#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rxr h THR 131 N 0.00 0.00 -0.20 -2.13 1.35 -2.09 -3.26 112.91 106.59 1rxr h THR 131 Ca 0.00 -0.14 -0.63 0.00 -0.55 0.00 0.00 66.41 65.09 1rxr h THR 131 Cb 0.00 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.41 1rxr h THR 131 CO 0.00 0.00 2.41 0.29 -0.25 0.00 0.00 175.52 177.97 1rxr n LYS 132 N -5.53 2.24 -1.27 4.72 5.02 -1.26 -4.91 118.16 117.18 1rxr n LYS 132 Ca -0.15 -2.41 -0.59 0.00 -2.02 0.00 0.00 58.31 53.14 1rxr n LYS 132 Cb 0.46 -3.25 -0.11 0.00 -0.02 0.00 0.00 35.03 32.11 1rxr n LYS 132 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1rxr n HIS 133 N 8.10 1.19 -1.72 2.13 8.25 -1.23 -4.82 115.22 127.11 1rxr n HIS 133 Ca 0.50 0.79 -0.31 0.00 -0.26 0.00 0.00 57.72 58.44 1rxr n HIS 133 Cb 0.42 -2.23 0.04 0.00 1.12 0.00 0.00 29.99 29.34 1rxr n HIS 133 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1rxr s ILE 134 N 5.55 4.10 -0.29 1.59 -5.25 -1.26 -0.54 121.20 125.10 1rxr s ILE 134 Ca 1.15 0.68 -0.29 0.00 -0.99 0.00 0.00 60.65 61.21 1rxr s ILE 134 Cb -1.46 -3.55 0.01 0.00 2.95 0.00 0.00 42.46 40.41 1rxr s ILE 134 CO 0.66 -0.89 1.09 0.00 -1.79 0.00 0.00 174.94 174.01 1rxr h ALA 136 N 8.02 1.82 0.02 0.00 0.00 -1.41 0.16 119.26 127.88 1rxr h ALA 136 Ca -0.21 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rxr h ALA 136 Cb 1.06 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1rxr h ALA 136 CO 1.02 -0.60 -0.01 0.82 0.00 0.00 0.00 179.25 180.48 1rxr h ILE 137 N 0.25 0.55 -0.01 0.00 2.04 -1.92 -3.42 117.51 115.01 1rxr h ILE 137 Ca 0.71 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1rxr h ILE 137 Cb 1.62 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 1rxr h ILE 137 CO -0.65 0.18 -0.17 0.00 0.00 0.00 0.00 178.15 177.52 1rxr n GLY 139 N 0.83 0.47 3.78 0.00 0.00 0.57 -3.20 105.19 107.63 1rxr n GLY 139 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1rxr n GLY 139 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rxr s ASP 140 N -2.09 3.74 0.09 1.61 1.01 -1.26 -4.48 116.67 115.30 1rxr s ASP 140 Ca 0.00 1.09 -0.31 0.00 0.71 0.00 0.00 52.55 54.04 1rxr s ASP 140 Cb 0.00 -1.72 -0.09 0.00 1.01 0.00 0.00 42.92 42.13 1rxr s ASP 140 CO 0.00 -2.42 1.62 -0.60 0.21 0.00 0.00 175.17 173.98 1rxr s ARG 141 N -5.22 4.21 0.78 8.23 6.06 -1.26 0.46 118.95 132.21 1rxr s ARG 141 Ca 0.63 2.32 -0.12 0.00 -2.50 0.00 0.00 55.73 56.06 1rxr s ARG 141 Cb -0.15 -3.47 0.07 0.00 0.06 0.00 0.00 34.95 31.45 1rxr s ARG 141 CO 0.54 -0.69 1.13 -1.54 -2.50 0.00 0.00 175.30 172.24 1rxr s SER 142 N 2.03 4.16 -0.16 -2.12 1.04 0.29 -4.61 113.70 114.33 1rxr s SER 142 Ca 0.72 2.03 0.01 0.00 0.48 0.00 0.00 55.95 59.19 1rxr s SER 142 Cb -0.40 -2.55 -0.23 0.00 0.10 0.00 0.00 66.02 62.94 1rxr s SER 142 CO 0.32 -2.27 0.20 -1.20 0.98 0.00 0.00 173.24 171.27 1rxr n SER 143 N -3.39 1.72 -3.74 7.02 7.64 0.48 -4.83 113.62 118.52 1rxr n SER 143 Ca 0.11 0.11 0.02 0.00 1.01 0.00 0.00 58.87 60.12 