#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 -3.87 -0.89 2.52 0.31 -1.26 -1.28 118.33 113.86 1xyx n VAL 122 Ca 0.00 -0.74 0.00 0.00 -0.01 0.00 0.00 64.34 63.59 1xyx n VAL 122 Cb 0.00 -3.04 0.00 0.00 -0.91 0.00 0.00 33.84 29.89 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 -1.95 0.11 1.17 2.92 0.00 -1.26 -1.92 105.19 104.26 1xyx n GLY 123 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.33 0.81 0.18 -0.02 0.00 -0.41 -5.01 105.19 100.41 1xyx n GLY 124 Ca 0.00 -0.37 0.06 0.00 0.00 0.00 0.00 46.02 45.71 1xyx n GLY 124 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xyx h LEU 125 N 0.00 0.00 0.00 0.99 -0.00 -1.12 -3.48 115.31 111.70 1xyx h LEU 125 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1xyx h LEU 125 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.51 1xyx h LEU 125 CO 0.00 0.34 0.00 0.61 -0.00 0.00 0.00 178.44 179.39 1xyx n GLY 126 N 0.73 2.35 0.00 0.83 0.00 -1.26 -4.62 105.19 103.21 1xyx n GLY 126 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.33 0.43 3.91 -0.02 0.00 -1.26 -5.15 105.19 101.77 1xyx n GLY 127 Ca 0.00 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.22 3.49 -0.18 1.61 1.51 -1.26 -5.02 117.35 117.27 1xyx s TYR 128 Ca 0.00 0.58 -0.19 0.00 -1.01 0.00 0.00 57.07 56.45 1xyx s TYR 128 Cb 0.00 -2.06 -0.03 0.00 -0.11 0.00 0.00 41.96 39.76 1xyx s TYR 128 CO 0.00 0.16 0.56 1.41 -1.11 0.00 0.00 175.55 176.56 1xyx s MET 129 N -3.72 4.23 -0.03 -0.62 1.75 0.16 -4.94 119.30 116.13 1xyx s MET 129 Ca 0.43 0.50 -0.05 0.00 -1.25 0.00 0.00 55.69 55.32 1xyx s MET 129 Cb -0.10 -3.55 -0.04 0.00 2.84 0.00 0.00 34.83 33.98 1xyx s MET 129 CO 0.32 -0.13 0.20 -1.17 -0.65 0.00 0.00 175.02 173.59 1xyx s LEU 130 N 1.56 4.38 0.50 4.11 2.96 -1.26 -0.57 118.68 130.36 1xyx s LEU 130 Ca 0.26 0.46 0.09 0.00 -0.22 0.00 0.00 54.13 54.72 1xyx s LEU 130 Cb -0.16 -2.49 0.05 0.00 0.50 0.00 0.00 46.19 44.09 1xyx s LEU 130 CO 0.10 0.30 0.67 -0.83 -1.32 0.00 0.00 176.35 175.27 1xyx s GLY 131 N -1.60 1.86 0.63 7.98 0.00 -0.39 -5.01 107.32 110.79 1xyx s GLY 131 Ca 0.24 -1.91 -0.10 0.00 0.00 0.00 0.00 44.72 42.95 1xyx s GLY 131 CO 0.14 -1.61 1.02 -0.45 0.00 0.00 0.00 173.10 172.19 1xyx s SER 132 N -4.50 6.02 0.56 1.64 0.15 -1.26 -4.60 113.70 111.72 1xyx s SER 132 Ca 0.57 1.28 -0.18 0.00 0.70 0.00 0.00 55.95 58.33 1xyx s SER 132 Cb -0.07 -2.29 -0.12 0.00 -1.71 0.00 0.00 66.02 61.82 1xyx s SER 132 CO 0.35 -0.96 0.12 0.00 1.20 0.00 0.00 173.24 173.95 1xyx n ALA 133 N -2.76 -2.38 -2.79 5.45 0.00 -1.26 -4.47 120.51 112.30 1xyx n ALA 133 Ca 0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 1xyx n ALA 133 Cb 0.55 -1.58 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 1xyx n ALA 133 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1xyx s MET 134 N -1.53 1.01 0.36 0.00 -1.94 0.90 -4.91 119.30 113.19 1xyx s MET 134 Ca 0.61 -0.89 0.08 0.00 -1.71 0.00 0.00 55.69 53.78 1xyx s MET 134 Cb -0.46 0.41 -0.04 0.00 2.01 0.00 0.00 34.83 36.75 1xyx s MET 134 CO 0.62 -0.37 0.23 0.45 -0.01 0.00 0.00 175.02 175.94 1xyx s SER 135 N -2.86 4.89 -0.94 3.03 0.15 -1.26 -4.83 113.70 111.89 1xyx s SER 135 Ca 0.06 -0.72 -0.21 0.00 0.70 0.00 0.00 55.95 55.79 1xyx s SER 135 Cb 0.03 -0.75 -0.25 0.00 -1.71 0.00 0.00 66.02 63.34 1xyx s SER 135 CO -0.09 -0.39 2.32 -2.11 1.20 0.00 0.00 173.24 174.16 1xyx n ARG 136 N -1.29 0.00 -0.85 5.44 1.85 -1.26 -4.93 116.66 115.63 1xyx n ARG 136 Ca -0.01 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.55 1xyx n ARG 136 Cb 0.61 -1.21 0.23 0.00 -1.05 0.00 0.00 32.46 31.04 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 7.66 -0.87 -0.46 2.89 0.04 -1.26 -4.94 135.00 138.07 1xyx s PRO 137 Ca 1.26 0.42 -0.29 0.00 0.04 0.00 0.00 61.00 62.43 1xyx s PRO 137 Cb -1.02 -1.59 0.02 0.00 0.04 0.00 0.00 34.50 31.94 1xyx s PRO 137 CO 0.49 -3.58 1.30 0.00 0.04 0.00 0.00 177.00 175.25 1xyx s MET 138 N -4.91 3.60 0.18 4.56 0.23 -1.26 -5.02 119.30 116.68 1xyx s MET 138 Ca 0.68 0.73 0.10 0.00 -1.03 0.00 0.00 55.69 56.17 1xyx s MET 138 Cb -0.18 -3.99 -0.04 0.00 -1.53 0.00 0.00 34.83 29.09 1xyx s MET 138 CO 0.60 -1.53 -0.17 0.42 -2.03 0.00 0.00 175.02 172.30 1xyx s ILE 139 N 5.10 2.79 -0.07 3.16 -1.09 -1.26 -5.00 121.20 124.84 1xyx s ILE 139 Ca 0.55 -1.79 -0.02 0.00 -2.23 0.00 0.00 60.65 57.16 1xyx s ILE 139 Cb -0.11 -2.35 0.04 0.00 -1.58 0.00 0.00 42.46 38.46 1xyx s ILE 139 CO 0.32 -0.08 0.05 -1.00 -1.23 0.00 0.00 174.94 173.00 1xyx s HIS 140 N -1.60 0.22 -1.86 3.97 3.76 -1.26 -5.04 115.29 113.49 1xyx s HIS 140 Ca 0.22 0.05 0.31 0.00 -0.15 0.00 0.00 55.06 55.49 1xyx s HIS 140 Cb -0.09 -0.59 1.69 0.00 1.11 0.00 0.00 32.58 34.70 1xyx s HIS 140 CO 0.12 -0.28 2.12 1.19 -0.85 0.00 0.00 174.74 177.04 1xyx n PHE 141 N 5.26 0.00 -0.99 1.40 3.01 -1.26 -4.86 117.46 120.01 1xyx n PHE 141 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.41 1xyx n PHE 141 Cb 0.50 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 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 1.11 0.40 3.06 1.37 0.00 -1.26 -5.03 105.19 104.84 1xyx n GLY 142 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.04 1.06 -0.11 1.61 0.01 -1.26 -5.05 114.94 109.16 1xyx s ASN 143 Ca 0.00 -0.39 -0.28 0.00 -0.71 0.00 0.00 52.86 51.48 1xyx s ASN 143 Cb 0.00 -0.04 -0.26 0.00 0.41 0.00 0.00 41.25 41.36 1xyx s ASN 143 CO 0.00 -0.05 0.85 0.44 -1.51 0.00 0.00 177.10 176.83 1xyx h ASP 144 N 5.06 0.05 0.35 -1.22 3.32 -2.00 -3.17 116.42 118.81 1xyx h ASP 144 Ca -0.34 -0.93 -0.09 0.00 0.02 0.00 0.00 57.03 55.69 1xyx h ASP 144 Cb 1.19 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 1xyx h ASP 144 CO 0.44 0.97 -0.40 4.11 -1.72 0.00 0.00 179.24 182.64 1xyx h TRP 145 N -0.87 0.09 -0.10 4.55 5.08 -2.00 -2.75 115.95 119.95 1xyx h TRP 145 Ca -0.01 -0.02 -0.18 0.00 1.08 0.00 0.00 58.89 59.75 1xyx h TRP 145 Cb 0.99 -0.02 -0.00 0.00 -3.00 0.00 0.00 29.16 27.13 1xyx h TRP 145 CO 0.25 0.47 -0.70 0.93 -1.28 0.00 0.00 178.44 178.11 1xyx h GLU 146 N 0.06 0.45 -0.26 0.12 5.08 -1.99 -0.06 114.58 117.98 1xyx h GLU 146 Ca 0.00 -0.35 0.05 0.00 -1.00 0.00 0.00 59.36 58.07 1xyx h GLU 146 Cb 0.74 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.01 1xyx h GLU 146 CO 0.06 0.98 -0.06 0.22 -1.00 0.00 0.00 179.01 179.21 1xyx h ASP 147 N 0.31 -0.23 -0.39 1.42 1.82 -1.46 -0.18 116.42 117.72 1xyx h ASP 147 Ca -0.03 0.08 -0.06 0.00 -0.39 0.00 0.00 57.03 56.63 1xyx h ASP 147 Cb 1.27 0.15 -0.02 0.00 0.68 0.00 0.00 39.33 41.41 1xyx h ASP 147 CO 0.12 -0.08 0.04 -0.09 -1.61 0.00 0.00 179.24 177.62 1xyx h ARG 148 N 0.01 0.75 0.02 0.28 2.43 -1.35 -1.50 114.38 115.02 1xyx h ARG 148 Ca 0.12 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1xyx h ARG 148 Cb 0.19 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1xyx h ARG 148 CO -0.26 0.74 -0.08 -0.92 -1.51 0.00 0.00 179.97 177.94 1xyx h TYR 149 N 0.71 -0.20 -0.45 2.20 5.03 -0.24 -2.56 116.97 121.45 1xyx h TYR 149 Ca 0.15 0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.53 1xyx h TYR 149 Cb 0.39 0.09 -0.06 0.00 1.55 0.00 0.00 36.73 38.69 1xyx h TYR 149 CO 0.02 -0.13 0.10 -0.92 -1.32 0.00 0.00 178.16 175.91 1xyx h TYR 150 N -0.15 0.16 0.00 -3.82 3.20 -0.87 -2.27 116.97 113.22 1xyx h TYR 150 Ca 0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1xyx h TYR 150 Cb 0.18 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1xyx h TYR 150 CO -0.14 0.01 0.06 0.00 -1.64 0.00 0.00 178.16 176.45 1xyx h ARG 151 N 0.23 0.00 0.00 1.82 3.08 -0.86 -0.75 114.38 117.90 1xyx h ARG 151 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1xyx h ARG 151 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1xyx h ARG 151 CO -0.29 0.00 -0.19 0.39 -1.07 0.00 0.00 179.97 178.81 1xyx n GLU 152 N -2.51 0.85 0.00 0.04 1.02 -0.90 -4.62 120.64 114.53 1xyx n GLU 152 Ca -0.02 -1.61 0.00 0.00 -0.02 0.00 0.00 57.16 55.51 1xyx n GLU 152 Cb 0.10 -0.