#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 -1.78 0.42 1.55 0.31 -1.26 -2.06 118.33 115.51 1xyx n VAL 122 Ca 0.00 0.02 0.12 0.00 -0.01 0.00 0.00 64.34 64.47 1xyx n VAL 122 Cb 0.00 -1.62 0.48 0.00 -0.91 0.00 0.00 33.84 31.79 1xyx n VAL 122 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xyx n GLY 123 N -0.37 -1.32 0.00 2.92 0.00 -1.26 -0.69 105.19 104.48 1xyx n GLY 123 Ca -0.08 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1xyx n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyx n GLY 124 N 0.13 -1.05 0.17 -0.02 0.00 -1.26 -3.34 105.19 99.82 1xyx n GLY 124 Ca 0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 1xyx n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xyx n LEU 125 N -1.44 2.54 0.00 0.99 7.99 -0.47 -5.03 117.00 121.58 1xyx n LEU 125 Ca 0.06 -0.02 0.00 0.00 -0.01 0.00 0.00 56.01 56.04 1xyx n LEU 125 Cb 0.19 -0.31 0.00 0.00 -0.11 0.00 0.00 43.42 43.19 1xyx n LEU 125 CO 0.16 0.56 0.00 0.61 -1.51 0.00 0.00 177.39 177.21 1xyx n GLY 126 N 2.94 0.79 0.43 -0.72 0.00 0.14 -4.63 105.19 104.13 1xyx n GLY 126 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.87 0.64 3.70 -0.02 0.00 -0.88 -4.96 105.19 101.81 1xyx n GLY 127 Ca 0.00 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1xyx n GLY 127 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xyx n TYR 128 N -0.55 1.50 -2.03 1.61 4.02 -1.26 -4.98 117.16 115.48 1xyx n TYR 128 Ca 0.00 0.41 -0.41 0.00 -0.01 0.00 0.00 57.90 57.89 1xyx n TYR 128 Cb 0.18 -2.18 -0.02 0.00 -0.02 0.00 0.00 39.34 37.31 1xyx n TYR 128 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 1xyx s MET 129 N -3.68 4.28 -0.05 -0.72 -2.45 -0.51 -4.88 119.30 111.30 1xyx s MET 129 Ca 0.78 2.32 0.02 0.00 -1.25 0.00 0.00 55.69 57.56 1xyx s MET 129 Cb -0.34 -3.04 0.01 0.00 1.25 0.00 0.00 34.83 32.71 1xyx s MET 129 CO 0.46 -0.29 -0.11 -1.17 1.05 0.00 0.00 175.02 174.96 1xyx s LEU 130 N -1.82 1.68 0.99 4.11 2.96 -1.26 -0.64 118.68 124.69 1xyx s LEU 130 Ca 0.50 -0.25 -0.15 0.00 -0.22 0.00 0.00 54.13 54.01 1xyx s LEU 130 Cb -0.42 -0.72 0.19 0.00 0.50 0.00 0.00 46.19 45.74 1xyx s LEU 130 CO 0.55 0.05 1.21 -0.83 -1.32 0.00 0.00 176.35 176.01 1xyx s GLY 131 N 0.49 1.66 0.73 7.98 0.00 0.03 -4.99 107.32 113.21 1xyx s GLY 131 Ca -0.10 -0.89 -0.11 0.00 0.00 0.00 0.00 44.72 43.62 1xyx s GLY 131 CO 0.02 -0.18 1.07 -0.56 0.00 0.00 0.00 173.10 173.45 1xyx s SER 132 N -4.38 5.11 0.09 1.64 0.01 -1.26 -4.65 113.70 110.26 1xyx s SER 132 Ca 0.69 1.53 -0.35 0.00 1.31 0.00 0.00 55.95 59.14 1xyx s SER 132 Cb -0.09 -2.37 -0.14 0.00 0.21 0.00 0.00 66.02 63.63 1xyx s SER 132 CO 0.53 -1.60 1.57 0.00 0.41 0.00 0.00 173.24 174.15 1xyx n ALA 133 N -3.22 0.71 -3.94 1.44 0.00 -1.26 -4.38 120.51 109.86 1xyx n ALA 133 Ca 0.07 0.44 -0.28 0.00 0.00 0.00 0.00 53.44 53.67 1xyx n ALA 133 Cb 0.54 -2.30 -0.00 0.00 0.00 0.00 0.00 19.45 17.68 1xyx n ALA 133 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1xyx n MET 134 N 3.75 0.72 -4.33 0.00 2.81 0.15 -4.97 117.12 115.24 1xyx n MET 134 Ca 0.18 -3.33 -0.17 0.00 -1.81 0.00 0.00 57.70 52.57 1xyx n MET 134 Cb 0.26 0.40 -0.10 0.00 -0.71 0.00 0.00 33.22 33.07 1xyx n MET 134 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1xyx s SER 135 N -4.08 2.07 -0.49 7.83 0.15 -1.26 -4.88 113.70 113.04 1xyx s SER 135 Ca 0.28 -1.15 -0.46 0.00 0.70 0.00 0.00 55.95 55.31 1xyx s SER 135 Cb -0.02 -0.04 -0.20 0.00 -1.71 0.00 0.00 66.02 64.05 1xyx s SER 135 CO 0.18 -0.41 1.69 0.54 1.20 0.00 0.00 173.24 176.44 1xyx n ARG 136 N -0.40 0.05 -1.08 5.44 3.00 -1.26 -4.94 116.66 117.47 1xyx n ARG 136 Ca -0.06 0.02 -0.28 0.00 -0.01 0.00 0.00 57.85 57.51 1xyx n ARG 136 Cb 0.63 -1.53 0.19 0.00 0.00 0.00 0.00 32.46 31.75 1xyx n ARG 136 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1xyx