1rxr n SER 143 Cb 0.52 -0.45 0.01 0.00 -1.01 0.00 0.00 64.21 63.28 1rxr n SER 143 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1rxr s GLY 144 N -5.79 -0.11 -1.34 0.23 0.00 -0.65 -5.00 107.32 94.67 1rxr s GLY 144 Ca -0.23 0.02 -0.13 0.00 0.00 0.00 0.00 44.72 44.39 1rxr s GLY 144 CO 0.73 4.78 2.38 1.17 0.00 0.00 0.00 173.10 182.17 1rxr n LYS 145 N -0.84 2.80 -2.48 2.90 4.81 -1.26 -0.89 118.16 123.20 1rxr n LYS 145 Ca 0.02 -2.23 -0.42 0.00 -0.87 0.00 0.00 58.31 54.81 1rxr n LYS 145 Cb 0.59 -2.99 -0.03 0.00 0.02 0.00 0.00 35.03 32.62 1rxr n LYS 145 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1rxr s HIS 146 N 3.20 3.51 -1.41 5.64 3.76 -0.15 -3.17 115.29 126.67 1rxr s HIS 146 Ca 0.54 1.45 -0.13 0.00 -0.15 0.00 0.00 55.06 56.77 1rxr s HIS 146 Cb 0.15 -3.34 0.11 0.00 1.11 0.00 0.00 32.58 30.60 1rxr s HIS 146 CO -0.04 -0.92 0.60 0.66 -0.85 0.00 0.00 174.74 174.19 1rxr n TYR 147 N 3.33 -1.79 -0.19 1.40 4.01 -1.26 -1.09 117.16 121.57 1rxr n TYR 147 Ca 0.06 0.59 0.00 0.00 -0.16 0.00 0.00 57.90 58.39 1rxr n TYR 147 Cb 0.47 -2.89 0.00 0.00 -0.31 0.00 0.00 39.34 36.61 1rxr n TYR 147 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rxr n GLY 148 N -1.24 1.24 3.06 2.72 0.00 -1.19 -0.75 105.19 109.04 1rxr n GLY 148 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 1rxr n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rxr s VAL 149 N -2.69 0.70 -0.11 1.61 1.01 -0.25 -5.01 120.40 115.65 1rxr s VAL 149 Ca 0.00 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 1rxr s VAL 149 Cb 0.00 -0.68 -0.08 0.00 0.00 0.00 0.00 36.38 35.63 1rxr s VAL 149 CO 0.00 -0.14 2.09 -1.22 0.00 0.00 0.00 175.10 175.84 1rxr n TYR 150 N 1.96 2.19 -3.73 5.22 4.01 -1.26 -0.98 117.16 124.57 1rxr n TYR 150 Ca -0.19 -0.19 -0.10 0.00 -0.16 0.00 0.00 57.90 57.27 1rxr n TYR 150 Cb 0.56 -2.74 -0.04 0.00 -0.31 0.00 0.00 39.34 36.81 1rxr n TYR 150 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1rxr s SER 151 N 6.33 -0.27 0.24 7.72 0.01 -0.06 -1.01 113.70 126.65 1rxr s SER 151 Ca 0.96 -0.47 -0.08 0.00 1.31 0.00 0.00 55.95 57.67 1rxr s SER 151 Cb -0.44 0.59 -0.07 0.00 0.21 0.00 0.00 66.02 66.31 1rxr s SER 151 CO 0.41 -1.06 0.54 0.00 0.41 0.00 0.00 173.24 173.53 1rxr h GLU 153 N 2.35 0.41 -0.51 0.00 5.08 -1.94 0.13 114.58 120.10 1rxr h GLU 153 Ca -0.47 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 57.94 1rxr h GLU 153 Cb 1.17 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.27 1rxr h GLU 153 CO 0.69 0.27 0.17 0.78 -1.00 0.00 0.00 179.01 179.92 1rxr h GLY 154 N 0.42 0.68 1.08 -3.84 0.00 -1.99 0.11 103.07 99.53 1rxr h GLY 154 Ca 0.57 -0.09 -0.11 0.00 0.00 0.00 0.00 47.33 47.70 1rxr h GLY 154 CO -0.52 -0.00 -0.12 0.00 0.00 0.00 0.00 176.54 175.89 1rxr h LYS 156 N 0.86 -0.89 -0.46 0.00 3.64 -0.31 0.13 116.57 119.54 1rxr h LYS 156 Ca 0.13 0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 1rxr h LYS 156 Cb 0.69 0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.66 