#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hes n GLY 127 N 0.00 1.11 3.82 -0.02 0.00 -1.26 -5.00 105.19 103.85 3hes n GLY 127 Ca 0.00 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 3hes n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hes s TYR 128 N -1.56 3.39 0.12 1.61 1.51 -1.26 -4.76 117.35 116.40 3hes s TYR 128 Ca 0.13 1.50 0.02 0.00 -1.01 0.00 0.00 57.07 57.72 3hes s TYR 128 Cb 0.09 -2.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.15 3hes s TYR 128 CO 0.06 0.01 0.23 -1.64 -1.11 0.00 0.00 175.55 173.09 3hes s MET 129 N -2.94 3.34 -0.26 -0.62 -1.94 0.25 -4.90 119.30 112.23 3hes s MET 129 Ca 0.57 -0.59 -0.09 0.00 -1.71 0.00 0.00 55.69 53.88 3hes s MET 129 Cb -0.11 -2.93 -0.04 0.00 2.01 0.00 0.00 34.83 33.76 3hes s MET 129 CO 0.16 0.55 0.11 -1.17 -0.01 0.00 0.00 175.02 174.66 3hes s LEU 130 N -2.95 3.69 0.70 -0.03 2.96 -1.26 -0.73 118.68 121.05 3hes s LEU 130 Ca 0.34 -0.11 -0.11 0.00 -0.22 0.00 0.00 54.13 54.03 3hes s LEU 130 Cb -0.12 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.58 3hes s LEU 130 CO 0.27 -0.02 1.06 -0.83 -1.32 0.00 0.00 176.35 175.51 3hes s GLY 131 N 1.57 1.67 0.75 7.98 0.00 -0.04 -5.00 107.32 114.24 3hes s GLY 131 Ca 0.06 0.07 -0.11 0.00 0.00 0.00 0.00 44.72 44.75 3hes s GLY 131 CO 0.06 0.38 1.08 -1.35 0.00 0.00 0.00 173.10 173.27 3hes s SER 132 N -3.81 4.81 0.42 1.64 1.04 -1.26 -4.51 113.70 112.03 3hes s SER 132 Ca 0.58 1.73 -0.26 0.00 0.48 0.00 0.00 55.95 58.48 3hes s SER 132 Cb -0.14 -2.50 -0.09 0.00 0.10 0.00 0.00 66.02 63.40 3hes s SER 132 CO 0.55 -1.82 1.40 0.00 0.98 0.00 0.00 173.24 174.34 3hes s ALA 133 N -2.96 3.32 0.15 5.32 0.00 -1.26 -4.72 121.76 121.61 3hes s ALA 133 Ca 0.60 1.41 0.07 0.00 0.00 0.00 0.00 51.96 54.03 3hes s ALA 133 Cb -0.16 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 3hes s ALA 133 CO 0.56 -1.03 -0.15 0.00 0.00 0.00 0.00 175.76 175.14 3hes s MET 134 N -2.29 1.14 0.30 0.00 0.23 -0.52 -5.02 119.30 113.14 3hes s MET 134 Ca 0.58 -1.37 -0.30 0.00 -1.03 0.00 0.00 55.69 53.57 3hes s MET 134 Cb -0.42 -1.01 -0.12 0.00 -1.53 0.00 0.00 34.83 31.74 3hes s MET 134 CO 0.55 0.19 1.43 0.45 -2.03 0.00 0.00 175.02 175.61 3hes n SER 135 N 0.22 3.16 -4.71 -1.18 2.88 -1.26 -4.84 113.62 107.89 3hes n SER 135 Ca -0.13 1.17 -0.42 0.00 -1.33 0.00 0.00 58.87 58.16 3hes n SER 135 Cb 0.58 -1.51 -0.03 0.00 -0.75 0.00 0.00 64.21 62.50 3hes n SER 135 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3hes s ARG 136 N -1.05 4.30 0.54 -1.46 0.52 -1.26 -4.98 118.95 115.56 3hes s ARG 136 Ca 0.62 2.08 -0.20 0.00 -0.52 0.00 0.00 55.73 57.70 3hes s ARG 136 Cb -0.57 -3.33 -0.05 0.00 0.52 0.00 0.00 34.95 31.52 3hes s ARG 136 CO 0.55 -0.49 1.20 -1.25 0.02 0.00 0.00 175.30 175.33 3hes s PRO 137 N 1.46 3.29 -0.36 3.54 0.04 -1.26 -4.98 135.00 136.73 3hes s PRO 137 Ca 0.65 1.83 -0.19 0.00 0.04 0.00 0.00 61.00 63.33 3hes s PRO 137 Cb -0.36 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.05 3hes s PRO 137 CO 0.30 -0.95 0.56 0.42 0.04 0.00 0.00 177.00 177.37 3hes s ILE 138 N -1.57 4.96 -0.11 0.56 -1.09 -1.26 -5.04 121.20 117.65 3hes s ILE 138 Ca 0.72 0.40 -0.04 0.00 -2.23 0.00 0.00 60.65 59.49 3hes s ILE 138 Cb -0.30 -4.02 -0.04 0.00 -1.58 0.00 0.00 42.46 36.53 