#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 0.02 -1.02 -2.13 1.35 -1.98 -0.13 112.91 109.03 1rxr h THR 131 Ca 0.00 -0.01 0.27 0.00 -0.55 0.00 0.00 66.41 66.13 1rxr h THR 131 Cb 0.00 0.01 -0.13 0.00 -1.73 0.00 0.00 68.15 66.30 1rxr h THR 131 CO 0.00 0.00 0.61 0.11 -0.25 0.00 0.00 175.52 175.99 1rxr h LYS 132 N 0.02 0.47 -2.07 4.72 1.57 -2.03 -3.02 116.57 116.23 1rxr h LYS 132 Ca 0.66 -0.03 -0.55 0.00 -1.87 0.00 0.00 60.65 58.86 1rxr h LYS 132 Cb 1.48 -0.11 -0.40 0.00 0.08 0.00 0.00 32.23 33.28 1rxr h LYS 132 CO -0.88 0.31 -0.98 0.72 -0.57 0.00 0.00 179.45 178.06 1rxr n HIS 133 N -4.88 1.07 -2.38 -1.35 8.25 -0.07 -5.10 115.22 110.76 1rxr n HIS 133 Ca 0.28 -3.79 -0.33 0.00 -0.26 0.00 0.00 57.72 53.62 1rxr n HIS 133 Cb 0.84 -0.42 -0.02 0.00 1.12 0.00 0.00 29.99 31.50 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 -2.12 4.00 -0.06 1.59 -5.25 -1.14 -1.41 121.20 116.81 1rxr s ILE 134 Ca 0.39 1.09 -0.30 0.00 -0.99 0.00 0.00 60.65 60.84 1rxr s ILE 134 Cb 0.22 -3.49 -0.05 0.00 2.95 0.00 0.00 42.46 42.09 1rxr s ILE 134 CO -0.09 -0.42 1.55 0.00 -1.79 0.00 0.00 174.94 174.19 1rxr h ALA 136 N 8.99 1.13 0.16 0.00 0.00 -1.57 0.34 119.26 128.31 1rxr h ALA 136 Ca -0.37 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1rxr h ALA 136 Cb 1.17 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1rxr h ALA 136 CO 0.95 -0.34 -0.08 0.82 0.00 0.00 0.00 179.25 180.60 1rxr h ILE 137 N 0.31 0.96 0.00 0.00 2.04 -1.90 -3.40 117.51 115.52 1rxr h ILE 137 Ca 0.47 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1rxr h ILE 137 Cb 0.85 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1rxr h ILE 137 CO -0.53 0.21 0.00 0.00 0.00 0.00 0.00 178.15 177.83 1rxr n GLY 139 N 0.02 0.52 3.73 0.00 0.00 0.12 -4.42 105.19 105.17 1rxr n GLY 139 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.38 3.29 0.08 1.61 1.01 -1.26 -4.29 116.67 114.73 1rxr s ASP 140 Ca 0.00 1.23 -0.31 0.00 0.71 0.00 0.00 52.55 54.18 1rxr s ASP 140 Cb 0.00 -1.89 -0.09 0.00 1.01 0.00 0.00 42.92 41.95 1rxr s ASP 140 CO 0.00 -2.72 1.76 -0.60 0.21 0.00 0.00 175.17 173.82 1rxr s ARG 141 N -5.05 4.17 0.58 8.23 3.52 -1.26 0.18 118.95 129.31 1rxr s ARG 141 Ca 0.64 2.46 -0.19 0.00 -0.13 0.00 0.00 55.73 58.51 1rxr s ARG 141 Cb -0.17 -3.69 -0.04 0.00 -1.56 0.00 0.00 34.95 29.49 1rxr s ARG 141 CO 0.56 -0.81 1.19 -1.12 -0.81 0.00 0.00 175.30 174.31 1rxr s SER 142 N 2.84 5.30 0.04 -2.12 0.01 -0.50 -4.65 113.70 114.63 1rxr s SER 142 Ca 0.78 2.35 -0.07 0.00 1.31 0.00 0.00 55.95 60.32 1rxr s SER 142 Cb -0.42 -2.60 -0.30 0.00 0.21 0.00 0.00 66.02 62.91 1rxr s SER 142 CO 0.35 -1.51 1.03 0.28 0.41 0.00 0.00 173.24 173.79 1rxr h SER 143 N 0.96 0.53 0.00 2.44 0.02 -0.81 -3.47 113.55 113.22 1rxr h SER 143 Ca -0.50 -0.60 0.00 0.00 -0.84 0.00 0.00 61.79 59.84 1rxr h SER 143 Cb 1.29 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1rxr