s PRO 137 N 3.51 0.13 0.11 5.56 0.04 -1.26 -5.01 135.00 138.08 1xyx s PRO 137 Ca 1.07 0.52 -0.31 0.00 0.04 0.00 0.00 61.00 62.32 1xyx s PRO 137 Cb -1.48 -1.70 -0.07 0.00 0.04 0.00 0.00 34.50 31.29 1xyx s PRO 137 CO 0.79 -2.94 1.30 0.00 0.04 0.00 0.00 177.00 176.19 1xyx s MET 138 N -4.90 4.38 0.09 4.56 0.23 -1.26 -5.05 119.30 117.34 1xyx s MET 138 Ca 0.66 1.95 0.08 0.00 -1.03 0.00 0.00 55.69 57.35 1xyx s MET 138 Cb -0.19 -3.28 -0.03 0.00 -1.53 0.00 0.00 34.83 29.79 1xyx s MET 138 CO 0.59 -0.34 -0.20 0.42 -2.03 0.00 0.00 175.02 173.46 1xyx s ILE 139 N 0.95 1.65 -0.32 3.16 -1.09 -1.26 -4.95 121.20 119.33 1xyx s ILE 139 Ca 0.61 -1.45 -0.02 0.00 -2.23 0.00 0.00 60.65 57.56 1xyx s ILE 139 Cb -0.34 -1.49 0.11 0.00 -1.58 0.00 0.00 42.46 39.16 1xyx s ILE 139 CO 0.31 -0.02 0.14 -1.38 -1.23 0.00 0.00 174.94 172.76 1xyx s HIS 140 N -1.10 1.03 -1.15 3.97 -3.43 -1.26 -4.97 115.29 108.37 1xyx s HIS 140 Ca 0.06 -1.45 0.28 0.00 -0.80 0.00 0.00 55.06 53.15 1xyx s HIS 140 Cb -0.10 -1.28 1.28 0.00 -1.43 0.00 0.00 32.58 31.06 1xyx s HIS 140 CO 0.04 -0.84 1.93 1.19 -2.00 0.00 0.00 174.74 175.05 1xyx n PHE 141 N 4.75 0.00 -2.69 0.38 3.72 -1.26 -4.91 117.46 117.45 1xyx n PHE 141 Ca -0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 1xyx n PHE 141 Cb 0.40 -0.42 0.01 0.00 -0.94 0.00 0.00 39.48 38.53 1xyx n PHE 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xyx n GLY 142 N 1.30 -0.41 3.14 1.37 0.00 -1.26 -5.00 105.19 104.34 1xyx n GLY 142 Ca 0.09 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.48 0.41 -0.10 1.61 0.01 -1.26 -5.09 114.94 108.03 1xyx s ASN 143 Ca 0.15 -1.16 -0.05 0.00 -0.71 0.00 0.00 52.86 51.09 1xyx s ASN 143 Cb -0.07 0.26 -0.02 0.00 0.41 0.00 0.00 41.25 41.84 1xyx s ASN 143 CO 0.19 -0.69 -0.10 0.44 -1.51 0.00 0.00 177.10 175.43 1xyx h ASP 144 N 2.91 0.00 0.33 -1.22 3.32 -2.00 -3.34 116.42 116.42 1xyx h ASP 144 Ca -0.35 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.61 1xyx h ASP 144 Cb 1.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1xyx h ASP 144 CO 0.61 0.53 -0.40 4.11 -1.72 0.00 0.00 179.24 182.37 1xyx h TRP 145 N -0.77 0.11 -0.69 4.55 5.08 -1.99 -2.07 115.95 120.16 1xyx h TRP 145 Ca 0.00 -0.03 -0.04 0.00 1.08 0.00 0.00 58.89 59.90 1xyx h TRP 145 Cb 0.29 -0.02 -0.03 0.00 -3.00 0.00 0.00 29.16 26.39 1xyx h TRP 145 CO -0.12 0.48 0.25 0.93 -1.28 0.00 0.00 178.44 178.70 1xyx h GLU 146 N 0.08 1.03 0.02 0.12 5.08 -1.99 0.23 114.58 119.16 1xyx h GLU 146 Ca 0.01 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1xyx h GLU 146 Cb 0.74 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1xyx h GLU 146 CO 0.06 0.86 -0.01 0.22 -1.00 0.00 0.00 179.01 179.13 1xyx h ASP 147 N 1.01 -0.03 -0.38 1.42 3.58 -1.51 -1.18 116.42 119.33 1xyx h ASP 147 Ca 0.23 -0.09 0.05 0.00 0.42 0.00 0.00 57.03 57.64 1xyx h ASP 147 Cb 0.23 0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.24 1xyx h ASP 147 CO -0.02 0.07 0.11 0.03 -2.88 0.00 0.00 179.24 176.56 1xyx h ARG 148 N -0.12 0.25 0.04 0.28 3.08 -1.26 -1.23 114.38 115.42 1xyx h ARG 148 Ca -0.00 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.06 1xyx h ARG 148 Cb 0.11 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 1xyx h ARG 148 CO 0.01 0.16 -0.43 -0.92 -1.07 0.00 0.00 179.97 177.72 1xyx h TYR 149 N 0.25 -1.22 -0.14 3.04 5.03 -0.22 0.07 116.97 123.78 1xyx h TYR 149 Ca 0.18 0.04 0.05 0.00 2.58 0.00 0.00 58.73 61.57 1xyx h TYR 149 Cb 0.18 0.53 -0.06 0.00 1.55 0.00 0.00 36.73 38.93 1xyx h TYR 149 CO -0.17 -0.51 -0.25 -0.92 -1.32 0.00 0.00 178.16 174.99 1xyx h TYR 150 N -0.61 -0.67 -0.55 -3.82 3.20 -1.10 -1.84 116.97 111.59 1xyx h TYR 150 Ca 0.04 0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.05 1xyx h TYR 150 