3hes s ILE 138 CO 0.34 -0.27 0.05 -0.63 -1.23 0.00 0.00 174.94 173.20 3hes s ILE 139 N 2.52 4.70 -0.10 2.92 1.01 -1.26 -5.09 121.20 125.89 3hes s ILE 139 Ca 0.21 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.75 3hes s ILE 139 Cb -0.15 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 3hes s ILE 139 CO 0.14 0.59 -0.04 -1.00 0.00 0.00 0.00 174.94 174.63 3hes s HIS 140 N -0.72 3.03 0.11 3.97 3.76 -1.26 -4.84 115.29 119.35 3hes s HIS 140 Ca 0.12 -0.04 0.09 0.00 -0.15 0.00 0.00 55.06 55.08 3hes s HIS 140 Cb -0.12 -1.82 -0.04 0.00 1.11 0.00 0.00 32.58 31.71 3hes s HIS 140 CO 0.02 0.24 -0.20 -0.06 -0.85 0.00 0.00 174.74 173.90 3hes s PHE 141 N -0.42 2.49 0.33 1.40 0.08 -1.26 -5.02 117.98 115.58 3hes s PHE 141 Ca 0.07 -0.29 0.12 0.00 0.12 0.00 0.00 56.93 56.95 3hes s PHE 141 Cb -0.12 -1.33 0.55 0.00 -0.57 0.00 0.00 43.02 41.55 3hes s PHE 141 CO 0.02 0.37 1.73 0.78 -0.10 0.00 0.00 175.22 178.02 3hes h GLY 142 N 3.82 0.00 -4.66 4.36 0.00 -1.99 -3.42 103.07 101.18 3hes h GLY 142 Ca -0.50 -0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.28 3hes h GLY 142 CO 0.45 0.00 0.59 -0.45 0.00 0.00 0.00 176.54 177.13 3hes s SER 143 N -6.90 7.16 0.28 0.19 0.15 -1.26 -4.94 113.70 108.39 3hes s SER 143 Ca -0.02 1.74 0.00 0.00 0.70 0.00 0.00 55.95 58.38 3hes s SER 143 Cb 0.14 -2.56 0.52 0.00 -1.71 0.00 0.00 66.02 62.40 3hes s SER 143 CO 0.74 -0.48 1.85 0.44 1.20 0.00 0.00 173.24 177.00 3hes h ASP 144 N 7.15 0.96 -0.18 5.45 3.32 -2.00 -1.01 116.42 130.11 3hes h ASP 144 Ca -0.35 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.72 3hes h ASP 144 Cb 1.17 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 3hes h ASP 144 CO 0.84 0.54 0.08 0.22 -1.72 0.00 0.00 179.24 179.21 3hes h TYR 145 N 1.05 0.26 -0.42 4.55 3.20 -1.96 -2.32 116.97 121.33 3hes h TYR 145 Ca 0.48 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 62.18 3hes h TYR 145 Cb 0.40 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3hes h TYR 145 CO -0.00 0.29 -0.33 0.93 -1.64 0.00 0.00 178.16 177.40 3hes h GLU 146 N 0.16 0.97 -0.51 1.82 5.08 -1.88 0.01 114.58 120.22 3hes h GLU 146 Ca 0.06 -0.48 0.06 0.00 -1.00 0.00 0.00 59.36 58.01 3hes h GLU 146 Cb 0.13 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 3hes h GLU 146 CO -0.01 1.14 0.21 0.22 -1.00 0.00 0.00 179.01 179.58 3hes h ASP 147 N 0.80 0.25 -0.22 1.42 3.58 -1.16 0.67 116.42 121.77 3hes h ASP 147 Ca 0.08 0.05 -0.20 0.00 0.42 0.00 0.00 57.03 57.38 3hes h ASP 147 Cb 0.93 0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.00 3hes h ASP 147 CO 0.09 0.17 -0.65 -0.09 -2.88 0.00 0.00 179.24 175.88 3hes h ARG 148 N 0.41 0.84 -0.44 0.28 2.43 -1.29 -2.75 114.38 113.85 3hes h ARG 148 Ca 0.24 -0.59 0.05 0.00 -0.81 0.00 0.00 59.98 58.87 3hes h ARG 148 Cb 0.23 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 3hes h ARG 148 CO -0.22 1.22 0.17 -0.92 -1.51 0.00 0.00 179.97 178.71 3hes h TYR 149 N 0.61 0.31 -0.08 2.20 3.20 -0.59 -0.28 116.97 122.33 3hes h TYR 149 Ca -0.02 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.91 3hes h TYR 149 Cb 1.27 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.43 3hes h TYR 149 CO 0.08 0.13 -0.12 -0.92 -1.64 0.00 0.00 178.16 175.68 3hes h TYR 150 N 0.35 -0.31 -0.69 -3.82 3.20 -0.88 -0.12 116.97 114.71 3hes h TYR 150 Ca 0.20 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.20 3hes h TYR 150 Cb 0.17 0.15 -0.08 0.00 1.54 0.00 0.00 36.73 38.51 3hes h TYR 150 CO -0.14 -0.18 0.29 0.00 -1.64 0.00 0.00 178.16 176.49 3hes h ARG 151 N -0.17 0.46 0.00 1.82 3.08 -1.05 -0.15 114.38 118.37 3hes h ARG 151 Ca 0.07 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.96 3hes h ARG 151 Cb 0.27 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3hes h ARG 151 CO -0.18 0.31 -0.65 0.93 -1.07 0.00 0.00 179.97 179.31 3hes h GLU 152 N 0.48 0.00 -0.08 0.04 5.08 -0.73 -3.36 114.58 116.00 3hes h GLU 152 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3hes h GLU 152 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3hes h GLU 152 CO -0.33 0.65 0.00 0.09 -1.00 0.00 0.00 179.01 178.41 3hes n ASN 153 N -3.59 1.94 0.31 1.42 3.02 -0.09 -4.74 115.26 113.54 3hes n ASN 153 Ca -0.00 -1.68 0.18 0.00 -0.03 0.00 0.00 54.58 53.04 3hes n ASN 153 Cb 0.68 -0.05 1.02 0.00 -0.61 0.00 0.00 39.78 40.82 3hes n ASN 153 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hes h MET 154 N 0.71 0.00 0.00 3.52 -0.00 -1.20 -0.41 114.93 117.55 3hes h MET 154 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3hes h MET 154 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.02 3hes h MET 154 CO 0.00 0.01 0.00 -2.39 -0.00 0.00 0.00 176.91 174.53 3hes n HIS 155 N -3.54 0.59 1.00 -0.10 1.44 -1.26 -2.60 115.22 110.75 3hes n HIS 155 Ca -0.03 0.25 0.14 0.00 -2.01 0.00 0.00 57.72 56.07 3hes n HIS 155 Cb 0.09 -0.90 0.53 0.00 0.12 0.00 0.00 29.99 29.83 3hes n HIS 155 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3hes n ARG 156 N -2.05 0.00 -4.11 -1.40 1.74 -0.16 -4.88 116.66 105.79 3hes n ARG 156 Ca 0.02 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.88 3hes n ARG 156 Cb 0.17 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.06 3hes n ARG 156 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3hes s TYR 157 N -3.00 3.13 0.58 -1.55 1.51 -1.07 -5.08 117.35 111.87 3hes s TYR 157 Ca 0.13 -0.11 -0.20 0.00 -1.01 0.00 0.00 57.07 55.89 3hes s TYR 157 Cb 0.19 -1.41 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 3hes s TYR 157 CO 0.57 0.52 1.31 -2.14 -1.11 0.00 0.00 175.55 174.70 3hes s PRO 158 N -3.84 2.96 -0.16 -1.71 0.02 -1.26 -4.94 135.00 126.05 3hes s PRO 158 Ca 0.33 2.12 0.17 0.00 0.02 0.00 0.00 61.00 63.64 3hes s PRO 158 Cb -0.08 -2.09 0.43 0.00 0.02 0.00 0.00 34.50 32.78 3hes s PRO 158 CO 0.25 -1.30 1.31 0.27 -0.33 0.00 0.00 177.00 177.21 3hes n ASN 159 N -1.35 3.20 -4.11 2.53 0.23 -1.26 -4.97 115.26 109.52 3hes n ASN 159 Ca 0.12 -3.09 -0.14 0.00 -0.53 0.00 0.00 54.58 50.94 3hes n ASN 159 Cb 0.47 -0.50 -0.11 0.00 -2.08 0.00 0.00 39.78 37.55 3hes n ASN 159 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 3hes s GLN 160 N -2.87 0.67 0.14 -3.83 -0.21 -1.26 -1.43 119.66 110.86 3hes s GLN 160 Ca 0.38 -0.91 0.06 0.00 0.02 0.00 0.00 55.36 54.91 3hes s GLN 160 Cb 0.32 -0.45 -0.04 0.00 1.00 0.00 0.00 33.01 33.84 3hes s GLN 160 CO 0.06 0.08 -0.14 0.14 -2.12 0.00 0.00 175.29 173.31 3hes s VAL 161 N -1.69 1.43 0.09 1.09 -7.23 -1.26 -4.96 120.40 107.87 3hes s VAL 161 Ca -0.04 -1.84 -0.06 0.00 -1.81 0.00 