 115.64 123.02 1sta s THR 33 Ca -0.01 0.95 0.04 0.00 0.31 0.00 0.00 61.69 62.98 1sta s THR 33 Cb -0.02 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 1sta s THR 33 CO -0.00 0.35 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.76 1sta s PHE 34 N 0.46 2.67 -0.12 4.92 0.40 0.19 -0.47 117.98 126.04 1sta s PHE 34 Ca 0.26 -0.22 0.01 0.00 -0.60 0.00 0.00 56.93 56.38 1sta s PHE 34 Cb -0.15 -1.63 -0.01 0.00 0.51 0.00 0.00 43.02 41.74 1sta s PHE 34 CO 0.11 0.14 -0.15 0.50 0.70 0.00 0.00 175.22 176.52 1sta s ARG 35 N -0.65 3.32 0.08 0.44 6.06 0.54 -1.54 118.95 127.19 1sta s ARG 35 Ca 0.10 -0.72 -0.31 0.00 -2.50 0.00 0.00 55.73 52.30 1sta s ARG 35 Cb -0.11 -2.57 -0.08 0.00 0.06 0.00 0.00 34.95 32.25 1sta s ARG 35 CO 0.01 0.21 1.57 -0.51 -2.50 0.00 0.00 175.30 174.08 1sta s LEU 36 N 0.34 4.36 0.35 -0.88 1.43 0.08 -3.01 118.68 121.34 1sta s LEU 36 Ca -0.12 2.43 -0.29 0.00 -1.03 0.00 0.00 54.13 55.12 1sta s LEU 36 Cb -0.16 -3.57 -0.11 0.00 0.03 0.00 0.00 46.19 42.38 1sta s LEU 36 CO 0.06 -0.83 1.47 -0.76 0.23 0.00 0.00 176.35 176.53 1sta s LEU 37 N 2.20 4.35 -0.83 1.79 1.43 -0.51 -3.94 118.68 123.17 1sta s LEU 37 Ca 0.71 2.95 0.00 0.00 -1.03 0.00 0.00 54.13 56.76 1sta s LEU 37 Cb -0.39 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.18 1sta s LEU 37 CO 0.31 -0.81 0.00 0.18 0.23 0.00 0.00 176.35 176.26 1sta n LEU 38 N 0.92 -0.23 -4.17 1.79 4.77 -1.26 -4.94 117.00 113.89 1sta n LEU 38 Ca 0.02 0.19 -0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1sta n LEU 38 Cb 0.39 -2.08 -0.10 0.00 -2.33 0.00 0.00 43.42 39.31 1sta n LEU 38 CO 0.63 -0.76 -0.36 0.68 -1.33 0.00 0.00 177.39 176.25 1sta s VAL 39 N -1.95 0.57 -0.07 4.08 -7.23 -1.23 -1.41 120.40 113.18 1sta s VAL 39 Ca 0.00 -1.93 -0.01 0.00 -1.81 0.00 0.00 61.98 58.23 1sta s VAL 39 Cb 0.00 -1.80 0.03 0.00 0.56 0.00 0.00 36.38 35.16 1sta s VAL 39 CO 0.00 -0.75 0.01 -0.62 -0.31 0.00 0.00 175.10 173.43 1sta s ASP 40 N -3.06 1.51 0.43 4.85 2.15 0.17 -4.64 116.67 118.08 1sta s ASP 40 Ca 0.15 -0.06 -0.04 0.00 0.43 0.00 0.00 52.55 53.03 1sta s ASP 40 Cb 0.06 -0.40 -0.04 0.00 -0.30 0.00 0.00 42.92 42.25 1sta s ASP 40 CO -0.03 -0.20 0.71 0.42 -0.17 0.00 0.00 175.17 175.91 1sta s THR 41 N 1.98 4.96 0.60 1.71 -4.23 -1.26 -1.58 115.64 117.81 1sta s THR 41 Ca 0.05 0.06 -0.19 0.00 -1.18 0.00 0.00 61.69 60.42 1sta s THR 41 Cb -0.12 -3.85 -0.03 0.00 1.34 0.00 0.00 72.50 69.84 1sta s THR 41 CO -0.05 -0.73 1.24 -2.84 -0.54 0.00 0.00 174.62 171.71 1sta s PRO 42 N -4.51 2.89 0.28 3.99 0.02 -1.26 -4.90 135.00 131.51 1sta s PRO 42 Ca 0.46 1.92 -0.29 0.00 0.02 0.00 0.00 61.00 63.10 1sta s PRO 42 Cb -0.10 -1.94 -0.10 0.00 0.02 0.00 0.00 34.50 32.38 1sta s PRO 42 CO 0.41 -1.29 1.26 -2.00 -0.33 0.00 0.00 177.00 175.04 1sta s GLU 43 N -3.29 4.43 0.00 5.54 2.56 -1.26 -4.50 118.70 122.18 1sta s GLU 43 Ca 0.78 2.06 0.00 0.00 0.00 0.00 0.00 54.97 57.82 1sta s GLU 43 Cb -0.33 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 32.66 1sta s GLU 43 CO 0.36 -0.11 0.00 0.25 -0.56 0.00 0.00 175.26 175.20 1sta n THR 44 N 1.49 0.00 -0.05 -1.70 -2.24 -1.26 -0.49 114.28 110.03 1sta n THR 44 Ca 0.02 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.43 1sta n THR 44 Cb 0.43 0.80 -0.04 0.00 -2.10 0.00 0.00 70.33 69.42 1sta n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sta n LYS 45 N -0.88 0.28 -2.18 -0.78 4.76 -1.26 -4.66 118.16 113.44 1sta n LYS 45 Ca 0.00 0.12 -0.43 0.00 -2.87 0.00 0.00 58.31 55.13 1sta n LYS 45 Cb 0.00 -0.97 -0.02 0.00 -1.84 0.00 0.00 35.03 32.19 1sta n LYS 45 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1sta s HIS 46 N -2.32 2.31 0.51 2.13 2.46 -1.26 -4.90 115.29 114.21 1sta s HIS 46 Ca -0.17 0.55 0.16 0.00 0.47 0.00 0.00 55.06 56.06 1sta s HIS 46 Cb 0.05 -3.80 1.23 