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 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 -0.61 0.09 0.11 1.62 3.02 -0.82 -4.92 115.26 113.75 1xyx n ASN 153 Ca 0.06 -0.38 0.19 0.00 -0.03 0.00 0.00 54.58 54.42 1xyx n ASN 153 Cb 0.60 0.32 0.76 0.00 -0.61 0.00 0.00 39.78 40.85 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 -1.42 -1.14 114.93 115.89 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 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.66 1xyx h MET 154 CO 0.00 0.00 -0.08 0.10 -0.00 0.00 0.00 176.91 176.93 1xyx h TYR 155 N 0.00 0.00 0.00 -0.10 -0.00 -1.91 -2.58 116.97 112.38 1xyx h TYR 155 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.86 1xyx h TYR 155 Cb 0.86 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.59 1xyx h TYR 155 CO 0.00 0.08 -0.20 0.00 -0.00 0.00 0.00 178.16 178.05 1xyx h ARG 156 N 0.00 0.00 -7.09 0.10 3.08 -1.61 -3.45 114.38 105.40 1xyx h ARG 156 Ca -0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 1xyx h ARG 156 Cb 0.26 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.36 1xyx h ARG 156 CO 0.01 0.20 0.18 0.71 -1.07 0.00 0.00 179.97 180.00 1xyx s TYR 157 N -3.66 3.37 0.85 3.04 2.02 -0.97 -5.07 117.35 116.93 1xyx s TYR 157 Ca 0.01 0.75 -0.11 0.00 -0.37 0.00 0.00 57.07 57.34 1xyx s TYR 157 Cb 0.10 -2.63 0.10 0.00 -0.40 0.00 0.00 41.96 39.14 1xyx s TYR 157 CO 0.63 -0.67 1.09 -1.25 -1.57 0.00 0.00 175.55 173.77 1xyx s PRO 158 N -4.95 1.59 0.01 -1.71 0.04 -1.26 -4.96 135.00 123.77 1xyx s PRO 158 Ca 0.52 0.95 0.24 0.00 0.04 0.00 0.00 61.00 62.76 1xyx s PRO 158 Cb -0.10 -1.84 0.37 0.00 0.04 0.00 0.00 34.50 32.97 1xyx s PRO 158 CO 0.46 -2.04 1.32 0.09 0.04 0.00 0.00 177.00 176.86 1xyx n ASN 159 N -3.77 0.58 -4.28 6.66 3.02 -1.26 -4.97 115.26 111.25 1xyx n ASN 159 Ca 0.08 -0.30 -0.16 0.00 -0.03 0.00 0.00 54.58 54.17 1xyx n ASN 159 Cb 0.54 0.38 -0.10 0.00 -0.61 0.00 0.00 39.78 39.99 1xyx n ASN 159 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1xyx s GLN 160 N -3.03 1.39 0.15 3.52 -0.21 -1.26 -0.07 119.66 120.15 1xyx s GLN 160 Ca 0.10 -1.75 -0.03 0.00 0.02 0.00 0.00 55.36 53.70 1xyx s GLN 160 Cb 0.17 -0.17 -0.03 0.00 1.00 0.00 0.00 33.01 33.97 1xyx s GLN 160 CO 0.73 -0.32 0.12 0.14 -2.12 0.00 0.00 175.29 173.84 1xyx s VAL 161 N -3.81 0.07 0.18 1.09 -7.23 -1.26 -4.98 120.40 104.46 1xyx s VAL 161 Ca 0.38 -1.82 0.02 0.00 -1.81 0.00 0.00 61.98 58.75 1xyx s VAL 161 Cb 0.08 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 1xyx s VAL 161 CO 0.14 -0.34 0.32 -0.31 -0.31 0.00 0.00 175.10 174.60 1xyx s TYR 162 N -4.05 3.48 0.00 2.82 2.02 -1.26 -1.27 117.35 119.09 1xyx s TYR 162 Ca 0.25 0.15 0.00 0.00 -0.37 0.00 0.00 57.07 57.10 1xyx s TYR 162 Cb 0.06 -1.70 0.00 0.00 -0.40 0.00 0.00 41.96 39.93 1xyx s TYR 162 CO 0.03 0.47 0.00 2.48 -1.57 0.00 0.00 175.55 176.96 1xyx n TYR 163 N -0.71 -0.10 -4.06 2.71 4.11 0.27 -4.70 117.16 114.68 1xyx n TYR 163 Ca -0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.70 1xyx n TYR 163 Cb 0.54 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.77 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 0.51 0.52 0.91 -3.48 0.52 -1.26 -0.66 118.95 116.00 1xyx s ARG 164 Ca 0.00 -0.75 -0.10 