Cb 0.67 0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 1xyx h TYR 150 CO -0.41 -0.33 0.37 0.00 -1.64 0.00 0.00 178.16 176.15 1xyx h ARG 151 N -0.31 0.27 0.00 1.82 3.08 -0.32 -1.46 114.38 117.46 1xyx h ARG 151 Ca 0.10 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.98 1xyx h ARG 151 Cb 0.47 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 1xyx h ARG 151 CO -0.32 0.18 -1.61 0.39 -1.07 0.00 0.00 179.97 177.54 1xyx n GLU 152 N -4.45 0.64 0.00 0.04 1.02 -0.07 -4.17 120.64 113.63 1xyx n GLU 152 Ca 0.09 0.12 0.11 0.00 -0.02 0.00 0.00 57.16 57.46 1xyx n GLU 152 Cb 0.42 -1.72 -0.03 0.00 -0.02 0.00 0.00 31.44 30.09 1xyx n GLU 152 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xyx n ASN 153 N -2.76 1.33 0.08 1.62 3.02 -0.73 -4.62 115.26 113.20 1xyx n ASN 153 Ca -0.12 -1.12 0.21 0.00 -0.03 0.00 0.00 54.58 53.52 1xyx n ASN 153 Cb 0.82 0.72 0.74 0.00 -0.61 0.00 0.00 39.78 41.45 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 0.92 0.00 -0.32 3.52 -0.00 -1.45 0.15 114.93 117.74 1xyx h MET 154 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 59.70 59.78 1xyx h MET 154 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.18 1xyx h MET 154 CO 0.00 0.00 0.23 0.10 -0.00 0.00 0.00 176.91 177.24 1xyx h TYR 155 N 0.00 0.05 0.00 -0.10 -0.00 -1.89 -2.29 116.97 112.74 1xyx h TYR 155 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.94 1xyx h TYR 155 Cb 1.12 -0.02 0.00 0.00 -0.00 0.00 0.00 36.73 37.83 1xyx h TYR 155 CO 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 178.16 178.19 1xyx h ARG 156 N 0.05 0.00 -6.07 0.10 3.08 -1.33 -3.46 114.38 106.75 1xyx h ARG 156 Ca 0.15 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.64 1xyx h ARG 156 Cb 0.54 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 1xyx h ARG 156 CO -0.01 0.00 -0.50 0.71 -1.07 0.00 0.00 179.97 179.10 1xyx s TYR 157 N -3.35 3.40 0.71 3.04 2.02 -0.86 -5.07 117.35 117.23 1xyx s TYR 157 Ca 0.05 0.10 -0.14 0.00 -0.37 0.00 0.00 57.07 56.72 1xyx s TYR 157 Cb 0.07 -1.64 0.03 0.00 -0.40 0.00 0.00 41.96 40.02 1xyx s TYR 157 CO 0.60 0.53 1.13 -1.25 -1.57 0.00 0.00 175.55 174.99 1xyx s PRO 158 N -3.05 2.46 0.08 -1.71 0.04 -1.26 -4.96 135.00 126.60 1xyx s PRO 158 Ca 0.33 1.47 0.22 0.00 0.04 0.00 0.00 61.00 63.06 1xyx s PRO 158 Cb -0.11 -1.90 -0.17 0.00 0.04 0.00 0.00 34.50 32.36 1xyx s PRO 158 CO 0.27 -1.53 0.75 0.27 0.04 0.00 0.00 177.00 176.80 1xyx n ASN 159 N -2.73 0.43 -4.49 6.66 6.94 -1.26 -4.97 115.26 115.85 1xyx n ASN 159 Ca 0.11 0.17 -0.31 0.00 -0.02 0.00 0.00 54.58 54.53 1xyx n ASN 159 Cb 0.52 1.18 -0.06 0.00 -2.36 0.00 0.00 39.78 39.05 1xyx n ASN 159 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xyx n GLN 160 N -2.49 0.80 -4.00 -3.83 6.02 -1.26 -0.67 117.38 111.95 1xyx n GLN 160 Ca -0.03 -3.52 -0.08 0.00 -0.01 0.00 0.00 57.00 53.36 1xyx n GLN 160 Cb 0.58 1.02 -0.09 0.00 1.02 0.00 0.00 30.24 32.78 1xyx n GLN 160 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1xyx s VAL 161 N -2.78 0.19 0.09 5.09 -7.23 -1.26 -4.98 120.40 109.52 1xyx s VAL 161 Ca 0.02 -1.52 0.04 0.00 -1.81 0.00 0.00 61.98 58.71 1xyx s VAL 161 Cb 0.00 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.53 1xyx s VAL 161 CO 0.01 -0.84 0.04 -0.31 -0.31 0.00 0.00 175.10 173.69 1xyx s TYR 162 N -3.72 3.07 0.00 2.82 2.02 -1.26 -0.79 117.35 119.50 1xyx s TYR 162 Ca 0.05 0.