0.00 -0.13 0.00 0.00 32.58 29.94 1sta s HIS 46 CO 0.23 -2.90 2.12 -1.00 -2.47 0.00 0.00 174.74 170.72 1sta h PRO 47 N 9.34 0.07 -0.61 2.88 0.13 -1.94 -1.32 132.00 140.55 1sta h PRO 47 Ca -0.33 -0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.95 1sta h PRO 47 Cb 1.15 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 1sta h PRO 47 CO 0.97 0.05 0.43 -0.22 -0.23 0.00 0.00 178.00 179.00 1sta h LYS 48 N 0.07 0.12 0.00 0.86 1.63 -2.04 -2.97 116.57 114.25 1sta h LYS 48 Ca 0.05 -0.01 -0.23 0.00 -0.85 0.00 0.00 60.65 59.61 1sta h LYS 48 Cb 0.10 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.66 1sta h LYS 48 CO -0.01 0.08 -1.95 1.63 -3.45 0.00 0.00 179.45 175.75 1sta n LYS 49 N -4.40 1.51 -0.15 1.90 5.02 -0.53 -5.11 118.16 116.40 1sta n LYS 49 Ca 0.11 -0.02 0.02 0.00 -2.02 0.00 0.00 58.31 56.40 1sta n LYS 49 Cb 0.60 -1.37 -0.01 0.00 -0.02 0.00 0.00 35.03 34.24 1sta n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sta n GLY 50 N 2.05 -2.19 3.57 0.72 0.00 -1.03 -4.63 105.19 103.69 1sta n GLY 50 Ca -0.21 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 1sta n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sta s VAL 51 N -0.99 4.10 0.54 1.61 1.01 -1.26 -4.33 120.40 121.08 1sta s VAL 51 Ca 0.00 0.78 -0.16 0.00 0.00 0.00 0.00 61.98 62.60 1sta s VAL 51 Cb 0.00 -4.68 -0.07 0.00 0.00 0.00 0.00 36.38 31.63 1sta s VAL 51 CO 0.00 -1.28 1.00 -1.61 0.00 0.00 0.00 175.10 173.21 1sta s GLU 52 N 4.72 3.80 0.25 2.72 2.02 0.36 -4.98 118.70 127.58 1sta s GLU 52 Ca 0.40 0.99 -0.30 0.00 0.02 0.00 0.00 54.97 56.08 1sta s GLU 52 Cb -0.09 -2.11 -0.10 0.00 0.10 0.00 0.00 34.13 31.93 1sta s GLU 52 CO 0.24 -0.40 1.48 0.21 0.02 0.00 0.00 175.26 176.82 1sta s LYS 53 N -4.16 4.23 0.00 1.61 2.20 -1.26 -1.54 119.74 120.82 1sta s LYS 53 Ca 0.59 2.36 0.00 0.00 -0.36 0.00 0.00 55.97 58.57 1sta s LYS 53 Cb -0.11 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 1sta s LYS 53 CO 0.34 -0.48 0.00 0.66 -0.36 0.00 0.00 175.35 175.51 1sta n TYR 54 N 2.49 0.00 0.23 4.03 4.01 -1.26 -4.77 117.16 121.89 1sta n TYR 54 Ca 0.08 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.66 1sta n TYR 54 Cb 0.39 -0.31 -0.08 0.00 -0.31 0.00 0.00 39.34 39.03 1sta n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1sta h GLY 55 N 0.00 -0.61 0.75 2.72 0.00 -1.51 0.11 103.07 104.53 1sta h GLY 55 Ca 0.00 0.25 0.08 0.00 0.00 0.00 0.00 47.33 47.66 1sta h GLY 55 CO 0.00 -0.23 0.61 -2.55 0.00 0.00 0.00 176.54 174.37 1sta h PRO 56 N -0.58 1.03 -0.18 4.80 0.11 -1.88 -1.91 132.00 133.38 1sta h PRO 56 Ca -0.04 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.94 1sta h PRO 56 Cb 0.47 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 1sta h PRO 56 CO 0.05 0.68 -0.12 0.93 -0.21 0.00 0.00 178.00 179.33 1sta h GLU 57 N 1.06 0.40 -0.60 1.05 3.07 -1.88 -1.86 114.58 115.81 1sta h GLU 57 Ca 0.42 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.36 59.08 1sta h GLU 57 Cb 0.25 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.13 1sta h GLU 57 CO -0.17 0.73 0.34 0.00 -1.40 0.00 0.00 179.01 178.50 1sta h ALA 58 N 0.66 0.77 -0.18 3.43 0.00 -0.68 -1.22 119.26 122.04 1sta h ALA 58 Ca 0.04 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1sta h ALA 58 Cb 0.63 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1sta h ALA 58 CO 0.03 0.28 0.05 0.77 0.00 0.00 0.00 179.25 180.39 1sta h SER 59 N 0.82 0.06 -0.73 0.00 0.02 -1.24 -0.68 113.55 111.79 1sta h SER 59 Ca 0.21 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1sta h SER 59 Cb 0.03 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1sta h SER 59 CO -0.04 0.06 0.36 0.00 -1.14 0.00 0.00 176.83 176.07 1sta h ALA 60 N 1.11 1.23 0.37 3.77 0.00 -1.14 -0.21 119.26 124.39 1sta h ALA 60 Ca 