#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whr s SER 127 N 0.00 3.27 -0.14 1.61 1.04 -1.26 -5.10 113.70 113.12 1whr s SER 127 Ca 0.00 -0.78 -0.11 0.00 0.48 0.00 0.00 55.95 55.54 1whr s SER 127 Cb 0.00 -1.33 0.04 0.00 0.10 0.00 0.00 66.02 64.84 1whr s SER 127 CO 0.00 -0.09 0.37 -0.94 0.98 0.00 0.00 173.24 173.56 1whr s SER 128 N 1.35 -0.41 0.86 7.02 1.04 -1.26 -5.17 113.70 117.14 1whr s SER 128 Ca 0.01 0.76 -0.12 0.00 0.48 0.00 0.00 55.95 57.08 1whr s SER 128 Cb -0.15 0.72 0.14 0.00 0.10 0.00 0.00 66.02 66.83 1whr s SER 128 CO -0.10 -0.15 1.21 -0.83 0.98 0.00 0.00 173.24 174.35 1whr s GLY 129 N 0.63 1.71 -0.07 7.32 0.00 -1.26 -5.08 107.32 110.58 1whr s GLY 129 Ca -0.04 -1.06 0.01 0.00 0.00 0.00 0.00 44.72 43.63 1whr s GLY 129 CO -0.04 -0.44 -0.08 -0.56 0.00 0.00 0.00 173.10 171.98 1whr s SER 130 N -4.74 4.55 0.17 1.64 0.01 -1.26 -5.12 113.70 108.95 1whr s SER 130 Ca 0.68 -0.06 0.11 0.00 1.31 0.00 0.00 55.95 57.99 1whr s SER 130 Cb -0.07 -1.14 -0.04 0.00 0.21 0.00 0.00 66.02 64.97 1whr s SER 130 CO 0.50 0.35 -0.21 -0.44 0.41 0.00 0.00 173.24 173.85 1whr s SER 131 N -0.75 3.60 -0.02 2.44 0.01 -1.26 -5.14 113.70 112.59 1whr s SER 131 Ca 0.11 -0.76 0.03 0.00 1.31 0.00 0.00 55.95 56.64 1whr s SER 131 Cb -0.11 -0.36 -0.00 0.00 0.21 0.00 0.00 66.02 65.76 1whr s SER 131 CO 0.01 0.14 -0.09 -0.83 0.41 0.00 0.00 173.24 172.88 1whr s GLY 132 N -2.51 0.46 0.68 3.44 0.00 -1.26 -5.15 107.32 102.98 1whr s GLY 132 Ca 0.20 -0.34 -0.11 0.00 0.00 0.00 0.00 44.72 44.47 1whr s GLY 132 CO 0.10 -0.19 1.06 -1.08 0.00 0.00 0.00 173.10 172.99 1whr s THR 133 N -0.00 4.07 -0.24 0.90 -1.32 -1.26 -5.09 115.64 112.70 1whr s THR 133 Ca 0.00 0.67 -0.20 0.00 -1.21 0.00 0.00 61.69 60.95 1whr s THR 133 Cb -0.06 -3.59 0.06 0.00 -1.51 0.00 0.00 72.50 67.40 1whr s THR 133 CO -0.00 -0.88 0.63 1.51 -2.21 0.00 0.00 174.62 173.67 1whr s ASP 134 N -4.13 -0.70 -1.39 8.08 1.47 -1.26 -4.95 116.67 113.80 1whr s ASP 134 Ca 0.57 1.29 -0.06 0.00 1.18 0.00 0.00 52.55 55.54 1whr s ASP 134 Cb -0.12 1.28 0.00 0.00 -0.34 0.00 0.00 42.92 43.74 1whr s ASP 134 CO 0.54 -0.22 0.40 -1.20 0.68 0.00 0.00 175.17 175.36 1whr n SER 135 N 3.09 -0.99 -3.89 2.11 7.64 -1.26 -4.96 113.62 115.36 1whr n SER 135 Ca -0.15 -1.09 -0.11 0.00 1.01 0.00 0.00 58.87 58.52 1whr n SER 135 Cb 0.56 -2.66 -0.11 0.00 -1.01 0.00 0.00 64.21 60.99 1whr n SER 135 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1whr s THR 136 N -3.95 0.07 -0.21 0.44 2.01 -1.26 -5.14 115.64 107.59 1whr s THR 136 Ca 0.10 -0.54 -0.05 0.00 0.31 0.00 0.00 61.69 61.52 1whr s THR 136 Cb -0.05 -0.29 0.07 0.00 0.01 0.00 0.00 72.50 72.24 1whr s THR 136 CO 0.92 -0.30 0.10 -0.83 -0.69 0.00 0.00 174.62 173.82 1whr s GLY 137 N -0.96 0.42 -1.15 4.40 0.00 -1.26 -5.06 107.32 103.70 1whr s GLY 137 Ca -0.11 -0.56 -0.22 0.00 0.00 0.00 0.00 44.72 43.84 1whr s GLY 137 CO 0.00 1.80 1.82 -0.42 0.00 0.00 0.00 173.10 176.31 1whr s ILE 138 N 2.11 3.74 -1.31 0.90 -1.09 -1.26 -4.31 121.20 119.97 1whr s ILE 138 Ca 0.04 -1.10 -0.17 0.00 -2.23 0.00 0.00 60.65 57.19 1whr s ILE 138 Cb -0.16 -4.72 0.17 0.00 -1.58 0.00 0.00 42.46 36.17 1whr s ILE 138 CO -0.17 -1.40 0.41 -0.90 -1.23 0.00 0.00 174.94 171.66 1whr n ASP 139 N 11.94 -1.30 0.02 3.58 5.68 -1.26 -4.78 116.55 130.44 1whr n ASP 139 Ca 0.44 -0.85 -0.05 0.00 -0.50 0.00 0.00 54.79 53.83 1whr n ASP 139 Cb 0.47 -1.14 -0.04 0.00 -1.14 0.00 0.00 41.12 39.27 1whr n ASP 139 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1whr h LEU 140 N -0.60 -0.14 -0.68 -2.12 3.38 -1.99 -3.08 115.31 110.07 1whr h LEU 140 Ca -0.41 -0.17 0.12 0.00 0.09 0.00 0.00 57.88 57.51 1whr h LEU 140 Cb 1.00 0.04 -0.13 