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.76 1xyx s TYR 162 Cb 0.06 -1.56 0.00 0.00 -0.40 0.00 0.00 41.96 40.05 1xyx s TYR 162 CO -0.10 0.50 0.00 2.48 -1.57 0.00 0.00 175.55 176.86 1xyx n TYR 163 N 0.45 -0.91 -4.42 2.71 4.11 0.19 -4.56 117.16 114.73 1xyx n TYR 163 Ca -0.10 0.00 -0.24 0.00 -0.00 0.00 0.00 57.90 57.57 1xyx n TYR 163 Cb 0.52 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.73 1xyx n TYR 163 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.86 175.88 1xyx s ARG 164 N -1.79 1.18 0.88 -3.48 1.70 -1.26 -1.42 118.95 114.75 1xyx s ARG 164 Ca 0.00 -1.02 -0.12 0.00 -0.47 0.00 0.00 55.73 54.12 1xyx s ARG 164 Cb 0.00 -1.35 0.12 0.00 -0.57 0.00 0.00 34.95 33.15 1xyx s ARG 164 CO 0.00 0.33 1.12 -1.25 -1.08 0.00 0.00 175.30 174.42 1xyx s PRO 165 N -1.55 1.40 0.37 3.89 0.04 -1.26 -4.79 135.00 133.10 1xyx s PRO 165 Ca 0.06 0.45 0.22 0.00 0.04 0.00 0.00 61.00 61.76 1xyx s PRO 165 Cb -0.09 -1.86 1.18 0.00 0.04 0.00 0.00 34.50 33.78 1xyx s PRO 165 CO 0.03 -2.05 1.64 0.28 0.04 0.00 0.00 177.00 176.93 1xyx h VAL 166 N -1.40 0.00 -1.21 -0.36 2.07 -1.98 -3.03 116.25 110.34 1xyx h VAL 166 Ca -0.50 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.39 1xyx h VAL 166 Cb 1.31 0.48 -0.11 0.00 -1.52 0.00 0.00 31.29 31.45 1xyx h VAL 166 CO 0.60 0.00 0.78 -0.78 0.02 0.00 0.00 177.57 178.20 1xyx h ASP 167 N 0.00 0.31 0.00 0.57 1.82 -2.03 -3.40 116.42 113.69 1xyx h ASP 167 Ca 0.00 0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 1xyx h ASP 167 Cb 0.21 0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.30 1xyx h ASP 167 CO 0.00 -0.08 0.00 1.67 -1.61 0.00 0.00 179.24 179.22 1xyx n GLN 168 N -4.65 0.00 0.00 0.28 0.00 -1.15 -5.04 117.38 106.81 1xyx n GLN 168 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.32 1xyx n GLN 168 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 30.24 31.46 1xyx n GLN 168 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 1xyx n TYR 169 N -2.89 0.00 -4.36 3.69 4.11 -1.19 -4.83 117.16 111.69 1xyx n TYR 169 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1xyx n TYR 169 Cb 0.00 -0.43 0.00 0.00 -0.00 0.00 0.00 39.34 38.91 1xyx n TYR 169 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1xyx n SER 170 N 0.00 -0.55 -4.75 9.48 2.88 -1.26 -4.44 113.62 114.98 1xyx n SER 170 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1xyx n SER 170 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1xyx n SER 170 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1xyx n ASN 171 N -0.76 3.87 -0.32 -3.46 3.02 -1.26 -4.89 115.26 111.46 1xyx n ASN 171 Ca 0.00 1.16 0.17 0.00 -0.03 0.00 0.00 54.58 55.88 1xyx n ASN 171 Cb 0.00 -1.60 0.42 0.00 -0.61 0.00 0.00 39.78 37.99 1xyx n ASN 171 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 1xyx h GLN 172 N 4.58 0.56 0.20 3.52 3.07 -1.97 -0.02 115.11 125.05 1xyx h GLN 172 Ca -0.47 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.22 1xyx h GLN 172 Cb 1.23 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 28.66 1xyx h GLN 172 CO 0.78 0.37 -0.09 -0.97 0.09 0.00 0.00 178.83 179.00 1xyx h ASN 173 N 0.58 -0.22 -0.58 0.06 -1.24 -1.96 0.18 115.58 112.39 1xyx h ASN 173 Ca 0.56 -0.28 -0.01 0.00 0.71 0.00 0.00 56.30 57.28 1xyx h ASN 173 Cb 1.14 0.06 -0.03 0.00 0.73 0.00 0.00 38.32 40.22 1xyx h ASN 173 CO -0.32 0.21 0.31 0.78 -1.29 0.00 0.00 177.43 177.12 1xyx h ASN 174 N -0.71 0.74 -0.02 1.15 4.21 -1.88 -1.72 115.58 117.36 1xyx h ASN 174 Ca -0.03 -0.06 -0.00 0.00 1.21 0.00 0.00 56.30 57.42 1xyx h ASN 174 Cb 0.49 -0.19 -0.00 0.00 -1.12 0.00 0.00 38.32 37.50 1xyx h ASN 174 CO 0.04 0.61 0.00 0.15 -1.29 0.00 0.00 177.43 176.95 1xyx h PHE 175 N 0.84 0.03 -0.69 1.19 3.57 -0.91 0.24 116.94 121.21 1xyx h PHE 175 Ca 0.21 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.86 1xyx h PHE 175 Cb 0.05 -0.01 -0.12 0.00 2.79 0.00 0.00 35.95 38.66 1xyx h PHE 175 CO 0.01 0.26 0.02 0.28 -2.23 0.00 0.00 178.31 176.64 1xyx h VAL 176 N -0.20 0.43 0.05 1.41 2.07 -0.30 0.16 116.25 119.87 1xyx h VAL 176 Ca 0.01 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1xyx h VAL 176 Cb 0.24 