0.00 -0.52 0.00 0.00 55.73 54.36 1xyx s ARG 164 Cb 0.00 -0.28 0.14 0.00 0.52 0.00 0.00 34.95 35.33 1xyx s ARG 164 CO 0.00 0.05 1.13 -1.25 0.02 0.00 0.00 175.30 175.25 1xyx s PRO 165 N -1.56 1.10 0.00 3.54 0.04 -1.26 -4.88 135.00 131.98 1xyx s PRO 165 Ca -0.10 1.44 0.16 0.00 0.04 0.00 0.00 61.00 62.54 1xyx s PRO 165 Cb -0.10 -1.75 0.93 0.00 0.04 0.00 0.00 34.50 33.63 1xyx s PRO 165 CO 0.00 -2.54 1.45 1.33 0.04 0.00 0.00 177.00 177.28 1xyx n VAL 166 N -4.16 0.00 -3.09 -0.36 0.24 -1.26 -4.77 118.33 104.93 1xyx n VAL 166 Ca 0.11 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.08 1xyx n VAL 166 Cb 0.52 -0.43 -0.06 0.00 -1.47 0.00 0.00 33.84 32.40 1xyx n VAL 166 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1xyx s ASP 167 N -1.71 6.80 1.77 -1.34 1.01 -1.26 -4.77 116.67 117.17 1xyx s ASP 167 Ca 0.23 1.34 0.00 0.00 0.71 0.00 0.00 52.55 54.83 1xyx s ASP 167 Cb 0.11 -2.40 0.00 0.00 1.01 0.00 0.00 42.92 41.64 1xyx s ASP 167 CO 0.18 -0.22 0.00 1.67 0.21 0.00 0.00 175.17 177.01 1xyx n GLN 168 N -0.39 0.00 -0.19 8.23 7.27 -1.26 -5.02 117.38 126.02 1xyx n GLN 168 Ca 0.04 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.13 1xyx n GLN 168 Cb 0.53 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.18 1xyx n GLN 168 CO 0.00 0.00 0.00 2.48 0.07 0.00 0.00 177.06 179.61 1xyx n TYR 169 N 13.55 -1.82 0.21 3.69 4.11 -1.26 -5.01 117.16 130.63 1xyx n TYR 169 Ca 0.00 0.23 0.00 0.00 -0.00 0.00 0.00 57.90 58.13 1xyx n TYR 169 Cb 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 39.34 39.00 1xyx n TYR 169 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 1xyx n SER 170 N -3.80 -3.18 -4.72 9.48 7.64 -1.26 -5.10 113.62 112.67 1xyx n SER 170 Ca 0.00 0.80 -0.35 0.00 1.01 0.00 0.00 58.87 60.33 1xyx n SER 170 Cb 0.09 3.02 -0.08 0.00 -1.01 0.00 0.00 64.21 66.22 1xyx n SER 170 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1xyx s ASN 171 N -2.81 6.23 0.20 6.43 0.01 -1.26 -4.99 114.94 118.75 1xyx s ASN 171 Ca 0.00 0.25 -0.10 0.00 -0.71 0.00 0.00 52.86 52.30 1xyx s ASN 171 Cb 0.00 -2.11 0.14 0.00 0.41 0.00 0.00 41.25 39.70 1xyx s ASN 171 CO 0.00 0.15 1.83 -0.61 -1.51 0.00 0.00 177.10 176.96 1xyx h GLN 172 N 6.79 1.02 -0.15 -0.60 4.15 -1.99 -3.13 115.11 121.18 1xyx h GLN 172 Ca -0.41 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 58.87 1xyx h GLN 172 Cb 1.15 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 28.64 1xyx h GLN 172 CO 0.75 0.75 -0.02 -0.97 -1.93 0.00 0.00 178.83 177.40 1xyx h ASN 173 N 1.01 0.28 0.30 -0.69 -1.24 -1.98 0.18 115.58 113.44 1xyx h ASN 173 Ca 0.26 -0.35 -0.05 0.00 0.71 0.00 0.00 56.30 56.87 1xyx h ASN 173 Cb 0.01 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 1xyx h ASN 173 CO -0.04 0.56 -0.24 -0.55 -1.29 0.00 0.00 177.43 175.87 1xyx h ASN 174 N -0.00 0.00 0.76 1.15 -1.07 -2.01 0.09 115.58 114.50 1xyx h ASN 174 Ca 0.04 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.38 1xyx h ASN 174 Cb 0.43 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.68 1xyx h ASN 174 CO 0.01 0.24 -0.48 0.15 0.07 0.00 0.00 177.43 177.42 1xyx h PHE 175 N 0.00 -1.27 -0.48 4.14 3.57 -1.38 -3.16 116.94 118.36 1xyx h PHE 175 Ca -0.00 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.58 1xyx h PHE 175 Cb 0.45 0.45 -0.10 0.00 2.79 0.00 0.00 35.95 39.54 1xyx h PHE 175 CO 0.00 -0.71 -0.32 0.28 -2.23 0.00 0.00 178.31 175.33 1xyx h VAL 176 N -1.16 0.21 -0.47 1.41 2.07 0.06 -1.56 116.25 116.81 1xyx h VAL 176 Ca -0.10 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.47 1xyx h VAL 176 Cb 0.94 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1xyx h VAL 176 CO 0.10 0.00 0.20 -0.74 0.02 0.00 0.00 177.57 177.15 1xyx h HIS 