1rxr h LYS 156 CO 0.05 -0.59 0.15 0.78 -2.27 0.00 0.00 179.45 177.57 1rxr h GLY 157 N -0.93 0.60 0.46 5.01 0.00 -0.77 0.86 103.07 108.30 1rxr h GLY 157 Ca -0.06 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.20 1rxr h GLY 157 CO -0.01 0.01 -0.36 -2.75 0.00 0.00 0.00 176.54 173.43 1rxr h PHE 158 N 0.32 -0.98 -0.37 5.60 3.57 -0.66 0.17 116.94 124.60 1rxr h PHE 158 Ca 0.22 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.79 1rxr h PHE 158 Cb 0.23 0.40 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 1rxr h PHE 158 CO -0.17 -0.47 0.11 0.35 -2.23 0.00 0.00 178.31 175.90 1rxr h PHE 159 N -0.64 0.18 0.31 0.41 3.57 -0.32 0.12 116.94 120.58 1rxr h PHE 159 Ca 0.01 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1rxr h PHE 159 Cb 0.63 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 1rxr h PHE 159 CO -0.28 0.06 -0.46 -0.22 -2.23 0.00 0.00 178.31 175.18 1rxr h LYS 160 N 0.24 -0.78 -0.50 1.11 3.64 -0.51 0.11 116.57 119.87 1rxr h LYS 160 Ca 0.17 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.69 1rxr h LYS 160 Cb 0.17 0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 32.10 1rxr h LYS 160 CO -0.20 -0.52 0.11 0.00 -2.27 0.00 0.00 179.45 176.57 1rxr h ARG 161 N -0.81 0.24 0.36 1.90 3.08 -0.74 0.19 114.38 118.59 1rxr h ARG 161 Ca -0.04 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1rxr h ARG 161 Cb 0.74 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 1rxr h ARG 161 CO -0.14 0.16 -0.47 1.15 -1.07 0.00 0.00 179.97 179.60 1rxr h THR 162 N 0.25 0.07 -0.26 2.04 2.02 -0.43 -3.06 112.91 113.54 1rxr h THR 162 Ca 0.25 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.45 1rxr h THR 162 Cb 0.33 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1rxr h THR 162 CO -0.32 0.00 0.13 0.58 0.37 0.00 0.00 175.52 176.28 1rxr h VAL 163 N -0.87 1.00 -0.74 3.16 2.07 -0.46 0.50 116.25 120.91 1rxr h VAL 163 Ca -0.03 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.50 1rxr h VAL 163 Cb 0.80 0.69 -0.12 0.00 -1.52 0.00 0.00 31.29 31.14 1rxr h VAL 163 CO -0.13 0.05 -0.41 0.03 0.02 0.00 0.00 177.57 177.13 1rxr h ARG 164 N 0.28 -0.13 0.00 1.57 2.47 -0.87 -2.31 114.38 115.40 1rxr h ARG 164 Ca 0.11 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.81 1rxr h ARG 164 Cb 0.02 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1rxr h ARG 164 CO -0.07 -0.08 -1.52 1.63 0.56 0.00 0.00 179.97 180.48 1rxr n LYS 165 N -5.42 0.63 -2.29 0.04 4.01 -1.20 -5.01 118.16 108.92 1rxr n LYS 165 Ca 0.05 -0.02 -0.07 0.00 -0.51 0.00 0.00 58.31 57.76 1rxr n LYS 165 Cb 0.36 -1.68 0.03 0.00 -0.51 0.00 0.00 35.03 33.23 1rxr n LYS 165 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1rxr n ASP 166 N -2.50 -3.95 -4.57 4.39 2.03 0.16 -4.92 116.55 107.19 1rxr n ASP 166 Ca -0.03 -0.31 -0.52 0.00 0.52 0.00 0.00 54.79 54.45 1rxr n ASP 166 Cb 0.60 -2.58 -0.06 0.00 -0.72 0.00 0.00 41.12 38.35 1rxr n ASP 166 