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1xyx h VAL 176 CO 0.00 0.02 -0.03 -0.74 0.02 0.00 0.00 177.57 176.85 1xyx h HIS 177 N 0.13 -0.07 0.05 1.57 -0.00 -1.08 -1.89 115.15 113.87 1xyx h HIS 177 Ca 0.37 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.75 1xyx h HIS 177 Cb 0.63 0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 28.04 1xyx h HIS 177 CO -0.38 0.07 -0.13 -0.44 -0.00 0.00 0.00 177.93 177.05 1xyx h ASP 178 N -0.20 -0.37 -0.61 3.26 3.32 0.36 0.39 116.42 122.57 1xyx h ASP 178 Ca -0.01 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.00 1xyx h ASP 178 Cb 0.17 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1xyx h ASP 178 CO 0.01 -0.19 0.01 0.00 -1.72 0.00 0.00 179.24 177.35 1xyx h VAL 180 N 0.97 0.75 0.08 0.00 2.07 -1.21 -1.25 116.25 117.67 1xyx h VAL 180 Ca 0.17 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.70 1xyx h VAL 180 Cb 0.55 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1xyx h VAL 180 CO 0.03 0.00 -0.10 -1.13 0.02 0.00 0.00 177.57 176.39 1xyx h ASN 181 N -0.24 -0.26 -0.30 0.57 -0.00 -0.50 0.18 115.58 115.03 1xyx h ASN 181 Ca 0.01 0.03 -0.04 0.00 -0.00 0.00 0.00 56.30 56.29 1xyx h ASN 181 Cb 0.24 0.09 -0.01 0.00 -0.00 0.00 0.00 38.32 38.64 1xyx h ASN 181 CO -0.03 -0.15 0.03 0.40 -0.00 0.00 0.00 177.43 177.67 1xyx h ILE 182 N -0.21 1.25 -0.04 2.57 1.08 -0.90 0.37 117.51 121.63 1xyx h ILE 182 Ca 0.01 -0.87 -0.00 0.00 -0.39 0.00 0.00 64.86 63.61 1xyx h ILE 182 Cb 0.21 1.23 -0.00 0.00 -3.07 0.00 0.00 36.82 35.18 1xyx h ILE 182 CO -0.04 0.28 0.02 0.74 -0.69 0.00 0.00 178.15 178.47 1xyx h THR 183 N 0.32 1.05 -0.02 -0.27 2.02 -0.95 -0.13 112.91 114.93 1xyx h THR 183 Ca 0.09 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.16 1xyx h THR 183 Cb 0.39 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1xyx h THR 183 CO 0.01 0.04 -0.06 0.40 0.37 0.00 0.00 175.52 176.28 1xyx h ILE 184 N 0.01 0.84 -0.22 3.11 2.04 -0.87 -1.71 117.51 120.72 1xyx h ILE 184 Ca 0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.91 1xyx h ILE 184 Cb 0.04 0.84 -0.07 0.00 -0.74 0.00 0.00 36.82 36.89 1xyx h ILE 184 CO -0.00 0.00 -0.53 0.50 0.00 0.00 0.00 178.15 178.12 1xyx h LYS 185 N -0.10 -0.49 -0.12 2.37 3.64 -0.12 -0.40 116.57 121.34 1xyx h LYS 185 Ca 0.03 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1xyx h LYS 185 Cb 0.13 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 1xyx h LYS 185 CO -0.07 -0.33 -0.13 1.96 -2.27 0.00 0.00 179.45 178.60 1xyx h GLN 186 N -0.51 -0.16 0.00 1.90 7.50 -0.64 0.34 115.11 123.53 1xyx h GLN 186 Ca 0.06 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.22 1xyx h GLN 186 Cb 0.65 0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.22 1xyx h GLN 186 CO -0.48 -0.11 0.00 0.72 -1.50 0.00 0.00 178.83 177.46 1xyx n HIS 187 N -5.28 0.72 0.15 2.96 8.25 -0.68 0.47 115.22 121.82 1xyx n HIS 187 Ca -0.03 0.30 0.11 0.00 -0.26 0.00 0.00 57.72 57.84 1xyx n HIS 187 Cb 0.20 -0.99 0.21 0.00 1.12 0.00 0.00 29.99 30.54 1xyx n HIS 187 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1xyx n THR 188 N -2.17 0.60 0.01 1.59 -1.04 0.17 -4.17 114.28 109.27 1xyx n THR 188 Ca 0.01 -0.80 0.00 0.00 -2.04 0.00 0.00 64.05 61.22 1xyx n THR 188 Cb 0.18 0.88 0.00 0.00 -1.82 0.00 0.00 70.33 69.57 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 1.36 0.01 0.17 12.58 0.31 0.96 -4.45 118.33 129.28 1xyx n VAL 189 Ca 0.18 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.62 1xyx n VAL 189 Cb 0.57 -0.17 0.56 0.00 -0.91 0.00 0.00 33.84 33.89 1xyx n VAL 189 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xyx h THR 190 N 0.00 0.00 0.00 2.52 1.03 -0.18 0.23 112.91 116.51 1xyx h THR 190 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 66.41 66.11 1xyx h THR 190 Cb 0.00 0.46 -0.05 0.00 -1.07 0.00 0.00 68.15 67.48 1xyx h THR 190 CO 0.00 0.00 -2.08 0.41 -0.01 0.00 0.00 175.52 173.84 1xyx n THR 191 N -2.25 1.09 0.13 0.00 -1.04 -1.20 -4.64 114.28 106.37 1xyx n THR 191 Ca -0.01 -0.55 -0.01 0.00 -2.04 0.00 0.00 64.05 61.43 1xyx n THR 191 Cb 0.11 -0.86 0.21 0.00 -1.82 0.00 0.00 70.33 67.97 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 1.37 0.00 12.58 2.02 -0.63 -1.64 112.91 126.61 1xyx h THR 192 Ca -0.43 -1.80 0.00 0.00 0.77 0.00 0.00 66.41 64.96 1xyx h THR 192 Cb 1.83 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 70.17 1xyx h THR 192 CO -0.02 0.52 0.00 1.07 0.37 0.00 0.00 175.52 177.46 1xyx n THR 193 N -3.92 0.41 0.00 3.16 5.66 0.62 -2.02 114.28 118.19 1xyx n THR 193 Ca -0.02 0.10 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 1xyx n THR 193 Cb 0.54 -1.10 0.00 0.00 -1.55 0.00 0.00 70.33 68.22 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 -1.10 0.03 0.00 1.09 4.01 -0.99 -5.04 118.16 116.16 1xyx n LYS 194 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1xyx n LYS 194 Cb 0.00 -0.90 0.00 0.00 -0.51 0.00 0.00 35.03 33.62 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 3.08 0.00 3.38 0.72 0.00 -0.86 -5.14 105.19 106.38 1xyx n GLY 195 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 3.19 0.11 1.61 2.12 -0.65 -4.94 118.70 120.14 1xyx s GLU 196 Ca 0.00 -0.80 0.02 0.00 0.36 0.00 0.00 54.97 54.55 1xyx s GLU 196 Cb 0.00 -3.45 -0.01 0.00 0.26 0.00 0.00 34.13 30.94 1xyx s GLU 196 CO 0.00 -0.43 0.09 -1.71 -0.54 0.00 0.00 175.26 172.67 1xyx n ASN 197 N 4.91 -0.04 -4.15 -1.70 2.85 -1.26 -2.35 115.26 113.52 1xyx n ASN 197 Ca -0.14 -1.72 -0.10 0.00 -0.11 0.00 0.00 54.58 52.51 1xyx n ASN 197 Cb 0.48 0.52 -0.10 0.00 1.24 0.00 0.00 39.78 41.93 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 -2.39 0.83 0.50 1.20 0.40 -1.26 -5.12 117.98 112.14 1xyx s PHE 198 Ca 0.12 -1.18 -0.03 0.00 -0.60 0.00 0.00 56.93 55.24 1xyx s PHE 198 Cb 0.01 -0.48 -0.01 0.00 0.51 0.00 0.00 43.02 43.04 1xyx s PHE 198 CO 0.09 -0.46 0.77 0.95 0.70 0.00 0.00 175.22 177.26 1xyx s THR 199 N -3.98 4.16 0.33 0.64 -4.23 -1.26 -4.78 115.64 106.52 1xyx s THR 199 Ca 0.21 -0.17 0.09 0.00 -1.18 0.00 0.00 61.69 60.64 1xyx s THR 199 Cb 0.07 -3.58 0.32 0.00 1.34 0.00 0.00 72.50 70.65 1xyx s THR 199 CO -0.00 -0.51 1.79 -0.08 -0.54 0.00 0.00 174.62 175.28 1xyx h GLU 200 N 0.19 0.65 0.18 3.99 4.81 -2.02 0.26 114.58 122.64 1xyx h GLU 200 Ca -0.46 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1xyx h GLU 200 Cb 1.24 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1xyx h GLU 200 CO 0.60 0.43 -0.31 1.15 -0.73 0.00 0.00 179.01 180.14 1xyx h THR 201 N 0.67 0.00 -0.41 0.32 2.02 -1.99 0.39 112.91 113.92 1xyx h THR 201 Ca 0.57 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.83 1xyx h THR 201 Cb 1.01 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.34 1xyx h THR 201 CO -0.34 0.00 -0.07 0.44 0.37 0.00 0.00 175.52 175.92 1xyx h ASP 202 N -0.52 -0.31 -0.96 4.18 5.19 -1.23 -0.59 116.42 122.17 1xyx h ASP 202 Ca -0.02 0.11 0.11 0.00 -0.62 0.00 0.00 57.03 56.62 1xyx h ASP 202 Cb 0.49 0.23 -0.08 0.00 0.18 0.00 0.00 39.33 40.14 1xyx h ASP 202 CO -0.11 -0.11 0.59 0.58 -3.12 0.00 0.00 179.24 177.07 1xyx h VAL 203 N 0.03 0.92 -0.03 -1.35 2.07 -0.39 0.29 116.25 117.80 1xyx h VAL 203 Ca 0.20 -0.32 -0.17 0.00 0.82 0.00 0.00 66.70 67.22 1xyx h VAL 203 Cb 0.30 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 1xyx h VAL 203 CO -0.39 0.17 -0.75 0.07 0.02 0.00 0.00 177.57 176.69 1xyx h LYS 204 N 0.95 0.19 -0.00 1.57 2.10 -0.11 -3.12 116.57 118.14 1xyx h LYS 204 Ca 0.47 -0.17 -0.19 0.00 -2.00 0.00 0.00 60.65 58.77 1xyx h LYS 204 Cb 0.46 0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.81 1xyx