h SER 143 CO 0.55 1.48 0.00 0.61 -1.14 0.00 0.00 176.83 178.34 1rxr n GLY 144 N 1.62 -1.26 3.67 -3.77 0.00 -0.88 -5.02 105.19 99.55 1rxr n GLY 144 Ca -0.13 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 1rxr n GLY 144 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rxr s LYS 145 N -0.34 4.30 -0.04 1.61 2.20 -1.26 -1.04 119.74 125.16 1rxr s LYS 145 Ca 0.00 1.26 0.02 0.00 -0.36 0.00 0.00 55.97 56.89 1rxr s LYS 145 Cb 0.00 -3.60 0.01 0.00 -1.51 0.00 0.00 37.83 32.73 1rxr s LYS 145 CO 0.00 -0.47 -0.08 -1.01 -0.36 0.00 0.00 175.35 173.42 1rxr s HIS 146 N 2.62 1.03 -1.12 4.03 3.76 0.47 -4.78 115.29 121.30 1rxr s HIS 146 Ca 0.43 -0.32 -0.04 0.00 -0.15 0.00 0.00 55.06 54.99 1rxr s HIS 146 Cb -0.16 -0.79 0.03 0.00 1.11 0.00 0.00 32.58 32.76 1rxr s HIS 146 CO 0.11 -0.18 0.22 0.66 -0.85 0.00 0.00 174.74 174.70 1rxr n TYR 147 N 3.71 -1.62 -0.16 1.40 4.01 -1.26 -0.92 117.16 122.32 1rxr n TYR 147 Ca -0.22 0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1rxr n TYR 147 Cb 0.52 -2.84 0.00 0.00 -0.31 0.00 0.00 39.34 36.71 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 -0.97 1.11 3.05 2.72 0.00 -1.26 -0.78 105.19 109.05 1rxr n GLY 148 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.61 0.44 0.11 1.61 1.01 -0.10 -5.04 120.40 115.82 1rxr s VAL 149 Ca 0.00 -1.08 -0.31 0.00 0.00 0.00 0.00 61.98 60.59 1rxr s VAL 149 Cb 0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 36.38 35.71 1rxr s VAL 149 CO 0.00 -0.44 1.74 -0.31 0.00 0.00 0.00 175.10 176.09 1rxr s TYR 150 N -1.52 2.35 0.31 5.22 2.02 -1.26 -0.40 117.35 124.07 1rxr s TYR 150 Ca -0.10 0.17 -0.14 0.00 -0.37 0.00 0.00 57.07 56.63 1rxr s TYR 150 Cb -0.09 -4.08 0.02 0.00 -0.40 0.00 0.00 41.96 37.41 1rxr s TYR 150 CO -0.00 -4.36 0.62 0.45 -1.57 0.00 0.00 175.55 170.69 1rxr s SER 151 N 2.42 0.08 0.08 2.29 0.15 -0.21 -1.38 113.70 117.12 1rxr s SER 151 Ca 0.77 -1.01 0.04 0.00 0.70 0.00 0.00 55.95 56.45 1rxr s SER 151 Cb -0.44 0.71 -0.04 0.00 -1.71 0.00 0.00 66.02 64.54 1rxr s SER 151 CO 0.34 -1.37 0.02 0.00 1.20 0.00 0.00 173.24 173.43 1rxr h GLU 153 N 3.50 0.09 -0.13 0.00 -0.00 -1.95 0.11 114.58 116.20 1rxr h GLU 153 Ca -0.48 -0.01 0.02 0.00 -0.00 0.00 0.00 59.36 58.90 1rxr h GLU 153 Cb 1.17 -0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 29.88 1rxr h GLU 153 CO 0.61 0.06 0.02 0.78 -0.00 0.00 0.00 179.01 180.48 1rxr h GLY 154 N 0.10 0.14 1.02 1.06 0.00 -1.99 0.30 103.07 103.69 1rxr h GLY 154 Ca 0.60 -0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.87 1rxr h GLY 154 CO -0.78 -0.00 0.19 0.00 0.00 0.00 0.00 176.54 175.95 1rxr h LYS 156 N 0.90 -0.85 -0.30 0.00 3.64 -0.31 0.10 116.57 119.75 1rxr h LYS 156 Ca 0.20 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1rxr h LYS 156 Cb 0.30 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1rxr h LYS 156 CO -0.01 -0.56 0.19 0.78 -2.27 0.00 0.00 179.45 