#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyx n VAL 122 N 0.00 -0.35 0.00 1.55 0.24 -1.26 -1.27 118.33 117.24 1xyx n VAL 122 Ca 0.00 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 1xyx n VAL 122 Cb 0.00 -0.70 0.00 0.00 -1.47 0.00 0.00 33.84 31.67 1xyx n VAL 122 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xyx n GLY 123 N -1.53 2.23 2.72 7.63 0.00 -1.26 -4.45 105.19 110.52 1xyx n GLY 123 Ca -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 1xyx n GLY 123 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xyx s GLY 124 N 0.00 -1.76 0.00 -0.02 0.00 -0.39 -5.01 107.32 100.14 1xyx s GLY 124 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.34 1xyx s GLY 124 CO 0.00 4.22 0.23 1.04 0.00 0.00 0.00 173.10 178.59 1xyx n LEU 125 N 2.91 0.45 0.00 0.66 7.99 -1.22 -5.03 117.00 122.76 1xyx n LEU 125 Ca 0.11 -0.61 0.00 0.00 -0.01 0.00 0.00 56.01 55.50 1xyx n LEU 125 Cb 0.63 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.94 1xyx n LEU 125 CO -0.10 0.11 0.00 0.61 -1.51 0.00 0.00 177.39 176.51 1xyx n GLY 126 N 0.30 2.03 0.00 -0.72 0.00 -1.26 -4.02 105.19 101.52 1xyx n GLY 126 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1xyx n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyx n GLY 127 N 0.00 -1.01 3.75 -0.02 0.00 -1.26 -5.06 105.19 101.59 1xyx n GLY 127 Ca 0.00 0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 1xyx n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xyx s TYR 128 N 0.00 3.36 0.67 1.61 1.51 -1.26 -4.92 117.35 118.33 1xyx s TYR 128 Ca 0.00 1.50 -0.17 0.00 -1.01 0.00 0.00 57.07 57.39 1xyx s TYR 128 Cb 0.00 -3.46 -0.00 0.00 -0.11 0.00 0.00 41.96 38.38 1xyx s TYR 128 CO 0.00 -1.21 1.16 -1.33 -1.11 0.00 0.00 175.55 173.06 1xyx n MET 129 N 1.57 0.86 -4.18 -0.62 2.81 0.73 -4.81 117.12 113.47 1xyx n MET 129 Ca 0.01 0.35 -0.26 0.00 -1.81 0.00 0.00 57.70 55.99 1xyx n MET 129 Cb 0.44 -2.40 -0.17 0.00 -0.71 0.00 0.00 33.22 30.38 1xyx n MET 129 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1xyx s LEU 130 N -3.84 1.39 1.03 4.03 2.96 -1.26 -0.98 118.68 122.00 1xyx s LEU 130 Ca 0.79 -0.30 -0.15 0.00 -0.22 0.00 0.00 54.13 54.25 1xyx s LEU 130 Cb -0.37 -0.84 0.21 0.00 0.50 0.00 0.00 46.19 45.69 1xyx s LEU 130 CO 0.44 -0.06 1.15 -0.83 -1.32 0.00 0.00 176.35 175.74 1xyx s GLY 131 N 1.27 1.61 0.67 7.98 0.00 -0.40 -4.99 107.32 113.45 1xyx s GLY 131 Ca -0.03 -0.75 -0.11 0.00 0.00 0.00 0.00 44.72 43.83 1xyx s GLY 131 CO -0.03 -0.04 1.07 -0.56 0.00 0.00 0.00 173.10 173.54 1xyx s SER 132 N -4.02 5.75 -0.44 1.64 0.01 -1.26 -4.58 113.70 110.79 1xyx s SER 132 Ca 0.68 1.26 -0.28 0.00 1.31 0.00 0.00 55.95 58.93 1xyx s SER 132 Cb -0.12 -2.17 -0.02 0.00 0.21 0.00 0.00 66.02 63.92 1xyx s SER 132 CO 0.55 -1.16 1.84 0.00 0.41 0.00 0.00 173.24 174.88 1xyx s ALA 133 N -3.27 2.56 0.87 1.44 0.00 -1.26 -4.22 121.76 117.87 1xyx s ALA 133 Ca 0.57 -0.09 -0.13 0.00 0.00 0.00 0.00 51.96 52.31 1xyx s ALA 133 Cb -0.11 -4.13 0.14 0.00 0.00 0.00 0.00 23.12 19.01 1xyx s ALA 133 CO 0.53 -3.18 1.22 -1.64 0.00 0.00 0.00 175.76 172.70 1xyx s MET 134 N 6.27 1.35 0.37 0.00 -1.94 -0.09 -4.97 119.30 120.30 1xyx s MET 134 Ca 0.76 -0.23 0.06 0.00 -1.71 0.00 0.00 55.69 54.57 1xyx s MET 134 Cb -0.18 -1.94 -0.00 0.00 2.01 0.00 0.00 34.83 34.71 1xyx s MET 134 CO 0.29 -1.94 0.53 0.45 -0.01 0.00 0.00 175.02 174.33 1xyx s SER 135 N -4.73 5.87 -0.42 3.03 0.15 -1.26 -4.82 113.70 111.51 1xyx s SER 135 Ca 0.68 -0.16 -0.20 0.00 0.70 0.00 0.00 55.95 56.97 1xyx s SER 135 Cb -0.07 -1.15 -0.11 0.00 -1.71 0.00 0.00 66.02 62.97 1xyx s SER 135 CO 0.50 -0.56 1.32 -2.11 1.20 0.00 0.00 173.24 173.59 1xyx n ARG 136 N -1.77 0.00 -0.57 5.44 1.85 -1.26 -4.94 116.66 115.42 1xyx n ARG 136 Ca 0.02 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.57 1xyx n ARG 136 Cb 0.58 -0.80 