0.00 0.09 0.00 0.00 40.66 41.66 1whr h LEU 140 CO 0.62 0.41 -0.32 -0.74 0.09 0.00 0.00 178.44 178.50 1whr h HIS 141 N -1.01 -0.86 -0.81 1.13 2.76 -1.92 0.32 115.15 114.76 1whr h HIS 141 Ca -0.02 0.08 0.11 0.00 -2.20 0.00 0.00 60.37 58.34 1whr h HIS 141 Cb 0.30 0.48 -0.08 0.00 1.55 0.00 0.00 27.41 29.66 1whr h HIS 141 CO 0.05 -0.38 0.44 1.05 -1.30 0.00 0.00 177.93 177.79 1whr h GLU 142 N -0.11 0.68 0.27 5.26 4.11 -1.96 0.40 114.58 123.23 1whr h GLU 142 Ca 0.27 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.65 1whr h GLU 142 Cb 0.56 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1whr h GLU 142 CO -0.74 0.45 -0.13 0.35 0.07 0.00 0.00 179.01 179.01 1whr h PHE 143 N 0.70 -0.33 -0.45 2.06 3.04 -0.44 0.22 116.94 121.73 1whr h PHE 143 Ca 0.41 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.43 1whr h PHE 143 Cb 0.47 0.11 -0.07 0.00 2.56 0.00 0.00 35.95 39.02 1whr h PHE 143 CO -0.08 -0.04 0.06 -0.07 -2.02 0.00 0.00 178.31 176.16 1whr h LEU 144 N -0.62 -0.07 -0.67 0.59 3.38 -0.21 0.46 115.31 118.18 1whr h LEU 144 Ca -0.04 0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1whr h LEU 144 Cb 0.44 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1whr h LEU 144 CO 0.06 -0.00 -0.20 0.58 0.09 0.00 0.00 178.44 178.97 1whr h VAL 145 N 0.18 1.27 0.03 1.22 2.07 -0.91 -1.67 116.25 118.44 1whr h VAL 145 Ca 0.23 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 1whr h VAL 145 Cb 0.31 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1whr h VAL 145 CO -0.32 0.44 -0.01 -1.13 0.02 0.00 0.00 177.57 176.57 1whr h ASN 146 N 0.73 -0.03 -0.34 0.57 -1.24 0.42 -2.19 115.58 113.49 1whr h ASN 146 Ca 0.10 -0.03 -0.07 0.00 0.71 0.00 0.00 56.30 57.01 1whr h ASN 146 Cb 0.72 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.75 1whr h ASN 146 CO 0.06 0.01 -0.03 0.74 -1.29 0.00 0.00 177.43 176.91 1whr h THR 147 N -0.07 1.24 -0.17 -3.57 2.02 -0.91 0.03 112.91 111.47 1whr h THR 147 Ca -0.00 -1.02 0.03 0.00 0.77 0.00 0.00 66.41 66.19 1whr h THR 147 Cb 0.06 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1whr h THR 147 CO 0.01 0.35 -0.01 -0.07 0.37 0.00 0.00 175.52 176.17 1whr h LEU 148 N 0.68 -0.08 0.04 2.58 3.38 -1.03 0.68 115.31 121.56 1whr h LEU 148 Ca 0.13 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1whr h LEU 148 Cb 0.47 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1whr h LEU 148 CO 0.02 -0.02 -0.02 0.11 0.09 0.00 0.00 178.44 178.63 1whr h LYS 149 N 0.05 -0.05 -0.82 1.13 1.57 -1.28 -3.18 116.57 113.99 1whr h LYS 149 Ca 0.08 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 59.06 1whr h LYS 149 Cb 0.10 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.31 1whr h LYS 149 CO -0.14 -0.03 0.28 0.87 -0.57 0.00 0.00 179.45 179.85 1whr h LYS 150 N -0.22 0.32 -3.33 3.15 1.79 -1.09 -3.07 116.57 114.13 1whr h LYS 150 Ca -0.01 -0.02 -0.70 0.00 -2.18 0.00 0.00 60.65 57.74 1whr h LYS 150 Cb 0.04 -0.07 -0.35 0.00 -1.58 0.00 0.00 32.23 30.26 1whr h LYS 150 CO 0.01 0.21 -0.12 1.21 -1.08 0.00 0.00 179.45 179.68 1whr s ASN 151 N -5.21 5.94 0.23 0.86 3.04 0.24 -4.88 114.94 115.16 1whr s ASN 151 Ca -0.12 -3.68 0.00 0.00 0.04 0.00 0.00 52.86 49.10 1whr s ASN 151 Cb 0.23 -1.90 0.25 0.00 -1.54 0.00 0.00 41.25 38.29 1whr s ASN 151 CO 0.77 -0.19 1.60 1.55 -3.04 0.00 0.00 177.10 177.78 1whr h PRO 152 N 6.06 0.47 -0.59 0.43 0.13 -1.51 -2.99 132.00 134.00 1whr h PRO 152 Ca 0.15 -0.25 0.17 0.00 -0.87 0.00 0.00 66.00 65.20 1whr h PRO 152 Cb 0.82 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 1whr h PRO 152 CO 0.84 0.82 0.53 0.07 -0.23 0.00 0.00 178.00 180.04 1whr h ARG 153 N 0.38 0.00 0.00 0.86 0.11 -1.90 0.80 114.38 