177.58 1rxr h GLY 157 N -0.88 0.44 0.32 5.01 0.00 -0.90 -0.56 103.07 106.49 1rxr h GLY 157 Ca -0.03 -0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.16 1rxr h GLY 157 CO -0.12 0.17 -0.27 -2.75 0.00 0.00 0.00 176.54 173.57 1rxr h PHE 158 N 0.40 -0.72 -0.34 5.60 3.57 -0.74 0.24 116.94 124.95 1rxr h PHE 158 Ca 0.11 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.65 1rxr h PHE 158 Cb -0.02 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1rxr h PHE 158 CO -0.05 -0.35 0.19 0.35 -2.23 0.00 0.00 178.31 176.22 1rxr h PHE 159 N -0.37 0.36 0.27 0.41 3.57 -0.59 0.12 116.94 120.69 1rxr h PHE 159 Ca 0.08 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1rxr h PHE 159 Cb 0.49 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 1rxr h PHE 159 CO -0.33 0.21 -0.48 -0.22 -2.23 0.00 0.00 178.31 175.25 1rxr h LYS 160 N 0.39 -0.79 -0.31 1.11 3.64 -0.59 0.69 116.57 120.72 1rxr h LYS 160 Ca 0.13 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 1rxr h LYS 160 Cb 0.01 0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 1rxr h LYS 160 CO -0.07 -0.52 -0.05 0.00 -2.27 0.00 0.00 179.45 176.54 1rxr h ARG 161 N -0.82 0.03 0.02 1.90 3.08 -0.77 0.08 114.38 117.91 1rxr h ARG 161 Ca -0.02 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.06 1rxr h ARG 161 Cb 0.78 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.76 1rxr h ARG 161 CO -0.19 0.02 -0.43 1.15 -1.07 0.00 0.00 179.97 179.46 1rxr h THR 162 N 0.04 0.14 -0.12 2.04 2.02 -0.44 -3.05 112.91 113.55 1rxr h THR 162 Ca 0.15 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 1rxr h THR 162 Cb 0.22 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1rxr h THR 162 CO -0.29 0.00 0.06 0.58 0.37 0.00 0.00 175.52 176.24 1rxr h VAL 163 N -0.59 1.10 -0.84 3.16 2.07 -0.54 0.45 116.25 121.05 1rxr h VAL 163 Ca 0.04 -0.27 0.17 0.00 0.82 0.00 0.00 66.70 67.46 1rxr h VAL 163 Cb 0.66 1.07 -0.16 0.00 -1.52 0.00 0.00 31.29 31.34 1rxr h VAL 163 CO -0.31 0.09 -0.22 0.03 0.02 0.00 0.00 177.57 177.18 1rxr h ARG 164 N 0.08 -0.00 0.00 1.57 2.47 -0.87 -1.27 114.38 116.36 1rxr h ARG 164 Ca 0.04 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.56 1rxr h ARG 164 Cb 0.08 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.37 1rxr h ARG 164 CO -0.01 -0.00 -1.79 1.63 0.56 0.00 0.00 179.97 180.36 1rxr n LYS 165 N -5.54 0.65 -1.94 0.04 4.01 -1.22 -5.02 118.16 109.14 1rxr n LYS 165 Ca 0.12 0.10 -0.04 0.00 -0.51 0.00 0.00 58.31 57.98 1rxr n LYS 165 Cb 0.42 -1.68 0.02 0.00 -0.51 0.00 0.00 35.03 33.28 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 -2.76 -3.02 -4.54 4.39 2.03 0.14 -4.94 116.55 107.86 1rxr n ASP 166 Ca -0.16 -0.17 -0.50 0.00 0.52 0.00 0.00 54.79 54.49 1rxr n ASP 166 Cb 0.90 -1.61 -0.06 0.00 -0.72 0.00 0.00 41.12 39.63 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 -1.89 2.59 -4.01 -2.67 7.99 -0.16 -4.86 117.00 113.98 