0.27 0.00 -1.05 0.00 0.00 32.46 31.46 1xyx n ARG 136 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1xyx s PRO 137 N 4.13 -2.20 -0.58 2.89 0.04 -1.26 -4.97 135.00 133.04 1xyx s PRO 137 Ca 0.69 0.21 0.06 0.00 0.04 0.00 0.00 61.00 62.00 1xyx s PRO 137 Cb -0.73 -1.46 0.32 0.00 0.04 0.00 0.00 34.50 32.67 1xyx s PRO 137 CO 0.30 -4.41 0.88 -1.33 0.04 0.00 0.00 177.00 172.48 1xyx n MET 138 N -5.31 2.90 -2.36 4.56 2.81 -1.26 -5.04 117.12 113.42 1xyx n MET 138 Ca 0.11 -4.71 -0.35 0.00 -1.81 0.00 0.00 57.70 50.94 1xyx n MET 138 Cb 0.59 -2.20 -0.01 0.00 -0.71 0.00 0.00 33.22 30.89 1xyx n MET 138 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1xyx s ILE 139 N -3.81 3.44 -0.26 2.02 1.01 -1.26 -5.05 121.20 117.28 1xyx s ILE 139 Ca 0.46 0.88 -0.03 0.00 0.00 0.00 0.00 60.65 61.97 1xyx s ILE 139 Cb 0.25 -3.35 0.09 0.00 0.01 0.00 0.00 42.46 39.45 1xyx s ILE 139 CO -0.10 -0.20 0.09 -1.38 0.00 0.00 0.00 174.94 173.34 1xyx s HIS 140 N -1.89 1.03 -1.19 3.97 -3.43 -1.26 -5.03 115.29 107.49 1xyx s HIS 140 Ca 0.70 -1.15 0.29 0.00 -0.80 0.00 0.00 55.06 54.10 1xyx s HIS 140 Cb -0.21 -1.22 1.24 0.00 -1.43 0.00 0.00 32.58 30.96 1xyx s HIS 140 CO 0.25 -0.76 1.90 1.19 -2.00 0.00 0.00 174.74 175.32 1xyx n PHE 141 N 5.04 0.00 -1.56 0.38 3.01 -1.26 -4.91 117.46 118.16 1xyx n PHE 141 Ca -0.06 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.29 1xyx n PHE 141 Cb 0.44 -0.38 -0.04 0.00 -0.01 0.00 0.00 39.48 39.50 1xyx n PHE 141 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xyx n GLY 142 N 1.42 0.91 3.11 1.37 0.00 -1.26 -5.01 105.19 105.72 1xyx n GLY 142 Ca 0.10 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 1xyx n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xyx s ASN 143 N -2.78 1.06 -0.06 1.61 0.01 -1.26 -5.08 114.94 108.44 1xyx s ASN 143 Ca 0.00 -0.72 -0.15 0.00 -0.71 0.00 0.00 52.86 51.28 1xyx s ASN 143 Cb 0.00 0.04 -0.11 0.00 0.41 0.00 0.00 41.25 41.60 1xyx s ASN 143 CO 0.00 -0.28 0.59 0.44 -1.51 0.00 0.00 177.10 176.34 1xyx h ASP 144 N 3.93 -0.22 -0.27 -1.22 3.32 -1.99 -2.84 116.42 117.14 1xyx h ASP 144 Ca -0.36 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.47 1xyx h ASP 144 Cb 1.19 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 1xyx h ASP 144 CO 0.49 0.32 0.13 4.11 -1.72 0.00 0.00 179.24 182.57 1xyx h TRP 145 N -0.99 0.45 0.41 4.55 5.08 -1.99 -1.98 115.95 121.47 1xyx h TRP 145 Ca -0.03 -0.01 -0.02 0.00 1.08 0.00 0.00 58.89 59.91 1xyx h TRP 145 Cb 0.41 -0.14 0.00 0.00 -3.00 0.00 0.00 29.16 26.43 1xyx h TRP 145 CO 0.05 0.36 -0.20 0.93 -1.28 0.00 0.00 178.44 178.31 1xyx h GLU 146 N 0.46 -0.54 0.00 0.12 5.08 -1.99 0.02 114.58 117.73 1xyx h GLU 146 Ca 0.11 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1xyx h GLU 146 Cb 0.10 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1xyx h GLU 146 CO -0.01 -0.26 -0.00 -0.44 -1.00 0.00 0.00 179.01 177.30 1xyx h ASP 147 N -0.76 0.00 0.28 1.42 3.32 -1.12 0.12 116.42 119.69 1xyx h ASP 147 Ca -0.06 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1xyx h ASP 147 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1xyx h ASP 147 CO 0.09 0.00 -0.14 0.03 -1.72 0.00 0.00 179.24 177.51 1xyx h ARG 148 N 0.00 -0.37 -0.89 3.56 -0.00 -1.28 -3.36 114.38 112.05 1xyx h ARG 148 Ca -0.00 0.03 0.23 0.00 -0.50 0.00 0.00 59.98 59.74 1xyx h ARG 148 Cb 0.03 0.08 -0.16 0.00 0.00 0.00 0.00 29.97 29.93 1xyx h ARG 148 CO 0.00 -0.25 0.09 -0.92 0.00 0.00 0.00 179.97 178.89 1xyx h TYR 149 N -0.87 0.08 -0.43 3.04 3.20 0.12 0.35 116.97 122.46 1xyx h TYR 149 Ca -0.04 0.06 0.08 0.00 3.14 0.00 0.00 58.73 61.97 1xyx h TYR 149 Cb 0.29 0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.60 1xyx h TYR 149 CO 0.02 -0.31 -0.00 -0.92 -1.64 0.00 0.00 178.16 175.30 1xyx h TYR 150 N 0.10 -0.03 0.00 -3.82 5.03 -1.24 -1.46 116.97 115.54 