#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dwz n LEU 125 N 0.00 3.11 0.00 0.99 4.77 -1.26 -5.07 117.00 119.53 1dwz n LEU 125 Ca 0.00 -5.33 0.00 0.00 -0.03 0.00 0.00 56.01 50.65 1dwz n LEU 125 Cb 0.00 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1dwz n LEU 125 CO 0.00 2.12 0.00 0.61 -1.33 0.00 0.00 177.39 178.79 1dwz n GLY 126 N 0.74 0.46 2.63 -0.72 0.00 -1.26 -0.83 105.19 106.21 1dwz n GLY 126 Ca 0.28 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 1dwz n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dwz n GLY 127 N 0.00 4.78 3.50 -0.02 0.00 -1.26 -5.10 105.19 107.09 1dwz n GLY 127 Ca 0.00 -2.34 -0.30 0.00 0.00 0.00 0.00 46.02 43.38 1dwz n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dwz s TYR 128 N -3.03 0.20 0.02 1.61 1.51 -0.01 -5.07 117.35 112.60 1dwz s TYR 128 Ca 0.45 0.56 -0.06 0.00 -1.01 0.00 0.00 57.07 57.02 1dwz s TYR 128 Cb 0.31 -3.26 -0.05 0.00 -0.11 0.00 0.00 41.96 38.85 1dwz s TYR 128 CO -0.11 -4.22 0.27 -1.64 -1.11 0.00 0.00 175.55 168.73 1dwz s MET 129 N -5.25 3.56 -0.14 -0.62 -1.94 0.33 -4.99 119.30 110.26 1dwz s MET 129 Ca 0.70 -0.12 -0.02 0.00 -1.71 0.00 0.00 55.69 54.53 1dwz s MET 129 Cb -0.12 -3.05 0.05 0.00 2.01 0.00 0.00 34.83 33.71 1dwz s MET 129 CO 0.57 0.63 0.02 -1.17 -0.01 0.00 0.00 175.02 175.06 1dwz s LEU 130 N -1.92 0.87 0.00 -0.03 1.98 -1.26 -0.27 118.68 118.05 1dwz s LEU 130 Ca 0.29 -0.48 0.17 0.00 -2.89 0.00 0.00 54.13 51.23 1dwz s LEU 130 Cb -0.13 -0.51 1.02 0.00 0.66 0.00 0.00 46.19 47.24 1dwz s LEU 130 CO 0.18 -0.26 1.56 0.61 -1.89 0.00 0.00 176.35 176.55 1dwz n GLY 131 N 5.11 -0.85 7.00 7.98 0.00 -1.20 -5.00 105.19 118.22 1dwz n GLY 131 Ca -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1dwz n GLY 131 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1dwz n SER 132 N -0.81 -1.85 -4.64 1.61 2.88 -1.26 -4.76 113.62 104.78 1dwz n SER 132 Ca 0.13 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.27 1dwz n SER 132 Cb 0.06 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.55 1dwz n SER 132 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dwz n ALA 133 N 0.88 0.49 -2.78 -1.46 0.00 -1.26 -4.13 120.51 112.25 1dwz n ALA 133 Ca 0.00 0.13 -0.34 0.00 0.00 0.00 0.00 53.44 53.24 1dwz n ALA 133 Cb 0.00 -2.15 -0.07 0.00 0.00 0.00 0.00 19.45 17.23 1dwz n ALA 133 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1dwz s MET 134 N -2.42 2.23 0.86 0.00 -1.94 -0.47 -4.95 119.30 112.62 1dwz s MET 134 Ca 0.68 -2.44 -0.12 0.00 -1.71 0.00 0.00 55.69 52.11 1dwz s MET 134 Cb -0.48 -1.53 0.10 0.00 2.01 0.00 0.00 34.83 34.93 1dwz s MET 134 CO 0.52 -0.41 1.08 0.45 -0.01 0.00 0.00 175.02 176.66 1dwz n SER 135 N -1.32 0.38 -4.21 3.03 2.88 -1.26 -5.01 113.62 108.11 1dwz n SER 135 Ca -0.21 0.50 -0.36 0.00 -1.33 0.00 0.00 58.87 57.47 1dwz n SER 135 Cb 0.67 -1.46 -0.13 0.00 -0.75 0.00 0.00 64.21 62.54 1dwz n SER 135 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1dwz s ARG 136 N -4.21 2.49 0.61 -1.46 0.52 -1.26 -4.97 118.95 110.67 1dwz s ARG 136 Ca 0.69 -1.25 -0.18 0.00 -0.52 0.00 0.00 55.73 54.47 1dwz s ARG 136 Cb -0.26 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 31.87 1dwz s ARG 136 CO 0.55 -0.65 1.18 -1.25 0.02 0.00 0.00 175.30 175.15 1dwz s PRO 137 N 1.31 2.91 0.51 3.54 0.05 -1.26 -5.07 135.00 137.00 1dwz s PRO 137 Ca -0.03 1.72 -0.17 0.00 0.05 0.00 0.00 61.00 62.56 1dwz s PRO 137 Cb -0.20 -1.93 -0.08 0.00 0.05 0.00 0.00 34.50 32.34 1dwz s PRO 137 CO 0.00 -1.22 0.99 -1.17 0.05 0.00 0.00 177.00 175.65 1dwz s LEU 138 N -4.27 3.67 0.02 -3.56 0.20 -1.26 -5.05 118.68 108.44 