0.00 61.98 58.24 3hes s VAL 161 Cb -0.08 -1.67 -0.05 0.00 0.56 0.00 0.00 36.38 35.14 3hes s VAL 161 CO 0.00 -0.46 0.34 -0.31 -0.31 0.00 0.00 175.10 174.37 3hes s TYR 162 N -2.34 3.52 0.22 2.82 1.51 -1.26 -0.86 117.35 120.96 3hes s TYR 162 Ca 0.12 0.57 -0.19 0.00 -1.01 0.00 0.00 57.07 56.57 3hes s TYR 162 Cb -0.04 -2.01 0.03 0.00 -0.11 0.00 0.00 41.96 39.83 3hes s TYR 162 CO 0.04 0.51 0.58 1.52 -1.11 0.00 0.00 175.55 177.08 3hes s TYR 163 N -1.51 -0.13 -0.30 2.71 -0.85 0.09 -4.32 117.35 113.03 3hes s TYR 163 Ca 0.36 -0.23 -0.16 0.00 -0.52 0.00 0.00 57.07 56.52 3hes s TYR 163 Cb -0.13 0.47 -0.02 0.00 0.38 0.00 0.00 41.96 42.66 3hes s TYR 163 CO 0.22 -1.01 0.41 0.50 -1.52 0.00 0.00 175.55 174.15 3hes s ARG 164 N -3.89 3.83 0.76 -3.49 3.52 -1.26 -0.58 118.95 117.83 3hes s ARG 164 Ca 0.10 -0.10 -0.15 0.00 -0.13 0.00 0.00 55.73 55.45 3hes s ARG 164 Cb -0.02 -3.72 0.01 0.00 -1.56 0.00 0.00 34.95 29.66 3hes s ARG 164 CO 0.00 -0.42 0.84 -0.35 -0.81 0.00 0.00 175.30 174.57 3hes n PRO 165 N 5.44 0.31 -2.17 5.12 -0.04 -1.26 -4.89 135.00 137.51 3hes n PRO 165 Ca -0.08 0.16 -0.40 0.00 -0.04 0.00 0.00 63.50 63.14 3hes n PRO 165 Cb 0.50 -2.12 -0.02 0.00 -0.04 0.00 0.00 33.50 31.81 3hes n PRO 165 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3hes s MET 166 N -3.36 4.33 0.07 0.54 -1.94 -1.26 -5.00 119.30 112.67 3hes s MET 166 Ca 0.70 2.13 -0.01 0.00 -1.71 0.00 0.00 55.69 56.80 3hes s MET 166 Cb -0.32 -3.02 0.00 0.00 2.01 0.00 0.00 34.83 33.50 3hes s MET 166 CO 0.54 -0.18 0.11 -0.40 -0.01 0.00 0.00 175.02 175.08 3hes n ASP 167 N 0.72 -0.30 0.08 3.03 5.68 -1.26 -5.01 116.55 119.49 3hes n ASP 167 Ca 0.01 -1.33 0.09 0.00 -0.50 0.00 0.00 54.79 53.06 3hes n ASP 167 Cb 0.43 0.54 0.40 0.00 -1.14 0.00 0.00 41.12 41.34 3hes n ASP 167 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3hes n GLU 168 N -0.10 0.10 0.00 0.11 0.00 -1.26 -0.58 120.64 118.91 3hes n GLU 168 Ca -0.00 0.40 0.12 0.00 0.00 0.00 0.00 57.16 57.67 3hes n GLU 168 Cb 0.11 -1.72 0.18 0.00 0.00 0.00 0.00 31.44 30.01 3hes n GLU 168 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3hes n TYR 169 N -1.92 0.00 -3.00 -1.84 4.01 -1.26 -4.96 117.16 108.18 3hes n TYR 169 Ca 0.02 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.36 3hes n TYR 169 Cb 0.17 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.12 3hes n TYR 169 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3hes s SER 170 N -2.29 7.03 0.18 7.72 0.01 0.25 -4.98 113.70 121.63 3hes s SER 170 Ca 0.25 1.25 0.02 0.00 1.31 0.00 0.00 55.95 58.78 3hes s SER 170 Cb 0.19 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.94 3hes s SER 170 CO 0.46 -0.14 -0.01 0.54 0.41 0.00 0.00 173.24 174.50 3hes s ASN 171 N 0.83 1.40 0.29 2.44 2.20 -1.26 -4.86 114.94 115.98 3hes s ASN 171 Ca 0.39 -1.16 0.01 0.00 -0.94 0.00 0.00 52.86 51.16 3hes s ASN 171 Cb -0.18 0.08 0.52 0.00 -2.00 0.00 0.00 41.25 39.67 3hes s ASN 171 CO 0.19 -0.53 1.88 -0.61 -2.94 0.00 0.00 177.10 175.09 3hes h GLN 172 N 2.66 1.01 0.34 3.55 4.15 -1.98 -0.71 115.11 124.13 3hes h GLN 172 Ca -0.37 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 58.98 3hes h GLN 172 Cb 1.21 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 3hes h GLN 172 CO 0.63 0.67 -0.25 -0.97 -1.93 0.00 0.00 178.83 176.98 3hes h ASN 173 N 1.04 -0.66 0.39 -0.69 -0.73 -1.99 0.52 115.58 113.45 3hes h ASN 173 Ca 0.43 0.04 -0.06 0.00 1.87 0.00 0.00 56.30 58.58 3hes h ASN 173 Cb 0.30 0.21 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 3hes h ASN 173 CO -0.19 -0.36 -0.30 -0.55 -0.37 0.00 0.00 177.43 175.66 3hes h ASN 174 N -0.57 0.00 0.14 1.15 7.08 -1.93 -1.36 115.58 120.09 3hes h ASN 174 Ca -0.04 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.17 3hes h ASN 174 Cb 0.47 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.71 3hes h ASN 174 CO 0.02 0.30 -0.07 0.15 -2.08 0.00 0.00 177.43 175.75 3hes h PHE 175 N 0.00 -0.17 -0.04 4.14 3.57 -1.00 -0.52 116.94 122.92 3hes h PHE 175 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3hes h PHE 175 Cb 0.57 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.37 3hes h PHE 175 CO 0.00 0.20 0.02 0.28 -2.23 0.00 0.00 178.31 176.58 3hes h VAL 176 N -0.57 1.05 -0.46 1.41 2.07 -0.84 -0.77 116.25 118.14 3hes h VAL 176 Ca -0.02 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.39 3hes h VAL 176 Cb 0.44 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 3hes h VAL 176 CO 0.03 0.04 0.23 0.45 0.02 0.00 0.00 177.57 178.34 3hes h HIS 177 N 0.01 0.42 -0.09 1.57 3.86 -1.26 -0.35 115.15 119.30 3hes h HIS 177 Ca 0.02 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 3hes h HIS 177 Cb 0.05 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.36 3hes h HIS 177 CO -0.06 0.21 -0.14 -0.44 0.86 0.00 0.00 177.93 178.36 3hes h ASP 178 N 0.45 -0.43 -0.38 2.45 3.32 -0.98 -0.31 116.42 120.54 3hes h ASP 178 Ca 0.20 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.35 3hes h ASP 178 Cb 0.11 0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 3hes h ASP 178 CO -0.14 -0.19 0.20 0.00 -1.72 0.00 0.00 179.24 177.38 3hes h VAL 180 N 0.40 1.19 0.08 0.00 2.07 -0.92 -0.33 116.25 118.75 3hes h VAL 180 Ca 0.16 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 67.09 3hes h VAL 180 Cb 0.06 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3hes h VAL 180 CO -0.10 0.18 -0.15 0.78 0.02 0.00 0.00 177.57 178.30 3hes h ASN 181 N 0.02 -0.41 -0.38 0.57 2.35 -0.86 -0.99 115.58 115.89 3hes h ASN 181 Ca 0.04 0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.79 3hes h ASN 181 Cb 0.25 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 3hes h ASN 181 CO -0.00 -0.22 0.03 -0.29 -1.65 0.00 0.00 177.43 175.31 3hes h ILE 182 N -0.29 1.25 -0.59 2.81 6.09 -1.34 -2.64 117.51 122.80 3hes h ILE 182 Ca 0.02 -0.93 -0.05 0.00 -1.37 0.00 0.00 64.86 62.54 3hes h ILE 182 Cb 0.31 1.11 -0.02 0.00 0.47 0.00 0.00 36.82 38.68 3hes h ILE 182 CO -0.09 0.31 0.18 0.74 -3.07 0.00 0.00 178.15 176.22 3hes h THR 183 N 0.49 1.24 -0.26 2.19 2.02 -0.96 -0.03 112.91 117.60 3hes h THR 183 Ca 0.11 -0.84 -0.14 0.00 0.77 0.00 0.00 66.41 66.31 3hes h THR 183 Cb 0.42 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3hes h THR 183 CO 0.01 0.32 -0.43 0.40 0.37 0.00 0.00 175.52 176.19 3hes h ILE 184 N 0.85 1.30 0.47 3.11 2.04 -1.18 -2.29 117.51 121.80 3hes h ILE 184 Ca 0.19 -1.61 -0.02 0.00 1.00 0.00 0.00 64.86 64.42 3hes h ILE 184 Cb 0.30 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 3hes h ILE 184 CO -0.00 0.51 -0.22 0.07 0.00 0.00 0.00 178.15 178.50 3hes h LYS 185 N 0.52 -0.61 -0.70 2.37 2.10 -1.37 -0.41 116.57 118.49 3hes h LYS 185 Ca 0.04 0.04 0.24 0.00 -2.00 0.00 0.00 60.65 58.97 3hes h LYS 185 Cb 0.96 0.14 -0.13 0.00 -0.90 0.00 0.00 32.23 32.30 3hes h LYS 185 CO 0.09 -0.40 0.19 1.04 -2.00 0.00 0.00 179.45 178.37 3hes n GLN 186 N -4.76 -0.05 0.09 0.07 1.13 -0.04 0.39 117.38 114.22 3hes n GLN 186 Ca -0.08 1.