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1sta h ALA 60 Cb 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1sta h ALA 60 CO -0.09 0.59 -0.18 0.35 0.00 0.00 0.00 179.25 179.93 1sta h PHE 61 N 1.05 -0.46 -0.43 0.00 3.04 -0.90 -0.23 116.94 119.01 1sta h PHE 61 Ca 0.26 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.21 1sta h PHE 61 Cb 0.11 0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.74 1sta h PHE 61 CO 0.01 -0.25 0.26 1.15 -2.02 0.00 0.00 178.31 177.46 1sta h THR 62 N -0.56 1.06 -0.40 4.41 2.02 -0.82 -2.22 112.91 116.41 1sta h THR 62 Ca -0.05 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 66.99 1sta h THR 62 Cb 0.42 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 1sta h THR 62 CO 0.08 0.10 0.16 0.50 0.37 0.00 0.00 175.52 176.73 1sta h LYS 63 N 0.53 0.32 -0.61 6.66 3.64 -0.83 -1.51 116.57 124.77 1sta h LYS 63 Ca 0.17 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1sta h LYS 63 Cb -0.01 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1sta h LYS 63 CO -0.07 0.22 0.10 0.87 -2.27 0.00 0.00 179.45 178.30 1sta h LYS 64 N 0.33 1.00 -0.00 1.90 1.79 -0.75 0.77 116.57 121.61 1sta h LYS 64 Ca 0.18 -0.27 -0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1sta h LYS 64 Cb 0.13 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1sta h LYS 64 CO -0.16 0.94 0.00 1.98 -1.08 0.00 0.00 179.45 181.13 1sta h MET 65 N 0.91 0.00 -0.05 3.15 4.05 -1.10 -0.93 114.93 120.96 1sta h MET 65 Ca 0.18 -0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.41 1sta h MET 65 Cb 0.42 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 1sta h MET 65 CO 0.01 0.16 -0.78 -0.39 0.23 0.00 0.00 176.91 176.14 1sta h VAL 66 N -0.15 1.40 -0.33 -5.77 -1.51 -1.09 -3.09 116.25 105.71 1sta h VAL 66 Ca 0.00 -2.25 -0.07 0.00 -1.23 0.00 0.00 66.70 63.15 1sta h VAL 66 Cb 0.15 2.21 -0.02 0.00 -2.13 0.00 0.00 31.29 31.50 1sta h VAL 66 CO -0.00 0.67 -0.11 -0.33 -1.23 0.00 0.00 177.57 176.57 1sta h GLU 67 N 0.24 0.57 -0.08 5.19 5.08 -0.72 -2.86 114.58 122.00 1sta h GLU 67 Ca -0.04 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1sta h GLU 67 Cb 1.36 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1sta h GLU 67 CO 0.13 0.67 0.00 0.09 -1.00 0.00 0.00 179.01 178.91 1sta n ASN 68 N -4.20 1.39 -4.77 1.42 3.02 -0.37 -4.92 115.26 106.83 1sta n ASN 68 Ca 0.01 -1.55 -0.38 0.00 -0.03 0.00 0.00 54.58 52.63 1sta n ASN 68 Cb 0.33 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.39 1sta n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sta s ALA 69 N -1.91 3.23 0.13 5.41 0.00 -1.08 -4.94 121.76 122.61 1sta s ALA 69 Ca 0.36 0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.89 1sta s ALA 69 Cb 0.19 -3.19 -0.13 0.00 0.00 0.00 0.00 23.12 19.99 1sta s ALA 69 CO 0.30 0.17 1.29 0.87 0.00 0.00 0.00 175.76 178.39 1sta h LYS 70 N 3.35 0.16 -3.72 0.00 1.57 -1.91 -3.46 116.57 112.57 1sta h LYS 70 Ca -0.46 -0.22 -0.38 0.00 -1.87 0.00 0.00 60.65 57.72 1sta h LYS 70 Cb 1.19 0.07 -0.36 0.00 0.08 0.00 0.00 32.23 33.22 1sta h LYS 70 CO 0.66 1.03 -0.76 0.15 -0.57 0.00 0.00 179.45 179.96 1sta s LYS 71 N -2.93 0.42 -0.23 3.15 1.02 -1.26 -5.04 119.74 114.88 1sta s LYS 71 Ca -0.02 0.09 -0.04 0.00 0.02 0.00 0.00 55.97 56.02 1sta s LYS 71 Cb 0.09 -0.66 -0.01 0.00 -0.52 0.00 0.00 37.83 36.73 1sta s LYS 71 CO 0.84 -0.19 -0.04 0.42 -0.92 0.00 0.00 175.35 175.46 1sta s ILE 72 N 1.36 3.37 0.14 2.17 1.01 -1.26 -1.60 121.20 126.40 1sta s ILE 72 Ca -0.05 -0.54 0.08 0.00 0.00 0.00 0.00 60.65 60.15 1sta s ILE 72 Cb -0.13 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 1sta s ILE 72 CO -0.02 0.39 -0.11 -1.61 0.00 0.00 0.00 174.94 173.59 1sta s GLU 73 N 1.47 2.04 -0.15 2.79 2.02 -0.14 -0.98 118.70 125.74 1sta s GLU 73 Ca 0.05 -1.16 0.01 0.00 0.02 0.00 