177 N -0.21 0.37 -0.18 1.57 -0.00 -1.08 1.00 115.15 116.63 1xyx h HIS 177 Ca 0.20 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.57 1xyx h HIS 177 Cb 0.54 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.84 1xyx h HIS 177 CO -0.57 0.16 0.04 0.22 -0.00 0.00 0.00 177.93 177.78 1xyx h ASP 178 N 0.41 0.27 -0.57 3.26 3.58 -1.34 0.61 116.42 122.64 1xyx h ASP 178 Ca 0.21 -0.24 -0.05 0.00 0.42 0.00 0.00 57.03 57.37 1xyx h ASP 178 Cb 0.17 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 1xyx h ASP 178 CO -0.18 0.44 0.15 0.00 -2.88 0.00 0.00 179.24 176.77 1xyx h VAL 180 N 0.81 0.35 -0.37 0.00 2.07 -0.76 0.13 116.25 118.48 1xyx h VAL 180 Ca 0.18 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.72 1xyx h VAL 180 Cb 0.33 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1xyx h VAL 180 CO -0.00 0.00 0.20 -1.13 0.02 0.00 0.00 177.57 176.66 1xyx h ASN 181 N -0.39 0.30 -0.65 0.57 -1.24 -0.42 0.70 115.58 114.44 1xyx h ASN 181 Ca 0.08 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.07 1xyx h ASN 181 Cb 0.51 -0.05 -0.03 0.00 0.73 0.00 0.00 38.32 39.49 1xyx h ASN 181 CO -0.29 0.22 0.29 0.40 -1.29 0.00 0.00 177.43 176.76 1xyx h ILE 182 N 0.40 1.23 -0.20 2.57 1.08 -0.65 0.30 117.51 122.24 1xyx h ILE 182 Ca 0.15 -0.68 -0.17 0.00 -0.39 0.00 0.00 64.86 63.77 1xyx h ILE 182 Cb 0.05 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 34.26 1xyx h ILE 182 CO -0.10 0.28 -0.53 0.74 -0.69 0.00 0.00 178.15 177.85 1xyx h THR 183 N 0.91 1.31 0.12 -0.27 2.02 -0.03 0.11 112.91 117.07 1xyx h THR 183 Ca 0.22 -1.75 0.01 0.00 0.77 0.00 0.00 66.41 65.66 1xyx h THR 183 Cb 0.16 1.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 1xyx h THR 183 CO -0.02 0.55 -0.17 0.40 0.37 0.00 0.00 175.52 176.65 1xyx h ILE 184 N 0.44 0.61 0.16 3.11 2.04 -0.79 -0.99 117.51 122.09 1xyx h ILE 184 Ca -0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1xyx h ILE 184 Cb 1.15 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 1xyx h ILE 184 CO 0.12 0.00 -0.43 0.50 0.00 0.00 0.00 178.15 178.34 1xyx h LYS 185 N -0.34 -0.67 -0.27 2.37 3.11 -0.29 0.11 116.57 120.59 1xyx h LYS 185 Ca 0.02 0.05 0.07 0.00 -2.81 0.00 0.00 60.65 57.97 1xyx h LYS 185 Cb 0.35 0.15 -0.07 0.00 -1.00 0.00 0.00 32.23 31.66 1xyx h LYS 185 CO -0.08 -0.44 -0.26 1.96 -2.81 0.00 0.00 179.45 177.81 1xyx h GLN 186 N -0.69 -0.25 0.00 1.90 7.50 -0.65 0.53 115.11 123.45 1xyx h GLN 186 Ca 0.01 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.18 1xyx h GLN 186 Cb 0.70 0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.29 1xyx h GLN 186 CO -0.22 -0.17 0.00 0.72 -1.50 0.00 0.00 178.83 177.66 1xyx n HIS 187 N -5.39 0.05 0.07 2.96 8.25 -0.39 0.17 115.22 120.95 1xyx n HIS 187 Ca -0.01 0.02 0.05 0.00 -0.26 0.00 0.00 57.72 57.53 1xyx n HIS 187 Cb 0.31 -0.54 0.10 0.00 1.12 0.00 0.00 29.99 30.98 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 -1.55 0.61 0.07 1.59 -1.04 0.31 -4.45 114.28 109.82 1xyx n THR 188 Ca 0.02 -0.80 0.00 0.00 -2.04 0.00 0.00 64.05 61.23 1xyx n THR 188 Cb 0.12 0.78 0.00 0.00 -1.82 0.00 0.00 70.33 69.41 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 0.50 0.19 0.18 12.58 0.31 0.16 -4.38 118.33 127.87 1xyx n VAL 189 Ca 0.09 0.06 0.02 0.00 -0.01 0.00 0.00 64.34 64.51 1xyx n VAL 189 Cb 0.35 -0.57 0.10 0.00 -0.91 0.00 0.00 33.84 32.81 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 -3.08 1.42 -0.05 2.52 5.66 0.13 -0.35 114.28 120.53 1xyx n THR 190 Ca 0.00 0.35 -0.07 0.00 -3.05 0.00 0.00 64.05 61.29 1xyx n THR 190 Cb 0.00 -1.28 -0.05 0.00 -1.55 0.00 0.00 70.33 67.46 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 -1.42 0.57 0.18 1.09 -1.04 -1.23 -4.66 114.28 107.77 