114.64 1whr h ARG 153 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 1whr h ARG 153 Cb 0.93 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.01 1whr h ARG 153 CO 0.08 0.00 -0.78 0.22 0.10 0.00 0.00 179.97 179.59 1whr h ASP 154 N 0.00 0.00 -0.91 0.08 3.58 -1.86 -3.37 116.42 113.94 1whr h ASP 154 Ca 0.28 -0.07 0.30 0.00 0.42 0.00 0.00 57.03 57.96 1whr h ASP 154 Cb 1.34 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 42.22 1whr h ASP 154 CO -0.00 0.03 0.20 -1.14 -2.88 0.00 0.00 179.24 175.45 1whr n ARG 155 N -2.54 -0.07 0.43 0.28 3.00 0.28 -0.44 116.66 117.60 1whr n ARG 155 Ca 0.01 1.32 -0.17 0.00 -0.00 0.00 0.00 57.85 59.02 1whr n ARG 155 Cb 0.51 -2.20 -0.08 0.00 0.00 0.00 0.00 32.46 30.69 1whr n ARG 155 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.63 178.15 1whr h MET 156 N 0.00 -1.07 0.00 -0.14 2.86 -1.73 -1.73 114.93 113.13 1whr h MET 156 Ca 0.64 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 58.35 1whr h MET 156 Cb 1.49 0.24 0.00 0.00 0.06 0.00 0.00 31.60 33.39 1whr h MET 156 CO -0.80 -0.71 0.00 -0.12 1.06 0.00 0.00 176.91 176.34 1whr n MET 157 N -5.11 0.00 -0.38 1.72 0.00 0.41 -0.69 117.12 113.08 1whr n MET 157 Ca -0.14 0.74 -0.06 0.00 -0.00 0.00 0.00 57.70 58.24 1whr n MET 157 Cb 0.44 -1.44 -0.03 0.00 0.00 0.00 0.00 33.22 32.18 1whr n MET 157 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1whr n LEU 158 N -2.39 -0.82 -0.18 -0.89 4.77 -0.57 0.25 117.00 117.17 1whr n LEU 158 Ca 0.00 1.66 -0.02 0.00 -0.03 0.00 0.00 56.01 57.62 1whr n LEU 158 Cb 0.00 -0.29 0.05 0.00 -2.33 0.00 0.00 43.42 40.85 1whr n LEU 158 CO 0.00 -1.42 0.76 -0.07 -1.33 0.00 0.00 177.39 175.34 1whr h LEU 159 N 0.00 -0.49 0.29 2.23 3.38 -0.95 -1.03 115.31 118.75 1whr h LEU 159 Ca 0.23 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1whr h LEU 159 Cb 0.47 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1whr h LEU 159 CO -0.91 -0.17 -0.31 0.50 0.09 0.00 0.00 178.44 177.64 1whr h LYS 160 N 0.01 -0.62 -0.24 1.13 3.64 0.21 -2.19 116.57 118.51 1whr h LYS 160 Ca 0.26 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.73 1whr h LYS 160 Cb 0.40 0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.29 1whr h LYS 160 CO -0.55 -0.41 -0.51 -0.07 -2.27 0.00 0.00 179.45 175.64 1whr h LEU 161 N -0.64 -1.65 -0.78 5.20 3.38 -0.28 0.20 115.31 120.75 1whr h LEU 161 Ca -0.01 0.21 0.18 0.00 0.09 0.00 0.00 57.88 58.35 1whr h LEU 161 Cb 0.59 0.67 -0.14 0.00 0.09 0.00 0.00 40.66 41.87 1whr h LEU 161 CO -0.07 -0.44 -0.01 -0.08 0.09 0.00 0.00 178.44 177.92 1whr h GLU 162 N -0.49 0.08 0.32 1.13 4.22 -1.09 0.89 114.58 119.63 1whr h GLU 162 Ca 0.07 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.48 1whr h GLU 162 Cb 0.64 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1whr h GLU 162 CO -0.49 0.06 -0.15 0.37 -2.18 0.00 0.00 179.01 176.61 1whr h GLN 163 N 0.09 -0.41 -0.54 1.92 5.75 -0.53 -2.15 115.11 119.23 1whr h GLN 163 Ca 0.42 0.03 0.11 0.00 -0.15 0.00 0.00 58.65 59.06 1whr h GLN 163 Cb 0.74 0.09 -0.10 0.00 1.07 0.00 0.00 27.48 29.29 1whr h GLN 163 CO -0.70 -0.18 -0.06 0.93 -2.65 0.00 0.00 178.83 176.17 1whr h GLU 164 N -0.57 0.06 -0.40 1.69 4.39 0.66 -1.07 114.58 119.35 1whr h GLU 164 Ca -0.04 -0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.70 1whr h GLU 164 Cb 0.42 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 1whr h GLU 164 CO 0.07 0.04 0.15 0.82 -1.16 0.00 0.00 179.01 178.93 1whr h ILE 165 N 0.06 0.89 -0.12 3.13 2.04 -0.80 -2.21 117.51 120.50 1whr h ILE 165 Ca 0.27 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 66.07 1whr h ILE 165 Cb 0.42 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 