1dwz s LEU 138 Ca 0.75 1.65 0.06 0.00 0.69 0.00 0.00 54.13 57.28 1dwz s LEU 138 Cb -0.28 -4.52 -0.02 0.00 -0.43 0.00 0.00 46.19 40.94 1dwz s LEU 138 CO 0.35 -0.65 -0.18 -0.63 -0.29 0.00 0.00 176.35 174.94 1dwz s ILE 139 N -2.48 1.41 -0.15 6.68 1.01 -1.26 -5.13 121.20 121.29 1dwz s ILE 139 Ca 0.61 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 60.19 1dwz s ILE 139 Cb -0.11 -1.21 -0.05 0.00 0.01 0.00 0.00 42.46 41.10 1dwz s ILE 139 CO 0.28 0.24 0.23 -1.00 0.00 0.00 0.00 174.94 174.70 1dwz s HIS 140 N -0.63 3.50 -0.15 3.97 3.76 -1.26 -4.88 115.29 119.60 1dwz s HIS 140 Ca 0.06 0.56 -0.08 0.00 -0.15 0.00 0.00 55.06 55.45 1dwz s HIS 140 Cb -0.08 -2.21 -0.07 0.00 1.11 0.00 0.00 32.58 31.33 1dwz s HIS 140 CO 0.01 0.39 -0.20 1.19 -0.85 0.00 0.00 174.74 175.28 1dwz n PHE 141 N 3.07 0.00 0.00 1.40 3.01 -1.26 -5.06 117.46 118.62 1dwz n PHE 141 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.31 1dwz n PHE 141 Cb 0.53 -0.55 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 1dwz n PHE 141 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dwz n GLY 142 N 2.04 1.58 3.73 1.37 0.00 -1.26 -5.11 105.19 107.55 1dwz n GLY 142 Ca -0.30 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 1dwz n GLY 142 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dwz s SER 143 N -0.03 7.28 0.53 1.61 0.01 -1.26 -4.94 113.70 116.91 1dwz s SER 143 Ca 0.00 1.54 0.24 0.00 1.31 0.00 0.00 55.95 59.04 1dwz s SER 143 Cb 0.00 -2.51 1.48 0.00 0.21 0.00 0.00 66.02 65.20 1dwz s SER 143 CO 0.00 -0.06 2.14 0.44 0.41 0.00 0.00 173.24 176.17 1dwz h ASP 144 N 5.93 0.00 0.17 2.44 5.19 -2.00 -2.79 116.42 125.36 1dwz h ASP 144 Ca -0.43 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.97 1dwz h ASP 144 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 1dwz h ASP 144 CO 0.72 0.07 -0.08 0.22 -3.12 0.00 0.00 179.24 177.05 1dwz h TYR 145 N 0.00 -0.22 -0.14 4.55 3.20 -2.00 -2.55 116.97 119.80 1dwz h TYR 145 Ca -0.00 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.91 1dwz h TYR 145 Cb 0.15 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1dwz h TYR 145 CO 0.00 -0.11 0.16 0.93 -1.64 0.00 0.00 178.16 177.50 1dwz h GLU 146 N -0.27 0.00 0.16 1.82 5.08 -1.91 0.45 114.58 119.92 1dwz h GLU 146 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1dwz h GLU 146 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1dwz h GLU 146 CO 0.04 0.00 -0.08 0.22 -1.00 0.00 0.00 179.01 178.19 1dwz h ASP 147 N 0.00 -0.18 -0.81 1.42 1.82 -1.40 0.89 116.42 118.16 1dwz h ASP 147 Ca 0.07 -0.29 -0.00 0.00 -0.39 0.00 0.00 57.03 56.41 1dwz h ASP 147 Cb 0.38 0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.40 1dwz h ASP 147 CO -0.00 0.22 0.49 0.03 -1.61 0.00 0.00 179.24 178.37 1dwz h ARG 148 N -0.62 1.09 -0.21 0.28 -0.00 -1.34 -0.91 114.38 112.67 1dwz h ARG 148 Ca -0.02 -0.10 0.05 0.00 -0.50 0.00 0.00 59.98 59.41 1dwz h ARG 148 Cb 0.46 -0.23 -0.05 0.00 0.00 0.00 0.00 29.97 30.16 1dwz h ARG 148 CO 0.04 0.77 -0.10 -0.92 0.00 0.00 0.00 179.97 179.76 1dwz h TYR 149 N 1.11 -0.22 0.32 3.04 5.03 -0.74 -0.30 116.97 125.20 1dwz h TYR 149 Ca 0.29 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.61 1dwz h TYR 149 Cb -0.04 0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.37 1dwz h TYR 149 CO -0.01 -0.15 -0.15 -0.92 -1.32 0.00 0.00 178.16 175.61 1dwz h TYR 150 N -0.07 -0.40 0.61 -3.82 3.20 -0.68 -3.15 116.97 112.67 1dwz h TYR 150 Ca 0.11 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 1dwz h TYR 150 Cb 0.24 0.13 0.01 0.00 1.54 0.00 0.00 36.73 38.64 1dwz h TYR 150 CO -0.26 -0.13 -0.29 