1rxr n LEU 167 Ca -0.02 0.54 -0.42 0.00 -0.01 0.00 0.00 56.01 56.11 1rxr n LEU 167 Cb 0.53 -1.32 -0.01 0.00 -0.11 0.00 0.00 43.42 42.51 1rxr n LEU 167 CO 0.14 -0.57 2.34 0.35 -1.51 0.00 0.00 177.39 178.14 1rxr n THR 168 N 6.68 3.29 -1.70 -5.08 -2.24 -1.26 -4.95 114.28 109.02 1rxr n THR 168 Ca 0.35 -3.08 -0.29 0.00 -2.27 0.00 0.00 64.05 58.75 1rxr n THR 168 Cb 0.27 -2.47 0.16 0.00 -2.10 0.00 0.00 70.33 66.19 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 4.22 1.93 -0.26 4.78 2.02 -1.26 -5.10 117.35 123.69 1rxr s TYR 169 Ca 0.52 0.57 -0.08 0.00 -0.37 0.00 0.00 57.07 57.70 1rxr s TYR 169 Cb 0.10 -3.71 0.11 0.00 -0.40 0.00 0.00 41.96 38.07 1rxr s TYR 169 CO -0.00 -2.59 0.55 0.99 -1.57 0.00 0.00 175.55 172.93 1rxr s THR 170 N -3.54 -0.84 0.08 -0.71 2.01 -1.26 -4.82 115.64 106.56 1rxr s THR 170 Ca 0.69 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.46 1rxr s THR 170 Cb -0.09 -0.85 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 1rxr s THR 170 CO 0.53 0.03 1.07 0.00 -0.69 0.00 0.00 174.62 175.55 1rxr n ARG 172 N 3.34 3.45 0.00 0.00 5.12 -1.26 -4.19 116.66 123.11 1rxr n ARG 172 Ca 0.05 -2.21 0.00 0.00 -1.93 0.00 0.00 57.85 53.76 1rxr n ARG 172 Cb 0.48 -2.86 0.00 0.00 -1.16 0.00 0.00 32.46 28.92 1rxr n ARG 172 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1rxr n ASP 173 N 4.06 0.00 -3.93 0.55 8.00 -1.26 -4.93 116.55 119.04 1rxr n ASP 173 Ca 0.72 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 56.13 1rxr n ASP 173 Cb 0.25 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.26 1rxr n ASP 173 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1rxr s ASN 174 N 1.66 0.19 0.43 -2.24 0.02 -1.26 -5.03 114.94 108.70 1rxr s ASN 174 Ca 0.00 -0.54 0.22 0.00 -1.02 0.00 0.00 52.86 51.51 1rxr s ASN 174 Cb 0.00 0.22 1.19 0.00 0.02 0.00 0.00 41.25 42.68 1rxr s ASN 174 CO 0.00 -0.50 1.79 0.50 0.02 0.00 0.00 177.10 178.90 1rxr h LYS 175 N 3.68 0.31 -0.45 -0.60 3.64 -2.03 -0.44 116.57 120.68 1rxr h LYS 175 Ca -0.32 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1rxr h LYS 175 Cb 1.18 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1rxr h LYS 175 CO 0.50 0.20 0.00 -0.40 -2.27 0.00 0.00 179.45 177.49 1rxr n ASP 176 N -4.54 4.88 -4.68 4.20 5.75 -1.26 -4.87 116.55 116.03 1rxr n ASP 176 Ca 0.25 -2.91 -0.44 0.00 -0.01 0.00 0.00 54.79 51.68 1rxr n ASP 176 Cb 0.93 -0.61 -0.02 0.00 -1.03 0.00 0.00 41.12 40.39 1rxr n ASP 176 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1rxr s LEU 178 N -0.28 3.05 -0.49 0.00 1.43 -1.26 -4.83 118.68 116.29 1rxr s LEU 178 Ca 0.64 1.28 -0.17 0.00 -1.03 0.00 0.00 54.13 54.85 1rxr s LEU 178 Cb -0.62 -4.20 0.08 0.00 0.03 0.00 0.00 46.19 41.48 1rxr s LEU 178 CO 0.54 -1.14 0.48 -0.63 0.23 0.00 0.00 176.35 175.82 1rxr s ILE 179 N -3.26 5.13 0.76 -0.59 -1.09 -1.26 -5.06 121.20 115.82 1rxr s ILE 179 Ca 0.57 -0.96 -0.11 0.00 -2.23 