#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s57 s MET 80 N 0.00 4.34 0.16 4.33 0.23 -1.26 -5.08 119.30 122.03 1s57 s MET 80 Ca 0.00 0.51 0.04 0.00 -1.03 0.00 0.00 55.69 55.21 1s57 s MET 80 Cb 0.00 -3.43 -0.04 0.00 -1.53 0.00 0.00 34.83 29.84 1s57 s MET 80 CO 0.00 0.17 0.23 -2.00 -2.03 0.00 0.00 175.02 171.40 1s57 s GLU 81 N 0.55 3.23 0.71 3.16 2.12 -1.26 -5.11 118.70 122.10 1s57 s GLU 81 Ca 0.27 -0.72 -0.11 0.00 0.36 0.00 0.00 54.97 54.77 1s57 s GLU 81 Cb -0.16 -2.83 0.01 0.00 0.26 0.00 0.00 34.13 31.42 1s57 s GLU 81 CO 0.12 0.50 1.08 -0.51 -0.54 0.00 0.00 175.26 175.90 1s57 s ASP 82 N -3.27 5.40 0.36 -1.70 1.01 -1.26 -4.96 116.67 112.24 1s57 s ASP 82 Ca 0.33 1.29 -0.28 0.00 0.71 0.00 0.00 52.55 54.60 1s57 s ASP 82 Cb -0.10 -2.14 -0.10 0.00 1.01 0.00 0.00 42.92 41.59 1s57 s ASP 82 CO 0.27 -1.39 1.30 -0.69 0.21 0.00 0.00 175.17 174.86 1s57 s VAL 83 N -3.24 2.71 0.31 -1.27 1.01 -1.26 -4.44 120.40 114.23 1s57 s VAL 83 Ca 0.58 0.69 0.10 0.00 0.00 0.00 0.00 61.98 63.35 1s57 s VAL 83 Cb -0.12 -3.42 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 1s57 s VAL 83 CO 0.53 0.14 -0.13 -0.70 0.00 0.00 0.00 175.10 174.94 1s57 s GLU 84 N -1.96 1.75 0.00 2.72 2.12 0.09 -4.90 118.70 118.52 1s57 s GLU 84 Ca 0.52 -1.86 0.03 0.00 0.36 0.00 0.00 54.97 54.01 1s57 s GLU 84 Cb -0.39 -1.70 -0.01 0.00 0.26 0.00 0.00 34.13 32.30 1s57 s GLU 84 CO 0.51 0.21 -0.09 -1.21 -0.54 0.00 0.00 175.26 174.14 1s57 s GLU 85 N -3.58 0.72 0.05 4.30 8.01 -1.26 -0.65 118.70 126.29 1s57 s GLU 85 Ca 0.31 -0.38 0.01 0.00 0.01 0.00 0.00 54.97 54.92 1s57 s GLU 85 Cb -0.00 -0.69 -0.03 0.00 -4.31 0.00 0.00 34.13 29.10 1s57 s GLU 85 CO 0.16 0.18 -0.05 -0.08 0.01 0.00 0.00 175.26 175.48 1s57 s THR 86 N -0.34 0.40 -0.23 3.63 -1.32 0.09 -4.23 115.64 113.63 1s57 s THR 86 Ca 0.02 -1.33 -0.11 0.00 -1.21 0.00 0.00 61.69 59.07 1s57 s THR 86 Cb -0.04 -0.88 -0.05 0.00 -1.51 0.00 0.00 72.50 70.02 1s57 s THR 86 CO -0.00 -0.62 0.18 -0.47 -2.21 0.00 0.00 174.62 171.50 1s57 s TYR 87 N -2.28 3.34 -0.08 9.09 5.04 -1.26 -1.51 117.35 129.69 1s57 s TYR 87 Ca -0.04 0.28 0.03 0.00 -2.44 0.00 0.00 57.07 54.90 1s57 s TYR 87 Cb -0.04 -2.27 0.00 0.00 0.35 0.00 0.00 41.96 40.00 1s57 s TYR 87 CO -0.03 0.10 -0.19 0.42 -1.34 0.00 0.00 175.55 174.51 1s57 s ILE 88 N 0.95 1.68 -0.05 3.14 1.01 -0.58 -1.37 121.20 125.98 1s57 s ILE 88 Ca 0.09 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.96 1s57 s ILE 88 Cb -0.13 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 40.87 1s57 s ILE 88 CO 0.04 0.48 -0.14 -0.32 0.00 0.00 0.00 174.94 175.00 1s57 s MET 89 N 0.42 1.67 -0.40 2.79 -2.45 0.44 -0.89 119.30 120.88 1s57 s MET 89 Ca -0.16 -0.47 -0.22 0.00 -1.25 0.00 0.00 55.69 53.60 1s57 s MET 89 Cb -0.17 -1.41 0.01 0.00 1.25 0.00 0.00 34.83 34.52 1s57 s MET 89 CO 0.06 0.11 0.71 0.08 1.05 0.00 0.00 175.02 177.03 1s57 s VAL 90 N 0.41 4.78 0.98 10.11 1.01 -0.14 -0.59 120.40 136.96 1s57 s VAL 90 Ca -0.10 0.51 -0.12 0.00 0.00 0.00 0.00 61.98 62.27 1s57 s VAL 90 Cb -0.14 -4.20 0.18 0.00 0.00 0.00 0.00 36.38 32.23 1s57 s VAL 90 CO 0.03 -0.50 1.08 -0.54 0.00 0.00 0.00 175.10 175.17 1s57 s LYS 91 N 2.97 0.53 0.35 2.72 1.02 0.68 -1.82 119.74 126.19 1s57 s LYS 91 Ca 0.27 0.79 0.15 0.00 0.02 0.00 0.00 55.97 57.20 1s57 s LYS 91 Cb -0.13 -1.73 1.05 0.00 -0.52 0.00 0.00 37.83 36.50 1s57 s LYS 91 CO 0.18 -2.73 1.71 -1.35 -0.92 0.00 0.00 175.35 172.24 1s57 h PRO 92 N -1.90 0.40 0.00 -1.68 0.11 -1.85 0.63 132.00 127.71 1s57 h PRO 92 Ca -0.53 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.51 1s57 h PRO 92 Cb 1.31 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1s57 h PRO 92 CO 0.54 0.27 -0.21 0.38 -0.21 0.00 0.00 178.00 178.76 1s57 h ASP 93 N 0.41 0.00 -0.19 -2.05 2.03 -1.89 -2.15 116.42 112.59 1s57 h ASP 93 Ca 0.68 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.85 1s57 h ASP 93 Cb 1.55 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 40.04 1s57 h ASP 93 CO -0.47 0.21 -0.34 1.23 -1.03 0.00 0.00 179.24 178.83 1s57 h GLY 94 N 0.75 0.76 0.72 7.15 0.00 -1.07 -1.46 103.07 109.91 1s57 h GLY 94 Ca -0.00 -0.72 -0.06 0.00 0.00 0.00 0.00 47.33 46.55 1s57 h GLY 94 CO 0.03 0.66 -0.14 -2.22 0.00 0.00 0.00 176.54 174.87 1s57 h ILE 95 N 0.59 1.35 -0.57 2.60 5.03 -1.44 -0.85 117.51 124.22 1s57 h ILE 95 Ca 0.06 -1.31 0.05 0.00 -0.12 0.00 0.00 64.86 63.55 1s57 h ILE 95 Cb 0.86 1.93 -0.03 0.00 -3.03 0.00 0.00 36.82 36.55 1s57 h ILE 95 CO 0.07 0.38 0.38 1.56 -0.68 0.00 0.00 178.15 179.86 1s57 h GLN 96 N -0.07 0.54 -0.02 2.37 1.08 -1.32 -1.53 115.11 116.16 1s57 h GLN 96 Ca 0.02 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1s57 h GLN 96 Cb 0.67 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1s57 h GLN 96 CO 0.03 0.36 0.00 0.54 -0.95 0.00 0.00 178.83 178.81 1s57 n ARG 97 N -4.47 1.67 -3.25 1.46 1.74 -0.56 -4.96 116.66 108.28 1s57 n ARG 97 Ca 0.08 -0.97 -0.16 0.00 -0.77 0.00 0.00 57.85 56.03 1s57 n ARG 97 Cb 0.22 -1.48 0.07 0.00 -1.02 0.00 0.00 32.46 30.25 1s57 n ARG 97 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s57 n GLY 98 N 1.17 -0.23 0.68 -0.13 0.00 -0.58 -4.94 105.19 101.17 1s57 n GLY 98 Ca 0.19 0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.30 