h LYS 204 CO -0.26 0.85 -0.85 0.52 -2.00 0.00 0.00 179.45 177.71 1xyx h MET 205 N 0.12 0.17 -0.73 0.07 2.86 0.58 -2.27 114.93 115.73 1xyx h MET 205 Ca -0.02 -0.18 0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1xyx h MET 205 Cb 1.32 0.05 -0.08 0.00 0.06 0.00 0.00 31.60 32.95 1xyx h MET 205 CO 0.11 0.92 0.36 0.52 1.06 0.00 0.00 176.91 179.88 1xyx h MET 206 N 0.10 0.57 0.00 1.72 2.86 -0.58 -1.23 114.93 118.37 1xyx h MET 206 Ca -0.04 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1xyx h MET 206 Cb 1.47 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.00 1xyx h MET 206 CO 0.13 0.38 0.00 0.39 1.06 0.00 0.00 176.91 178.87 1xyx n GLU 207 N -4.88 0.13 -0.07 1.72 1.02 -0.86 -0.36 120.64 117.34 1xyx n GLU 207 Ca 0.12 0.55 -0.11 0.00 -0.02 0.00 0.00 57.16 57.70 1xyx n GLU 207 Cb 0.30 -1.86 -0.08 0.00 -0.02 0.00 0.00 31.44 29.79 1xyx n GLU 207 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1xyx h ARG 208 N 0.00 0.00 -0.45 3.49 9.65 -1.22 -3.34 114.38 122.50 1xyx h ARG 208 Ca 0.00 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.75 1xyx h ARG 208 Cb 0.11 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 1xyx h ARG 208 CO 0.00 0.60 -0.24 -0.24 2.80 0.00 0.00 179.97 182.90 1xyx h VAL 209 N -1.00 1.27 -0.39 0.20 3.04 -0.92 -2.04 116.25 116.40 1xyx h VAL 209 Ca -0.07 -1.40 -0.15 0.00 -1.01 0.00 0.00 66.70 64.07 1xyx h VAL 209 Cb 0.73 1.17 -0.01 0.00 -2.01 0.00 0.00 31.29 31.17 1xyx h VAL 209 CO -0.04 0.48 -0.35 0.58 -1.01 0.00 0.00 177.57 177.22 1xyx h VAL 210 N 0.81 1.27 0.27 1.51 2.07 -0.93 0.02 116.25 121.28 1xyx h VAL 210 Ca 0.10 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 1xyx h VAL 210 Cb 0.81 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1xyx h VAL 210 CO 0.07 0.51 -0.32 -0.08 0.02 0.00 0.00 177.57 177.77 1xyx h GLU 211 N 0.76 -0.58 0.00 1.57 4.81 -1.67 -0.32 114.58 119.15 1xyx h GLU 211 Ca 0.07 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1xyx h GLU 211 Cb 0.94 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1xyx h GLU 211 CO 0.09 -0.39 -0.21 1.96 -0.73 0.00 0.00 179.01 179.73 1xyx h GLN 212 N -0.61 0.00 0.46 1.92 1.08 -1.13 0.37 115.11 117.21 1xyx h GLN 212 Ca -0.03 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 1xyx h GLN 212 Cb 0.54 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1xyx h GLN 212 CO -0.07 0.21 -0.22 0.52 -0.95 0.00 0.00 178.83 178.32 1xyx h MET 213 N 0.00 -0.60 0.00 1.46 2.86 -0.97 -3.21 114.93 114.47 1xyx h MET 213 Ca -0.00 0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.61 1xyx h MET 213 Cb 0.54 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1xyx h MET 213 CO 0.03 -0.40 -0.31 0.00 1.06 0.00 0.00 176.91 177.29 1xyx h VAL 215 N 0.00 0.62 -0.33 0.00 2.07 -0.53 0.71 116.25 118.79 1xyx h VAL 215 Ca -0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1xyx h VAL 215 Cb 0.77 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1xyx h VAL 215 CO 0.04 0.00 0.19 0.74 0.02 0.00 0.00 177.57 178.57 1xyx h THR 216 N -0.46 1.12 -0.16 2.57 2.02 -1.42 -2.25 112.91 114.32 1xyx h THR 216 Ca -0.03 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 1xyx h THR 216 Cb 0.38 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1xyx h THR 216 CO 0.03 0.12 -0.10 -0.61 0.37 0.00 0.00 175.52 175.33 1xyx h GLN 217 N 0.42 0.25 0.24 6.66 5.75 -0.34 0.90 115.11 129.00 1xyx h GLN 217 Ca 0.12 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1xyx h GLN 217 Cb 0.02 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.53 1xyx h GLN 217 CO -0.02 0.36 -0.11 -0.92 -2.65 0.00 0.00 178.83 175.49 1xyx h TYR 218 N 0.24 -0.30 -0.03 3.99 3.20 -0.80 -3.16 116.97 120.12 1xyx h TYR 218 Ca 0.05 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1xyx