0.00 54.97 53.89 1sta s GLU 73 Cb -0.15 -2.21 0.00 0.00 0.10 0.00 0.00 34.13 31.88 1sta s GLU 73 CO -0.03 0.47 -0.17 0.08 0.02 0.00 0.00 175.26 175.63 1sta s VAL 74 N -1.43 2.51 -0.17 2.63 1.01 -1.26 -1.25 120.40 122.44 1sta s VAL 74 Ca 0.22 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1sta s VAL 74 Cb -0.10 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.26 1sta s VAL 74 CO 0.14 0.52 -0.15 -0.70 0.00 0.00 0.00 175.10 174.91 1sta s GLU 75 N 0.86 2.44 0.52 2.72 2.12 -0.19 -0.91 118.70 126.26 1sta s GLU 75 Ca -0.05 -0.72 -0.10 0.00 0.36 0.00 0.00 54.97 54.46 1sta s GLU 75 Cb -0.15 -2.33 -0.05 0.00 0.26 0.00 0.00 34.13 31.86 1sta s GLU 75 CO -0.01 -0.28 0.90 -0.06 -0.54 0.00 0.00 175.26 175.27 1sta s PHE 76 N 1.40 3.55 0.00 5.30 0.08 -1.26 -0.33 117.98 126.71 1sta s PHE 76 Ca 0.03 1.14 0.00 0.00 0.12 0.00 0.00 56.93 58.22 1sta s PHE 76 Cb -0.14 -2.56 0.00 0.00 -0.57 0.00 0.00 43.02 39.75 1sta s PHE 76 CO -0.11 -0.39 0.00 -3.47 -0.10 0.00 0.00 175.22 171.15 1sta n ASP 77 N -2.09 0.00 0.14 1.36 -0.08 -1.26 -4.60 116.55 110.02 1sta n ASP 77 Ca 0.04 -0.36 0.08 0.00 -1.51 0.00 0.00 54.79 53.04 1sta n ASP 77 Cb 0.54 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.06 1sta n ASP 77 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1sta h LYS 78 N 0.00 0.00 0.00 -0.67 1.57 -1.96 -3.47 116.57 112.03 1sta h LYS 78 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sta h LYS 78 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1sta h LYS 78 CO 0.00 0.15 0.00 0.41 -0.57 0.00 0.00 179.45 179.44 1sta n GLY 79 N 1.19 1.83 3.76 3.86 0.00 -1.26 -4.98 105.19 109.59 1sta n GLY 79 Ca 0.00 -1.73 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 1sta n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sta s GLN 80 N 4.49 3.76 0.00 1.61 0.00 -1.26 -4.94 119.66 123.33 1sta s GLN 80 Ca 0.00 2.20 0.18 0.00 -0.00 0.00 0.00 55.36 57.74 1sta s GLN 80 Cb 0.00 -2.63 -0.05 0.00 0.00 0.00 0.00 33.01 30.33 1sta s GLN 80 CO 0.00 -0.68 0.87 0.54 0.00 0.00 0.00 175.29 176.02 1sta n ARG 81 N -0.17 1.50 -4.09 9.60 1.74 -1.26 -4.80 116.66 119.17 1sta n ARG 81 Ca 0.05 -0.63 -0.14 0.00 -0.77 0.00 0.00 57.85 56.36 1sta n ARG 81 Cb 0.44 -1.33 -0.12 0.00 -1.02 0.00 0.00 32.46 30.43 1sta n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1sta s THR 82 N -2.22 0.52 0.36 0.55 -4.23 -1.26 -0.13 115.64 109.23 1sta s THR 82 Ca 0.13 -0.85 -0.02 0.00 -1.18 0.00 0.00 61.69 59.77 1sta s THR 82 Cb 0.14 -0.55 0.07 0.00 1.34 0.00 0.00 72.50 73.50 1sta s THR 82 CO 0.52 -0.24 0.49 -0.90 -0.54 0.00 0.00 174.62 173.95 1sta n ASP 83 N 1.87 0.51 0.07 3.99 5.68 0.09 -4.88 116.55 123.88 1sta n ASP 83 Ca -0.20 -1.46 0.09 0.00 -0.50 0.00 0.00 54.79 52.72 1sta n ASP 83 Cb 0.56 -0.33 0.39 0.00 -1.14 0.00 0.00 41.12 40.59 1sta n ASP 83 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1sta n LYS 84 N -1.94 0.10 -0.19 0.11 2.85 -1.26 -1.10 118.16 116.73 1sta n LYS 84 Ca 0.08 0.39 0.09 0.00 -1.05 0.00 0.00 58.31 57.81 1sta n LYS 84 Cb 0.27 -1.71 0.25 0.00 -0.65 0.00 0.00 35.03 33.18 1sta n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1sta n TYR 85 N -1.91 0.50 -1.03 5.58 4.01 -1.26 -4.93 117.16 118.12 1sta n TYR 85 Ca 0.02 -0.25 -0.01 0.00 -0.16 0.00 0.00 57.90 57.50 1sta n TYR 85 Cb 0.17 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.19 1sta n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sta n GLY 86 N 1.23 0.48 3.77 2.72 0.00 -0.26 -5.02 105.19 108.12 1sta n GLY 86 Ca 0.16 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 1sta n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sta s ARG 87 N -0.91 4.26 0.36 1.61 0.52 -1.26 -4.79 118.95 118.73 1sta s ARG 87 Ca 0.00 0.66 -0.29 0.00 -0.52 0.00 0.00 55.73 55.58 1sta s ARG 87 