1whr h ILE 165 CO -0.51 0.06 -0.40 -0.07 0.00 0.00 0.00 178.15 177.23 1whr h LEU 166 N 0.31 -1.26 -0.72 1.44 3.38 -0.53 0.11 115.31 118.04 1whr h LEU 166 Ca 0.18 0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.44 1whr h LEU 166 Cb 0.15 0.51 -0.09 0.00 0.09 0.00 0.00 40.66 41.33 1whr h LEU 166 CO -0.18 -0.42 0.30 -0.33 0.09 0.00 0.00 178.44 177.90 1whr h GLU 167 N -0.49 0.46 -0.26 1.13 4.39 -1.17 -1.42 114.58 117.23 1whr h GLU 167 Ca 0.08 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1whr h GLU 167 Cb 0.62 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1whr h GLU 167 CO -0.38 0.30 0.16 0.35 -1.16 0.00 0.00 179.01 178.28 1whr h PHE 168 N 0.47 0.33 -0.67 4.33 3.57 -0.64 -2.26 116.94 122.07 1whr h PHE 168 Ca 0.38 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.99 1whr h PHE 168 Cb 0.54 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.09 1whr h PHE 168 CO -0.16 0.23 0.30 0.82 -2.23 0.00 0.00 178.31 177.27 1whr h ILE 169 N 0.33 0.80 -0.12 1.41 2.04 0.20 -2.15 117.51 120.03 1whr h ILE 169 Ca 0.09 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1whr h ILE 169 Cb -0.01 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1whr h ILE 169 CO -0.02 0.09 0.07 -1.13 0.00 0.00 0.00 178.15 177.17 1whr h ASN 170 N 0.51 0.13 -1.98 1.72 -0.73 -1.05 -3.41 115.58 110.75 1whr h ASN 170 Ca 0.34 -0.00 -0.60 0.00 1.87 0.00 0.00 56.30 57.90 1whr h ASN 170 Cb 0.39 -0.03 0.01 0.00 0.27 0.00 0.00 38.32 38.96 1whr h ASN 170 CO -0.29 0.09 1.23 -0.67 -0.37 0.00 0.00 177.43 177.41 1whr n ASP 171 N -5.01 3.42 0.05 1.15 2.03 -0.81 -4.84 116.55 112.54 1whr n ASP 171 Ca -0.05 0.78 0.06 0.00 0.52 0.00 0.00 54.79 56.10 1whr n ASP 171 Cb 0.03 -1.42 -0.06 0.00 -0.72 0.00 0.00 41.12 38.95 1whr n ASP 171 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1whr n ASN 172 N 7.98 0.69 -0.05 1.67 4.13 -1.26 -4.26 115.26 124.16 1whr n ASN 172 Ca 0.25 0.29 -0.08 0.00 1.68 0.00 0.00 54.58 56.72 1whr n ASN 172 Cb 0.33 0.58 -0.01 0.00 -1.54 0.00 0.00 39.78 39.14 1whr n ASN 172 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 1whr h ASN 173 N 0.00 -0.42 -3.48 6.41 4.21 -1.95 -3.39 115.58 116.96 1whr h ASN 173 Ca -0.09 0.10 -0.63 0.00 1.21 0.00 0.00 56.30 56.89 1whr h ASN 173 Cb 1.29 0.23 -0.18 0.00 -1.12 0.00 0.00 38.32 38.53 1whr h ASN 173 CO 0.02 -0.16 -0.58 0.20 -1.29 0.00 0.00 177.43 175.61 1whr s ASN 174 N -5.13 5.47 -0.63 5.81 -0.87 -1.26 -4.99 114.94 113.34 1whr s ASN 174 Ca -0.14 -0.03 -0.00 0.00 -1.57 0.00 0.00 52.86 51.11 1whr s ASN 174 Cb 0.12 -1.96 0.43 0.00 -0.02 0.00 0.00 41.25 39.82 1whr s ASN 174 CO 0.69 0.08 1.86 1.67 -2.57 0.00 0.00 177.10 178.83 1whr n GLN 175 N 4.16 2.88 -3.56 -0.60 7.27 -1.26 -4.90 117.38 121.38 1whr n GLN 175 Ca -0.16 -3.52 -0.10 0.00 0.07 0.00 0.00 57.00 53.28 1whr n GLN 175 Cb 0.52 -2.28 -0.04 0.00 2.41 0.00 0.00 30.24 30.84 1whr n GLN 175 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 1whr s PHE 176 N -3.82 -0.37 -0.02 3.69 0.08 -1.26 -4.41 117.98 111.87 1whr s PHE 176 Ca 0.60 0.56 0.01 0.00 0.12 0.00 0.00 56.93 58.21 1whr s PHE 176 Cb 0.48 0.47 0.02 0.00 -0.57 0.00 0.00 43.02 43.41 1whr s PHE 176 CO -0.08 -0.39 -0.01 0.21 -0.10 0.00 0.00 175.22 174.86 1whr s LYS 177 N -1.54 0.24 -0.01 0.44 2.47 -0.16 -4.99 119.74 116.19 1whr s LYS 177 Ca -0.01 0.02 0.07 0.00 -1.56 0.00 0.00 55.97 54.50 1whr s LYS 177 Cb -0.01 -0.36 -0.02 0.00 -1.46 0.00 0.00 37.83 35.98 1whr s LYS 177 CO -0.00 -0.07 -0.21 0.21 0.16 0.00 0.00 175.35 175.43 1whr s LYS 178 N 0.64 1.69 0.21 4.03 2.20 -1.26 -0.73 119.74 126.52 1whr s LYS 178 Ca -0.06 -0.80 0.10 0.00 -0.36 0.00 0.00 55.97 54.85 1whr s LYS 178 