1xyx h TYR 150 Ca 0.53 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.84 1xyx h TYR 150 Cb 1.05 0.08 -0.00 0.00 1.55 0.00 0.00 36.73 39.41 1xyx h TYR 150 CO -0.40 -0.09 -0.14 0.00 -1.32 0.00 0.00 178.16 176.21 1xyx h ARG 151 N 0.10 0.00 -0.01 1.82 3.08 -0.45 -1.31 114.38 117.61 1xyx h ARG 151 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1xyx h ARG 151 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1xyx h ARG 151 CO -0.36 0.14 -0.12 0.39 -1.07 0.00 0.00 179.97 178.95 1xyx n GLU 152 N -3.86 1.39 0.00 0.04 -0.58 -0.58 -4.26 120.64 112.79 1xyx n GLU 152 Ca -0.02 -0.87 0.00 0.00 -0.42 0.00 0.00 57.16 55.85 1xyx n GLU 152 Cb 0.23 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 1xyx n GLU 152 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xyx n ASN 153 N -0.05 0.12 0.32 1.62 3.02 -0.93 -4.91 115.26 114.46 1xyx n ASN 153 Ca 0.16 -0.67 0.19 0.00 -0.03 0.00 0.00 54.58 54.23 1xyx n ASN 153 Cb 0.38 0.07 1.04 0.00 -0.61 0.00 0.00 39.78 40.66 1xyx n ASN 153 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xyx h MET 154 N 0.00 0.00 0.00 3.52 -0.00 -1.43 -0.21 114.93 116.80 1xyx h MET 154 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 1xyx h MET 154 Cb 0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.85 1xyx h MET 154 CO 0.00 0.00 -0.11 0.10 -0.00 0.00 0.00 176.91 176.90 1xyx h TYR 155 N 0.00 0.00 0.00 -0.10 -0.00 -1.91 -3.10 116.97 111.87 1xyx h TYR 155 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1xyx h TYR 155 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.91 1xyx h TYR 155 CO 0.00 0.11 0.00 0.54 -0.00 0.00 0.00 178.16 178.81 1xyx n ARG 156 N -3.38 0.15 -4.29 0.10 5.12 -0.09 -4.79 116.66 109.46 1xyx n ARG 156 Ca -0.01 0.43 -0.24 0.00 -1.93 0.00 0.00 57.85 56.11 1xyx n ARG 156 Cb 0.29 -1.81 -0.08 0.00 -1.16 0.00 0.00 32.46 29.70 1xyx n ARG 156 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1xyx s TYR 157 N -3.29 2.60 0.83 -1.55 2.02 -1.17 -5.12 117.35 111.67 1xyx s TYR 157 Ca 0.03 -0.34 -0.11 0.00 -0.37 0.00 0.00 57.07 56.29 1xyx s TYR 157 Cb 0.08 -1.36 0.09 0.00 -0.40 0.00 0.00 41.96 40.37 1xyx s TYR 157 CO 0.32 0.53 1.09 -1.25 -1.57 0.00 0.00 175.55 174.67 1xyx s PRO 158 N -3.70 1.81 0.00 -1.71 0.04 -1.26 -4.96 135.00 125.22 1xyx s PRO 158 Ca 0.34 0.98 0.24 0.00 0.04 0.00 0.00 61.00 62.60 1xyx s PRO 158 Cb -0.03 -1.86 0.17 0.00 0.04 0.00 0.00 34.50 32.82 1xyx s PRO 158 CO 0.20 -1.90 1.24 0.09 0.04 0.00 0.00 177.00 176.66 1xyx n ASN 159 N -3.67 2.80 -4.13 6.66 4.13 -1.26 -5.00 115.26 114.78 1xyx n ASN 159 Ca 0.08 -1.90 -0.09 0.00 1.68 0.00 0.00 54.58 54.35 1xyx n ASN 159 Cb 0.54 0.09 -0.10 0.00 -1.54 0.00 0.00 39.78 38.77 1xyx n ASN 159 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1xyx s GLN 160 N -2.09 0.75 0.07 3.52 -0.21 -1.26 -0.91 119.66 119.54 1xyx s GLN 160 Ca 0.26 -1.31 -0.05 0.00 0.02 0.00 0.00 55.36 54.29 1xyx s GLN 160 Cb 0.20 0.05 -0.02 0.00 1.00 0.00 0.00 33.01 34.24 1xyx s GLN 160 CO 0.35 -0.10 0.07 0.14 -2.12 0.00 0.00 175.29 173.63 1xyx s VAL 161 N -3.83 0.18 0.06 1.09 -7.23 -1.26 -4.97 120.40 104.44 1xyx s VAL 161 Ca 0.12 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 1xyx s VAL 161 Cb 0.07 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.52 1xyx s VAL 161 CO -0.06 -0.83 0.20 -0.31 -0.31 0.00 0.00 175.10 173.79 1xyx s TYR 162 N -3.89 3.49 0.36 2.82 2.02 -1.26 -1.28 117.35 119.60 1xyx s TYR 162 Ca 0.06 0.24 -0.12 0.00 -0.37 0.00 0.00 57.07 56.89 1xyx s TYR 162 Cb 0.07 -1.75 0.05 0.00 -0.40 0.00 0.00 41.96 39.92 1xyx s TYR 162 CO -0.10 0.59 0.68 2.48 -1.57 0.00 0.00 175.55 177.63 1xyx n TYR 163 N 0.36 -2.12 -3.86 2.71 4.11 -0.15 -4.71 117.16 113.49 1xyx n TYR 163 Ca -0.06 -1.79 -0.26 0.00 -0.00 0.00 0.00 57.90 55.80 1xyx n TYR 163 Cb 0.51 0.80 -0.03 0.00 -0.00 0.00 0.00 39.34 