1xyx n THR 191 Ca 0.02 -0.23 0.02 0.00 -2.04 0.00 0.00 64.05 61.82 1xyx n THR 191 Cb 0.05 -0.85 0.35 0.00 -1.82 0.00 0.00 70.33 68.06 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 1.25 0.00 12.58 2.02 -1.06 -1.71 112.91 125.99 1xyx h THR 192 Ca -0.22 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 65.63 1xyx h THR 192 Cb 1.35 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 1xyx h THR 192 CO -0.03 0.38 0.09 1.07 0.37 0.00 0.00 175.52 177.40 1xyx n THR 193 N -4.05 1.06 -0.00 3.16 5.66 0.52 -3.20 114.28 117.43 1xyx n THR 193 Ca -0.02 0.69 -0.04 0.00 -3.05 0.00 0.00 64.05 61.64 1xyx n THR 193 Cb 0.42 -1.69 -0.01 0.00 -1.55 0.00 0.00 70.33 67.49 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 -2.04 0.21 0.00 1.09 4.01 -0.75 -5.04 118.16 115.63 1xyx n LYS 194 Ca -0.01 0.08 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 1xyx n LYS 194 Cb 0.12 -0.86 0.00 0.00 -0.51 0.00 0.00 35.03 33.77 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 2.70 0.00 3.68 0.72 0.00 -0.99 -5.13 105.19 106.16 1xyx n GLY 195 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 4.18 0.13 1.61 2.56 -0.72 -4.95 118.70 121.51 1xyx s GLU 196 Ca 0.00 0.19 -0.16 0.00 0.00 0.00 0.00 54.97 55.00 1xyx s GLU 196 Cb 0.00 -3.53 0.03 0.00 2.00 0.00 0.00 34.13 32.64 1xyx s GLU 196 CO 0.00 -0.01 0.39 1.21 -0.56 0.00 0.00 175.26 176.29 1xyx s ASN 197 N 0.99 -0.21 0.48 -1.70 3.04 -1.26 -2.54 114.94 113.73 1xyx s ASN 197 Ca 0.19 -0.35 0.05 0.00 0.04 0.00 0.00 52.86 52.79 1xyx s ASN 197 Cb -0.15 0.47 -0.01 0.00 -1.54 0.00 0.00 41.25 40.02 1xyx s ASN 197 CO 0.08 -0.85 0.19 -0.36 -3.04 0.00 0.00 177.10 173.12 1xyx s PHE 198 N -3.81 2.10 0.34 0.43 0.40 -1.26 -5.14 117.98 111.03 1xyx s PHE 198 Ca 0.03 -0.77 0.05 0.00 -0.60 0.00 0.00 56.93 55.64 1xyx s PHE 198 Cb 0.02 -1.84 -0.01 0.00 0.51 0.00 0.00 43.02 41.69 1xyx s PHE 198 CO -0.12 0.01 0.49 0.95 0.70 0.00 0.00 175.22 177.25 1xyx s THR 199 N -2.74 4.33 0.30 0.64 -4.23 -1.26 -4.90 115.64 107.79 1xyx s THR 199 Ca 0.29 -0.89 0.06 0.00 -1.18 0.00 0.00 61.69 59.97 1xyx s THR 199 Cb 0.02 -3.53 0.30 0.00 1.34 0.00 0.00 72.50 70.63 1xyx s THR 199 CO 0.16 -0.24 1.76 -0.08 -0.54 0.00 0.00 174.62 175.69 1xyx h GLU 200 N 0.86 0.68 0.97 3.99 4.81 -2.01 0.14 114.58 124.02 1xyx h GLU 200 Ca -0.47 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.67 1xyx h GLU 200 Cb 1.25 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 30.49 1xyx h GLU 200 CO 0.55 0.45 -0.47 1.15 -0.73 0.00 0.00 179.01 179.97 1xyx h THR 201 N 0.70 0.03 -0.80 0.32 2.02 -1.99 0.58 112.91 113.77 1xyx h THR 201 Ca 0.58 -0.02 0.12 0.00 0.77 0.00 0.00 66.41 67.87 1xyx h THR 201 Cb 0.95 0.04 -0.09 0.00 -1.74 0.00 0.00 68.15 67.31 1xyx h THR 201 CO -0.41 0.00 0.41 0.44 0.37 0.00 0.00 175.52 176.33 1xyx h ASP 202 N -1.32 0.51 0.28 4.18 5.19 -1.55 -1.70 116.42 122.01 1xyx h ASP 202 Ca -0.13 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1xyx h ASP 202 Cb 1.00 -0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.49 1xyx h ASP 202 CO 0.22 0.24 -0.24 0.58 -3.12 0.00 0.00 179.24 176.92 1xyx h VAL 203 N 0.63 0.48 -0.71 -1.35 2.07 -0.61 -0.54 116.25 116.22 1xyx h VAL 203 Ca 0.42 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.93 1xyx h VAL 203 Cb 0.53 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1xyx h VAL 203 CO -0.33 0.00 0.40 0.07 0.02 0.00 0.00 177.57 177.74 1xyx h LYS 204 N -0.54 0.97 -0.06 1.57 2.10 -0.36 -2.44 116.57 117.82 1xyx h LYS 204 Ca -0.02 -0.10 -0.12 0.00 -2.00 0.00 0.00 60.65 58.41 1xyx h LYS 204 Cb 0.49 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 1xyx h LYS 204 CO -0.03 0.70 -0.53 0.52 -2.00 0.00 0.00 179.45 