Cb -0.09 -1.67 -0.04 0.00 -1.51 0.00 0.00 37.83 34.52 1whr s LYS 178 CO -0.01 0.45 -0.11 -0.06 -0.36 0.00 0.00 175.35 175.26 1whr s PHE 179 N -0.55 2.56 0.75 4.03 0.08 -1.11 -5.04 117.98 118.70 1whr s PHE 179 Ca 0.08 -0.25 -0.11 0.00 0.12 0.00 0.00 56.93 56.77 1whr s PHE 179 Cb -0.08 -1.21 0.05 0.00 -0.57 0.00 0.00 43.02 41.20 1whr s PHE 179 CO -0.00 0.56 1.09 -1.25 -0.10 0.00 0.00 175.22 175.52 1whr s PRO 180 N -3.09 2.35 -0.14 0.24 0.04 -1.26 -4.31 135.00 128.83 1whr s PRO 180 Ca 0.26 1.21 -0.40 0.00 0.04 0.00 0.00 61.00 62.11 1whr s PRO 180 Cb -0.08 -1.91 -0.17 0.00 0.04 0.00 0.00 34.50 32.38 1whr s PRO 180 CO 0.16 -1.58 1.47 1.04 0.04 0.00 0.00 177.00 178.13 1whr n GLN 181 N -3.33 0.78 -4.45 4.56 6.02 -1.26 -4.80 117.38 114.89 1whr n GLN 181 Ca 0.09 0.28 -0.25 0.00 -0.01 0.00 0.00 57.00 57.11 1whr n GLN 181 Cb 0.53 -1.89 -0.11 0.00 1.02 0.00 0.00 30.24 29.79 1whr n GLN 181 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1whr s MET 182 N 1.81 1.62 0.85 -1.09 -1.94 -1.26 -5.12 119.30 114.16 1whr s MET 182 Ca 0.93 -1.67 -0.12 0.00 -1.71 0.00 0.00 55.69 53.12 1whr s MET 182 Cb -1.13 -1.80 0.12 0.00 2.01 0.00 0.00 34.83 34.03 1whr s MET 182 CO 0.60 0.36 1.20 0.95 -0.01 0.00 0.00 175.02 178.12 1whr s THR 183 N -2.17 2.04 0.17 2.05 -4.23 -1.26 -4.74 115.64 107.51 1whr s THR 183 Ca 0.26 -0.07 -0.17 0.00 -1.18 0.00 0.00 61.69 60.54 1whr s THR 183 Cb -0.06 -2.98 0.11 0.00 1.34 0.00 0.00 72.50 70.91 1whr s THR 183 CO 0.13 0.00 1.66 0.28 -0.54 0.00 0.00 174.62 176.15 1whr h SER 184 N -1.18 -0.42 0.32 3.99 0.02 -2.01 0.15 113.55 114.43 1whr h SER 184 Ca -0.45 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1whr h SER 184 Cb 1.29 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 64.09 1whr h SER 184 CO 0.54 -0.15 -0.34 0.22 -1.14 0.00 0.00 176.83 175.97 1whr h TYR 185 N -0.01 -0.94 -0.52 3.45 3.20 -2.01 -2.86 116.97 117.28 1whr h TYR 185 Ca 0.20 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.18 1whr h TYR 185 Cb 0.32 0.37 -0.10 0.00 1.54 0.00 0.00 36.73 38.86 1whr h TYR 185 CO -0.38 -0.44 -0.13 0.45 -1.64 0.00 0.00 178.16 176.01 1whr h HIS 186 N -0.66 -0.29 -0.91 -3.82 3.86 -1.87 -1.41 115.15 110.05 1whr h HIS 186 Ca -0.04 0.05 0.17 0.00 -1.16 0.00 0.00 60.37 59.38 1whr h HIS 186 Cb 0.58 0.21 -0.16 0.00 1.06 0.00 0.00 27.41 29.09 1whr h HIS 186 CO -0.20 -0.23 -0.27 -2.13 0.86 0.00 0.00 177.93 175.96 1whr n ARG 187 N -5.37 -0.13 0.15 2.45 0.63 0.49 -0.56 116.66 114.34 1whr n ARG 187 Ca 0.05 1.41 -0.13 0.00 -0.92 0.00 0.00 57.85 58.25 1whr n ARG 187 Cb 0.28 -2.10 -0.08 0.00 0.45 0.00 0.00 32.46 31.01 1whr n ARG 187 CO 0.00 0.00 0.00 1.98 -2.51 0.00 0.00 177.63 177.10 1whr h MET 188 N 0.00 -0.39 -0.87 -0.14 4.05 -1.11 -2.21 114.93 114.26 1whr h MET 188 Ca 0.40 0.03 0.12 0.00 -0.28 0.00 0.00 59.70 59.96 1whr h MET 188 Cb 0.62 0.09 -0.13 0.00 -0.80 0.00 0.00 31.60 31.38 1whr h MET 188 CO -0.92 -0.08 -0.46 -0.07 0.23 0.00 0.00 176.91 175.62 1whr h LEU 189 N -0.74 -1.65 0.67 3.39 3.38 -0.29 0.12 115.31 120.19 1whr h LEU 189 Ca -0.04 0.30 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 1whr h LEU 189 Cb 0.50 0.79 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1whr h LEU 189 CO 0.07 -0.29 -0.39 0.25 0.09 0.00 0.00 178.44 178.17 1whr h LEU 190 N -0.07 -0.97 -1.49 1.67 5.85 -1.07 -2.17 115.31 117.06 1whr h LEU 190 Ca 0.25 0.05 0.38 0.00 0.84 0.00 0.00 57.88 59.40 1whr h LEU 190 Cb 0.54 0.28 -0.11 0.00 0.37 0.00 0.00 40.66 41.74 1whr h LEU 190 CO -0.88 -0.62 0.83 0.45 -0.34 0.00 0.00 178.44 177.87 1whr h HIS 191 N -0.99 0.48 0.25 1.25 3.86 -0.58 0.12 115.15 119.54 1whr h HIS 191 Ca -0.09 