1s57 n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s57 n LEU 99 N -3.78 2.78 0.03 0.99 4.77 -0.37 -4.68 117.00 116.73 1s57 n LEU 99 Ca -0.13 -1.68 -0.10 0.00 -0.03 0.00 0.00 56.01 54.07 1s57 n LEU 99 Cb 0.60 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 1s57 n LEU 99 CO 0.50 0.65 0.76 0.58 -1.33 0.00 0.00 177.39 178.55 1s57 h VAL 100 N 2.46 0.60 -0.47 4.08 2.07 -1.91 -1.30 116.25 121.79 1s57 h VAL 100 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1s57 h VAL 100 Cb 0.70 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1s57 h VAL 100 CO 0.00 0.00 0.18 1.23 0.02 0.00 0.00 177.57 179.00 1s57 h GLY 101 N -0.23 0.75 0.74 2.17 0.00 -1.96 -2.25 103.07 102.30 1s57 h GLY 101 Ca 0.07 -0.41 0.05 0.00 0.00 0.00 0.00 47.33 47.04 1s57 h GLY 101 CO -0.19 0.39 0.39 -2.09 0.00 0.00 0.00 176.54 175.04 1s57 h GLU 102 N 0.61 0.72 -0.34 4.80 4.81 -1.81 -0.11 114.58 123.25 1s57 h GLU 102 Ca 0.16 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1s57 h GLU 102 Cb 0.20 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1s57 h GLU 102 CO -0.01 0.47 -0.08 0.82 -0.73 0.00 0.00 179.01 179.48 1s57 h ILE 103 N 0.74 1.28 -0.58 2.32 2.04 -1.12 -2.51 117.51 119.69 1s57 h ILE 103 Ca 0.29 -1.14 0.01 0.00 1.00 0.00 0.00 64.86 65.01 1s57 h ILE 103 Cb 0.13 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1s57 h ILE 103 CO -0.16 0.37 0.38 0.40 0.00 0.00 0.00 178.15 179.15 1s57 h ILE 104 N 0.45 1.15 -0.54 -0.67 2.04 -1.01 -2.57 117.51 116.36 1s57 h ILE 104 Ca 0.09 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1s57 h ILE 104 Cb 0.59 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1s57 h ILE 104 CO 0.03 0.14 0.35 0.28 0.00 0.00 0.00 178.15 178.96 1s57 h SER 105 N 0.78 0.62 -0.69 1.72 0.02 -0.88 -0.26 113.55 114.86 1s57 h SER 105 Ca 0.21 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1s57 h SER 105 Cb -0.09 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.26 1s57 h SER 105 CO -0.05 0.45 0.45 0.03 -1.14 0.00 0.00 176.83 176.58 1s57 h ARG 106 N 0.73 0.88 0.04 3.45 3.08 -1.03 0.23 114.38 121.76 1s57 h ARG 106 Ca 0.20 -0.05 -0.24 0.00 0.07 0.00 0.00 59.98 59.96 1s57 h ARG 106 Cb -0.08 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.77 1s57 h ARG 106 CO -0.04 0.58 -1.02 0.74 -1.07 0.00 0.00 179.97 179.16 1s57 h PHE 107 N 0.90 0.55 -0.16 3.04 0.04 -1.39 -2.23 116.94 117.69 1s57 h PHE 107 Ca 0.26 -0.33 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 1s57 h PHE 107 Cb -0.06 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 1s57 h PHE 107 CO -0.03 1.17 0.05 0.93 -0.60 0.00 0.00 178.31 179.84 1s57 h GLU 108 N 0.17 0.25 -0.39 1.51 5.08 -0.75 -2.86 114.58 117.60 1s57 h GLU 108 Ca -0.09 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1s57 h GLU 108 Cb 1.68 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.87 1s57 h GLU 108 CO 0.17 0.36 0.13 0.87 -1.00 0.00 0.00 179.01 179.54 1s57 h LYS 109 N 0.09 0.55 -0.40 2.33 1.79 -0.59 -1.96 116.57 118.37 1s57 h LYS 109 Ca 0.05 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1s57 h LYS 109 Cb 0.21 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 1s57 h LYS 109 CO -0.00 0.48 0.22 -0.22 -1.08 0.00 0.00 179.45 178.85 1s57 h LYS 110 N 0.55 0.55 0.00 3.15 1.63 -1.19 -3.47 116.57 117.79 1s57 h LYS 110 Ca 0.13 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1s57 h LYS 110 Cb 0.15 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1s57 h LYS 110 CO -0.01 0.41 0.00 0.41 -3.45 0.00 0.00 179.45 176.81 1s57 n GLY 111 N -1.34 1.34 3.91 5.01 0.00 -0.74 -5.10 105.19 108.27 1s57 n GLY 111 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1s57 n GLY 111 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s57 s PHE 112 N -2.00 3.41 -0.23 1.61 0.08 -1.14 -5.05 117.98 114.66 1s57 s PHE 112 Ca 0.00 0.75 -0.10 0.00 0.12 0.00 0.00 56.93 57.70 1s57 s PHE 112 Cb 0.00 -2.54 -0.05 0.00 -0.57 0.00 0.00 43.02 39.86 1s57 s PHE 112 CO 0.00 -0.57 0.14 0.21 -0.10 0.00 0.00 175.22 174.90 1s57 s LYS 113 N -4.89 4.07 -0.22 0.44 2.20 -0.58 -4.67 119.74 116.09 1s57 s LYS 113 Ca 0.51 -0.28 -0.25 0.00 -0.36 0.00 0.00 55.97 55.59 1s57 s LYS 113 Cb -0.10 -3.48 -0.01 0.00 -1.51 0.00 0.00 37.83 32.73 1s57 s LYS 113 CO 0.45 0.11 0.84 -1.17 -0.36 0.00 0.00 175.35 175.23 1s57 s LEU 114 N 0.90 4.10 0.00 5.43 2.96 -1.26 -0.49 118.68 130.31 1s57 s LEU 114 Ca 0.07 1.09 0.00 0.00 -0.22 0.00 0.00 54.13 55.07 1s57 s LEU 114 Cb -0.13 -3.22 0.00 0.00 0.50 0.00 0.00 46.19 43.34 1s57 s LEU 114 CO 0.03 -0.50 0.46 2.30 -1.32 0.00 0.00 176.35 177.32 1s57 n ILE 115 N 5.14 0.05 -3.66 6.68 -5.35 -0.10 -4.97 119.36 117.15 1s57 n ILE 115 Ca 0.06 -0.46 -0.10 0.00 -0.27 0.00 0.00 62.75 61.98 1s57 n ILE 115 Cb 0.48 1.11 -0.08 0.00 -1.74 0.00 0.00 39.64 39.40 1s57 n ILE 115 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1s57 s GLY 116 N -0.05 -0.51 -0.26 3.28 0.00 -1.04 0.11 107.32 108.85 1s57 s GLY 116 Ca 0.00 1.98 -0.19 0.00 0.00 0.00 0.00 44.72 46.51 1s57 s GLY 116 CO 0.00 1.91 0.67 -2.27 0.00 0.00 0.00 173.10 173.41 1s57 s LEU 117 N 1.08 -0.76 -0.26 0.66 2.96 -1.26 -1.17 118.68 119.94 1s57 s LEU 117 Ca -0.06 1.42 -0.26 0.00 -0.22 0.00 0.00 54.13 55.01 1s57 s LEU 117 Cb -0.05 2.31 0.13 0.00 0.50 0.00 0.00 46.19 49.08 1s57 s LEU 117 CO -0.10 -0.24 1.07 -1.59 -1.32 0.00 0.00 176.35 174.17 1s57 s LYS 118 N 1.08 0.48 0.05 1.98 -2.85 -0.58 -4.99 119.74 114.91 1s57 s LYS 118 Ca -0.06 0.44 -0.27 0.00 -1.00 0.00 0.00 55.97 55.09 1s57 s LYS 118 Cb -0.05 0.23 -0.05 0.00 -2.06 0.00 0.00 37.83 35.90 1s57 s LYS 118 CO -0.11 -0.08 0.83 1.41 0.10 0.00 0.00 175.35 177.51 1s57 s MET 119 N -0.11 4.55 -0.00 1.78 -2.45 -1.26 -0.56 119.30 121.25 1s57 s MET 119 Ca 0.03 1.19 -0.04 0.00 -1.25 0.00 0.00 55.69 55.62 1s57 s MET 119 Cb -0.04 -3.38 -0.00 0.00 1.25 0.00 0.00 34.83 32.65 1s57 s MET 119 CO -0.05 0.21 0.07 0.12 1.05 0.00 0.00 175.02 176.42 1s57 s PHE 120 N 0.14 0.06 -0.43 4.11 5.36 0.84 -4.95 117.98 123.11 1s57 s PHE 120 Ca 0.42 -0.12 -0.09 0.00 -0.96 0.00 0.00 56.93 56.18 1s57 s PHE 120 Cb -0.21 -0.06 0.09 0.00 -0.34 0.00 0.00 43.02 42.50 1s57 s PHE 120 CO 0.25 -0.17 0.28 -1.14 -1.46 0.00 0.00 175.22 172.98 1s57 s GLN 121 N -0.89 2.58 -0.07 10.12 2.00 -1.26 -0.71 119.66 131.44 1s57 s GLN 121 Ca -0.10 -1.53 -0.30 0.00 -2.00 0.00 0.00 55.36 51.43 1s57 s GLN 121 Cb -0.06 -3.83 -0.06 0.00 0.80 0.00 0.00 33.01 29.87 1s57 s GLN 121 CO 0.00 -1.02 1.70 0.00 -0.50 0.00 0.00 175.29 175.48 1s57 s PRO 123 N 4.22 4.10 0.28 0.00 0.04 -1.26 -4.73 135.00 137.64 1s57 s PRO 123 Ca 0.76 1.70 0.02 0.00 0.04 0.00 0.00 61.00 63.52 1s57 s PRO 123 Cb -0.33 -2.62 0.62 0.00 0.04 0.00 0.00 34.50 32.20 1s57 s PRO 123 CO 0.31 -0.25 1.78 -0.22 0.04 0.00 0.00 177.00 178.66 1s57 h LYS 124 N 2.58 0.72 -0.78 4.56 3.64 -1.96 -1.21 116.57 124.13 1s57 h LYS 124 Ca -0.48 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 58.86 1s57 h LYS 124 Cb 1.23 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 1s57 h LYS 124 CO 0.62 0.47 0.51 1.05 -2.27 0.00 0.00 179.45 179.84 1s57 h GLU 125 N 0.74 1.02 -0.17 1.90 9.09 -2.00 -1.38 114.58 123.78 1s57 h GLU 125 Ca 0.51 -0.06 -0.10 0.00 0.05 0.00 0.00 59.36 59.76 1s57 h GLU 125 Cb 0.72 -0.23 -0.00 0.00 -1.65 0.00 0.00 28.75 27.59 1s57 h GLU 125 CO -0.35 0.68 -0.29 1.25 0.05 0.00 0.00 179.01 180.34 1s57 h LEU 126 N 1.05 0.55 -0.97 3.06 6.46 -1.62 -2.70 115.31 121.15 1s57 h LEU 126 Ca 0.28 -0.54 0.09 0.00 -0.12 0.00 0.00 57.88 57.60 1s57 h LEU 126 Cb -0.12 -0.16 -0.08 0.00 -0.73 0.00 0.00 40.66 39.58 1s57 h LEU 126 CO -0.06 0.98 0.61 0.00 -0.62 0.00 0.00 178.44 179.35 1s57 h ALA 127 N 0.59 1.40 -0.71 1.25 0.00 -1.00 0.81 119.26 121.59 1s57 h ALA 127 Ca 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1s57 h ALA 127 Cb 0.88 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1s57 h ALA 127 CO 0.07 0.29 0.38 0.93 0.00 0.00 0.00 179.25 180.91 1s57 h GLU 128 N 1.03 1.01 -0.26 0.00 5.08 -1.14 -1.89 114.58 118.40 1s57 h GLU 128 Ca 0.45 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.53 1s57 h GLU 128 Cb 0.33 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1s57 h GLU 128 CO -0.22 0.76 -0.45 0.93 -1.00 0.00 0.00 179.01 179.03 1s57 h GLU 129 N 0.99 0.68 -0.06 2.33 4.39 -0.91 -2.03 114.58 119.96 1s57 h GLU 129 Ca 0.25 -0.37 0.01 0.00 0.34 0.00 0.00 59.36 59.58 1s57 h GLU 129 Cb 0.06 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1s57 h GLU 129 CO -0.04 0.99 0.00 1.25 -1.16 0.00 0.00 179.01 180.05 1s57 h HIS 130 N 0.54 0.00 -0.37 4.33 2.76 -0.57 -2.65 115.15 119.19 1s57 h HIS 130 Ca 0.03 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 1s57 h HIS 130 Cb 0.99 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.95 1s57 h HIS 130 CO 0.05 -0.00 0.02 0.66 -1.30 0.00 0.00 177.93 177.36 1s57 n TYR 131 N -5.10 1.32 -0.26 5.26 4.01 -0.74 -4.61 117.16 117.05 1s57 n TYR 131 Ca -0.06 -0.50 0.20 0.00 -0.16 0.00 0.00 57.90 57.39 1s57 n TYR 131 Cb 0.05 -0.37 0.52 0.00 -0.31 0.00 0.00 39.34 39.22 1s57 n TYR 131 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1s57 h LYS 132 N 2.36 0.38 0.00 -0.72 2.10 -0.98 -0.38 116.57 119.33 1s57 h LYS 132 Ca 0.02 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1s57 h LYS 132 Cb 1.46 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 1s57 h LYS 132 CO 0.33 0.25 0.00 -0.25 -2.00 0.00 0.00 179.45 177.78 1s57 n ASP 133 N -4.52 0.04 -0.42 7.07 10.43 -1.26 -2.25 116.55 125.65 1s57 n ASP 133 Ca 0.20 0.51 0.06 0.00 2.57 0.00 0.00 54.79 58.13 1s57 n ASP 133 Cb 0.74 -0.52 0.13 0.00 1.84 0.00 0.00 41.12 43.31 1s57 n ASP 133 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1s57 n LEU 134 N -1.55 2.79 0.28 0.64 4.77 -0.16 -4.74 117.00 119.03 1s57 n LEU 134 Ca 0.03 -2.44 0.18 0.00 -0.03 0.00 0.00 56.01 53.75 1s57 n LEU 134 Cb 0.17 -0.28 0.95 0.00 -2.33 0.00 0.00 43.42 41.94 1s57 n LEU 134 CO 0.14 0.65 1.15 0.77 -1.33 0.00 0.00 177.39 178.77 1s57 h SER 135 N 1.04 0.00 0.64 -1.43 4.64 -1.42 -0.83 113.55 116.19 1s57 h SER 135 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s57 h SER 135 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1s57 h SER 135 CO 0.05 0.00 -0.58 0.00 -0.87 0.00 0.00 176.83 175.43 1s57 n ALA 136 N -2.16 3.27 -1.77 5.18 0.00 -1.26 -4.90 120.51 118.87 1s57 n ALA 136 Ca -0.01 -0.31 -0.38 0.00 0.00 0.00 0.00 53.44 52.74 1s57 n ALA 136 Cb 