Cb 0.00 -3.33 -0.11 0.00 0.52 0.00 0.00 34.95 32.03 1sta s ARG 87 CO 0.00 0.41 1.51 0.20 0.02 0.00 0.00 175.30 177.45 1sta s GLY 88 N -0.31 2.74 -0.35 -3.53 0.00 0.38 -0.73 107.32 105.52 1sta s GLY 88 Ca 0.29 1.58 -0.05 0.00 0.00 0.00 0.00 44.72 46.54 1sta s GLY 88 CO 0.16 2.33 0.11 1.08 0.00 0.00 0.00 173.10 176.79 1sta s LEU 89 N -1.71 4.45 0.18 0.66 1.43 0.81 -0.34 118.68 124.15 1sta s LEU 89 Ca 0.55 -1.34 -0.09 0.00 -1.03 0.00 0.00 54.13 52.23 1sta s LEU 89 Cb -0.47 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 43.90 1sta s LEU 89 CO 0.60 -0.37 0.29 0.00 0.23 0.00 0.00 176.35 177.10 1sta s ALA 90 N 1.34 0.09 -0.18 4.21 0.00 -1.16 -4.40 121.76 121.65 1sta s ALA 90 Ca -0.01 -0.97 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 1sta s ALA 90 Cb -0.20 0.94 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 1sta s ALA 90 CO 0.01 -0.67 0.26 0.71 0.00 0.00 0.00 175.76 176.07 1sta s TYR 91 N -3.99 3.43 -0.10 0.00 2.02 0.55 -1.42 117.35 117.84 1sta s TYR 91 Ca 0.20 0.52 0.02 0.00 -0.37 0.00 0.00 57.07 57.44 1sta s TYR 91 Cb 0.03 -2.32 -0.02 0.00 -0.40 0.00 0.00 41.96 39.26 1sta s TYR 91 CO 0.02 0.21 -0.16 0.42 -1.57 0.00 0.00 175.55 174.48 1sta s ILE 92 N 0.57 2.87 -0.13 2.71 -1.09 -1.26 -1.02 121.20 123.84 1sta s ILE 92 Ca 0.14 -0.75 0.00 0.00 -2.23 0.00 0.00 60.65 57.82 1sta s ILE 92 Cb -0.13 -2.16 -0.01 0.00 -1.58 0.00 0.00 42.46 38.58 1sta s ILE 92 CO 0.03 0.55 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.84 1sta s TYR 93 N -0.00 2.79 -0.32 3.97 1.51 -0.38 0.21 117.35 125.12 1sta s TYR 93 Ca -0.05 -0.66 0.00 0.00 -1.01 0.00 0.00 57.07 55.35 1sta s TYR 93 Cb -0.14 -1.83 0.07 0.00 -0.11 0.00 0.00 41.96 39.95 1sta s TYR 93 CO 0.04 -0.22 0.03 0.00 -1.11 0.00 0.00 175.55 174.29 1sta s ALA 94 N 0.32 2.85 -1.30 3.71 0.00 0.36 -0.96 121.76 126.74 1sta s ALA 94 Ca -0.11 -2.07 -0.08 0.00 0.00 0.00 0.00 51.96 49.70 1sta s ALA 94 Cb -0.16 -1.96 -0.00 0.00 0.00 0.00 0.00 23.12 20.99 1sta s ALA 94 CO 0.06 -1.44 0.59 -0.25 0.00 0.00 0.00 175.76 174.72 1sta n ASP 95 N 4.50 -2.20 0.00 0.00 8.00 -0.62 -1.41 116.55 124.82 1sta n ASP 95 Ca -0.08 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.43 1sta n ASP 95 Cb 0.42 -3.28 0.00 0.00 -0.02 0.00 0.00 41.12 38.24 1sta n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sta n GLY 96 N -1.83 0.22 3.58 0.44 0.00 -1.26 -4.99 105.19 101.35 1sta n GLY 96 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 1sta n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sta s LYS 97 N -1.12 3.89 -0.03 1.61 1.02 -0.50 -5.04 119.74 119.56 1sta s LYS 97 Ca 0.00 -0.38 -0.30 0.00 0.02 0.00 0.00 55.97 55.31 1sta s LYS 97 Cb 0.00 -3.27 -0.06 0.00 -0.52 0.00 0.00 37.83 33.97 1sta s LYS 97 CO 0.00 0.12 1.70 1.41 -0.92 0.00 0.00 175.35 177.65 1sta s MET 98 N 0.80 4.18 0.19 1.68 1.75 -1.26 -0.49 119.30 126.15 1sta s MET 98 Ca 0.04 2.26 -0.12 0.00 -1.25 0.00 0.00 55.69 56.61 1sta s MET 98 Cb -0.13 -3.98 0.10 0.00 2.84 0.00 0.00 34.83 33.65 1sta s MET 98 CO 0.02 -0.85 1.84 0.28 -0.65 0.00 0.00 175.02 175.66 1sta h VAL 99 N 5.53 1.17 -0.45 10.11 2.07 -0.61 -1.50 116.25 132.58 1sta h VAL 99 Ca -0.41 -0.35 0.08 0.00 0.82 0.00 0.00 66.70 66.84 1sta h VAL 99 Cb 1.19 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 1sta h VAL 99 CO 0.95 0.17 0.04 0.78 0.02 0.00 0.00 177.57 179.53 1sta h ASN 100 N 0.84 -0.11 -0.25 0.57 4.21 -1.91 -1.24 115.58 117.69 1sta h ASN 100 Ca 0.22 0.09 -0.10 0.00 1.21 0.00 0.00 56.30 57.73 1sta h ASN 100 Cb -0.06 0.15 -0.00 0.00 -1.12 0.00 0.00 38.32 37.29 1sta h ASN 100 CO -0.05 -0.02 -0.24 -0.08 -1.29 0.00 0.00 177.43 175.75 1sta h GLU 101 N 0.16 0.60 -0.69 0.81 4.22 -1.89 -2.53 114.58 115.27 1sta h GLU 101 Ca 0.22 -0.32 0.11 0.00 0.08 0.00 0.00 59.36 59.45 