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 1whr h HIS 191 Cb 0.79 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1whr h HIS 191 CO -0.08 -0.09 -0.12 0.00 0.86 0.00 0.00 177.93 178.50 1whr h ARG 192 N 0.17 -0.32 0.09 2.45 2.47 -0.22 -1.84 114.38 117.17 1whr h ARG 192 Ca 0.73 0.02 0.02 0.00 -1.26 0.00 0.00 59.98 59.49 1whr h ARG 192 Cb 2.27 0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 30.62 1whr h ARG 192 CO -0.31 0.02 -0.30 0.28 0.56 0.00 0.00 179.97 180.22 1whr h VAL 193 N -0.75 0.34 -0.33 2.04 2.07 -0.26 -0.51 116.25 118.86 1whr h VAL 193 Ca -0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1whr h VAL 193 Cb 0.50 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 1whr h VAL 193 CO 0.06 0.00 -0.08 0.00 0.02 0.00 0.00 177.57 177.57 1whr h ALA 194 N 0.19 0.22 -0.78 1.67 0.00 -1.28 -0.70 119.26 118.59 1whr h ALA 194 Ca 0.04 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.16 1whr h ALA 194 Cb 0.55 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1whr h ALA 194 CO -0.20 -0.46 0.51 0.00 0.00 0.00 0.00 179.25 179.10 1whr h ALA 195 N 1.32 1.75 -0.14 0.00 0.00 -0.95 0.21 119.26 121.46 1whr h ALA 195 Ca 0.16 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1whr h ALA 195 Cb 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1whr h ALA 195 CO -0.33 0.09 -0.41 -0.92 0.00 0.00 0.00 179.25 177.68 1whr h TYR 196 N 0.73 0.36 -0.41 0.00 3.20 0.32 -2.67 116.97 118.51 1whr h TYR 196 Ca 0.35 -0.10 -0.13 0.00 3.14 0.00 0.00 58.73 62.00 1whr h TYR 196 Cb 0.41 -0.08 -0.08 0.00 1.54 0.00 0.00 36.73 38.53 1whr h TYR 196 CO -0.00 0.67 0.16 1.19 -1.64 0.00 0.00 178.16 178.54 1whr n PHE 197 N -4.03 1.34 -3.66 -3.82 3.01 -0.26 -4.86 117.46 105.17 1whr n PHE 197 Ca -0.01 -0.77 -0.27 0.00 1.01 0.00 0.00 57.45 57.41 1whr n PHE 197 Cb 0.49 -0.46 0.04 0.00 -0.01 0.00 0.00 39.48 39.54 1whr n PHE 197 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1whr n GLY 198 N 0.00 -0.52 3.74 1.37 0.00 -1.00 -3.93 105.19 104.85 1whr n GLY 198 Ca 0.22 0.20 -0.31 0.00 0.00 0.00 0.00 46.02 46.14 1whr n GLY 198 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1whr s MET 199 N -6.37 2.83 -0.29 1.61 -1.94 0.57 -3.38 119.30 112.34 1whr s MET 199 Ca 0.58 -0.67 -0.05 0.00 -1.71 0.00 0.00 55.69 53.85 1whr s MET 199 Cb -0.28 -2.70 0.02 0.00 2.01 0.00 0.00 34.83 33.88 1whr s MET 199 CO 0.72 0.59 0.04 0.34 -0.01 0.00 0.00 175.02 176.69 1whr s ASP 200 N -2.10 4.91 0.25 3.03 2.15 -1.26 -3.95 116.67 119.71 1whr s ASP 200 Ca 0.26 -0.89 -0.09 0.00 0.43 0.00 0.00 52.55 52.26 1whr s ASP 200 Cb -0.12 -1.80 -0.07 0.00 -0.30 0.00 0.00 42.92 40.63 1whr s ASP 200 CO 0.18 -0.20 0.57 -1.38 -0.17 0.00 0.00 175.17 174.16 1whr s HIS 201 N 1.41 3.43 0.05 -5.34 -3.43 -1.26 -3.60 115.29 106.55 1whr s HIS 201 Ca 0.00 0.85 -0.01 0.00 -0.80 0.00 0.00 55.06 55.11 1whr s HIS 201 Cb -0.18 -2.25 -0.04 0.00 -1.43 0.00 0.00 32.58 28.69 1whr s HIS 201 CO 0.00 0.23 -0.03 -0.80 -2.00 0.00 0.00 174.74 172.14 1whr s ASN 202 N -2.52 0.46 0.16 7.38 0.02 0.39 -5.01 114.94 115.83 1whr s ASN 202 Ca 0.47 -0.89 0.04 0.00 -1.02 0.00 0.00 52.86 51.46 1whr s ASN 202 Cb -0.11 0.17 -0.04 0.00 0.02 0.00 0.00 41.25 41.30 1whr s ASN 202 CO 0.23 -0.53 0.22 0.68 0.02 0.00 0.00 177.10 177.72 1whr s VAL 203 N -3.36 4.94 0.82 1.60 -7.23 -1.26 -2.09 120.40 113.82 1whr s VAL 203 Ca 0.02 -0.88 -0.12 0.00 -1.81 0.00 0.00 61.98 59.19 1whr s VAL 203 Cb 0.04 -3.55 0.10 0.00 0.56 0.00 0.00 36.38 33.53 1whr s VAL 203 CO -0.08 -0.11 1.18 -0.62 -0.31 0.00 0.00 175.10 175.16 1whr s ASP 204 N -3.22 4.30 0.25 4.85 2.15 -1.25 -4.80 116.67 118.97 1whr s ASP 204 Ca 0.33 0.62 0.11 0.00 0.43 0.00 0.00 