0.24 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 1s57 n ALA 136 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1s57 s LYS 137 N -3.08 3.90 0.50 0.00 -0.14 -0.32 -4.92 119.74 115.68 1s57 s LYS 137 Ca 0.09 1.92 0.24 0.00 -1.36 0.00 0.00 55.97 56.85 1s57 s LYS 137 Cb 0.16 -2.60 1.33 0.00 -1.68 0.00 0.00 37.83 35.04 1s57 s LYS 137 CO 0.71 -0.47 2.05 0.66 -0.76 0.00 0.00 175.35 177.54 1s57 h SER 138 N 2.42 0.00 -0.23 2.83 4.64 -1.91 -2.07 113.55 119.22 1s57 h SER 138 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1s57 h SER 138 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1s57 h SER 138 CO 0.62 0.14 0.00 2.22 -0.87 0.00 0.00 176.83 178.94 1s57 n PHE 139 N -3.81 0.30 -0.21 4.77 1.16 -1.26 -4.34 117.46 114.07 1s57 n PHE 139 Ca -0.02 -0.15 0.01 0.00 -1.87 0.00 0.00 57.45 55.42 1s57 n PHE 139 Cb 0.24 0.00 0.12 0.00 -1.61 0.00 0.00 39.48 38.23 1s57 n PHE 139 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1s57 h PHE 140 N 2.90 0.38 -0.92 2.97 3.57 -1.60 -1.13 116.94 123.11 1s57 h PHE 140 Ca 0.00 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.59 1s57 h PHE 140 Cb 0.64 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.24 1s57 h PHE 140 CO 0.15 0.07 0.58 -1.35 -2.23 0.00 0.00 178.31 175.54 1s57 h PRO 141 N 0.39 1.05 -0.77 6.41 0.11 -1.81 -2.06 132.00 135.31 1s57 h PRO 141 Ca 0.32 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.34 1s57 h PRO 141 Cb 0.42 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 31.26 1s57 h PRO 141 CO -0.33 0.69 0.38 -0.91 -0.21 0.00 0.00 178.00 177.62 1s57 h ASN 142 N 1.08 1.00 -0.49 -2.05 2.35 -1.54 -1.02 115.58 114.91 1s57 h ASN 142 Ca 0.39 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1s57 h ASN 142 Cb 0.13 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1s57 h ASN 142 CO -0.16 0.85 0.31 -0.07 -1.65 0.00 0.00 177.43 176.71 1s57 h LEU 143 N 1.08 0.58 -0.13 1.61 3.38 -0.67 -0.76 115.31 120.40 1s57 h LEU 143 Ca 0.27 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1s57 h LEU 143 Cb 0.11 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1s57 h LEU 143 CO -0.03 0.44 0.04 0.40 0.09 0.00 0.00 178.44 179.37 1s57 h ILE 144 N 0.66 1.19 -0.52 1.22 1.08 -1.08 -2.02 117.51 118.04 1s57 h ILE 144 Ca 0.18 -0.58 0.02 0.00 -0.39 0.00 0.00 64.86 64.09 1s57 h ILE 144 Cb -0.05 1.33 -0.03 0.00 -3.07 0.00 0.00 36.82 35.00 1s57 h ILE 144 CO -0.04 0.17 0.32 -0.08 -0.69 0.00 0.00 178.15 177.84 1s57 h GLU 145 N 0.01 0.63 -0.09 2.37 4.22 -1.04 -2.53 114.58 118.15 1s57 h GLU 145 Ca 0.04 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1s57 h GLU 145 Cb 0.23 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1s57 h GLU 145 CO -0.00 0.41 0.01 -0.92 -2.18 0.00 0.00 179.01 176.33 1s57 h TYR 146 N 0.65 0.17 0.00 0.92 3.20 -1.07 -1.72 116.97 119.12 1s57 h TYR 146 Ca 0.20 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1s57 h TYR 146 Cb -0.01 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.21 1s57 h TYR 146 CO -0.06 0.40 0.00 0.97 -1.64 0.00 0.00 178.16 177.83 1s57 h ILE 147 N -0.10 0.00 -0.12 1.81 -0.00 -1.32 -1.82 117.51 115.94 1s57 h ILE 147 Ca 0.03 -0.16 0.00 0.00 -0.00 0.00 0.00 64.86 64.73 1s57 h ILE 147 Cb 0.32 0.90 0.00 0.00 -0.00 0.00 0.00 36.82 38.04 1s57 h ILE 147 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.15 178.56 1s57 n THR 148 N -2.55 0.24 0.47 2.19 -1.04 -0.96 -4.55 114.28 108.09 1s57 n THR 148 Ca -0.00 -0.62 0.13 0.00 -2.04 0.00 0.00 64.05 61.51 1s57 n THR 148 Cb 0.15 1.11 0.34 0.00 -1.82 0.00 0.00 70.33 70.10 1s57 n THR 148 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1s57 h SER 149 N 2.83 0.00 -5.14 8.00 4.64 -0.41 -3.47 113.55 119.99 1s57 h SER 149 Ca 0.00 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.44 1s57 h SER 149 Cb 0.66 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.67 1s57 h SER 149 CO 0.00 0.00 0.38 -0.83 -0.87 0.00 0.00 176.83 175.51 1s57 s GLY 150 N -3.81 -0.22 0.61 -0.77 0.00 -1.26 -5.11 107.32 96.76 1s57 s GLY 150 Ca 0.09 0.06 -0.19 0.00 0.00 0.00 0.00 44.72 44.68 1s57 s GLY 150 CO 0.61 0.00 1.32 -4.14 0.00 0.00 0.00 173.10 170.90 1s57 s PRO 151 N -3.52 2.76 0.36 2.90 0.02 -1.26 -4.73 135.00 131.52 1s57 s PRO 151 Ca 0.11 2.13 0.04 0.00 0.02 0.00 0.00 61.00 63.30 1s57 s PRO 151 Cb -0.03 -1.99 -0.06 0.00 0.02 0.00 0.00 34.50 32.44 1s57 s PRO 151 CO 0.02 -1.46 0.05 0.14 -0.33 0.00 0.00 177.00 175.43 1s57 s VAL 152 N -1.36 1.27 -0.17 3.83 -7.23 0.11 -4.03 120.40 112.83 1s57 s VAL 152 Ca 0.79 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.96 1s57 s VAL 152 Cb -0.39 -2.76 0.03 0.00 0.56 0.00 0.00 36.38 33.82 1s57 s VAL 152 CO 0.43 0.00 -0.15 -0.69 -0.31 0.00 0.00 175.10 174.38 1s57 s VAL 153 N -3.17 1.75 0.02 1.32 1.01 -0.75 -0.11 120.40 120.45 1s57 s VAL 153 Ca 0.34 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 61.35 1s57 s VAL 153 Cb 0.08 -1.65 -0.06 0.00 0.00 0.00 0.00 36.38 34.75 1s57 s VAL 153 CO 0.15 0.42 0.44 0.00 0.00 0.00 0.00 175.10 176.11 1s57 s MET 155 N -1.10 0.36 -0.11 0.00 -1.94 -0.07 -1.53 119.30 114.91 1s57 s MET 155 Ca 0.25 -0.46 0.00 0.00 -1.71 0.00 0.00 55.69 53.77 1s57 s MET 155 Cb -0.17 0.14 0.02 0.00 2.01 