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1rxr n LEU 167 N -2.27 2.56 -4.15 -2.67 7.99 -0.53 -4.86 117.00 113.06 1rxr n LEU 167 Ca -0.04 0.70 -0.41 0.00 -0.01 0.00 0.00 56.01 56.25 1rxr n LEU 167 Cb 0.55 -1.27 -0.01 0.00 -0.11 0.00 0.00 43.42 42.59 1rxr n LEU 167 CO 0.26 -0.49 2.24 0.35 -1.51 0.00 0.00 177.39 178.25 1rxr n THR 168 N 6.10 3.41 -1.73 -5.08 -2.24 -1.26 -4.96 114.28 108.52 1rxr n THR 168 Ca 0.33 -3.28 -0.30 0.00 -2.27 0.00 0.00 64.05 58.53 1rxr n THR 168 Cb 0.23 -2.44 0.18 0.00 -2.10 0.00 0.00 70.33 66.20 1rxr n THR 168 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1rxr s TYR 169 N 4.42 1.65 0.01 4.78 2.02 -1.26 -5.09 117.35 123.88 1rxr s TYR 169 Ca 0.53 0.46 -0.20 0.00 -0.37 0.00 0.00 57.07 57.48 1rxr s TYR 169 Cb 0.09 -3.85 0.04 0.00 -0.40 0.00 0.00 41.96 37.83 1rxr s TYR 169 CO 0.02 -2.74 0.45 0.99 -1.57 0.00 0.00 175.55 172.70 1rxr s THR 170 N -3.63 0.04 0.01 -0.71 2.01 -1.26 -4.78 115.64 107.31 1rxr s THR 170 Ca 0.71 -0.34 -0.08 0.00 0.31 0.00 0.00 61.69 62.28 1rxr s THR 170 Cb -0.07 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.59 1rxr s THR 170 CO 0.53 -0.19 0.17 0.00 -0.69 0.00 0.00 174.62 174.44 1rxr h ARG 172 N 4.06 1.11 -7.35 0.00 -0.00 -2.02 -3.43 114.38 106.75 1rxr h ARG 172 Ca -0.31 -0.28 -0.51 0.00 -0.50 0.00 0.00 59.98 58.38 1rxr h ARG 172 Cb 1.19 -0.14 0.07 0.00 0.00 0.00 0.00 29.97 31.09 1rxr h ARG 172 CO 0.42 1.00 0.40 -0.51 0.00 0.00 0.00 179.97 181.28 1rxr s ASP 173 N -6.45 5.93 0.97 7.04 1.01 -1.26 -5.08 116.67 118.83 1rxr s ASP 173 Ca -0.12 1.50 -0.16 0.00 0.71 0.00 0.00 52.55 54.48 1rxr s ASP 173 Cb 0.14 -2.48 0.20 0.00 1.01 0.00 0.00 42.92 41.79 1rxr s ASP 173 CO 0.85 -1.07 1.29 0.20 0.21 0.00 0.00 175.17 176.65 1rxr s ASN 174 N -4.01 3.01 0.43 0.27 0.02 -1.26 -4.92 114.94 108.48 1rxr s ASN 174 Ca 0.56 0.34 0.25 0.00 -1.02 0.00 0.00 52.86 52.99 1rxr s ASN 174 Cb -0.12 -0.43 1.28 0.00 0.02 0.00 0.00 41.25 42.00 1rxr s ASN 174 CO 0.54 -2.80 1.72 0.07 0.02 0.00 0.00 177.10 176.65 1rxr h LYS 175 N -1.69 0.22 -2.96 -0.60 2.10 -1.95 -2.95 116.57 108.75 1rxr h LYS 175 Ca -0.45 -0.01 -0.57 0.00 -2.00 0.00 0.00 60.65 57.63 1rxr h LYS 175 Cb 1.25 -0.05 0.02 0.00 -0.90 0.00 0.00 32.23 32.54 1rxr h LYS 175 CO 0.40 0.15 3.17 -0.25 -2.00 0.00 0.00 179.45 180.92 1rxr n ASP 176 N -4.57 7.72 -4.84 7.07 8.00 -1.26 -4.84 116.55 123.83 1rxr n ASP 176 Ca 0.30 -2.51 -0.27 0.00 0.71 0.00 0.00 54.79 53.02 1rxr n ASP 176 Cb 1.13 -1.46 -0.05 0.00 -0.02 0.00 0.00 41.12 40.73 1rxr n ASP 176 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rxr s LEU 178 N -3.06 3.98 -0.07 0.00 2.01 -1.26 -5.02 118.68 115.25 1rxr s LEU 178 Ca 0.32 1.18 0.02 0.00 0.01 0.00 0.00 54.13 55.66 1rxr s LEU 178 Cb -0.11 -3.54 -0.02 0.00 0.01 0.00 0.00 46.19 42.53 1rxr s LEU 178 CO 0.25 -0.85 -0.13 -0.63 1.01 0.00 0.00 176.35 176.00 1rxr s ILE 179 N 3.63 3.19 0.23 -0.59 -1.09 -1.26 -4.97 121.20 120.33 1rxr s ILE 179 Ca 0.47 -0.66 -0.06 0.00 -2.23 0.00 0.00 60.65 58.16 1rxr s ILE 179 Cb -0.14 -2.28 0.03 0.00 -1.58 0.00 0.00 42.46 38.49 1rxr s ILE 179 CO 0.14 0.58 0.41 0.47 -1.23 0.00 0.00 174.94 175.31 1rxr n ASP 180 N 2.57 -1.19 0.00 3.58 8.00 -1.26 -4.83 116.55 123.41 1rxr n ASP 180 Ca -0.17 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.34 1rxr n ASP 180 Cb 0.52 2.04 0.00 0.00 -0.02 0.00 0.00 41.12 43.66 1rxr n ASP 180 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1rxr n LYS 181 N -0.32 0.00 -0.32 -1.24 4.01 -1.20 -2.79 118.16 116.30 1rxr n LYS 181 Ca -0.04 0.73 0.06 0.00 -0.51 0.00 0.00 58.31 58.56 1rxr n LYS 181 Cb 0.35 -1.23 0.15 0.00 -0.51 0.00 0.00 35.03 33.79 1rxr n LYS 181 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1rxr h ARG 182 N 0.00 0.01 -0.95 1.97 2.47 -1.99 -0.26 114.38 115.64 1rxr h ARG 182 Ca 0.00 -0.00 0.27 0.00 -1.26 0.00 0.00 59.98 58.99 1rxr h ARG 182 Cb 0.00 -0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.28 1rxr h ARG 182 CO 0.00 0.01 0.70 1.96 0.56 0.00 0.00 179.97 183.20 1rxr h GLN 183 N 0.01 0.00 -0.19 0.04 7.50 -1.90 -0.73 115.11 119.84 1rxr h GLN 183 Ca 0.46 0.00 0.06 0.00 0.50 0.00 0.00 58.65 59.67 1rxr h GLN 183 Cb 0.76 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.28 1rxr h GLN 183 CO -0.92 0.00 0.44 0.07 -1.50 0.00 0.00 178.83 176.92 1rxr h ARG 184 N 0.00 0.00 0.00 1.46 -0.00 -1.10 0.17 114.38 114.90 1rxr h ARG 184 Ca 0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 60.40 1rxr h ARG 184 Cb 1.85 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.81 1rxr h ARG 184 CO -0.00 0.00 -0.16 -0.97 -0.00 0.00 0.00 179.97 178.83 1rxr h ASN 185 N 0.00 0.00 0.00 0.08 -1.24 -1.34 -3.40 115.58 109.68 1rxr h ASN 185 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.10 1rxr h ASN 185 Cb 0.97 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.02 1rxr h ASN 185 CO -0.00 0.16 0.00 -2.11 -1.29 0.00 0.00 177.43 174.19 1rxr n ARG 186 N -3.80 0.95 -0.92 6.67 -4.01 -0.55 -4.97 116.66 110.03 1rxr n ARG 186 Ca -0.02 0.00 -0.10 0.00 -1.04 0.00 0.00 57.85 56.69 1rxr n ARG 186 Cb 0.26 -0.08 -0.12 0.00 -3.04 0.00 0.00 32.46 29.48 1rxr n ARG 186 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1rxr h GLN 188 N 2.54 0.37 0.13 0.00 1.08 -1.84 -0.72 115.11 116.67 1rxr h GLN 188 Ca 0.16 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.34 1rxr h GLN 188 Cb 1.35 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 28.66 1rxr h GLN 188 CO 0.23 0.30 -0.46 -0.92 -0.95 0.00 0.00 178.83 177.03 1rxr h TYR 189 N 0.33 -1.32 -0.37 2.96 3.20 -1.80 0.84 116.97 120.82 1rxr h TYR 189 Ca 0.10 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.01 1rxr h TYR 189 Cb 0.03 0.56 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 1rxr h TYR 189 CO -0.04 -0.55 0.24 0.00 -1.64 0.00 0.00 178.16 176.16 1rxr h ARG 191 N 0.49 0.55 -0.12 0.00 3.08 -0.69 0.26 114.38 117.94 1rxr h ARG 191 Ca 0.14 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1rxr