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.92 3hes n GLN 186 Cb 0.25 -1.69 0.01 0.00 0.11 0.00 0.00 30.24 28.91 3hes n GLN 186 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3hes h HIS 187 N 0.00 0.13 0.00 1.08 3.86 -1.34 -3.06 115.15 115.81 3hes h HIS 187 Ca 0.51 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.64 3hes h HIS 187 Cb 1.21 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.67 3hes h HIS 187 CO -0.18 0.89 0.06 -2.37 0.86 0.00 0.00 177.93 177.18 3hes n THR 188 N -3.61 1.13 -3.53 2.45 5.66 1.28 -5.10 114.28 112.57 3hes n THR 188 Ca -0.02 0.69 -0.29 0.00 -3.05 0.00 0.00 64.05 61.38 3hes n THR 188 Cb 0.80 -1.69 -0.14 0.00 -1.55 0.00 0.00 70.33 67.75 3hes n THR 188 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3hes s VAL 189 N -3.39 0.14 0.00 1.08 0.11 -1.02 -5.08 120.40 112.24 3hes s VAL 189 Ca -0.02 -1.27 0.00 0.00 -2.93 0.00 0.00 61.98 57.76 3hes s VAL 189 Cb 0.05 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 3hes s VAL 189 CO 0.14 -0.84 0.00 0.59 -3.33 0.00 0.00 175.10 171.66 3hes n ASN 197 N 4.65 0.00 -3.77 3.54 4.13 -1.26 -4.99 115.26 117.56 3hes n ASN 197 Ca 0.02 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.19 3hes n ASN 197 Cb 0.40 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.57 3hes n ASN 197 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3hes s SER 198 N 0.00 -0.03 0.60 6.41 1.04 -1.26 -5.17 113.70 115.29 3hes s SER 198 Ca 0.00 -0.46 -0.13 0.00 0.48 0.00 0.00 55.95 55.85 3hes s SER 198 Cb 0.00 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 3hes s SER 198 CO 0.00 -0.74 1.02 0.42 0.98 0.00 0.00 173.24 174.93 3hes s THR 199 N -3.55 4.56 0.38 2.02 -4.23 -1.26 -4.89 115.64 108.67 3hes s THR 199 Ca 0.02 0.94 0.10 0.00 -1.18 0.00 0.00 61.69 61.57 3hes s THR 199 Cb 0.03 -3.77 0.32 0.00 1.34 0.00 0.00 72.50 70.42 3hes s THR 199 CO -0.10 -0.98 1.91 -0.33 -0.54 0.00 0.00 174.62 174.58 3hes h GLU 200 N -0.03 0.61 -0.30 3.99 5.08 -2.02 -1.38 114.58 120.54 3hes h GLU 200 Ca -0.45 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 3hes h GLU 200 Cb 1.19 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3hes h GLU 200 CO 0.61 0.40 0.07 1.15 -1.00 0.00 0.00 179.01 180.24 3hes h THR 201 N 0.63 1.22 -0.48 1.13 2.02 -1.99 -1.59 112.91 113.84 3hes h THR 201 Ca 0.39 -0.74 -0.06 0.00 0.77 0.00 0.00 66.41 66.77 3hes h THR 201 Cb 0.63 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 3hes h THR 201 CO -0.15 0.24 0.07 0.44 0.37 0.00 0.00 175.52 176.49 3hes h ASP 202 N 0.32 0.70 -0.50 4.18 3.32 -1.72 -0.17 116.42 122.56 3hes h ASP 202 Ca 0.09 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 3hes h ASP 202 Cb 0.30 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3hes h ASP 202 CO 0.00 0.72 0.20 0.58 -1.72 0.00 0.00 179.24 