40.62 1xyx n TYR 163 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1xyx s ARG 164 N -2.19 3.46 0.60 -3.48 1.81 -1.26 -0.20 118.95 117.70 1xyx s ARG 164 Ca 0.17 -0.54 -0.19 0.00 -1.72 0.00 0.00 55.73 53.44 1xyx s ARG 164 Cb -0.04 -2.91 -0.03 0.00 -0.45 0.00 0.00 34.95 31.52 1xyx s ARG 164 CO 0.12 0.46 1.25 -0.35 -0.68 0.00 0.00 175.30 176.10 1xyx n PRO 165 N -0.76 1.27 0.00 3.54 -0.04 -1.26 -4.88 135.00 132.87 1xyx n PRO 165 Ca -0.07 0.48 0.08 0.00 -0.04 0.00 0.00 63.50 63.96 1xyx n PRO 165 Cb 0.54 -2.47 0.37 0.00 -0.04 0.00 0.00 33.50 31.90 1xyx n PRO 165 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1xyx n VAL 166 N -1.57 0.77 0.06 0.52 0.24 -1.26 -3.21 118.33 113.88 1xyx n VAL 166 Ca 0.14 0.19 -0.02 0.00 -2.04 0.00 0.00 64.34 62.61 1xyx n VAL 166 Cb 0.47 -0.91 -0.01 0.00 -1.47 0.00 0.00 33.84 31.91 1xyx n VAL 166 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1xyx h ASP 167 N 0.00 -0.12 -0.79 -1.34 1.82 -2.01 -3.31 116.42 110.67 1xyx h ASP 167 Ca 0.00 0.00 -0.63 0.00 -0.39 0.00 0.00 57.03 56.02 1xyx h ASP 167 Cb 0.25 0.03 -0.10 0.00 0.68 0.00 0.00 39.33 40.19 1xyx h ASP 167 CO 0.00 -0.09 2.05 1.67 -1.61 0.00 0.00 179.24 181.26 1xyx n GLN 168 N -2.40 3.74 -1.75 0.28 7.27 -1.20 -4.93 117.38 118.39 1xyx n GLN 168 Ca -0.02 -2.75 -0.29 0.00 0.07 0.00 0.00 57.00 54.01 1xyx n GLN 168 Cb 0.06 -2.51 0.09 0.00 2.41 0.00 0.00 30.24 30.29 1xyx n GLN 168 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 1xyx s TYR 169 N -0.39 2.93 0.17 3.69 5.04 -1.25 -4.88 117.35 122.67 1xyx s TYR 169 Ca 0.60 0.92 0.00 0.00 -2.44 0.00 0.00 57.07 56.15 1xyx s TYR 169 Cb 0.24 -3.29 0.00 0.00 0.35 0.00 0.00 41.96 39.25 1xyx s TYR 169 CO -0.11 -1.75 0.00 0.45 -1.34 0.00 0.00 175.55 172.81 1xyx n SER 170 N -3.36 -0.95 -3.77 4.32 2.88 -1.26 -5.13 113.62 106.35 1xyx n SER 170 Ca 0.07 0.32 -0.23 0.00 -1.33 0.00 0.00 58.87 57.70 1xyx n SER 170 Cb 0.59 1.06 -0.18 0.00 -0.75 0.00 0.00 64.21 64.93 1xyx n SER 170 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1xyx s ASN 171 N -3.10 1.62 0.11 -3.46 0.01 -1.26 -5.05 114.94 103.81 1xyx s ASN 171 Ca 0.00 -0.10 -0.21 0.00 -0.71 0.00 0.00 52.86 51.83 1xyx s ASN 171 Cb 0.00 -0.45 -0.09 0.00 0.41 0.00 0.00 41.25 41.12 1xyx s ASN 171 CO 0.00 -0.19 1.73 -0.61 -1.51 0.00 0.00 177.10 176.51 1xyx h GLN 172 N 8.32 0.02 -0.26 -0.60 -0.00 -2.00 -1.04 115.11 119.56 1xyx h GLN 172 Ca -0.20 -0.00 0.05 0.00 -0.00 0.00 0.00 58.65 58.50 1xyx h GLN 172 Cb 1.12 -0.01 -0.05 0.00 0.00 0.00 0.00 27.48 28.55 1xyx h GLN 172 CO 0.26 0.02 -0.04 -0.97 0.00 0.00 0.00 178.83 178.10 1xyx h ASN 173 N 0.03 -0.18 -0.33 -0.69 -0.00 -1.98 0.25 115.58 112.67 1xyx h ASN 173 Ca 0.04 0.07 -0.15 0.00 -0.00 0.00 0.00 56.30 56.26 1xyx h ASN 173 Cb 0.06 0.14 -0.01 0.00 -0.00 0.00 0.00 38.32 38.50 1xyx h ASN 173 CO -0.08 -0.06 -0.36 0.78 -0.00 0.00 0.00 177.43 177.71 1xyx h ASN 174 N 0.03 0.93 -0.65 1.15 2.35 -1.94 -1.76 115.58 115.70 1xyx h ASN 174 Ca 0.12 -0.41 -0.03 0.00 -0.55 0.00 0.00 56.30 55.43 1xyx h ASN 174 Cb 0.18 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 1xyx h ASN 174 CO -0.24 1.19 0.28 0.15 -1.65 0.00 0.00 177.43 177.16 1xyx h PHE 175 N 0.72 0.96 -0.01 1.19 3.57 -0.78 -0.77 116.94 121.82 1xyx h PHE 175 Ca 0.07 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1xyx h PHE 175 Cb 0.94 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 1xyx h PHE 175 CO 0.06 0.74 -0.43 0.28 -2.23 0.00 0.00 178.31 176.73 1xyx h VAL 176 N 0.90 0.00 -0.51 1.41 2.07 -0.35 -1.01 116.25 118.76 1xyx h VAL 176 Ca 0.22 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.84 1xyx h VAL 176 Cb 0.17 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.85 1xyx h VAL 176 CO -0.02 0.00 -0.05 -0.74 0.02 0.00 0.00 177.57 176.78 1xyx h HIS 177 N -0.52 -0.12 -0.17 1.57 -0.00 -1.10 0.32 115.15 115.13 1xyx h HIS 177 Ca 0.01 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.41 1xyx h HIS 177 Cb 0.57 0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 28.10 1xyx h HIS 177 CO -0.50 -0.16 0.07 0.22 -0.00 0.00 0.00 177.93 177.56 1xyx h ASP 178 N 0.07 0.23 -0.23 3.26 1.82 -0.79 0.63 116.42 121.40 1xyx h ASP 178 Ca 0.26 -0.15 -0.05 0.00 -0.39 0.00 0.00 57.03 56.69 1xyx h ASP 178 Cb 0.40 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 1xyx h ASP 178 CO -0.47 0.32 -0.06 0.00 -1.61 0.00 0.00 179.24 177.42 1xyx h VAL 180 N 0.18 0.60 0.00 0.00 2.07 -0.72 0.39 116.25 118.77 1xyx h VAL 180 Ca 0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1xyx h VAL 180 Cb 0.51 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1xyx h VAL 180 CO 0.02 0.00 -0.12 -1.13 0.02 0.00 0.00 177.57 176.36 1xyx h ASN 181 N 0.00 0.00 0.01 0.57 -1.24 -0.66 -3.34 115.58 110.92 1xyx h ASN 181 Ca 0.15 -0.42 -0.00 0.00 0.71 0.00 0.00 56.30 56.74 1xyx h ASN 181 Cb 0.71 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.76 1xyx h ASN 181 CO -0.00 0.78 -0.00 0.40 -1.29 0.00 0.00 177.43 177.31 1xyx h ILE 182 N -1.00 1.07 -0.53 2.57 1.08 -0.58 0.13 117.51 120.26 1xyx h ILE 182 Ca -0.02 -0.24 -0.06 0.00 -0.39 0.00 0.00 64.86 64.15 1xyx h ILE 182 Cb 0.51 1.24 -0.02 0.00 -3.07 0.00 0.00 36.82 35.48 1xyx h ILE 182 CO -0.01 0.06 0.11 0.74 -0.69 0.00 0.00 178.15 178.36 1xyx h THR 183 N -0.12 1.25 -0.06 -0.27 2.02 -1.18 0.12 112.91 114.67 1xyx h THR 183 Ca -0.00 -0.90 0.03 0.00 0.77 0.00 0.00 66.41 66.31 1xyx h THR 183 Cb 0.11 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 1xyx h THR 183 CO 0.00 0.33 -0.15 0.40 0.37 0.00 0.00 175.52 176.46 1xyx h ILE 184 N 0.75 0.61 -0.23 3.11 2.04 -1.64 -0.81 117.51 121.33 1xyx h ILE 184 Ca 0.16 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.08 1xyx h ILE 184 Cb 0.36 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 36.98 1xyx h ILE 184 CO 0.01 0.00 -0.24 0.50 0.00 0.00 0.00 178.15 178.42 1xyx h LYS 185 N -0.22 -0.24 -0.30 2.37 3.11 -0.21 0.12 116.57 121.19 1xyx h LYS 185 Ca 0.07 0.02 0.04 0.00 -2.81 0.00 0.00 60.65 57.96 1xyx h LYS 185 Cb 0.32 0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.57 1xyx h LYS 185 CO -0.19 -0.16 0.09 1.96 -2.81 0.00 0.00 179.45 178.34 1xyx h GLN 186 N -0.25 0.22 -0.98 1.90 7.50 -0.13 0.42 115.11 123.79 1xyx h GLN 186 Ca 0.13 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.27 1xyx h GLN 186 Cb 0.46 -0.05 -0.05 0.00 0.05 0.00 0.00 27.48 27.89 1xyx h GLN 186 CO -0.38 0.14 0.62 1.25 -1.50 0.00 0.00 178.83 178.96 1xyx h HIS 187 N 0.22 1.26 -0.07 2.96 2.76 -0.68 0.30 115.15 121.90 1xyx h HIS 187 Ca 0.14 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1xyx h HIS 187 Cb 0.11 -0.42 0.00 0.00 1.55 0.00 0.00 27.41 28.66 1xyx h HIS 187 CO -0.14 0.82 0.00 2.41 -1.30 0.00 0.00 177.93 179.71 1xyx n THR 188 N -4.37 0.09 0.03 6.26 -1.04 0.36 -3.43 114.28 112.18 1xyx n THR 188 Ca 0.11 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1xyx n THR 188 Cb 0.04 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1xyx n THR 188 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1xyx n VAL 189 N -0.36 0.05 0.03 12.58 0.31 0.14 -4.38 118.33 126.70 1xyx n VAL 189 Ca 0.13 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1xyx n VAL 189 Cb 0.15 -0.29 0.02 0.00 -0.91 0.00 0.00 33.84 32.82 1xyx n VAL 189 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1xyx n THR 190 N -2.75 1.79 -0.02 2.52 5.66 0.99 -0.38 114.28 122.09 1xyx n THR 190 Ca 0.00 0.45 -0.02 0.00 -3.05 0.00 0.00 64.05 61.42 1xyx n THR 190 Cb 0.00 -1.43 -0.03 0.00 -1.55 0.00 0.00 70.33 67.32 1xyx n THR 190 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1xyx n THR 191 N -1.46 0.27 0.17 1.09 -1.04 -1.21 -4.73 114.28 107.38 