h ARG 191 Cb -0.04 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1rxr h ARG 191 CO -0.04 0.36 0.07 -0.92 -1.07 0.00 0.00 179.97 178.37 1rxr h TYR 192 N 0.56 0.16 -0.72 3.04 3.20 -0.24 0.12 116.97 123.11 1rxr h TYR 192 Ca 0.35 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.26 1rxr h TYR 192 Cb 0.38 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.55 1rxr h TYR 192 CO -0.12 0.16 0.43 1.96 -1.64 0.00 0.00 178.16 178.95 1rxr h GLN 193 N 0.11 0.79 -0.02 1.82 1.08 -0.08 -0.46 115.11 118.36 1rxr h GLN 193 Ca 0.04 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1rxr h GLN 193 Cb 0.05 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.30 1rxr h GLN 193 CO -0.01 0.52 0.01 0.87 -0.95 0.00 0.00 178.83 179.27 1rxr h LYS 194 N 0.81 0.02 -0.35 1.46 1.79 -0.20 0.21 116.57 120.31 1rxr h LYS 194 Ca 0.30 -0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.85 1rxr h LYS 194 Cb 0.11 -0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.68 1rxr h LYS 194 CO -0.15 0.07 -0.17 0.00 -1.08 0.00 0.00 179.45 178.12 1rxr h ALA 195 N 0.95 0.10 -0.21 3.86 0.00 -0.49 0.01 119.26 123.47 1rxr h ALA 195 Ca 0.01 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1rxr h ALA 195 Cb 0.05 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1rxr h ALA 195 CO -0.00 -0.55 0.11 -0.07 0.00 0.00 0.00 179.25 178.75 1rxr h LEU 196 N -0.11 0.27 -0.46 0.00 3.38 -0.86 -0.36 115.31 117.18 1rxr h LEU 196 Ca 0.18 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.13 1rxr h LEU 196 Cb 0.38 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 1rxr h LEU 196 CO -0.42 0.29 0.05 0.00 0.09 0.00 0.00 178.44 178.45 1rxr h ALA 197 N 0.99 0.47 0.00 1.53 0.00 0.19 0.11 119.26 122.56 1rxr h ALA 197 Ca 0.07 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1rxr h ALA 197 Cb 0.08 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1rxr h ALA 197 CO -0.01 -0.35 0.00 -1.33 0.00 0.00 0.00 179.25 177.56 1rxr n MET 198 N -5.16 0.70 -2.14 0.00 2.81 -0.08 -4.88 117.12 108.37 1rxr n MET 198 Ca 0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1rxr n MET 198 Cb 0.23 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 1rxr n MET 198 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rxr n GLY 199 N 0.40 0.80 3.68 3.03 0.00 0.39 -4.96 105.19 108.53 1rxr n GLY 199 Ca 0.17 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 1rxr n GLY 199 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1rxr n MET 200 N -0.65 2.71 -1.96 1.61 2.00 -0.16 -4.80 117.12 115.86 1rxr n MET 200 Ca 0.00 0.99 -0.26 0.00 0.00 0.00 0.00 57.70 58.43 1rxr n MET 200 Cb 0.46 -2.89 -0.07 0.00 0.00 0.00 0.00 33.22 30.72 1rxr n MET 200 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1rxr n LYS 201 N 6.16 1.32 -0.33 0.03 4.76 0.07 -4.77 118.16 125.41 1rxr n LYS 201 Ca 0.19 -2.32 0.24 0.00 -2.87 0.00 0.00 58.31 53.55 1rxr n LYS 201 Cb 0.37 -3.76 0.46 0.00 -1.84 0.00 0.00 