178.11 1xyx h MET 205 N 0.98 0.16 -0.41 0.07 2.86 -1.05 -1.85 114.93 115.69 1xyx h MET 205 Ca 0.25 -0.09 0.04 0.00 -2.06 0.00 0.00 59.70 57.84 1xyx h MET 205 Cb 0.00 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 1xyx h MET 205 CO -0.04 0.65 0.19 0.52 1.06 0.00 0.00 176.91 179.28 1xyx h MET 206 N 0.12 0.37 0.00 1.72 2.86 -0.63 -2.10 114.93 117.28 1xyx h MET 206 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1xyx h MET 206 Cb 0.98 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1xyx h MET 206 CO 0.08 0.24 0.00 0.39 1.06 0.00 0.00 176.91 178.68 1xyx n GLU 207 N -4.95 0.02 -0.07 1.72 1.02 -0.71 -0.61 120.64 117.06 1xyx n GLU 207 Ca 0.02 0.35 -0.07 0.00 -0.02 0.00 0.00 57.16 57.45 1xyx n GLU 207 Cb 0.12 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.00 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 -0.28 3.49 9.65 -1.31 -3.40 114.38 122.53 1xyx h ARG 208 Ca 0.00 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.74 1xyx h ARG 208 Cb 0.10 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 1xyx h ARG 208 CO 0.00 0.23 -0.40 -0.24 2.80 0.00 0.00 179.97 182.37 1xyx h VAL 209 N -1.00 1.29 -0.60 0.20 3.04 -0.68 -2.32 116.25 116.19 1xyx h VAL 209 Ca -0.06 -1.56 -0.09 0.00 -1.01 0.00 0.00 66.70 63.98 1xyx h VAL 209 Cb 0.54 1.50 -0.02 0.00 -2.01 0.00 0.00 31.29 31.30 1xyx h VAL 209 CO -0.03 0.50 0.01 0.58 -1.01 0.00 0.00 177.57 177.62 1xyx h VAL 210 N 0.55 1.26 0.55 1.51 2.07 -1.13 0.12 116.25 121.18 1xyx h VAL 210 Ca 0.05 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 1xyx h VAL 210 Cb 0.92 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1xyx h VAL 210 CO 0.08 0.41 -0.38 -0.08 0.02 0.00 0.00 177.57 177.62 1xyx h GLU 211 N 0.95 -0.87 -0.26 1.57 4.81 -1.73 0.35 114.58 119.41 1xyx h GLU 211 Ca 0.17 0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1xyx h GLU 211 Cb 0.53 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1xyx h GLU 211 CO 0.03 -0.58 0.00 1.96 -0.73 0.00 0.00 179.01 179.69 1xyx h GLN 212 N -0.90 0.39 0.37 1.92 1.08 -0.98 0.25 115.11 117.24 1xyx h GLN 212 Ca -0.06 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.05 1xyx h GLN 212 Cb 0.75 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 1xyx h GLN 212 CO 0.03 0.42 -0.18 0.52 -0.95 0.00 0.00 178.83 178.67 1xyx h MET 213 N 0.38 -0.48 -0.99 1.46 2.86 -0.88 -2.80 114.93 114.48 1xyx h MET 213 Ca 0.09 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.82 1xyx h MET 213 Cb 0.25 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.96 1xyx h MET 213 CO 0.01 -0.19 0.64 0.00 1.06 0.00 0.00 176.91 178.43 1xyx h VAL 215 N 1.18 0.55 -0.93 0.00 2.07 -0.61 0.18 116.25 118.69 1xyx h VAL 215 Ca 0.42 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.78 1xyx h VAL 215 Cb 0.13 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 1xyx h VAL 215 CO -0.16 0.04 0.61 0.74 0.02 0.00 0.00 177.57 178.82 1xyx h THR 216 N -0.72 1.14 0.11 2.57 2.02 -1.18 0.16 112.91 117.01 1xyx h THR 216 Ca -0.06 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 1xyx h THR 216 Cb 0.52 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1xyx h THR 216 CO 0.10 0.21 -0.05 -0.61 0.37 0.00 0.00 175.52 175.54 1xyx h GLN 217 N 1.15 -0.14 -0.58 6.66 -0.00 -0.58 0.19 115.11 121.80 1xyx h GLN 217 Ca 0.38 0.01 0.09 0.00 -0.00 0.00 0.00 58.65 59.13 1xyx h GLN 217 Cb 0.06 0.03 -0.07 0.00 0.00 0.00 0.00 27.48 27.50 1xyx h GLN 217 CO -0.12 0.02 0.18 -0.92 0.00 0.00 0.00 178.83 177.99 1xyx h TYR 218 N -0.28 0.30 -0.09 3.99 3.20 -0.69 -0.26 116.97 123.15 1xyx h TYR 218 Ca -0.02 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.91 1xyx h TYR 218 Cb 0.23 