1sta h GLU 101 Cb 0.31 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.49 1sta h GLU 101 CO -0.34 0.91 0.30 0.00 -2.18 0.00 0.00 179.01 177.70 1sta h ALA 102 N 0.68 0.93 -0.13 2.92 0.00 -0.70 0.21 119.26 123.18 1sta h ALA 102 Ca 0.04 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1sta h ALA 102 Cb 0.80 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1sta h ALA 102 CO 0.06 -0.14 0.07 -0.07 0.00 0.00 0.00 179.25 179.17 1sta h LEU 103 N 0.50 0.17 -0.61 0.00 3.38 -1.20 -1.73 115.31 115.80 1sta h LEU 103 Ca 0.35 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1sta h LEU 103 Cb 0.43 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1sta h LEU 103 CO -0.31 0.22 0.28 0.58 0.09 0.00 0.00 178.44 179.29 1sta h VAL 104 N 0.10 1.22 -0.14 1.22 2.07 -0.94 -0.20 116.25 119.58 1sta h VAL 104 Ca 0.04 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 1sta h VAL 104 Cb 0.10 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1sta h VAL 104 CO -0.01 0.26 -0.10 -0.09 0.02 0.00 0.00 177.57 177.65 1sta h ARG 105 N 0.84 0.22 0.00 1.57 9.65 -0.46 -1.30 114.38 124.90 1sta h ARG 105 Ca 0.21 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 1sta h ARG 105 Cb 0.15 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 1sta h ARG 105 CO -0.02 0.33 0.00 1.04 2.80 0.00 0.00 179.97 184.12 1sta n GLN 106 N -4.31 0.97 -2.45 0.20 1.13 -0.66 -4.37 117.38 107.89 1sta n GLN 106 Ca -0.01 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 54.89 1sta n GLN 106 Cb 0.24 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.09 1sta n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sta n GLY 107 N 0.96 -0.27 0.30 1.08 0.00 -0.49 -4.44 105.19 102.33 1sta n GLY 107 Ca 0.23 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.15 1sta n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sta n LEU 108 N -2.51 1.45 -3.80 0.99 4.77 -0.11 -1.09 117.00 116.70 1sta n LEU 108 Ca -0.16 -0.73 -0.12 0.00 -0.03 0.00 0.00 56.01 54.97 1sta n LEU 108 Cb 0.63 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.63 1sta n LEU 108 CO 0.26 0.28 -0.04 0.00 -1.33 0.00 0.00 177.39 176.56 1sta s ALA 109 N -1.92 -0.58 0.11 -1.18 0.00 -1.14 -4.33 121.76 112.72 1sta s ALA 109 Ca 0.12 0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.15 1sta s ALA 109 Cb 0.12 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 1sta s ALA 109 CO 0.42 -0.30 0.08 0.15 0.00 0.00 0.00 175.76 176.10 1sta s LYS 110 N -1.87 2.81 -0.07 0.00 1.02 -0.62 -4.39 119.74 116.62 1sta s LYS 110 Ca -0.10 -0.78 -0.30 0.00 0.02 0.00 0.00 55.97 54.81 1sta s LYS 110 Cb -0.04 -2.66 -0.04 0.00 -0.52 0.00 0.00 37.83 34.57 1sta s LYS 110 CO 0.00 0.53 1.43 0.08 -0.92 0.00 0.00 175.35 176.48 1sta s VAL 111 N -1.49 3.87 0.22 3.17 1.01 -1.26 -0.66 120.40 125.27 1sta s VAL 111 Ca 0.29 1.13 -0.10 0.00 0.00 0.00 0.00 61.98 63.29 1sta s VAL 111 Cb -0.11 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1sta s VAL 111 CO 0.22 -0.07 0.39 0.00 0.00 0.00 0.00 175.10 175.64 1sta s ALA 112 N 3.31 0.01 -1.44 5.51 0.00 -0.50 -4.87 121.76 123.78 1sta s ALA 112 Ca 0.64 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 51.53 1sta s ALA 112 Cb -0.29 1.08 0.05 0.00 0.00 0.00 0.00 23.12 23.97 1sta s ALA 112 CO 0.23 -0.78 0.85 0.66 0.00 0.00 0.00 175.76 176.73 1sta n TYR 113 N -0.34 -2.14 -2.63 0.00 4.01 -1.26 -3.47 117.16 111.33 1sta n TYR 113 Ca -0.02 0.88 -0.43 0.00 -0.16 0.00 0.00 57.90 58.17 1sta n TYR 113 Cb 0.63 -4.16 -0.02 0.00 -0.31 0.00 0.00 39.34 35.47 1sta n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1sta s VAL 114 N -3.47 4.17 -0.22 -0.72 1.01 -1.26 -4.57 120.40 115.34 1sta s VAL 114 Ca 0.37 0.99 0.02 0.00 0.00 0.00 0.00 61.98 63.36 1sta s VAL 114 Cb -0.19 -4.63 0.04 0.00 0.00 0.00 