0.00 -1.64 0.00 0.00 178.16 175.83 1dwz h ARG 151 N -0.62 -0.79 0.00 1.82 3.08 -0.69 -0.81 114.38 116.37 1dwz h ARG 151 Ca -0.04 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1dwz h ARG 151 Cb 0.44 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 1dwz h ARG 151 CO 0.07 -0.48 -0.08 0.93 -1.07 0.00 0.00 179.97 179.35 1dwz h GLU 152 N -1.04 0.00 -0.36 0.04 5.08 -1.24 -2.87 114.58 114.19 1dwz h GLU 152 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1dwz h GLU 152 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1dwz h GLU 152 CO 0.14 0.08 0.00 0.09 -1.00 0.00 0.00 179.01 178.31 1dwz n ASN 153 N -3.77 4.01 -0.29 1.42 3.02 -1.10 -4.75 115.26 113.80 1dwz n ASN 153 Ca -0.02 -2.73 0.10 0.00 -0.03 0.00 0.00 54.58 51.90 1dwz n ASN 153 Cb 0.17 -0.50 0.26 0.00 -0.61 0.00 0.00 39.78 39.10 1dwz n ASN 153 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1dwz h MET 154 N 2.38 0.37 -0.50 3.52 2.86 -0.91 0.18 114.93 122.83 1dwz h MET 154 Ca 0.00 -0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.76 1dwz h MET 154 Cb 1.36 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.91 1dwz h MET 154 CO 0.21 0.25 0.50 0.45 1.06 0.00 0.00 176.91 179.37 1dwz h HIS 155 N 0.38 0.00 0.00 -0.22 3.86 -1.87 -1.55 115.15 115.75 1dwz h HIS 155 Ca 0.50 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.71 1dwz h HIS 155 Cb 0.90 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.37 1dwz h HIS 155 CO -0.17 0.00 -0.02 0.00 0.86 0.00 0.00 177.93 178.60 1dwz h ARG 156 N 0.00 0.00 -6.07 2.45 2.47 -1.03 -3.44 114.38 108.76 1dwz h ARG 156 Ca 0.24 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 58.31 1dwz h ARG 156 Cb 1.23 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 29.46 1dwz h ARG 156 CO -0.00 0.02 -0.58 0.71 0.56 0.00 0.00 179.97 180.67 1dwz s TYR 157 N -3.66 3.26 0.04 3.04 2.02 -0.58 -5.04 117.35 116.43 1dwz s TYR 157 Ca 0.01 0.15 -0.30 0.00 -0.37 0.00 0.00 57.07 56.56 1dwz s TYR 157 Cb 0.09 -1.69 -0.08 0.00 -0.40 0.00 0.00 41.96 39.88 1dwz s TYR 157 CO 0.56 0.54 1.74 -1.25 -1.57 0.00 0.00 175.55 175.57 1dwz s PRO 158 N -2.07 4.17 0.00 -1.71 0.04 -1.26 -4.86 135.00 129.31 1dwz s PRO 158 Ca 0.26 2.39 0.30 0.00 0.04 0.00 0.00 61.00 64.00 1dwz s PRO 158 Cb -0.12 -3.81 1.51 0.00 0.04 0.00 0.00 34.50 32.12 1dwz s PRO 158 CO 0.18 -0.82 2.05 0.27 0.04 0.00 0.00 177.00 178.72 1dwz n ASN 159 N 6.40 0.02 -4.51 6.66 6.94 -1.26 -4.80 115.26 124.70 1dwz n ASN 159 Ca 0.17 -0.16 -0.25 0.00 -0.02 0.00 0.00 54.58 54.33 1dwz n ASN 159 Cb 0.41 -0.28 -0.10 0.00 -2.36 0.00 0.00 39.78 37.45 1dwz n ASN 159 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1dwz s GLN 160 N -2.57 1.75 0.08 -3.83 -0.21 -1.26 -1.36 119.66 112.26 1dwz s GLN 160 Ca 0.28 -1.90 0.05 0.00 0.02 0.00 0.00 55.36 53.82 1dwz s GLN 160 Cb 0.20 -1.56 -0.03 0.00 1.00 0.00 0.00 33.01 32.62 1dwz s GLN 160 CO 0.46 0.11 -0.13 0.14 -2.12 0.00 0.00 175.29 173.75 1dwz s VAL 161 N -2.72 1.11 -0.11 1.09 -7.23 -1.26 -5.01 120.40 106.28 1dwz s VAL 161 Ca 0.32 -1.41 -0.05 0.00 -1.81 0.00 0.00 61.98 59.03 1dwz s VAL 161 Cb 0.03 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 1dwz s VAL 161 CO 0.15 -0.30 0.09 -0.31 -0.31 0.00 0.00 175.10 174.42 1dwz s TYR 162 N -1.55 3.44 0.21 2.82 2.02 -1.26 -3.28 117.35 119.75 1dwz s TYR 162 Ca 0.00 0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 57.09 1dwz s TYR 162 Cb -0.08 -1.88 0.01 0.00 -0.40 0.00 0.00 41.96 39.60 1dwz s TYR 162 CO 0.02 0.64 0.31 2.48 -1.57 0.00 0.00 175.55 177.43 1dwz n TYR 163 N 2.03 -1.12 -4.39 2.71 4.11 0.63 -4.64 117.16 116.49 