0.00 0.00 60.65 57.92 1rxr s ILE 179 Cb -0.11 -4.20 0.05 0.00 -1.58 0.00 0.00 42.46 36.61 1rxr s ILE 179 CO 0.53 -0.68 1.08 -1.81 -1.23 0.00 0.00 174.94 172.83 1rxr s ASP 180 N 2.76 4.70 0.15 3.58 1.01 -1.26 -4.84 116.67 122.76 1rxr s ASP 180 Ca 0.07 1.72 -0.20 0.00 0.71 0.00 0.00 52.55 54.84 1rxr s ASP 180 Cb -0.24 -2.47 0.04 0.00 1.01 0.00 0.00 42.92 41.26 1rxr s ASP 180 CO 0.08 -1.89 1.66 0.11 0.21 0.00 0.00 175.17 175.33 1rxr h LYS 181 N -1.03 -0.12 -2.96 8.23 1.79 -1.98 -3.11 116.57 117.39 1rxr h LYS 181 Ca -0.44 0.01 -0.67 0.00 -2.18 0.00 0.00 60.65 57.36 1rxr h LYS 181 Cb 1.23 0.03 -0.38 0.00 -1.58 0.00 0.00 32.23 31.53 1rxr h LYS 181 CO 0.54 -0.08 -0.22 0.54 -1.08 0.00 0.00 179.45 179.15 1rxr n ARG 182 N -5.32 2.64 -1.20 3.15 5.12 -1.26 -4.99 116.66 114.80 1rxr n ARG 182 Ca -0.00 -4.54 -0.40 0.00 -1.93 0.00 0.00 57.85 50.98 1rxr n ARG 182 Cb 0.23 -2.36 -0.04 0.00 -1.16 0.00 0.00 32.46 29.13 1rxr n ARG 182 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1rxr n GLN 183 N 1.77 1.90 -1.01 5.56 0.00 -1.18 -4.86 117.38 119.56 1rxr n GLN 183 Ca 0.24 -1.93 -0.40 0.00 0.00 0.00 0.00 57.00 54.91 1rxr n GLN 183 Cb 0.37 -2.91 -0.06 0.00 0.00 0.00 0.00 30.24 27.64 1rxr n GLN 183 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 1rxr n ARG 184 N 6.32 1.41 -3.83 2.61 0.00 -1.26 -4.56 116.66 117.35 1rxr n ARG 184 Ca 0.50 -1.69 -0.07 0.00 -0.00 0.00 0.00 57.85 56.59 1rxr n ARG 184 Cb 0.36 -2.80 -0.00 0.00 -0.00 0.00 0.00 32.46 30.01 1rxr n ARG 184 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1rxr s ASN 185 N 4.97 -0.15 0.00 2.89 2.47 -1.26 -5.02 114.94 118.83 1rxr s ASN 185 Ca 0.55 -0.78 -0.03 0.00 0.42 0.00 0.00 52.86 53.02 1rxr s ASN 185 Cb 0.14 0.74 -0.13 0.00 -1.45 0.00 0.00 41.25 40.55 1rxr s ASN 185 CO 0.12 -1.42 2.49 0.54 -3.72 0.00 0.00 177.10 175.11 1rxr n ARG 186 N -0.50 1.31 -0.69 0.43 1.74 -1.26 -4.67 116.66 113.03 1rxr n ARG 186 Ca -0.06 -0.50 -0.06 0.00 -0.77 0.00 0.00 57.85 56.47 1rxr n ARG 186 Cb 0.59 -1.59 -0.08 0.00 -1.02 0.00 0.00 32.46 30.36 1rxr n ARG 186 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rxr h GLN 188 N 2.31 -0.03 -0.52 0.00 4.20 -1.89 -2.99 115.11 116.19 1rxr h GLN 188 Ca 0.09 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.90 1rxr h GLN 188 Cb 1.15 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.85 1rxr h GLN 188 CO 0.13 0.65 0.03 -0.92 -0.67 0.00 0.00 178.83 178.05 1rxr h TYR 189 N -0.74 0.02 -0.22 2.96 3.20 -1.86 0.19 116.97 120.51 1rxr h TYR 189 Ca -0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1rxr h TYR 189 Cb 0.69 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1rxr h TYR 189 CO 0.17 -0.10 0.14 0.00 -1.64 0.00 0.00 178.16 176.73 1rxr h ARG 191 N 0.29 0.31 0.14 0.00 3.08 -1.10 0.16 114.38 117.27 1rxr h ARG 191 Ca 0.08 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1rxr h ARG 191 Cb -0.02 