52.55 54.05 1whr s ASP 204 Cb -0.10 -1.06 0.86 0.00 -0.30 0.00 0.00 42.92 42.31 1whr s ASP 204 CO 0.26 -2.01 1.13 0.00 -0.17 0.00 0.00 175.17 174.38 1whr n GLN 205 N -3.33 -0.05 0.00 4.34 6.02 -1.26 -0.44 117.38 122.66 1whr n GLN 205 Ca 0.09 1.01 0.00 0.00 -0.01 0.00 0.00 57.00 58.09 1whr n GLN 205 Cb 0.61 -1.76 0.00 0.00 1.02 0.00 0.00 30.24 30.11 1whr n GLN 205 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1whr n THR 206 N -4.71 0.00 -0.56 5.09 -2.24 -1.26 -5.01 114.28 105.58 1whr n THR 206 Ca 0.24 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1whr n THR 206 Cb 0.83 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 70.06 1whr n THR 206 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1whr n GLY 207 N 0.83 0.65 0.31 3.38 0.00 0.42 -4.93 105.19 105.85 1whr n GLY 207 Ca 0.00 -0.62 0.13 0.00 0.00 0.00 0.00 46.02 45.53 1whr n GLY 207 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1whr h LYS 208 N 0.02 0.00 -2.55 1.61 2.10 -1.95 -3.42 116.57 112.37 1whr h LYS 208 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1whr h LYS 208 Cb 0.00 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 31.18 1whr h LYS 208 CO 0.00 0.00 0.28 0.00 -2.00 0.00 0.00 179.45 177.73 1whr s ALA 209 N -3.97 -1.70 -0.17 0.07 0.00 -1.26 -4.69 121.76 110.04 1whr s ALA 209 Ca -0.03 0.84 -0.17 0.00 0.00 0.00 0.00 51.96 52.60 1whr s ALA 209 Cb 0.07 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 1whr s ALA 209 CO 0.23 -0.63 0.44 0.08 0.00 0.00 0.00 175.76 175.88 1whr s VAL 210 N -2.88 5.18 0.06 0.00 1.01 -1.26 -3.75 120.40 118.76 1whr s VAL 210 Ca -0.01 0.83 0.10 0.00 0.00 0.00 0.00 61.98 62.90 1whr s VAL 210 Cb -0.01 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1whr s VAL 210 CO -0.06 0.27 -0.26 -0.63 0.00 0.00 0.00 175.10 174.42 1whr s ILE 211 N 1.11 2.22 0.24 2.22 1.01 -0.89 -2.75 121.20 124.37 1whr s ILE 211 Ca 0.22 -1.46 0.01 0.00 0.00 0.00 0.00 60.65 59.42 1whr s ILE 211 Cb -0.15 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 1whr s ILE 211 CO 0.09 0.30 0.09 0.27 0.00 0.00 0.00 174.94 175.69 1whr s ILE 212 N -0.87 0.49 0.21 2.92 -4.36 0.09 -0.46 121.20 119.22 1whr s ILE 212 Ca 0.13 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.48 1whr s ILE 212 Cb -0.10 -2.56 -0.03 0.00 1.25 0.00 0.00 42.46 41.01 1whr s ILE 212 CO 0.03 -0.05 0.23 0.54 0.24 0.00 0.00 174.94 175.93 1whr s ASN 213 N -3.28 0.08 -0.17 4.36 2.20 -1.24 -0.99 114.94 115.91 1whr s ASN 213 Ca 0.37 -1.26 -0.06 0.00 -0.94 0.00 0.00 52.86 50.97 1whr s ASN 213 Cb 0.08 0.44 -0.04 0.00 -2.00 0.00 0.00 41.25 39.73 1whr s ASN 213 CO 0.12 -0.92 0.03 -1.59 -2.94 0.00 0.00 177.10 171.80 1whr s LYS 214 N -4.12 3.82 0.21 3.55 0.00 -1.26 -4.29 119.74 117.65 1whr s LYS 214 Ca 0.34 -0.40 0.07 0.00 0.00 0.00 0.00 55.97 55.98 1whr s LYS 214 Cb 0.05 -3.10 -0.05 0.00 0.00 0.00 0.00 37.83 34.73 1whr s LYS 214 CO 0.11 0.30 -0.10 0.95 0.00 0.00 0.00 175.35 176.61 1whr s THR 215 N 0.26 1.55 0.15 3.79 -4.23 -1.26 -5.01 115.64 110.89 1whr s THR 215 Ca 0.02 -2.15 -0.24 0.00 -1.18 0.00 0.00 61.69 58.14 1whr s THR 215 Cb -0.13 -2.13 0.03 0.00 1.34 0.00 0.00 72.50 71.61 1whr s THR 215 CO 0.01 -0.53 1.61 -1.28 -0.54 0.00 0.00 174.62 173.89 1whr h SER 216 N 2.52 -0.96 -1.29 3.99 0.87 -1.99 0.62 113.55 117.32 1whr h SER 216 Ca -0.38 0.16 0.41 0.00 -1.23 0.00 0.00 61.79 60.75 1whr h SER 216 Cb 1.22 0.44 -0.12 0.00 -0.44 0.00 0.00 62.40 63.50 1whr h SER 216 CO 0.64 -0.32 0.84 0.78 -0.53 0.00 0.00 176.83 178.24 1whr h ASN 217 N -0.29 0.26 -2.10 6.23 2.35 -1.96 -3.38 115.58 116.69 1whr h ASN 217 Ca 0.14 0.12 -0.57 0.00 -0.55 0.00 0.00 56.30 55.43 1whr h ASN 217 Cb 