1dwz n TYR 163 Ca -0.19 -1.37 -0.20 0.00 -0.00 0.00 0.00 57.90 56.14 1dwz n TYR 163 Cb 0.54 0.35 -0.10 0.00 -0.00 0.00 0.00 39.34 40.14 1dwz n TYR 163 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1dwz s ARG 164 N -2.43 1.44 1.25 -3.48 3.00 -1.26 -0.52 118.95 116.95 1dwz s ARG 164 Ca 0.16 -1.70 -0.20 0.00 0.00 0.00 0.00 55.73 54.00 1dwz s ARG 164 Cb -0.01 -1.08 0.30 0.00 0.00 0.00 0.00 34.95 34.16 1dwz s ARG 164 CO 0.12 0.08 1.08 -1.25 0.00 0.00 0.00 175.30 175.33 1dwz s PRO 165 N -3.71 -1.59 0.53 3.54 0.04 -1.26 -4.94 135.00 127.61 1dwz s PRO 165 Ca 0.27 -0.07 0.30 0.00 0.04 0.00 0.00 61.00 61.54 1dwz s PRO 165 Cb 0.02 -1.55 1.48 0.00 0.04 0.00 0.00 34.50 34.49 1dwz s PRO 165 CO 0.10 -3.95 2.06 -0.39 0.04 0.00 0.00 177.00 174.86 1dwz h VAL 166 N -2.75 0.43 -3.17 -0.36 -1.51 -1.96 -3.42 116.25 103.51 1dwz h VAL 166 Ca -0.44 -0.54 -0.58 0.00 -1.23 0.00 0.00 66.70 63.91 1dwz h VAL 166 Cb 1.30 1.38 0.12 0.00 -2.13 0.00 0.00 31.29 31.96 1dwz h VAL 166 CO 0.32 0.10 0.34 -0.67 -1.23 0.00 0.00 177.57 176.43 1dwz n ASP 167 N -3.48 2.02 0.00 4.19 2.03 -1.26 -1.69 116.55 118.35 1dwz n ASP 167 Ca -0.01 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.42 1dwz n ASP 167 Cb 0.25 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.23 1dwz n ASP 167 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dwz n GLN 168 N 0.32 0.00 -3.56 -0.67 6.02 -1.26 -4.78 117.38 113.44 1dwz n GLN 168 Ca 0.07 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.77 1dwz n GLN 168 Cb 0.37 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.50 1dwz n GLN 168 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 1dwz s TYR 169 N 0.00 1.04 0.00 1.08 1.13 -0.68 -5.01 117.35 114.91 1dwz s TYR 169 Ca 0.00 -1.68 0.00 0.00 -1.41 0.00 0.00 57.07 53.98 1dwz s TYR 169 Cb 0.00 -1.22 0.00 0.00 -1.10 0.00 0.00 41.96 39.64 1dwz s TYR 169 CO 0.00 -0.83 1.00 -1.13 -2.51 0.00 0.00 175.55 172.09 1dwz n SER 170 N 4.25 2.74 -4.06 -0.18 3.41 -0.96 -4.61 113.62 114.21 1dwz n SER 170 Ca 0.06 -1.64 -0.32 0.00 -0.26 0.00 0.00 58.87 56.71 1dwz n SER 170 Cb 0.38 -0.56 -0.14 0.00 -0.26 0.00 0.00 64.21 63.63 1dwz n SER 170 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1dwz s ASN 171 N 1.70 4.79 0.21 4.04 -0.87 -1.26 -4.99 114.94 118.55 1dwz s ASN 171 Ca 0.00 -1.89 -0.06 0.00 -1.57 0.00 0.00 52.86 49.34 1dwz s ASN 171 Cb 0.00 -1.65 0.16 0.00 -0.02 0.00 0.00 41.25 39.73 1dwz s ASN 171 CO 0.00 -0.35 1.65 -0.61 -2.57 0.00 0.00 177.10 175.21 1dwz h GLN 172 N 7.75 0.90 -0.03 -0.60 4.15 -1.98 -0.54 115.11 124.76 1dwz h GLN 172 Ca -0.10 -0.32 0.02 0.00 0.77 0.00 0.00 58.65 59.01 1dwz h GLN 172 Cb 1.03 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.62 1dwz h GLN 172 CO 0.54 0.96 -0.35 -0.91 -1.93 0.00 0.00 178.83 177.14 1dwz h ASN 173 N 0.81 -1.10 -0.26 -0.69 2.35 -1.99 0.13 115.58 114.82 1dwz h ASN 173 Ca 0.13 0.13 -0.16 0.00 -0.55 0.00 0.00 56.30 55.85 1dwz h ASN 173 Cb 0.64 0.42 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 1dwz h ASN 173 CO 0.04 -0.33 -0.41 0.78 -1.65 0.00 0.00 177.43 175.86 1dwz h ASN 174 N -0.42 0.88 -0.13 5.81 4.21 -1.96 -1.39 115.58 122.58 1dwz h ASN 174 Ca 0.01 -0.41 0.03 0.00 1.21 0.00 0.00 56.30 57.15 1dwz h ASN 174 Cb 0.46 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 37.38 1dwz h ASN 174 CO -0.25 1.17 -0.08 0.15 -1.29 0.00 0.00 177.43 177.13 1dwz h PHE 175 N 0.66 -0.18 -0.09 1.19 3.57 -0.85 0.12 116.94 121.36 1dwz h PHE 175 Ca 0.05 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1dwz h PHE 175 Cb 0.98 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 