1xyx n THR 191 Ca 0.00 -0.15 0.03 0.00 -2.04 0.00 0.00 64.05 61.89 1xyx n THR 191 Cb 0.01 -0.83 0.30 0.00 -1.82 0.00 0.00 70.33 68.00 1xyx n THR 191 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1xyx h THR 192 N 0.00 1.14 0.00 12.58 2.02 -0.82 -0.71 112.91 127.12 1xyx h THR 192 Ca -0.11 -1.63 0.00 0.00 0.77 0.00 0.00 66.41 65.44 1xyx h THR 192 Cb 1.22 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 1xyx h THR 192 CO -0.00 0.44 0.05 1.07 0.37 0.00 0.00 175.52 177.44 1xyx n THR 193 N -3.74 1.25 -0.01 3.16 5.66 0.49 -2.19 114.28 118.90 1xyx n THR 193 Ca -0.01 0.66 -0.00 0.00 -3.05 0.00 0.00 64.05 61.65 1xyx n THR 193 Cb 0.51 -1.66 -0.02 0.00 -1.55 0.00 0.00 70.33 67.61 1xyx n THR 193 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1xyx n LYS 194 N -1.98 2.25 0.00 1.09 4.01 -0.67 -5.02 118.16 117.84 1xyx n LYS 194 Ca -0.01 -0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 1xyx n LYS 194 Cb 0.07 -1.06 0.00 0.00 -0.51 0.00 0.00 35.03 33.52 1xyx n LYS 194 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1xyx n GLY 195 N 2.66 -0.99 3.50 0.72 0.00 -0.69 -5.11 105.19 105.28 1xyx n GLY 195 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1xyx n GLY 195 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xyx s GLU 196 N 0.00 3.26 0.31 1.61 2.12 -0.36 -4.89 118.70 120.75 1xyx s GLU 196 Ca 0.00 -0.46 0.02 0.00 0.36 0.00 0.00 54.97 54.89 1xyx s GLU 196 Cb 0.00 -4.09 -0.01 0.00 0.26 0.00 0.00 34.13 30.29 1xyx s GLU 196 CO 0.00 -1.50 0.07 -1.71 -0.54 0.00 0.00 175.26 171.58 1xyx n ASN 197 N 7.29 1.75 -3.94 -1.70 2.85 -1.26 -2.27 115.26 117.97 1xyx n ASN 197 Ca -0.01 -2.54 -0.09 0.00 -0.11 0.00 0.00 54.58 51.84 1xyx n ASN 197 Cb 0.47 0.57 -0.09 0.00 1.24 0.00 0.00 39.78 41.97 1xyx n ASN 197 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1xyx s PHE 198 N -2.51 0.25 0.47 1.20 0.08 -1.26 -5.11 117.98 111.09 1xyx s PHE 198 Ca 0.10 -0.62 -0.08 0.00 0.12 0.00 0.00 56.93 56.45 1xyx s PHE 198 Cb 0.00 -0.17 -0.05 0.00 -0.57 0.00 0.00 43.02 42.24 1xyx s PHE 198 CO 0.07 -0.40 0.81 0.95 -0.10 0.00 0.00 175.22 176.55 1xyx s THR 199 N -3.07 4.83 0.38 0.64 -4.23 -1.26 -4.82 115.64 108.11 1xyx s THR 199 Ca -0.01 0.46 0.16 0.00 -1.18 0.00 0.00 61.69 61.11 1xyx s THR 199 Cb 0.02 -3.81 0.37 0.00 1.34 0.00 0.00 72.50 70.41 1xyx s THR 199 CO -0.07 -0.75 1.78 -0.08 -0.54 0.00 0.00 174.62 174.97 1xyx h GLU 200 N 0.59 0.46 -0.00 3.99 4.81 -2.02 0.33 114.58 122.74 1xyx h GLU 200 Ca -0.47 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1xyx h GLU 200 Cb 1.20 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 1xyx h GLU 200 CO 0.63 0.30 0.00 1.15 -0.73 0.00 0.00 179.01 180.36 1xyx h THR 201 N 0.47 1.16 -0.53 0.32 2.02 -1.99 0.59 112.91 114.95 1xyx h THR 201 Ca 0.58 -0.48 0.05 0.00 0.77 0.00 0.00 66.41 67.33 1xyx h THR 201 Cb 1.34 1.48 -0.05 0.00 -1.74 0.00 0.00 68.15 69.18 1xyx h THR 201 CO -0.30 0.12 0.26 0.44 0.37 0.00 0.00 175.52 176.41 1xyx h ASP 202 N -0.20 0.35 -0.26 4.18 3.32 -0.89 -1.65 116.42 121.28 1xyx h ASP 202 Ca 0.00 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.14 1xyx h ASP 202 Cb 0.20 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 1xyx h ASP 202 CO -0.00 0.24 -0.02 0.58 -1.72 0.00 0.00 179.24 178.32 1xyx h VAL 203 N 0.49 0.79 0.00 -1.35 2.07 -0.36 0.27 116.25 118.15 1xyx h VAL 203 Ca 0.24 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.68 1xyx h VAL 203 Cb 0.18 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1xyx h VAL 203 CO -0.19 0.01 -0.30 0.07 0.02 0.00 0.00 177.57 177.18 1xyx h LYS 204 N 0.05 0.00 0.00 1.57 2.10 -0.60 -1.19 116.57 118.50 1xyx h LYS 204 Ca 0.12 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.59 1xyx h LYS 204 Cb 0.17 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.47 1xyx h LYS 204 CO -0.22 