h TYR 218 Cb 0.33 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 1xyx h TYR 218 CO 0.01 -0.04 0.03 1.96 -1.64 0.00 0.00 178.16 178.48 1xyx h GLN 219 N -0.53 0.00 0.00 1.82 4.20 -0.60 0.11 115.11 120.11 1xyx h GLN 219 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1xyx h GLN 219 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1xyx h GLN 219 CO 0.05 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.84 1xyx n LYS 220 N -3.95 0.18 -0.07 1.46 5.02 0.19 -1.73 118.16 119.26 1xyx n LYS 220 Ca -0.02 0.45 -0.08 0.00 -2.02 0.00 0.00 58.31 56.63 1xyx n LYS 220 Cb 0.12 -1.87 -0.08 0.00 -0.02 0.00 0.00 35.03 33.19 1xyx n LYS 220 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xyx n GLU 221 N -2.21 1.07 -0.10 1.97 -0.58 0.24 -4.23 120.64 116.80 1xyx n GLU 221 Ca 0.02 0.05 0.04 0.00 -0.42 0.00 0.00 57.16 56.84 1xyx n GLU 221 Cb 0.20 -1.29 0.36 0.00 -0.57 0.00 0.00 31.44 30.14 1xyx n GLU 221 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1xyx h SER 222 N 0.00 0.62 -0.01 1.62 4.64 -1.13 -0.02 113.55 119.25 1xyx h SER 222 Ca -0.32 -0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.02 1xyx h SER 222 Cb 1.58 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 63.49 1xyx h SER 222 CO -0.02 0.44 -0.16 -0.61 -0.87 0.00 0.00 176.83 175.60 1xyx h GLN 223 N 0.72 -0.25 -0.82 4.77 4.15 -1.57 0.22 115.11 122.33 1xyx h GLN 223 Ca 0.22 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.74 1xyx h GLN 223 Cb -0.01 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 27.67 1xyx h GLN 223 CO -0.05 -0.17 0.48 0.00 -1.93 0.00 0.00 178.83 177.16 1xyx h ALA 224 N 0.68 1.17 -0.40 3.38 0.00 -1.24 0.29 119.26 123.14 1xyx h ALA 224 Ca 0.06 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1xyx h ALA 224 Cb 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1xyx h ALA 224 CO -0.16 0.12 0.06 -0.92 0.00 0.00 0.00 179.25 178.34 1xyx h TYR 225 N 0.81 0.72 0.00 0.00 5.03 -0.81 -2.96 116.97 119.76 1xyx h TYR 225 Ca 0.39 -0.10 -0.06 0.00 2.58 0.00 0.00 58.73 61.54 1xyx h TYR 225 Cb 0.33 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.41 1xyx h TYR 225 CO -0.06 0.71 -0.28 1.88 -1.32 0.00 0.00 178.16 179.09 1xyx h TYR 226 N 0.52 0.00 0.00 -3.82 0.05 0.65 -1.20 116.97 113.17 1xyx h TYR 226 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 1xyx h TYR 226 Cb 0.38 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.12 1xyx h TYR 226 CO 0.03 0.28 0.00 -0.25 -1.05 0.00 0.00 178.16 177.17 1xyx n ASP 227 N -3.67 0.64 -0.53 3.88 8.00 0.91 -2.32 116.55 123.47 1xyx n ASP 227 Ca -0.01 0.71 0.00 0.00 0.71 0.00 0.00 54.79 56.20 1xyx n ASP 227 Cb 0.40 -0.83 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 1xyx n ASP 227 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xyx n GLY 228 N -0.52 0.49 0.16 0.44 0.00 -0.45 -2.14 105.19 103.17 1xyx n GLY 228 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 0.37 0.47 -1.24 1.61 1.85 -0.98 -4.91 116.66 113.82 1xyx n ARG 229 Ca 0.00 -0.95 -0.24 0.00 -1.00 0.00 0.00 57.85 55.66 1xyx n ARG 229 Cb 0.08 -0.64 0.01 0.00 -1.05 0.00 0.00 32.46 30.86 1xyx n ARG 229 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1xyx n ARG 230 N -0.18 2.20 -1.88 2.89 5.12 -0.91 -4.67 116.66 119.23 1xyx n ARG 230 Ca 0.01 -2.19 -0.41 0.00 -1.93 0.00 0.00 57.85 53.33 1xyx n ARG 230 Cb 0.54 -1.94 -0.01 0.00 -1.16 0.00 0.00 32.46 29.90 1xyx n ARG 230 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1xyx n SER 231 N 0.35 6.75 0.00 0.55 7.64 -1.26 -5.17 113.62 122.49 1xyx n SER 231 Ca 0.43 -2.95 0.00 0.00 1.01 0.00 0.00 58.87 57.36 1xyx n SER 231 Cb 0.56 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1xyx n SER 231 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83