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 1xyx h TYR 218 CO -0.03 0.05 0.08 1.96 -1.64 0.00 0.00 178.16 178.59 1xyx h GLN 219 N 0.34 0.00 0.54 1.82 4.20 -0.56 0.75 115.11 122.20 1xyx h GLN 219 Ca 0.29 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.98 1xyx h GLN 219 Cb 0.38 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.17 1xyx h GLN 219 CO -0.32 0.00 -0.26 0.87 -0.67 0.00 0.00 178.83 178.45 1xyx h LYS 220 N 0.00 -0.70 -0.13 1.46 6.56 0.88 -1.25 116.57 123.40 1xyx h LYS 220 Ca 0.04 0.05 -0.13 0.00 -1.06 0.00 0.00 60.65 59.55 1xyx h LYS 220 Cb 0.21 0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 32.02 1xyx h LYS 220 CO -0.00 -0.40 -0.47 0.93 -2.06 0.00 0.00 179.45 177.45 1xyx h GLU 221 N -1.07 0.32 -0.16 3.15 4.39 -1.26 -1.52 114.58 118.43 1xyx h GLU 221 Ca -0.07 -0.17 -0.08 0.00 0.34 0.00 0.00 59.36 59.37 1xyx h GLU 221 Cb 0.62 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1xyx h GLU 221 CO 0.12 0.73 -0.26 0.66 -1.16 0.00 0.00 179.01 179.10 1xyx h SER 222 N 0.26 0.28 -0.53 1.42 4.64 -0.94 -1.87 113.55 116.81 1xyx h SER 222 Ca 0.01 -0.09 -0.10 0.00 -0.47 0.00 0.00 61.79 61.15 1xyx h SER 222 Cb 0.93 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.93 1xyx h SER 222 CO 0.08 0.55 -0.05 -0.61 -0.87 0.00 0.00 176.83 175.92 1xyx h GLN 223 N 0.26 0.98 -0.24 4.77 4.15 -0.74 0.16 115.11 124.44 1xyx h GLN 223 Ca 0.04 -0.34 0.07 0.00 0.77 0.00 0.00 58.65 59.19 1xyx h GLN 223 Cb 0.60 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 1xyx h GLN 223 CO 0.04 1.01 0.24 0.00 -1.93 0.00 0.00 178.83 178.20 1xyx h ALA 224 N 0.93 1.95 0.01 3.38 0.00 -0.66 0.18 119.26 125.05 1xyx h ALA 224 Ca 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xyx h ALA 224 Cb 0.61 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1xyx h ALA 224 CO 0.04 -0.37 -0.00 -0.92 0.00 0.00 0.00 179.25 178.00 1xyx h TYR 225 N 0.00 -0.01 -0.30 0.00 5.03 -0.78 -3.07 116.97 117.84 1xyx h TYR 225 Ca 0.12 -0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.31 1xyx h TYR 225 Cb 0.60 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.87 1xyx h TYR 225 CO 0.00 0.60 -0.28 1.88 -1.32 0.00 0.00 178.16 179.04 1xyx h TYR 226 N -0.99 0.70 -0.00 -3.82 0.05 -0.03 -0.30 116.97 112.58 1xyx h TYR 226 Ca -0.00 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.61 1xyx h TYR 226 Cb 0.61 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.19 1xyx h TYR 226 CO 0.17 0.83 -0.03 -0.25 -1.05 0.00 0.00 178.16 177.83 1xyx n ASP 227 N -4.09 0.33 -2.17 3.88 8.00 0.56 -4.45 116.55 118.60 1xyx n ASP 227 Ca -0.01 -0.81 -0.12 0.00 0.71 0.00 0.00 54.79 54.57 1xyx n ASP 227 Cb 0.45 -0.07 -0.13 0.00 -0.02 0.00 0.00 41.12 41.34 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 1.14 2.76 1.67 0.44 0.00 -0.12 -3.28 105.19 107.80 1xyx n GLY 228 Ca 0.19 -1.03 -0.04 0.00 0.00 0.00 0.00 46.02 45.14 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 2.67 0.52 -2.62 1.61 -4.01 -1.26 -4.99 116.66 108.58 1xyx n ARG 229 Ca 0.38 -1.32 -0.13 0.00 -1.04 0.00 0.00 57.85 55.75 1xyx n ARG 229 Cb 0.73 0.30 0.02 0.00 -3.04 0.00 0.00 32.46 30.47 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 -0.46 1.74 -1.58 2.89 5.12 -1.21 -4.88 116.66 118.28 1xyx n ARG 230 Ca -0.19 -3.57 -0.42 0.00 -1.93 0.00 0.00 57.85 51.74 1xyx n ARG 230 Cb 0.81 -1.51 -0.02 0.00 -1.16 0.00 0.00 32.46 30.57 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 -0.20 3.44 0.00 0.55 7.64 -1.26 -5.20 113.62 118.59 1xyx n SER 231 Ca 0.16 -2.79 0.00 0.00 1.01 0.00 0.00 58.87 57.26 1xyx n SER 231 Cb 0.79 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 1xyx n SER 231 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79