1dwz h PHE 175 CO 0.06 -0.12 -0.01 0.28 -2.23 0.00 0.00 178.31 176.28 1dwz h VAL 176 N -0.07 1.27 -0.78 1.41 2.07 -0.94 -0.90 116.25 118.31 1dwz h VAL 176 Ca 0.08 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.77 1dwz h VAL 176 Cb 0.19 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 1dwz h VAL 176 CO -0.18 0.24 0.50 0.45 0.02 0.00 0.00 177.57 178.60 1dwz h HIS 177 N -0.14 0.93 0.00 1.57 3.86 -0.99 0.15 115.15 120.52 1dwz h HIS 177 Ca 0.02 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.14 1dwz h HIS 177 Cb 0.38 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1dwz h HIS 177 CO 0.04 0.53 -0.58 -0.44 0.86 0.00 0.00 177.93 178.34 1dwz h ASP 178 N 0.96 0.00 -0.01 2.45 3.32 -0.77 0.52 116.42 122.89 1dwz h ASP 178 Ca 0.32 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.36 1dwz h ASP 178 Cb 0.03 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1dwz h ASP 178 CO -0.12 0.58 -0.02 0.00 -1.72 0.00 0.00 179.24 177.96 1dwz h VAL 180 N -0.51 0.80 0.46 0.00 2.07 -0.78 -0.58 116.25 117.70 1dwz h VAL 180 Ca 0.00 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1dwz h VAL 180 Cb 0.58 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1dwz h VAL 180 CO 0.00 0.03 -0.46 -1.13 0.02 0.00 0.00 177.57 176.04 1dwz h ASN 181 N 0.16 -1.25 0.01 0.57 -1.24 -0.82 0.75 115.58 113.76 1dwz h ASN 181 Ca 0.17 0.10 0.03 0.00 0.71 0.00 0.00 56.30 57.31 1dwz h ASN 181 Cb 0.20 0.41 -0.05 0.00 0.73 0.00 0.00 38.32 39.62 1dwz h ASN 181 CO -0.24 -0.62 -0.29 0.40 -1.29 0.00 0.00 177.43 175.40 1dwz h ILE 182 N -0.92 0.36 0.11 2.57 5.03 -1.14 0.08 117.51 123.60 1dwz h ILE 182 Ca -0.05 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.69 1dwz h ILE 182 Cb 0.81 0.36 0.00 0.00 -3.03 0.00 0.00 36.82 34.97 1dwz h ILE 182 CO -0.06 0.00 -0.05 0.74 -0.68 0.00 0.00 178.15 178.09 1dwz h THR 183 N -0.44 1.02 -0.44 -0.27 2.02 -0.82 -0.18 112.91 113.80 1dwz h THR 183 Ca 0.06 -0.53 -0.13 0.00 0.77 0.00 0.00 66.41 66.58 1dwz h THR 183 Cb 0.52 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1dwz h THR 183 CO -0.24 0.13 -0.22 0.58 0.37 0.00 0.00 175.52 176.14 1dwz h VAL 184 N -0.40 1.27 0.82 3.16 2.07 -0.90 -1.60 116.25 120.67 1dwz h VAL 184 Ca -0.02 -1.38 -0.04 0.00 0.82 0.00 0.00 66.70 66.09 1dwz h VAL 184 Cb 0.33 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1dwz h VAL 184 CO 0.03 0.47 -0.46 0.50 0.02 0.00 0.00 177.57 178.13 1dwz h LYS 185 N 0.77 -1.14 -0.44 1.57 3.64 -0.84 -0.09 116.57 120.04 1dwz h LYS 185 Ca 0.10 0.08 0.08 0.00 -1.27 0.00 0.00 60.65 59.64 1dwz h LYS 185 Cb 0.80 0.26 -0.07 0.00 -0.41 0.00 0.00 32.23 32.81 1dwz h LYS 185 CO 0.07 -0.76 0.02 0.93 -2.27 0.00 0.00 179.45 177.43 1dwz h GLU 186 N -1.19 0.13 -0.53 1.90 4.39 -1.04 0.00 114.58 118.24 1dwz h GLU 186 Ca -0.11 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.46 1dwz h GLU 186 Cb 0.93 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 1dwz h GLU 186 CO 0.14 0.09 -0.12 1.25 -1.16 0.00 0.00 179.01 179.21 1dwz h HIS 187 N 0.13 1.15 -0.01 4.33 2.76 -1.23 -1.34 115.15 120.94 1dwz h HIS 187 Ca 0.22 -0.24 -0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1dwz h HIS 187 Cb 0.31 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 28.99 1dwz h HIS 187 CO -0.27 1.07 0.00 1.15 -1.30 0.00 0.00 177.93 178.58 1dwz h THR 188 N 0.90 1.22 -0.07 6.26 2.02 -0.54 -1.52 112.91 121.18 1dwz h THR 188 Ca 0.14 -0.66 0.04 0.00 0.77 0.00 0.00 66.41 66.69 1dwz h THR 188 Cb 0.69 1.66 -0.06 0.00 -1.74 0.00 0.00 68.15 68.70 1dwz h THR 188 CO 0.05 0.17 -0.33 0.58 0.37 0.00 0.00 175.52 