179.02 3hes h VAL 203 N 0.71 1.21 -0.38 -1.35 2.07 -1.12 1.00 116.25 118.40 3hes h VAL 203 Ca 0.15 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 67.04 3hes h VAL 203 Cb 0.34 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3hes h VAL 203 CO 0.01 0.25 0.19 0.50 0.02 0.00 0.00 177.57 178.53 3hes h LYS 204 N 0.67 0.38 -0.33 1.57 3.64 -0.89 -1.22 116.57 120.38 3hes h LYS 204 Ca 0.17 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3hes h LYS 204 Cb 0.20 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3hes h LYS 204 CO -0.01 0.25 0.12 0.52 -2.27 0.00 0.00 179.45 178.06 3hes h MET 205 N 0.39 0.49 0.17 1.90 2.86 -0.72 -1.99 114.93 118.03 3hes h MET 205 Ca 0.16 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 3hes h MET 205 Cb 0.06 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 3hes h MET 205 CO -0.11 0.50 -0.20 1.98 1.06 0.00 0.00 176.91 180.14 3hes h MET 206 N 0.38 -0.40 -0.63 1.72 1.85 -0.60 0.72 114.93 117.97 3hes h MET 206 Ca 0.11 0.03 0.03 0.00 -0.61 0.00 0.00 59.70 59.26 3hes h MET 206 Cb 0.20 0.09 -0.04 0.00 0.43 0.00 0.00 31.60 32.28 3hes h MET 206 CO -0.01 -0.27 0.38 0.93 -0.40 0.00 0.00 176.91 177.54 3hes h GLU 207 N -0.42 0.72 -0.53 0.39 5.08 -1.21 0.01 114.58 118.62 3hes h GLU 207 Ca 0.01 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 3hes h GLU 207 Cb 0.40 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3hes h GLU 207 CO -0.07 0.47 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.20 3hes h ARG 208 N 0.74 1.01 -0.81 2.33 2.43 -1.20 -0.21 114.38 118.66 3hes h ARG 208 Ca 0.26 -0.38 0.01 0.00 -0.81 0.00 0.00 59.98 59.06 3hes h ARG 208 Cb 0.04 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 3hes h ARG 208 CO -0.11 1.07 0.54 0.28 -1.51 0.00 0.00 179.97 180.23 3hes h VAL 209 N 0.89 1.20 -0.24 0.20 2.07 -0.42 -0.99 116.25 118.96 3hes h VAL 209 Ca 0.13 -0.37 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 3hes h VAL 209 Cb 0.70 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3hes h VAL 209 CO 0.05 0.20 -0.24 0.58 0.02 0.00 0.00 177.57 178.19 3hes h VAL 210 N 1.09 1.32 -0.84 2.57 2.07 -0.79 -0.38 116.25 121.29 3hes h VAL 210 Ca 0.30 -1.40 0.05 0.00 0.82 0.00 0.00 66.70 66.48 3hes h VAL 210 Cb -0.11 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 3hes h VAL 210 CO -0.07 0.44 0.55 -0.33 0.02 0.00 0.00 177.57 178.17 3hes h GLU 211 N 0.28 0.94 0.21 1.57 5.08 -0.78 -0.72 114.58 121.15 3hes h GLU 211 Ca 0.04 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3hes h GLU 211 Cb 0.79 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3hes h GLU 211 CO 0.06 0.62 -0.10 0.37 -1.00 0.00 0.00 179.01 178.96 3hes h GLN 212 N 0.97 -0.27 -0.54 2.33 5.75 -1.02 -3.23 115.11 119.10 3hes h GLN 212 Ca 0.35 0.02 0.12 0.00 -0.15 0.00 0.00 58.65 58.99 3hes h GLN 212 Cb 0.15 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 3hes h GLN 212 CO -0.12 0.12 0.37 0.52 -2.65 0.00 0.00 178.83 177.08 3hes h MET 213 N -0.81 0.21 -0.11 1.69 2.86 -0.75 0.15 114.93 118.18 3hes h MET 213 Ca -0.03 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 3hes h MET 213 Cb 0.51 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 3hes h MET 213 CO 0.05 0.14 -0.32 0.00 1.06 0.00 0.00 