0.00 0.00 34.83 36.83 1s57 s MET 155 CO 0.14 -0.07 -0.09 0.00 -0.01 0.00 0.00 175.02 174.99 1s57 s ALA 156 N -1.30 1.35 0.02 3.03 0.00 -0.31 -1.53 121.76 123.02 1s57 s ALA 156 Ca -0.14 -0.55 0.08 0.00 0.00 0.00 0.00 51.96 51.35 1s57 s ALA 156 Cb -0.08 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 1s57 s ALA 156 CO 0.00 -0.33 -0.25 -1.58 0.00 0.00 0.00 175.76 173.60 1s57 s TRP 157 N 1.53 2.36 0.09 0.00 0.52 -0.57 -0.93 118.94 121.95 1s57 s TRP 157 Ca 0.02 -0.40 0.10 0.00 0.02 0.00 0.00 56.10 55.84 1s57 s TRP 157 Cb -0.13 -1.45 -0.04 0.00 -1.15 0.00 0.00 33.47 30.71 1s57 s TRP 157 CO -0.07 0.08 -0.25 -2.00 0.02 0.00 0.00 176.95 174.74 1s57 s GLU 158 N -1.01 1.64 0.00 4.98 2.12 0.35 -0.74 118.70 126.05 1s57 s GLU 158 Ca 0.11 -1.21 0.00 0.00 0.36 0.00 0.00 54.97 54.23 1s57 s GLU 158 Cb -0.10 -1.98 0.00 0.00 0.26 0.00 0.00 34.13 32.31 1s57 s GLU 158 CO 0.01 0.48 0.00 0.41 -0.54 0.00 0.00 175.26 175.62 1s57 n GLY 159 N 1.24 2.97 3.68 -1.50 0.00 0.18 -1.52 105.19 110.23 1s57 n GLY 159 Ca -0.17 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 1s57 n GLY 159 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s57 s VAL 160 N -2.00 4.03 -0.64 1.61 1.01 -1.26 -0.73 120.40 122.42 1s57 s VAL 160 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.32 1s57 s VAL 160 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1s57 s VAL 160 CO 0.00 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1s57 n GLY 161 N 3.59 0.82 0.27 4.51 0.00 -1.26 -4.92 105.19 108.19 1s57 n GLY 161 Ca 0.13 -0.45 0.05 0.00 0.00 0.00 0.00 46.02 45.75 1s57 n GLY 161 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1s57 h VAL 162 N 0.00 1.08 0.64 1.61 3.04 -1.81 -2.15 116.25 118.66 1s57 h VAL 162 Ca -0.12 -0.30 -0.03 0.00 -1.01 0.00 0.00 66.70 65.24 1s57 h VAL 162 Cb 0.52 0.95 0.01 0.00 -2.01 0.00 0.00 31.29 30.75 1s57 h VAL 162 CO 0.18 0.10 -0.31 0.58 -1.01 0.00 0.00 177.57 177.11 1s57 h VAL 163 N 0.21 0.33 -0.31 1.51 2.07 -1.87 -0.18 116.25 118.01 1s57 h VAL 163 Ca 0.05 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.37 1s57 h VAL 163 Cb 0.10 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1s57 h VAL 163 CO -0.00 0.02 -0.19 0.00 0.02 0.00 0.00 177.57 177.42 1s57 h ALA 164 N -0.63 1.09 -0.45 1.67 0.00 -1.88 -2.65 119.26 116.40 1s57 h ALA 164 Ca -0.09 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1s57 h ALA 164 Cb 0.69 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1s57 h ALA 164 CO 0.15 0.56 0.12 1.03 0.00 0.00 0.00 179.25 181.10 1s57 h SER 165 N 0.52 0.68 -0.66 0.00 0.87 -1.32 -1.51 113.55 112.13 1s57 h SER 165 Ca 0.08 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 1s57 h SER 165 Cb 0.62 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.37 1s57 h SER 165 CO 0.04 0.73 0.33 0.00 -0.53 0.00 0.00 176.83 177.40 1s57 h ALA 166 N 0.98 0.85 -0.83 6.23 0.00 -0.88 0.28 119.26 125.89 1s57 h ALA 166 Ca 0.14 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1s57 h ALA 166 Cb 0.31 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1s57 h ALA 166 CO 0.00 0.40 0.55 0.00 0.00 0.00 0.00 179.25 180.20 1s57 h ARG 167 N 0.91 1.09 -0.42 0.00 2.47 -1.27 -0.65 114.38 116.51 1s57 h ARG 167 Ca 0.23 -0.07 -0.02 0.00 -1.26 0.00 0.00 59.98 58.86 1s57 h ARG 167 Cb 0.10 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.16 1s57 h ARG 167 CO -0.03 0.72 0.17 -0.22 0.56 0.00 0.00 179.97 181.17 1s57 h LYS 168 N 1.13 0.62 -0.06 0.04 3.64 -0.55 -1.09 116.57 120.29 1s57 h LYS 168 Ca 0.31 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1s57 h LYS 168 Cb -0.13 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1s57 h LYS 168 CO -0.07 0.57 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.34 1s57 h LEU 169 N 0.53 0.11 -0.06 5.20 3.38 -0.56 -3.06 115.31 120.85 1s57 h LEU 169 Ca 0.14 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1s57 h LEU 169 Cb 0.18 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.91 1s57 h LEU 169 CO -0.01 0.38 -0.52 0.40 0.09 0.00 0.00 178.44 178.79 1s57 h ILE 170 N 0.10 1.40 0.00 1.22 2.04 -0.78 0.31 117.51 121.79 1s57 h ILE 170 Ca 0.01 -1.91 0.00 0.00 1.00 0.00 0.00 64.86 63.97 1s57 h ILE 170 Cb 0.54 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.98 1s57 h ILE 170 CO 0.04 0.56 0.00 0.61 0.00 0.00 0.00 178.15 179.36 1s57 n GLY 171 N 0.84 0.54 3.57 5.37 0.00 -0.44 -1.36 105.19 113.70 1s57 n GLY 171 Ca -0.09 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.61 1s57 n GLY 171 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s57 n LYS 172 N 0.74 0.66 -0.29 1.61 5.02 -1.26 -4.90 118.16 119.75 1s57 n LYS 172 Ca 0.00 0.27 0.07 0.00 -2.02 0.00 0.00 58.31 56.63 1s57 n LYS 172 Cb 0.00 -2.05 0.23 0.00 -0.02 0.00 0.00 35.03 33.18 1s57 n LYS 172 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1s57 h THR 173 N 0.16 0.71 -3.47 -0.18 2.02 -1.98 -3.36 112.91 106.82 1s57 h THR 173 Ca -0.47 -0.20 -0.63 0.00 0.77 0.00 0.00 66.41 65.87 1s57 h THR 173 Cb 1.36 0.06 -0.13 0.00 -1.74 0.00 0.00 68.15 67.70 1s57 h THR 173 CO 0.48 0.11 0.36 -0.62 0.37 0.00 0.00 175.52 176.22 1s57 s ASP 174 N -5.40 6.36 0.56 4.18 -1.08 -1.26 -4.51 116.67 115.52 1s57 s ASP 