176.37 1dwz h VAL 189 N -0.26 0.29 -0.62 3.16 2.07 -0.92 -0.92 116.25 119.04 1dwz h VAL 189 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1dwz h VAL 189 Cb 0.28 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1dwz h VAL 189 CO 0.00 0.00 0.29 0.00 0.02 0.00 0.00 177.57 177.88 1dwz h THR 190 N -0.44 1.20 -0.23 2.57 1.03 -1.24 -1.61 112.91 114.19 1dwz h THR 190 Ca 0.08 -0.58 0.05 0.00 -0.01 0.00 0.00 66.41 65.95 1dwz h THR 190 Cb 0.56 0.42 -0.05 0.00 -1.07 0.00 0.00 68.15 68.00 1dwz h THR 190 CO -0.32 0.24 -0.11 0.74 -0.01 0.00 0.00 175.52 176.07 1dwz h THR 191 N 0.88 0.65 0.00 0.00 2.02 -0.50 -1.07 112.91 114.88 1dwz h THR 191 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1dwz h THR 191 Cb 0.10 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1dwz h THR 191 CO -0.03 0.00 0.00 0.35 0.37 0.00 0.00 175.52 176.21 1dwz n THR 192 N -5.27 0.00 -0.40 3.16 -2.24 -0.42 -1.42 114.28 107.68 1dwz n THR 192 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1dwz n THR 192 Cb 0.19 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1dwz n THR 192 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1dwz n THR 193 N -0.72 0.14 -2.61 4.28 5.66 -0.98 -4.75 114.28 115.30 1dwz n THR 193 Ca 0.07 -0.37 -0.11 0.00 -3.05 0.00 0.00 64.05 60.60 1dwz n THR 193 Cb 0.03 1.23 0.03 0.00 -1.55 0.00 0.00 70.33 70.08 1dwz n THR 193 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1dwz n LYS 194 N -0.07 1.98 -0.84 1.09 5.02 -0.44 -5.02 118.16 119.87 1dwz n LYS 194 Ca 0.00 -3.64 0.00 0.00 -2.02 0.00 0.00 58.31 52.65 1dwz n LYS 194 Cb 0.16 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 1dwz n LYS 194 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dwz n GLY 195 N -0.37 0.84 4.00 0.72 0.00 -0.77 -4.87 105.19 104.73 1dwz n GLY 195 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 1dwz n GLY 195 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dwz s GLU 196 N -0.16 2.48 0.15 1.61 0.41 -0.78 -5.04 118.70 117.37 1dwz s GLU 196 Ca 0.00 -1.55 -0.18 0.00 -0.41 0.00 0.00 54.97 52.83 1dwz s GLU 196 Cb 0.00 -2.61 0.04 0.00 -1.78 0.00 0.00 34.13 29.78 1dwz s GLU 196 CO 0.00 -0.61 0.47 1.21 -0.49 0.00 0.00 175.26 175.84 1dwz s ASN 197 N -4.50 -0.32 0.29 -0.19 2.47 -1.26 -4.42 114.94 107.01 1dwz s ASN 197 Ca 0.56 -0.27 0.02 0.00 0.42 0.00 0.00 52.86 53.59 1dwz s ASN 197 Cb -0.06 0.53 -0.06 0.00 -1.45 0.00 0.00 41.25 40.21 1dwz s ASN 197 CO 0.35 -0.92 0.08 -0.36 -3.72 0.00 0.00 177.10 172.53 1dwz s PHE 198 N -3.81 1.72 0.37 0.43 0.08 -1.26 -5.12 117.98 110.40 1dwz s PHE 198 Ca 0.04 -1.10 0.08 0.00 0.12 0.00 0.00 56.93 56.07 1dwz s PHE 198 Cb 0.01 -1.06 -0.02 0.00 -0.57 0.00 0.00 43.02 41.37 1dwz s PHE 198 CO -0.10 -0.20 0.33 0.95 -0.10 0.00 0.00 175.22 176.10 1dwz s THR 199 N -3.55 3.09 0.20 0.64 -4.23 -1.26 -5.01 115.64 105.52 1dwz s THR 199 Ca 0.37 -1.37 -0.10 0.00 -1.18 0.00 0.00 61.69 59.41 1dwz s THR 199 Cb 0.08 -3.09 0.15 0.00 1.34 0.00 0.00 72.50 70.98 1dwz s THR 199 CO 0.15 -0.09 1.83 -0.08 -0.54 0.00 0.00 174.62 175.88 1dwz h GLU 200 N 1.15 1.03 -0.77 3.99 4.81 -2.02 -2.51 114.58 120.26 1dwz h GLU 200 Ca -0.43 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 1dwz h GLU 200 Cb 1.26 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 1dwz h GLU 200 CO 0.58 0.76 0.45 1.15 -0.73 0.00 0.00 179.01 181.22 1dwz h THR 201 N 1.03 1.22 -0.54 0.32 2.02 -2.00 -2.28 112.91 112.67 1dwz h THR 201 Ca 0.26 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1dwz h THR 201 Cb 0.02 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.56 1dwz h THR 201 