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1rxr h ARG 191 CO -0.02 0.20 -0.07 -0.92 -1.07 0.00 0.00 179.97 178.10 1rxr h TYR 192 N 0.32 -0.18 -0.32 3.04 3.20 -0.66 -0.21 116.97 122.15 1rxr h TYR 192 Ca 0.19 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.12 1rxr h TYR 192 Cb 0.17 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.44 1rxr h TYR 192 CO -0.15 -0.08 -0.08 1.96 -1.64 0.00 0.00 178.16 178.17 1rxr h GLN 193 N -0.23 0.00 -0.02 1.82 4.20 -0.34 0.07 115.11 120.62 1rxr h GLN 193 Ca -0.02 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.72 1rxr h GLN 193 Cb 0.18 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 1rxr h GLN 193 CO 0.03 0.00 -0.18 0.87 -0.67 0.00 0.00 178.83 178.89 1rxr h LYS 194 N 0.00 -0.27 -0.22 1.46 6.56 -0.49 0.18 116.57 123.79 1rxr h LYS 194 Ca 0.15 0.02 0.06 0.00 -1.06 0.00 0.00 60.65 59.82 1rxr h LYS 194 Cb 0.23 0.06 -0.07 0.00 -0.57 0.00 0.00 32.23 31.89 1rxr h LYS 194 CO -0.33 -0.18 -0.24 0.00 -2.06 0.00 0.00 179.45 176.64 1rxr h ALA 195 N 0.66 -0.15 0.47 3.86 0.00 -0.49 0.34 119.26 123.95 1rxr h ALA 195 Ca 0.06 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1rxr h ALA 195 Cb 0.36 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1rxr h ALA 195 CO -0.18 -0.68 -0.22 -0.07 0.00 0.00 0.00 179.25 178.10 1rxr h LEU 196 N -0.26 -0.53 -0.71 0.00 3.38 -0.64 0.05 115.31 116.60 1rxr h LEU 196 Ca 0.13 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.25 1rxr h LEU 196 Cb 0.46 0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.25 1rxr h LEU 196 CO -0.37 -0.37 0.24 0.00 0.09 0.00 0.00 178.44 178.03 1rxr h ALA 197 N -0.10 0.95 0.00 1.53 0.00 -0.38 0.61 119.26 121.87 1rxr h ALA 197 Ca -0.06 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1rxr h ALA 197 Cb 0.49 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1rxr h ALA 197 CO 0.10 -0.25 0.00 -1.33 0.00 0.00 0.00 179.25 177.77 1rxr n MET 198 N -5.06 0.98 -1.18 0.00 2.81 0.09 -4.89 117.12 109.86 1rxr n MET 198 Ca 0.13 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 1rxr n MET 198 Cb 0.40 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 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 0.70 0.99 3.65 3.03 0.00 0.21 -4.98 105.19 108.79 1rxr n GLY 199 Ca 0.11 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1rxr n GLY 199 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rxr s MET 200 N -2.74 4.04 -1.14 1.61 1.00 -0.01 -4.81 119.30 117.23 1rxr s MET 200 Ca 0.00 2.18 -0.23 0.00 0.00 0.00 0.00 55.69 57.64 1rxr s MET 200 Cb 0.00 -4.06 -0.11 0.00 0.00 0.00 0.00 34.83 30.66 1rxr s MET 200 CO 0.00 -1.03 1.95 1.63 0.00 0.00 0.00 175.02 177.57 1rxr n LYS 201 N 7.42 1.44 -0.32 2.03 4.76 0.04 -4.73 118.16 128.80 1rxr n LYS 201 Ca 0.19 -2.35 0.28 0.00 -2.87 0.00 0.00 58.31 53.56 1rxr n LYS 201 Cb 0.43 -3.69 0.52 0.00 -1.84 0.00 0.00 35.03 30.45 