0.30 -0.86 0.52 -2.00 0.00 0.00 179.45 177.19 1xyx h MET 205 N 0.00 0.01 -0.62 0.07 2.86 -0.33 -2.82 114.93 114.10 1xyx h MET 205 Ca -0.00 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1xyx h MET 205 Cb 0.59 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 1xyx h MET 205 CO 0.04 0.86 0.28 0.52 1.06 0.00 0.00 176.91 179.67 1xyx h MET 206 N 0.00 0.90 -0.02 1.72 2.86 0.09 -0.61 114.93 119.87 1xyx h MET 206 Ca -0.01 -0.15 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1xyx h MET 206 Cb 1.51 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 33.01 1xyx h MET 206 CO 0.11 0.74 0.03 0.93 1.06 0.00 0.00 176.91 179.78 1xyx h GLU 207 N 0.85 0.00 0.01 1.72 5.08 -1.06 0.12 114.58 121.30 1xyx h GLU 207 Ca 0.21 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1xyx h GLU 207 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1xyx h GLU 207 CO -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 179.01 177.98 1xyx h ARG 208 N 0.00 -0.01 -0.30 2.33 2.47 -1.13 -3.26 114.38 114.48 1xyx h ARG 208 Ca 0.01 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.69 1xyx h ARG 208 Cb 0.07 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 1xyx h ARG 208 CO -0.00 0.83 0.02 -0.24 0.56 0.00 0.00 179.97 181.14 1xyx h VAL 209 N -0.94 1.25 -0.05 2.04 3.04 -0.57 -1.33 116.25 119.68 1xyx h VAL 209 Ca -0.00 -0.87 -0.11 0.00 -1.01 0.00 0.00 66.70 64.70 1xyx h VAL 209 Cb 0.84 1.23 -0.01 0.00 -2.01 0.00 0.00 31.29 31.34 1xyx h VAL 209 CO 0.00 0.28 -0.48 0.58 -1.01 0.00 0.00 177.57 176.94 1xyx h VAL 210 N 0.32 1.34 0.31 1.51 2.07 -0.97 0.13 116.25 120.96 1xyx h VAL 210 Ca 0.09 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 65.92 1xyx h VAL 210 Cb 0.39 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1xyx h VAL 210 CO 0.01 0.49 -0.15 -0.08 0.02 0.00 0.00 177.57 177.86 1xyx h GLU 211 N 0.10 -0.40 -0.69 1.57 4.81 -1.57 -0.69 114.58 117.71 1xyx h GLU 211 Ca 0.00 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.34 1xyx h GLU 211 Cb 0.89 0.09 -0.07 0.00 0.63 0.00 0.00 28.75 30.29 1xyx h GLU 211 CO 0.07 -0.26 0.35 1.96 -0.73 0.00 0.00 179.01 180.40 1xyx h GLN 212 N -0.44 0.59 0.14 1.92 1.08 -1.10 0.68 115.11 117.99 1xyx h GLN 212 Ca -0.04 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.14 1xyx h GLN 212 Cb 0.32 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.58 1xyx h GLN 212 CO 0.07 0.39 -0.31 0.52 -0.95 0.00 0.00 178.83 178.55 1xyx h MET 213 N 0.61 -0.52 0.00 1.46 2.86 -0.81 -2.07 114.93 116.46 1xyx h MET 213 Ca 0.33 0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.91 1xyx h MET 213 Cb 0.32 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1xyx h MET 213 CO -0.25 -0.35 -0.46 0.00 1.06 0.00 0.00 176.91 176.91 1xyx h VAL 215 N 0.00 0.26 -0.43 0.00 2.07 -0.84 0.32 116.25 117.64 1xyx h VAL 215 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1xyx h VAL 215 Cb 0.90 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1xyx h VAL 215 CO 0.06 0.00 0.18 0.74 0.02 0.00 0.00 177.57 178.57 1xyx h THR 216 N -0.60 1.20 -0.39 2.57 2.02 -0.92 -2.12 112.91 114.67 1xyx h THR 216 Ca 0.02 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 66.56 1xyx h THR 216 Cb 0.62 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1xyx h THR 216 CO -0.19 0.22 0.10 -0.61 0.37 0.00 0.00 175.52 175.41 1xyx h GLN 217 N 0.55 0.62 0.01 6.66 5.75 -0.44 0.23 115.11 128.49 1xyx h GLN 217 Ca 0.14 -0.15 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1xyx h GLN 217 Cb 0.18 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 1xyx h GLN 217 CO -0.01 0.64 -0.15 -0.92 -2.65 0.00 0.00 178.83 175.74 1xyx h TYR 218 N 0.48 -0.40 -0.80 3.99 3.20 -0.95 -1.72 116.97 120.78 1xyx h TYR 218 Ca 0.12 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1xyx h TYR 218 Cb 0.30 