CO -0.04 0.23 0.31 0.44 0.37 0.00 0.00 175.52 176.82 1dwz h ASP 202 N 1.05 0.65 -0.91 4.18 3.32 -1.86 0.51 116.42 123.37 1dwz h ASP 202 Ca 0.27 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1dwz h ASP 202 Cb -0.02 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 1dwz h ASP 202 CO -0.05 0.52 0.58 0.40 -1.72 0.00 0.00 179.24 178.97 1dwz h ILE 203 N 0.75 1.24 -0.25 0.35 1.08 -1.06 -1.05 117.51 118.57 1dwz h ILE 203 Ca 0.19 -0.46 -0.17 0.00 -0.39 0.00 0.00 64.86 64.03 1dwz h ILE 203 Cb 0.00 -0.08 0.00 0.00 -3.07 0.00 0.00 36.82 33.68 1dwz h ILE 203 CO -0.03 0.24 -0.52 0.11 -0.69 0.00 0.00 178.15 177.25 1dwz h LYS 204 N 1.24 0.79 -0.35 2.37 6.56 -0.78 0.00 116.57 126.40 1dwz h LYS 204 Ca 0.33 -0.52 0.08 0.00 -1.06 0.00 0.00 60.65 59.48 1dwz h LYS 204 Cb -0.11 0.07 -0.08 0.00 -0.57 0.00 0.00 32.23 31.54 1dwz h LYS 204 CO -0.07 1.15 -0.19 0.52 -2.06 0.00 0.00 179.45 178.80 1dwz h MET 205 N 0.54 -0.13 0.68 3.15 2.86 -0.85 -1.89 114.93 119.29 1dwz h MET 205 Ca 0.01 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1dwz h MET 205 Cb 1.13 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 1dwz h MET 205 CO 0.12 -0.09 -0.47 0.52 1.06 0.00 0.00 176.91 178.05 1dwz h MET 206 N -0.14 -1.05 -0.40 1.72 2.86 -0.95 -2.47 114.93 114.50 1dwz h MET 206 Ca 0.18 0.07 0.08 0.00 -2.06 0.00 0.00 59.70 57.97 1dwz h MET 206 Cb 0.41 0.24 -0.08 0.00 0.06 0.00 0.00 31.60 32.24 1dwz h MET 206 CO -0.44 -0.70 -0.09 0.93 1.06 0.00 0.00 176.91 177.67 1dwz h GLU 207 N -1.09 0.01 0.48 1.72 5.08 -0.83 0.31 114.58 120.25 1dwz h GLU 207 Ca -0.09 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1dwz h GLU 207 Cb 0.89 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1dwz h GLU 207 CO 0.06 0.01 -0.23 0.00 -1.00 0.00 0.00 179.01 177.85 1dwz h ARG 208 N 0.01 -0.62 -0.34 2.33 3.08 -1.36 -0.18 114.38 117.30 1dwz h ARG 208 Ca 0.19 0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.34 1dwz h ARG 208 Cb 0.29 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 1dwz h ARG 208 CO -0.40 -0.37 0.02 0.28 -1.07 0.00 0.00 179.97 178.43 1dwz h VAL 209 N -0.73 0.78 -0.77 2.04 2.07 -1.09 0.15 116.25 118.70 1dwz h VAL 209 Ca -0.07 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.36 1dwz h VAL 209 Cb 0.53 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1dwz h VAL 209 CO 0.11 0.02 0.28 0.58 0.02 0.00 0.00 177.57 178.58 1dwz h VAL 210 N 0.13 1.26 0.25 2.57 2.07 -0.20 0.17 116.25 122.50 1dwz h VAL 210 Ca 0.16 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1dwz h VAL 210 Cb 0.21 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1dwz h VAL 210 CO -0.25 0.35 -0.12 -0.08 0.02 0.00 0.00 177.57 177.48 1dwz h GLU 211 N 1.13 -0.32 -0.52 1.57 4.81 -0.72 -1.42 114.58 119.11 1dwz h GLU 211 Ca 0.25 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.58 1dwz h GLU 211 Cb 0.26 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.65 1dwz h GLU 211 CO -0.02 -0.15 0.17 1.96 -0.73 0.00 0.00 179.01 180.24 1dwz h GLN 212 N -0.43 0.32 -0.10 1.92 1.08 -0.45 0.23 115.11 117.69 1dwz h GLN 212 Ca -0.03 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1dwz h GLN 212 Cb 0.32 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1dwz h GLN 212 CO 0.06 0.21 0.07 0.52 -0.95 0.00 0.00 178.83 178.74 1dwz h MET 213 N 0.33 0.13 -0.34 1.46 2.86 -0.65 -0.22 114.93 118.51 1dwz h MET 213 Ca 0.25 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.82 1dwz h MET 213 Cb 0.30 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1dwz h MET 213 CO -0.27 0.10 -0.04 0.00 1.06 0.00 0.00 176.91 177.75 