0.00 36.38 31.60 1sta s VAL 114 CO 0.82 -1.13 -0.15 -0.31 0.00 0.00 0.00 175.10 174.33 1sta s TYR 115 N 4.55 3.00 0.56 5.22 2.02 -1.26 -5.08 117.35 126.35 1sta s TYR 115 Ca 0.44 -1.92 -0.21 0.00 -0.37 0.00 0.00 57.07 55.01 1sta s TYR 115 Cb -0.08 -1.93 -0.04 0.00 -0.40 0.00 0.00 41.96 39.51 1sta s TYR 115 CO 0.28 -0.83 1.30 0.15 -1.57 0.00 0.00 175.55 174.88 1sta s LYS 116 N 1.21 3.07 0.00 -0.62 1.02 -1.26 -0.60 119.74 122.57 1sta s LYS 116 Ca -0.01 2.08 0.08 0.00 0.02 0.00 0.00 55.97 58.13 1sta s LYS 116 Cb -0.16 -2.14 0.30 0.00 -0.52 0.00 0.00 37.83 35.31 1sta s LYS 116 CO -0.09 -1.20 1.22 -0.35 -0.92 0.00 0.00 175.35 174.01 1sta n PRO 117 N -1.23 1.32 -2.01 -1.68 -0.04 -1.26 -4.97 135.00 125.13 1sta n PRO 117 Ca 0.12 -0.50 -0.41 0.00 -0.04 0.00 0.00 63.50 62.66 1sta n PRO 117 Cb 0.47 -1.16 -0.00 0.00 -0.04 0.00 0.00 33.50 32.77 1sta n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1sta n ASN 118 N -0.13 5.83 -1.07 3.54 3.02 0.23 -4.31 115.26 122.37 1sta n ASN 118 Ca 0.07 -3.00 0.02 0.00 -0.03 0.00 0.00 54.58 51.64 1sta n ASN 118 Cb 0.13 -1.50 0.01 0.00 -0.61 0.00 0.00 39.78 37.81 1sta n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1sta n ASN 119 N 3.89 0.54 -0.37 6.41 6.94 -1.26 -4.37 115.26 127.05 1sta n ASN 119 Ca 0.51 -1.99 0.02 0.00 -0.02 0.00 0.00 54.58 53.10 1sta n ASN 119 Cb 0.33 -0.25 0.16 0.00 -2.36 0.00 0.00 39.78 37.67 1sta n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 1sta h THR 120 N 6.95 1.12 -0.59 5.53 2.02 -1.97 -2.06 112.91 123.91 1sta h THR 120 Ca -0.14 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1sta h THR 120 Cb 1.68 -0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1sta h THR 120 CO 0.05 0.22 0.00 1.41 0.37 0.00 0.00 175.52 177.57 1sta n HIS 121 N -4.47 1.14 -0.36 3.16 8.25 -1.26 -4.54 115.22 117.14 1sta n HIS 121 Ca 0.15 -0.49 0.03 0.00 -0.26 0.00 0.00 57.72 57.15 1sta n HIS 121 Cb 0.15 -0.14 0.18 0.00 1.12 0.00 0.00 29.99 31.30 1sta n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1sta h GLU 122 N 3.63 1.09 -0.04 -0.41 4.81 -1.74 -0.81 114.58 121.12 1sta h GLU 122 Ca 0.00 -0.07 -0.24 0.00 -0.13 0.00 0.00 59.36 58.93 1sta h GLU 122 Cb 1.13 -0.25 0.01 0.00 0.63 0.00 0.00 28.75 30.28 1sta h GLU 122 CO 0.13 0.72 -0.93 1.96 -0.73 0.00 0.00 179.01 180.17 1sta h GLN 123 N 1.13 0.58 -0.25 1.92 7.50 -1.81 0.69 115.11 124.87 1sta h GLN 123 Ca 0.44 -0.58 0.05 0.00 0.50 0.00 0.00 58.65 59.05 1sta h GLN 123 Cb 0.21 0.15 -0.04 0.00 0.05 0.00 0.00 27.48 27.85 1sta h GLN 123 CO -0.19 1.20 -0.03 1.25 -1.50 0.00 0.00 178.83 179.56 1sta h HIS 124 N 0.35 -0.08 -0.54 2.96 -0.00 -1.76 -0.24 115.15 115.84 1sta h HIS 124 Ca -0.09 0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.20 1sta h HIS 124 Cb 1.56 0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 29.02 1sta h HIS 124 CO 0.08 -0.08 -0.08 -0.07 -0.00 0.00 0.00 177.93 177.78 1sta h LEU 125 N 0.03 0.99 -0.97 0.26 3.38 -1.05 -2.10 115.31 115.85 1sta h LEU 125 Ca 0.12 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1sta h LEU 125 Cb 0.17 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1sta h LEU 125 CO -0.23 1.08 0.20 0.03 0.09 0.00 0.00 178.44 179.61 1sta h ARG 126 N 0.89 0.94 -0.68 1.13 3.08 -0.52 -0.45 114.38 118.77 1sta h ARG 126 Ca 0.15 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1sta h ARG 126 Cb 0.63 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1sta h ARG 126 CO 0.04 0.81 0.45 0.87 -1.07 0.00 0.00 179.97 181.07 1sta h LYS 127 N 0.91 0.90 -0.76 0.04 1.57 -0.84 -0.81 116.57 117.58 1sta h LYS 127 Ca 0.20 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1sta h LYS 127 Cb 0.26 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1sta h LYS 127 CO -0.01 0.60 0.32 0.77 -0.57 0.00 0.00 