174 Ca -0.12 -0.29 0.29 0.00 -0.52 0.00 0.00 52.55 51.91 1s57 s ASP 174 Cb 0.22 -2.38 1.47 0.00 -1.46 0.00 0.00 42.92 40.76 1s57 s ASP 174 CO 0.78 -0.99 1.91 -0.65 0.52 0.00 0.00 175.17 176.74 1s57 h PRO 175 N 9.06 0.00 0.00 4.34 0.11 -1.84 0.17 132.00 143.84 1s57 h PRO 175 Ca -0.25 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.77 1s57 h PRO 175 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1s57 h PRO 175 CO 0.99 0.00 -0.42 -0.07 -0.21 0.00 0.00 178.00 178.29 1s57 h LEU 176 N 0.00 0.00 0.00 2.35 3.38 -1.79 -3.07 115.31 116.17 1s57 h LEU 176 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1s57 h LEU 176 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1s57 h LEU 176 CO -0.00 0.42 -1.53 0.00 0.09 0.00 0.00 178.44 177.42 1s57 n GLN 177 N -3.96 0.62 -1.89 1.13 1.13 0.46 -4.93 117.38 109.94 1s57 n GLN 177 Ca -0.02 -0.05 -0.41 0.00 -1.94 0.00 0.00 57.00 54.58 1s57 n GLN 177 Cb 0.46 -1.65 -0.01 0.00 0.11 0.00 0.00 30.24 29.15 1s57 n GLN 177 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s57 s ALA 178 N -3.44 3.53 0.39 -1.58 0.00 -0.44 -4.86 121.76 115.37 1s57 s ALA 178 Ca -0.04 1.48 -0.24 0.00 0.00 0.00 0.00 51.96 53.15 1s57 s ALA 178 Cb 0.12 -3.57 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 1s57 s ALA 178 CO 0.86 -0.95 1.05 -1.21 0.00 0.00 0.00 175.76 175.51 1s57 s GLU 179 N -2.04 4.20 0.35 0.00 0.41 -1.26 -4.35 118.70 116.01 1s57 s GLU 179 Ca 0.52 1.52 -0.28 0.00 -0.41 0.00 0.00 54.97 56.32 1s57 s GLU 179 Cb -0.44 -2.58 -0.12 0.00 -1.78 0.00 0.00 34.13 29.21 1s57 s GLU 179 CO 0.60 -0.11 1.41 -2.30 -0.49 0.00 0.00 175.26 174.36 1s57 n PRO 180 N -0.00 2.41 0.00 0.39 -0.02 -1.26 -1.69 135.00 134.82 1s57 n PRO 180 Ca 0.05 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1s57 n PRO 180 Cb 0.49 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1s57 n PRO 180 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s57 n GLY 181 N 0.82 1.53 3.92 -1.23 0.00 -1.26 -4.96 105.19 104.00 1s57 n GLY 181 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1s57 n GLY 181 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s57 s THR 182 N -1.86 4.38 0.10 2.61 -4.23 -0.68 -4.91 115.64 111.05 1s57 s THR 182 Ca 0.00 -0.04 -0.25 0.00 -1.18 0.00 0.00 61.69 60.22 1s57 s THR 182 Cb 0.00 -3.67 -0.13 0.00 1.34 0.00 0.00 72.50 70.04 1s57 s THR 182 CO 0.00 -0.62 1.69 0.40 -0.54 0.00 0.00 174.62 175.56 1s57 h ILE 183 N 0.18 0.73 -0.01 2.99 2.04 -0.86 0.35 117.51 122.92 1s57 h ILE 183 Ca -0.47 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.27 1s57 h ILE 183 Cb 1.23 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1s57 h ILE 183 CO 0.61 0.00 -0.58 0.03 0.00 0.00 0.00 178.15 178.21 1s57 h ARG 184 N -0.27 0.04 -0.26 2.37 3.08 -1.48 0.48 114.38 118.33 1s57 h ARG 184 Ca -0.00 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.92 1s57 h ARG 184 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1s57 h ARG 184 CO -0.02 0.61 -0.27 0.78 -1.07 0.00 0.00 179.97 179.99 1s57 h GLY 185 N 1.69 0.55 0.90 0.04 0.00 -1.62 -2.58 103.07 102.06 1s57 h GLY 185 Ca -0.01 -0.47 -0.31 0.00 0.00 0.00 0.00 47.33 46.55 1s57 h GLY 185 CO 0.08 0.43 -1.77 1.22 0.00 0.00 0.00 176.54 176.49 1s57 n ASP 186 N -4.11 1.19 -0.10 0.19 8.00 0.08 -4.56 116.55 117.25 1s57 n ASP 186 Ca -0.00 0.37 0.01 0.00 0.71 0.00 0.00 54.79 55.88 1s57 n ASP 186 Cb 0.42 -0.28 0.02 0.00 -0.02 0.00 0.00 41.12 41.26 1s57 n ASP 186 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1s57 n LEU 187 N -3.16 1.50 -4.19 0.64 4.77 0.14 -5.07 117.00 111.64 1s57 n LEU 187 Ca -0.20 -1.32 -0.11 0.00 -0.03 0.00 0.00 56.01 54.34 1s57 n LEU 187 Cb 1.05 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 42.03 1s57 n LEU 187 CO 0.45 0.36 -0.33 0.00 -1.33 0.00 0.00 177.39 176.54 1s57 s ALA 188 N -0.45 1.09 0.00 -1.18 0.00 -0.97 -5.00 121.76 115.26 1s57 s ALA 188 Ca 0.03 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.50 1s57 s ALA 188 Cb 0.02 0.55 0.00 0.00 0.00 0.00 0.00 23.12 23.69 1s57 s ALA 188 CO 0.03 -0.36 0.00 1.33 0.00 0.00 0.00 175.76 176.76 1s57 n VAL 189 N -0.14 0.00 -3.82 0.00 0.24 -1.26 -4.52 118.33 108.83 1s57 n VAL 189 Ca -0.08 -0.23 -0.13 0.00 -2.04 0.00 0.00 64.34 61.86 1s57 n VAL 189 Cb 0.63 0.93 -0.14 0.00 -1.47 0.00 0.00 33.84 33.78 1s57 n VAL 189 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1s57 s GLN 190 N -0.56 0.05 0.27 7.34 -0.44 -1.26 -4.35 119.66 120.71 1s57 s GLN 190 Ca 0.00 0.15 -0.03 0.00 -2.50 0.00 0.00 55.36 52.99 1s57 s GLN 190 Cb 0.00 -0.06 0.57 0.00 -1.64 0.00 0.00 33.01 31.87 1s57 s GLN 190 CO 0.00 -0.07 1.64 1.15 0.50 0.00 0.00 175.29 178.51 1s57 h THR 191 N 5.50 0.33 0.00 -0.34 2.02 -1.94 0.21 112.91 118.70 1s57 h THR 191 Ca -0.32 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 1s57 h THR 191 Cb 1.18 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1s57 h THR 191 CO 0.47 0.03 -0.02 1.23 0.37 0.00 0.00 175.52 177.60 1s57 h GLY 192 N 0.16 0.00 -5.38 2.16 0.00 -1.97 -3.05 103.07 95.00 1s57 h GLY 192 Ca 0.48 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.24 1s57 h GLY 192 CO -0.66 0.00 -0.76 0.54 0.00 0.00 0.00 176.54 175.66 1s57 n ARG 193 N -3.16 2.79 -0.95 4.80 5.12 0.73 -4.89 116.66 121.10 1s57 n ARG 193 Ca -0.01 -4.54 -0.14 0.00 -1.93 0.00 0.00 57.85 51.23 1s57 n ARG 193 Cb 0.21 -2.12 0.19 0.00 -1.16 0.00 0.00 32.46 29.58 1s57 n ARG 193 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1s57 n ASN 194 N -0.16 3.93 0.00 0.55 0.23 -1.09 -4.42 115.26 114.31 1s57 n ASN 194 Ca 0.30 -3.19 0.00 0.00 -0.53 0.00 0.00 54.58 51.16 1s57 n ASN 194 Cb 0.46 -0.75 0.00 0.00 -2.08 0.00 0.00 39.78 37.41 1s57 n ASN 194 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1s57 n ILE 195 N -0.53 0.00 -4.14 1.53 2.08 -1.26 -4.81 119.36 112.24 1s57 n ILE 195 Ca 0.43 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.65 1s57 n ILE 195 Cb 1.37 0.00 -0.10 0.00 -0.75 0.00 0.00 39.64 40.16 1s57 n ILE 195 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1s57 s VAL 196 N 0.00 0.41 -0.02 1.39 0.11 -1.26 -0.23 120.40 120.80 1s57 s VAL 196 Ca 0.00 -1.88 0.04 0.00 -2.93 0.00 0.00 61.98 57.21 1s57 s VAL 196 Cb 0.00 -1.68 -0.01 0.00 -1.53 0.00 0.00 36.38 33.16 1s57 s VAL 196 CO 0.00 -0.85 -0.13 -2.28 -3.33 0.00 0.00 175.10 168.50 1s57 s HIS 197 N -3.81 1.24 0.00 1.54 2.46 0.24 -4.92 115.29 112.04 1s57 s HIS 197 Ca 0.12 -0.26 0.05 0.00 0.47 0.00 0.00 55.06 55.43 1s57 s HIS 197 Cb 0.07 -0.82 -0.01 0.00 -0.13 0.00 0.00 32.58 31.69 1s57 s HIS 197 CO -0.06 -0.05 -0.14 0.20 -2.47 0.00 0.00 174.74 172.22 1s57 s GLY 198 N -0.19 0.73 0.32 1.59 0.00 -1.26 -0.42 107.32 108.09 1s57 s GLY 198 Ca 0.03 -0.67 -0.28 0.00 0.00 0.00 0.00 44.72 43.79 1s57 s GLY 198 CO -0.00 -0.59 1.24 1.44 0.00 0.00 0.00 173.10 175.19 1s57 n SER 199 N 2.53 2.44 -0.18 1.64 7.64 -0.47 -4.89 113.62 122.32 1s57 n SER 199 Ca -0.15 1.20 0.14 0.00 1.01 0.00 0.00 58.87 61.07 1s57 n SER 199 Cb 0.55 -1.44 0.61 0.00 -1.01 0.00 0.00 64.21 62.93 1s57 n SER 199 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1s57 n ASP 200 N 0.98 0.67 -3.45 6.43 5.68 -1.26 -4.82 116.55 120.78 1s57 n ASP 200 Ca 0.06 -0.85 -0.12 0.00 -0.50 0.00 0.00 54.79 53.39 1s57 n ASP 200 Cb 0.35 -0.02 -0.02 0.00 -1.14 0.00 0.00 41.12 40.28 1s57 n ASP 200 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1s57 s SER 201 N -2.32 -0.53 0.41 -1.12 1.04 -1.26 -5.01 113.70 104.92 1s57 s SER 201 Ca 0.33 0.05 0.10 0.00 0.48 0.00 0.00 55.95 56.91 1s57 s SER 201 Cb 0.20 0.55 0.88 0.00 0.10 0.00 0.00 66.02 67.75 1s57 s SER 201 CO 0.44 -0.86 1.99 1.55 0.98 0.00 0.00 173.24 177.33 1s57 h PRO 202 N 2.07 0.27 -0.29 4.02 0.13 -1.90 0.21 132.00 136.51 1s57 h PRO 202 Ca -0.31 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.75 1s57 h PRO 202 Cb 1.28 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1s57 h PRO 202 CO 0.36 0.31 0.06 0.93 -0.23 0.00 0.00 178.00 179.43 1s57 h GLU 203 N 0.27 0.47 0.00 0.86 5.08 -1.96 -2.08 114.58 117.22 1s57 h GLU 203 Ca 0.06 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1s57 h GLU 203 Cb 0.21 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1s57 h GLU 203 CO 0.01 0.56 -0.28 -0.91 -1.00 0.00 0.00 179.01 177.39 1s57 h ASN 204 N 0.29 0.00 -0.35 1.42 -0.26 -1.79 -1.60 115.58 113.30 1s57 h ASN 204 Ca 0.09 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.77 1s57 h ASN 204 Cb 0.32 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.56 1s57 h ASN 204 CO 0.00 0.28 -0.00 1.23 -1.06 0.00 0.00 177.43 177.88 1s57 h GLY 205 N 2.01 0.67 1.31 2.83 0.00 -0.20 0.92 103.07 110.61 1s57 h GLY 205 Ca -0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 47.33 46.67 1s57 h GLY 205 CO 0.04 0.46 -0.46 0.50 0.00 0.00 0.00 176.54 177.08 1s57 h LYS 206 N 0.43 0.75 -0.05 4.80 1.57 -1.19 -2.03 116.57 120.86 1s57 h LYS 206 Ca 0.10 -0.42 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1s57 h LYS 206 Cb 0.46 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1s57 h LYS 206 CO 0.02 1.05 0.01 -0.09 -0.57 0.00 0.00 179.45 179.87 1s57 h ARG 207 N 0.60 0.07 -0.51 3.15 1.12 -1.14 -2.39 114.38 115.28 1s57 h ARG 207 Ca 0.03 -0.02 -0.08 0.00 -1.11 0.00 0.00 59.98 58.81 1s57 h ARG 207 Cb 1.02 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.95 1s57 h ARG 207 CO 0.10 0.25 0.00 0.93 -3.11 0.00 0.00 179.97 178.15 1s57 h GLU 208 N -0.13 0.85 -0.71 0.20 5.08 -0.82 -1.33 114.58 117.72 1s57 h GLU 208 Ca 0.01 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 1s57 h GLU 208 Cb 0.21 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1s57 h GLU 208 CO -0.00 0.85 0.17 0.82 -1.00 0.00 0.00 179.01 179.85 1s57 h ILE 209 N 0.79 1.26 0.00 3.13 2.04 -1.32 -0.25 117.51 123.16 1s57 h ILE 209 Ca 0.15 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 64.98 1s57 h ILE 209 Cb 0.47 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1s57 h ILE 209 CO 0.02 0.38 -0.26 1.23 0.00 0.00 0.00 178.15 179.52 1s57 h GLY 210 N 1.08 0.00 0.17 5.37 0.00 -1.12 -2.30 103.07 106.28 1s57 h GLY 210 Ca 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.50 1s57 h GLY 210 CO 0.00 0.00 -0.25 -2.00 0.00 0.00 0.00 176.54 174.29 1s57 h LEU 211 N 0.00 0.12 0.00 3.11 5.85 -0.66 -3.39 115.31 120.34 1s57 h LEU 211 Ca -0.00 -0.97 -0.20 0.00 0.84 0.00 0.00 57.88 57.54 1s57 h LEU 211 Cb 0.77 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1s57 