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 8.17 -0.06 -0.24 1.97 0.63 -1.26 -0.30 116.66 125.57 1rxr n ARG 202 Ca 0.45 1.37 0.05 0.00 -0.92 0.00 0.00 57.85 58.80 1rxr n ARG 202 Cb 0.46 -2.40 0.17 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 0.24 -0.13 -0.14 3.07 -1.99 -1.27 114.58 114.35 1rxr h GLU 203 Ca 0.78 -0.01 0.04 0.00 -0.50 0.00 0.00 59.36 59.67 1rxr h GLU 203 Cb 2.00 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.85 1rxr h GLU 203 CO -0.79 0.16 0.15 0.00 -1.40 0.00 0.00 179.01 177.13 1rxr h ALA 204 N 1.60 1.72 -0.49 3.43 0.00 -1.06 -1.06 119.26 123.41 1rxr h ALA 204 Ca 0.40 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.39 1rxr h ALA 204 Cb 0.68 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1rxr h ALA 204 CO -0.51 -0.22 0.33 0.28 0.00 0.00 0.00 179.25 179.13 1rxr h VAL 205 N 0.00 0.90 0.00 0.00 2.07 -1.35 -0.25 116.25 117.62 1rxr h VAL 205 Ca 0.06 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1rxr h VAL 205 Cb 0.36 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1rxr h VAL 205 CO -0.00 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.64 1rxr n GLN 206 N -4.46 0.75 -0.22 1.57 6.02 -0.40 -4.00 117.38 116.64 1rxr n GLN 206 Ca 0.07 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.09 1rxr n GLN 206 Cb 0.35 -1.16 0.13 0.00 1.02 0.00 0.00 30.24 30.58 1rxr n GLN 206 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1rxr h GLU 207 N 0.00 0.25 0.09 -1.09 4.22 -1.22 -1.52 114.58 115.32 1rxr h GLU 207 Ca 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.42 1rxr h GLU 207 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1rxr h GLU 207 CO 0.00 0.16 -0.04 0.93 -2.18 0.00 0.00 179.01 177.88 1rxr h GLU 208 N 0.26 -0.12 -0.13 1.92 5.08 -1.83 -3.15 114.58 116.61 1rxr h GLU 208 Ca 0.35 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.75 1rxr h GLU 208 Cb 0.54 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1rxr h GLU 208 CO -0.45 0.18 0.42 0.00 -1.00 0.00 0.00 179.01 178.17 1rxr h ARG 209 N -0.42 0.00 -1.09 2.33 3.08 -1.57 -1.19 114.38 115.52 1rxr h ARG 209 Ca -0.01 0.00 0.30 0.00 0.07 0.00 0.00 59.98 60.34 1rxr h ARG 209 Cb 0.36 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.30 1rxr h ARG 209 CO 0.02 0.00 0.68 1.96 -1.07 0.00 0.00 179.97 181.56 1rxr h GLN 210 N 0.00 0.34 -3.68 0.04 4.20 -1.28 -2.44 115.11 112.29 1rxr h GLN 210 Ca 0.06 -0.02 -0.63 0.00 0.06 0.00 0.00 58.65 58.12 1rxr h GLN 210 Cb 0.90 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.62 1rxr h GLN 210 CO -0.00 0.22 3.13 0.54 -0.67 0.00 0.00 178.83 182.05 1rxr n ARG 211 N -4.73 2.75 -0.54 1.46 1.74 -0.45 -5.16 116.66 111.73 1rxr n ARG 211 Ca 0.29 -2.15 0.00 0.00 -0.77 0.00 0.00 57.85 55.21 1rxr n ARG 211 Cb 0.98 -2.93 0.00 0.00 -1.02 0.00 0.00 32.46 29.49 1rxr n ARG 211 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52