179.45 180.56 1sta h SER 128 N 0.92 1.03 -0.86 0.86 0.02 -0.94 -2.17 113.55 112.41 1sta h SER 128 Ca 0.25 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1sta h SER 128 Cb -0.10 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.13 1sta h SER 128 CO -0.05 0.90 0.48 -0.08 -1.14 0.00 0.00 176.83 176.93 1sta h GLU 129 N 1.10 1.19 -0.77 3.45 4.81 -0.70 -1.17 114.58 122.49 1sta h GLU 129 Ca 0.26 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1sta h GLU 129 Cb 0.18 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1sta h GLU 129 CO -0.03 0.87 0.48 0.00 -0.73 0.00 0.00 179.01 179.60 1sta h ALA 130 N 1.26 0.98 -0.24 2.92 0.00 -0.88 0.15 119.26 123.44 1sta h ALA 130 Ca 0.30 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1sta h ALA 130 Cb 0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1sta h ALA 130 CO -0.05 0.43 -0.04 0.37 0.00 0.00 0.00 179.25 179.96 1sta h GLN 131 N 1.05 0.46 -0.83 0.00 5.75 -1.11 0.32 115.11 120.76 1sta h GLN 131 Ca 0.28 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1sta h GLN 131 Cb -0.06 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.42 1sta h GLN 131 CO -0.05 0.67 0.52 0.00 -2.65 0.00 0.00 178.83 177.32 1sta h ALA 132 N 0.77 1.05 -0.12 3.38 0.00 -0.93 0.49 119.26 123.91 1sta h ALA 132 Ca 0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1sta h ALA 132 Cb 0.49 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1sta h ALA 132 CO 0.02 0.49 0.01 0.87 0.00 0.00 0.00 179.25 180.65 1sta h LYS 133 N 1.13 0.21 0.00 0.00 1.57 -0.61 -0.95 116.57 117.91 1sta h LYS 133 Ca 0.30 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1sta h LYS 133 Cb -0.08 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1sta h LYS 133 CO -0.06 0.42 -0.06 1.57 -0.57 0.00 0.00 179.45 180.75 1sta h LYS 134 N -0.04 0.00 -0.01 3.15 2.10 -0.62 0.69 116.57 121.85 1sta h LYS 134 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1sta h LYS 134 Cb 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 1sta h LYS 134 CO 0.00 0.06 -0.06 0.39 -2.00 0.00 0.00 179.45 177.84 1sta n GLU 135 N -3.27 1.05 -3.81 0.07 1.02 0.14 -4.95 120.64 110.89 1sta n GLU 135 Ca -0.01 -0.40 -0.25 0.00 -0.02 0.00 0.00 57.16 56.48 1sta n GLU 135 Cb 0.25 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.20 1sta n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1sta n LYS 136 N -0.62 -4.84 -3.04 3.49 5.02 0.23 -4.95 118.16 113.45 1sta n LYS 136 Ca 0.18 0.58 -0.40 0.00 -2.02 0.00 0.00 58.31 56.65 1sta n LYS 136 Cb 0.26 -5.18 -0.05 0.00 -0.02 0.00 0.00 35.03 30.04 1sta n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sta s LEU 137 N -6.91 4.24 0.00 -0.35 1.43 -0.47 -3.47 118.68 113.15 1sta s LEU 137 Ca 0.21 1.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.40 1sta s LEU 137 Cb -0.11 -3.06 0.00 0.00 0.03 0.00 0.00 46.19 43.06 1sta s LEU 137 CO 0.83 -0.21 0.00 0.59 0.23 0.00 0.00 176.35 177.79 1sta n ASN 138 N 4.38 0.00 -0.26 2.29 3.02 -1.26 -0.65 115.26 122.78 1sta n ASN 138 Ca -0.00 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.68 1sta n ASN 138 Cb 0.50 0.00 0.40 0.00 -0.61 0.00 0.00 39.78 40.07 1sta n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1sta h ILE 139 N 0.00 0.81 -0.41 2.41 2.04 -1.41 -0.83 117.51 120.12 1sta h ILE 139 Ca 0.00 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1sta h ILE 139 Cb 0.00 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1sta h ILE 139 CO 0.00 0.12 0.00 0.79 0.00 0.00 0.00 178.15 179.06 1sta n TRP 140 N -4.56 0.77 1.84 1.37 7.02 0.18 -5.13 117.44 118.92 1sta n TRP 140 Ca 0.17 -0.33 0.15 0.00 -1.02 0.00 0.00 57.50 56.47 1sta n TRP 140 Cb 0.50 -0.10 0.87 0.00 -2.42 0.00 0.00 31.31 30.16 1sta n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54