h LEU 211 CO 0.03 1.12 -0.99 -0.50 -0.34 0.00 0.00 178.44 177.77 1s57 h TRP 212 N -0.84 0.00 -2.95 1.25 4.06 -1.11 -3.45 115.95 112.91 1s57 h TRP 212 Ca -0.05 0.00 -0.64 0.00 2.06 0.00 0.00 58.89 60.26 1s57 h TRP 212 Cb 1.18 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 29.23 1s57 h TRP 212 CO 0.25 0.95 -0.50 -0.06 -3.56 0.00 0.00 178.44 175.52 1s57 s PHE 213 N -2.73 3.47 0.69 0.49 0.40 -0.87 -5.08 117.98 114.35 1s57 s PHE 213 Ca 0.01 0.39 -0.14 0.00 -0.60 0.00 0.00 56.93 56.59 1s57 s PHE 213 Cb 0.10 -2.01 0.02 0.00 0.51 0.00 0.00 43.02 41.64 1s57 s PHE 213 CO 0.81 0.52 1.13 0.15 0.70 0.00 0.00 175.22 178.54 1s57 s LYS 214 N -0.46 2.55 0.55 0.44 1.02 -1.26 -4.74 119.74 117.83 1s57 s LYS 214 Ca 0.12 1.46 0.33 0.00 0.02 0.00 0.00 55.97 57.90 1s57 s LYS 214 Cb -0.12 -1.91 1.49 0.00 -0.52 0.00 0.00 37.83 36.77 1s57 s LYS 214 CO 0.02 -1.46 1.85 1.05 -0.92 0.00 0.00 175.35 175.89 1s57 h GLU 215 N -0.19 0.00 -0.55 1.68 4.11 -1.97 -1.32 114.58 116.34 1s57 h GLU 215 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1s57 h GLU 215 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1s57 h GLU 215 CO 0.52 0.00 0.00 0.41 0.07 0.00 0.00 179.01 180.01 1s57 n GLY 216 N -1.71 2.88 0.10 1.06 0.00 -1.26 -4.58 105.19 101.69 1s57 n GLY 216 Ca 0.20 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.58 1s57 n GLY 216 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s57 h GLU 217 N 3.36 0.00 -6.94 1.61 5.08 -1.58 -3.46 114.58 112.64 1s57 h GLU 217 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 1s57 h GLU 217 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1s57 h GLU 217 CO 0.14 0.00 0.36 -0.51 -1.00 0.00 0.00 179.01 178.00 1s57 s LEU 218 N -4.70 4.20 -0.18 1.33 1.43 -1.26 -4.73 118.68 114.77 1s57 s LEU 218 Ca 0.06 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 1s57 s LEU 218 Cb 0.12 -4.18 0.04 0.00 0.03 0.00 0.00 46.19 42.20 1s57 s LEU 218 CO 0.70 -0.25 -0.10 0.00 0.23 0.00 0.00 176.35 176.92 1s57 s LYS 220 N 1.46 3.85 -0.00 0.00 -0.14 -1.26 -4.52 119.74 119.13 1s57 s LYS 220 Ca 0.01 0.31 -0.28 0.00 -1.36 0.00 0.00 55.97 54.64 1s57 s LYS 220 Cb -0.15 -2.88 0.09 0.00 -1.68 0.00 0.00 37.83 33.21 1s57 s LYS 220 CO -0.09 0.47 0.80 1.67 -0.76 0.00 0.00 175.35 177.44 1s57 s TRP 221 N -1.54 -0.46 -0.30 3.18 1.48 -1.26 -5.14 118.94 114.90 1s57 s TRP 221 Ca 0.39 0.50 -0.13 0.00 -1.06 0.00 0.00 56.10 55.79 1s57 s TRP 221 Cb -0.14 0.50 -0.03 0.00 -1.16 0.00 0.00 33.47 32.65 1s57 s TRP 221 CO 0.20 -0.59 0.29 -0.51 -4.06 0.00 0.00 176.95 172.28 1s57 s ASP 222 N -2.04 6.13 0.02 -2.66 1.01 -1.26 -5.05 116.67 112.82 1s57 s ASP 222 Ca -0.00 -0.05 -0.30 0.00 0.71 0.00 0.00 52.55 52.90 1s57 s ASP 222 Cb -0.01 -2.17 -0.05 0.00 1.01 0.00 0.00 42.92 41.71 1s57 s ASP 222 CO -0.04 -0.19 1.20 -0.55 0.21 0.00 0.00 175.17 175.79 1s57 s SER 223 N 1.72 7.07 0.50 0.27 0.15 -1.26 -4.92 113.70 117.23 1s57 s SER 223 Ca 0.10 1.95 0.15 0.00 0.70 0.00 0.00 55.95 58.85 1s57 s SER 223 Cb -0.16 -2.57 1.21 0.00 -1.71 0.00 0.00 66.02 62.79 1s57 s SER 223 CO 0.11 -0.51 2.13 0.00 1.20 0.00 0.00 173.24 176.18 1s57 h ALA 224 N 7.04 1.96 -0.23 5.45 0.00 -2.07 -1.84 119.26 129.58 1s57 h ALA 224 Ca -0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1s57 h ALA 224 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1s57 h ALA 224 CO 0.83 0.03 0.00 1.28 0.00 0.00 0.00 179.25 181.39 1s57 n LEU 225 N -4.53 2.17 -0.27 0.00 4.77 -1.26 -4.57 117.00 113.31 1s57 n LEU 225 Ca -0.02 -0.92 -0.01 0.00 -0.03 0.00 0.00 56.01 55.04 1s57 n LEU 225 Cb 0.09 -0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1s57 n LEU 225 CO 0.34 0.46 0.66 0.00 -1.33 0.00 0.00 177.39 177.52 1s57 h ALA 226 N 4.17 0.28 0.00 -1.18 0.00 -1.73 0.24 119.26 121.05 1s57 h ALA 226 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1s57 h ALA 226 Cb 0.63 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1s57 h ALA 226 CO 0.00 -0.53 0.00 1.79 0.00 0.00 0.00 179.25 180.51 1s57 h THR 227 N -0.05 0.00 -0.01 0.00 1.35 -1.81 -1.62 112.91 110.78 1s57 h THR 227 Ca 0.33 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 66.11 1s57 h THR 227 Cb 0.58 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1s57 h THR 227 CO -0.81 0.00 -0.62 0.79 -0.25 0.00 0.00 175.52 174.64 1s57 n TRP 228 N -2.33 0.00 -0.04 4.73 7.02 0.81 -4.27 117.44 123.35 1s57 n TRP 228 Ca -0.00 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.49 1s57 n TRP 228 Cb 0.10 -0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 28.84 1s57 n TRP 228 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1s57 n LEU 229 N -0.43 0.00 -3.67 -0.99 4.77 -0.65 -5.00 117.00 111.03 1s57 n LEU 229 Ca 0.08 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.92 1s57 n LEU 229 Cb 0.43 0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.64 1s57 n LEU 229 CO 0.32 0.20 0.24 0.00 -1.33 0.00 0.00 177.39 176.82 1s57 s ARG 230 N -2.91 0.71 0.00 3.23 1.70 -0.96 -5.12 118.95 115.61 1s57 s ARG 230 Ca -0.08 0.53 0.00 0.00 -0.47 0.00 0.00 55.73 55.72 1s57 s ARG 230 Cb 0.09 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 1s57 s ARG 230 CO 0.76 -0.13 0.42 0.39 -1.08 0.00 0.00 175.30 175.65