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 1xyx h TYR 218 CO 0.02 -0.23 0.44 1.96 -1.64 0.00 0.00 178.16 178.71 1xyx h GLN 219 N -0.26 1.11 -0.82 1.82 4.20 -0.94 -0.01 115.11 120.22 1xyx h GLN 219 Ca 0.05 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1xyx h GLN 219 Cb 0.32 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 1xyx h GLN 219 CO -0.14 0.81 0.50 0.87 -0.67 0.00 0.00 178.83 180.19 1xyx h LYS 220 N 1.12 1.11 -0.19 1.46 1.57 -0.30 0.16 116.57 121.50 1xyx h LYS 220 Ca 0.28 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.86 1xyx h LYS 220 Cb 0.02 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 1xyx h LYS 220 CO -0.05 0.78 -0.29 0.93 -0.57 0.00 0.00 179.45 180.25 1xyx h GLU 221 N 1.13 0.54 -0.77 3.15 4.39 -0.61 -1.08 114.58 121.32 1xyx h GLU 221 Ca 0.30 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1xyx h GLU 221 Cb -0.05 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 1xyx h GLU 221 CO -0.06 0.92 0.48 0.77 -1.16 0.00 0.00 179.01 179.97 1xyx h SER 222 N 0.20 0.91 -0.45 1.42 0.02 -0.85 -2.19 113.55 112.61 1xyx h SER 222 Ca 0.02 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 1xyx h SER 222 Cb 0.87 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 1xyx h SER 222 CO 0.07 0.68 -0.03 -0.61 -1.14 0.00 0.00 176.83 175.80 1xyx h GLN 223 N 1.06 0.81 -0.47 3.45 4.15 -0.50 0.12 115.11 123.73 1xyx h GLN 223 Ca 0.28 -0.27 0.09 0.00 0.77 0.00 0.00 58.65 59.51 1xyx h GLN 223 Cb -0.07 -0.07 -0.07 0.00 0.21 0.00 0.00 27.48 27.48 1xyx h GLN 223 CO -0.06 0.89 0.04 0.00 -1.93 0.00 0.00 178.83 177.77 1xyx h ALA 224 N 0.90 0.48 0.00 3.38 0.00 -0.98 0.17 119.26 123.21 1xyx h ALA 224 Ca 0.12 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1xyx h ALA 224 Cb 0.54 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1xyx h ALA 224 CO 0.03 -0.36 -0.22 -0.92 0.00 0.00 0.00 179.25 177.79 1xyx h TYR 225 N 0.16 0.00 0.01 0.00 5.03 -0.74 0.14 116.97 121.58 1xyx h TYR 225 Ca 0.24 0.00 -0.29 0.00 2.58 0.00 0.00 58.73 61.25 1xyx h TYR 225 Cb 0.34 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 38.57 1xyx h TYR 225 CO -0.27 0.22 -1.69 1.88 -1.32 0.00 0.00 178.16 176.98 1xyx h TYR 226 N 0.00 0.05 0.00 -3.82 0.05 -0.19 -3.37 116.97 109.69 1xyx h TYR 226 Ca -0.00 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1xyx h TYR 226 Cb 0.62 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.36 1xyx h TYR 226 CO 0.00 1.08 -1.11 -3.47 -1.05 0.00 0.00 178.16 173.61 1xyx n ASP 227 N -3.11 0.72 -2.03 3.88 2.03 0.56 -4.44 116.55 114.15 1xyx n ASP 227 Ca -0.17 0.24 -0.23 0.00 0.52 0.00 0.00 54.79 55.15 1xyx n ASP 227 Cb 1.05 0.65 0.09 0.00 -0.72 0.00 0.00 41.12 42.18 1xyx n ASP 227 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xyx n GLY 228 N 1.21 4.55 0.74 0.27 0.00 0.48 -3.90 105.19 108.55 1xyx n GLY 228 Ca -0.00 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1xyx n GLY 228 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xyx n ARG 229 N -0.45 0.00 -3.48 1.61 -4.01 -1.26 -4.94 116.66 104.13 1xyx n ARG 229 Ca 0.46 -1.00 -0.31 0.00 -1.04 0.00 0.00 57.85 55.95 1xyx n ARG 229 Cb 0.90 -0.22 -0.07 0.00 -3.04 0.00 0.00 32.46 30.03 1xyx n ARG 229 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 1xyx n ARG 230 N 0.10 2.74 -1.79 2.89 1.74 -1.25 -4.90 116.66 116.18 1xyx n ARG 230 Ca -0.01 -4.59 -0.40 0.00 -0.77 0.00 0.00 57.85 52.08 1xyx n ARG 230 Cb 0.75 -2.33 -0.03 0.00 -1.02 0.00 0.00 32.46 29.83 1xyx n ARG 230 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1xyx n SER 231 N 1.37 3.53 -0.54 0.55 7.64 -1.26 -5.19 113.62 119.72 1xyx n SER 231 Ca 0.26 -2.78 0.07 0.00 1.01 0.00 0.00 58.87 57.43 1xyx n SER 231 Cb 0.38 -1.53 0.06 0.00 -1.01 0.00 0.00 64.21 62.11 1xyx n SER 231 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83