35.03 30.25 1rxr n LYS 201 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1rxr n ARG 202 N 8.23 -0.07 -0.25 1.97 0.63 -1.26 -0.19 116.66 125.72 1rxr n ARG 202 Ca 0.44 1.41 0.05 0.00 -0.92 0.00 0.00 57.85 58.83 1rxr n ARG 202 Cb 0.47 -2.40 0.16 0.00 0.45 0.00 0.00 32.46 31.14 1rxr n ARG 202 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1rxr h GLU 203 N 0.00 0.13 -0.31 -0.14 3.07 -1.99 0.47 114.58 115.80 1rxr h GLU 203 Ca 0.73 -0.01 0.09 0.00 -0.50 0.00 0.00 59.36 59.68 1rxr h GLU 203 Cb 1.80 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.67 1rxr h GLU 203 CO -0.83 0.08 0.25 0.00 -1.40 0.00 0.00 179.01 177.12 1rxr h ALA 204 N 1.69 2.17 0.00 3.43 0.00 -0.97 0.16 119.26 125.73 1rxr h ALA 204 Ca 0.41 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 1rxr h ALA 204 Cb 0.73 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1rxr h ALA 204 CO -0.63 -0.41 -0.02 0.28 0.00 0.00 0.00 179.25 178.46 1rxr h VAL 205 N 0.00 0.82 0.00 0.00 2.07 -1.01 -0.45 116.25 117.68 1rxr h VAL 205 Ca 0.15 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1rxr h VAL 205 Cb 0.65 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1rxr h VAL 205 CO -0.00 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.61 1rxr n GLN 206 N -4.23 0.59 -0.30 1.57 6.02 0.04 -3.95 117.38 117.13 1rxr n GLN 206 Ca -0.03 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.08 1rxr n GLN 206 Cb 0.11 -1.40 0.28 0.00 1.02 0.00 0.00 30.24 30.24 1rxr n GLN 206 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 1rxr h GLU 207 N 0.00 0.19 0.20 -1.09 4.11 -1.24 -0.32 114.58 116.43 1rxr h GLU 207 Ca 0.00 -0.01 -0.31 0.00 0.07 0.00 0.00 59.36 59.11 1rxr h GLU 207 Cb 0.00 -0.04 0.03 0.00 0.50 0.00 0.00 28.75 29.23 1rxr h GLU 207 CO 0.00 0.13 -1.37 0.93 0.07 0.00 0.00 179.01 178.76 1rxr h GLU 208 N 0.20 0.48 -2.98 1.06 5.08 -1.84 -3.36 114.58 113.21 1rxr h GLU 208 Ca 0.54 -0.78 -0.68 0.00 -1.00 0.00 0.00 59.36 57.44 1rxr h GLU 208 Cb 1.08 0.29 0.02 0.00 0.50 0.00 0.00 28.75 30.63 1rxr h GLU 208 CO -0.66 1.37 3.76 0.54 -1.00 0.00 0.00 179.01 183.02 1rxr n ARG 209 N -3.68 3.77 -0.26 2.33 1.74 -0.14 -4.65 116.66 115.77 1rxr n ARG 209 Ca -0.14 -2.29 0.11 0.00 -0.77 0.00 0.00 57.85 54.76 1rxr n ARG 209 Cb 1.06 -2.79 0.37 0.00 -1.02 0.00 0.00 32.46 30.08 1rxr n ARG 209 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1rxr h GLN 210 N 4.98 0.70 -3.65 5.56 7.50 -1.72 -2.66 115.11 125.83 1rxr h GLN 210 Ca 0.86 -0.04 -0.57 0.00 0.50 0.00 0.00 58.65 59.40 1rxr h GLN 210 Cb 0.28 -0.16 0.02 0.00 0.05 0.00 0.00 27.48 27.67 1rxr h GLN 210 CO 1.77 0.46 2.98 0.54 -1.50 0.00 0.00 178.83 183.07 1rxr n ARG 211 N -4.54 2.53 -0.54 1.46 1.74 -1.26 -5.12 116.66 110.92 1rxr n ARG 211 Ca 0.16 -1.95 0.00 0.00 -0.77 0.00 0.00 57.85 55.29 1rxr n ARG 211 Cb 0.42 -2.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.06 1rxr n ARG 211 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52