176.91 177.84 3hes h ILE 215 N 0.18 1.10 -0.89 0.00 2.04 -0.73 -1.74 117.51 117.48 3hes h ILE 215 Ca 0.02 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.61 3hes h ILE 215 Cb 0.65 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 3hes h ILE 215 CO 0.05 0.08 0.59 0.74 0.00 0.00 0.00 178.15 179.61 3hes h THR 216 N -0.03 1.22 -0.44 -0.27 2.02 -1.06 -1.63 112.91 112.72 3hes h THR 216 Ca 0.02 -0.41 -0.08 0.00 0.77 0.00 0.00 66.41 66.71 3hes h THR 216 Cb 0.11 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.42 3hes h THR 216 CO -0.00 0.22 -0.06 -0.61 0.37 0.00 0.00 175.52 175.43 3hes h GLN 217 N 1.20 0.75 -0.08 6.66 5.75 -0.87 -0.70 115.11 127.81 3hes h GLN 217 Ca 0.33 -0.22 -0.00 0.00 -0.15 0.00 0.00 58.65 58.60 3hes h GLN 217 Cb -0.13 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.34 3hes h GLN 217 CO -0.08 0.80 0.05 -0.92 -2.65 0.00 0.00 178.83 176.04 3hes h TYR 218 N 0.69 0.11 -0.62 3.99 3.20 -0.72 0.11 116.97 123.73 3hes h TYR 218 Ca 0.13 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.08 3hes h TYR 218 Cb 0.52 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.69 3hes h TYR 218 CO 0.03 0.13 0.28 0.93 -1.64 0.00 0.00 178.16 177.88 3hes h GLU 219 N 0.06 0.48 -0.21 1.82 5.08 -0.99 0.62 114.58 121.45 3hes h GLU 219 Ca 0.03 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3hes h GLU 219 Cb 0.05 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3hes h GLU 219 CO -0.00 0.32 0.08 -0.09 -1.00 0.00 0.00 179.01 178.32 3hes h ARG 220 N 0.50 0.18 0.00 2.33 2.43 -0.86 -2.61 114.38 116.35 3hes h ARG 220 Ca 0.30 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.31 3hes h ARG 220 Cb 0.31 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3hes h ARG 220 CO -0.25 0.12 -0.69 0.93 -1.51 0.00 0.00 179.97 178.57 3hes h GLU 221 N 0.18 0.00 0.78 0.20 4.39 -0.27 -2.90 114.58 116.98 3hes h GLU 221 Ca 0.09 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 3hes h GLU 221 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3hes h GLU 221 CO -0.08 0.69 -0.43 0.77 -1.16 0.00 0.00 179.01 178.80 3hes h SER 222 N 0.00 -1.05 -0.98 1.42 0.02 0.34 -1.16 113.55 112.14 3hes h SER 222 Ca -0.01 0.05 0.10 0.00 -0.84 0.00 0.00 61.79 61.09 3hes h SER 222 Cb 1.40 0.29 -0.08 0.00 0.14 0.00 0.00 62.40 64.16 3hes h SER 222 CO 0.09 -0.69 0.62 1.56 -1.14 0.00 0.00 176.83 177.26 3hes h GLN 223 N -1.12 1.01 -0.73 3.45 4.20 -1.51 0.83 115.11 121.24 3hes h GLN 223 Ca -0.10 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 3hes h GLN 223 Cb 0.88 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 3hes h GLN 223 CO 0.14 0.67 0.45 0.00 -0.67 0.00 0.00 178.83 179.41 3hes h ALA 224 N 1.50 0.92 0.00 3.87 0.00 -1.37 0.11 119.26 124.29 3hes h ALA 224 Ca 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3hes h ALA 224 Cb 0.35 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hes h ALA 224 CO -0.23 0.38 0.00 0.98 0.00 0.00 0.00 179.25 180.39 3hes n TYR 225 N -4.53 0.06 -0.87 0.00 9.36 -0.45 -5.10 117.16 115.62 3hes n TYR 225 Ca 0.07 0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.30 3hes n TYR 225 Cb 0.05 -0.53 0.00 0.00 -0.63 0.00 0.00 39.34 38.23 3hes n TYR 225 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74