1dwz h ILE 215 N 0.42 0.39 -0.74 0.00 2.04 -0.55 -1.15 117.51 117.91 1dwz h ILE 215 Ca 0.09 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 65.97 1dwz h ILE 215 Cb 0.52 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1dwz h ILE 215 CO 0.03 0.00 0.47 0.74 0.00 0.00 0.00 178.15 179.39 1dwz h THR 216 N 0.02 1.13 0.82 -0.27 2.02 -0.30 0.22 112.91 116.55 1dwz h THR 216 Ca 0.31 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 1dwz h THR 216 Cb 0.49 0.11 0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1dwz h THR 216 CO -0.63 0.17 -0.40 1.56 0.37 0.00 0.00 175.52 176.60 1dwz h GLN 217 N 0.93 -1.07 -0.95 6.66 4.20 -0.66 -2.13 115.11 122.11 1dwz h GLN 217 Ca 0.29 0.07 0.02 0.00 0.06 0.00 0.00 58.65 59.09 1dwz h GLN 217 Cb -0.01 0.24 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 1dwz h GLN 217 CO -0.10 -0.71 0.62 -0.92 -0.67 0.00 0.00 178.83 177.06 1dwz h TYR 218 N -1.11 1.18 -0.49 2.96 3.20 -0.95 -1.67 116.97 120.09 1dwz h TYR 218 Ca -0.11 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.74 1dwz h TYR 218 Cb 0.85 -0.40 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1dwz h TYR 218 CO -0.01 0.72 0.12 1.96 -1.64 0.00 0.00 178.16 179.31 1dwz h GLN 219 N 1.25 0.78 -0.34 1.82 4.20 -0.56 0.24 115.11 122.50 1dwz h GLN 219 Ca 0.36 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1dwz h GLN 219 Cb -0.10 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 1dwz h GLN 219 CO -0.09 0.75 0.22 0.00 -0.67 0.00 0.00 178.83 179.04 1dwz h ARG 220 N 0.66 0.45 0.00 1.46 3.08 -0.97 -0.12 114.38 118.94 1dwz h ARG 220 Ca 0.15 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 60.03 1dwz h ARG 220 Cb 0.32 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1dwz h ARG 220 CO 0.00 0.30 -0.71 0.93 -1.07 0.00 0.00 179.97 179.43 1dwz h GLU 221 N 0.46 0.00 -0.59 0.04 4.39 -1.11 -2.92 114.58 114.85 1dwz h GLU 221 Ca 0.12 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.74 1dwz h GLU 221 Cb -0.05 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1dwz h GLU 221 CO -0.03 0.71 0.02 0.77 -1.16 0.00 0.00 179.01 179.33 1dwz h SER 222 N 0.00 1.00 -0.34 1.42 0.02 -0.32 -1.42 113.55 113.91 1dwz h SER 222 Ca -0.01 -0.30 0.07 0.00 -0.84 0.00 0.00 61.79 60.72 1dwz h SER 222 Cb 1.30 -0.27 -0.08 0.00 0.14 0.00 0.00 62.40 63.49 1dwz h SER 222 CO 0.09 1.05 -0.20 1.56 -1.14 0.00 0.00 176.83 178.20 1dwz h GLN 223 N 0.92 -0.14 -0.28 3.45 1.08 -0.91 0.80 115.11 120.03 1dwz h GLN 223 Ca 0.17 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.42 1dwz h GLN 223 Cb 0.52 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.95 1dwz h GLN 223 CO 0.03 -0.10 0.03 0.00 -0.95 0.00 0.00 178.83 177.84 1dwz h ALA 224 N 1.06 0.27 -0.10 3.87 0.00 -1.30 0.25 119.26 123.30 1dwz h ALA 224 Ca 0.17 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1dwz h ALA 224 Cb 0.41 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1dwz h ALA 224 CO -0.43 -0.38 0.08 -0.92 0.00 0.00 0.00 179.25 177.60 1dwz h TYR 225 N 0.12 0.00 -0.01 0.00 5.03 -0.36 -2.82 116.97 118.93 1dwz h TYR 225 Ca 0.13 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.44 1dwz h TYR 225 Cb 0.15 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.43 1dwz h TYR 225 CO -0.19 0.00 -0.31 0.66 -1.32 0.00 0.00 178.16 177.00 1dwz n TYR 226 N -4.34 0.00 0.06 -3.82 4.01 0.19 -5.08 117.16 108.17 1dwz n TYR 226 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1dwz n TYR 226 Cb 0.19 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.25 1dwz n TYR 226 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44