0.52 0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.99 1whr h ASN 217 CO -0.44 -0.12 1.42 0.41 -1.65 0.00 0.00 177.43 177.05 1whr n THR 218 N -4.62 0.48 -4.23 2.81 -1.04 0.21 -4.76 114.28 103.12 1whr n THR 218 Ca 0.35 -0.36 -0.13 0.00 -2.04 0.00 0.00 64.05 61.86 1whr n THR 218 Cb 1.35 -2.50 -0.10 0.00 -1.82 0.00 0.00 70.33 67.26 1whr n THR 218 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1whr s ARG 219 N 5.78 1.16 0.14 -2.82 0.52 -1.25 -4.89 118.95 117.59 1whr s ARG 219 Ca 0.97 -1.59 -0.30 0.00 -0.52 0.00 0.00 55.73 54.29 1whr s ARG 219 Cb -0.36 -0.02 -0.07 0.00 0.52 0.00 0.00 34.95 35.01 1whr s ARG 219 CO 0.37 -0.26 1.19 0.42 0.02 0.00 0.00 175.30 177.04 1whr s ILE 220 N -3.89 3.76 0.49 1.52 1.01 -1.26 -4.84 121.20 118.00 1whr s ILE 220 Ca 0.31 1.40 -0.22 0.00 0.00 0.00 0.00 60.65 62.14 1whr s ILE 220 Cb 0.07 -3.90 -0.07 0.00 0.01 0.00 0.00 42.46 38.58 1whr s ILE 220 CO 0.08 0.18 1.15 -2.16 0.00 0.00 0.00 174.94 174.19 1whr s PRO 221 N 0.22 3.61 0.47 2.79 0.04 -1.26 -4.92 135.00 135.95 1whr s PRO 221 Ca 0.55 1.71 0.20 0.00 0.04 0.00 0.00 61.00 63.50 1whr s PRO 221 Cb -0.31 -2.26 1.19 0.00 0.04 0.00 0.00 34.50 33.17 1whr s PRO 221 CO 0.34 -0.66 1.95 0.93 0.04 0.00 0.00 177.00 179.59 1whr h GLU 222 N 1.73 0.24 -3.45 4.56 3.07 -2.01 -3.40 114.58 115.32 1whr h GLU 222 Ca -0.50 -0.01 -0.28 0.00 -0.50 0.00 0.00 59.36 58.07 1whr h GLU 222 Cb 1.25 -0.05 -0.33 0.00 -0.84 0.00 0.00 28.75 28.78 1whr h GLU 222 CO 0.59 0.16 -0.69 -0.65 -1.40 0.00 0.00 179.01 177.02 1whr s GLN 223 N -5.25 0.01 0.41 2.33 -0.21 -1.26 -5.16 119.66 110.52 1whr s GLN 223 Ca -0.07 0.23 0.03 0.00 0.02 0.00 0.00 55.36 55.57 1whr s GLN 223 Cb 0.20 -0.21 -0.00 0.00 1.00 0.00 0.00 33.01 34.01 1whr s GLN 223 CO 0.75 -0.15 0.59 1.03 -2.12 0.00 0.00 175.29 175.39 1whr s ARG 224 N 1.01 3.06 0.34 2.91 0.52 -1.26 -5.00 118.95 120.54 1whr s ARG 224 Ca -0.08 -0.72 0.02 0.00 -0.52 0.00 0.00 55.73 54.43 1whr s ARG 224 Cb -0.11 -2.67 0.62 0.00 0.52 0.00 0.00 34.95 33.31 1whr s ARG 224 CO -0.04 -0.15 2.00 0.74 0.02 0.00 0.00 175.30 177.87 1whr h PHE 225 N 0.59 0.81 0.00 -0.53 0.04 -1.99 -0.52 116.94 115.34 1whr h PHE 225 Ca -0.46 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.33 1whr h PHE 225 Cb 1.26 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 39.13 1whr h PHE 225 CO 0.44 0.52 0.00 -1.13 -0.60 0.00 0.00 178.31 177.54 1whr n SER 226 N -4.43 0.43 0.12 2.17 3.41 -1.26 -0.45 113.62 113.61 1whr n SER 226 Ca 0.06 0.70 0.08 0.00 -0.26 0.00 0.00 58.87 59.45 1whr n SER 226 Cb 0.05 -0.75 0.03 0.00 -0.26 0.00 0.00 64.21 63.27 1whr n SER 226 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1whr h GLU 227 N 0.00 0.00 0.04 4.33 4.81 -1.47 -3.07 114.58 119.21 1whr h GLU 227 Ca 0.00 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 1whr h GLU 227 Cb 0.01 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1whr h GLU 227 CO 0.00 0.12 -1.23 0.45 -0.73 0.00 0.00 179.01 177.62 1whr h HIS 228 N 0.00 0.15 -0.54 0.92 3.86 -0.83 -3.28 115.15 115.42 1whr h HIS 228 Ca -0.03 -0.11 -0.08 0.00 -1.16 0.00 0.00 60.37 58.99 1whr h HIS 228 Cb 1.16 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.58 1whr h HIS 228 CO 0.00 1.10 0.09 0.44 0.86 0.00 0.00 177.93 180.42 1whr n ILE 229 N -3.35 2.71 -2.66 2.45 -6.64 -1.13 -4.98 119.36 105.76 1whr n ILE 229 Ca -0.06 -1.68 -0.40 0.00 -1.77 0.00 0.00 62.75 58.83 1whr n ILE 229 Cb 0.99 -0.30 -0.05 0.00 -1.44 0.00 0.00 39.64 38.83 1whr n ILE 229 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 1whr s LYS 230 N -2.89 4.78 -0.17 6.28 2.47 -1.16 -5.04 119.74 124.00 1whr s LYS 230 Ca 0.51 1.59 -0.14 0.00 -1.56 0.00 0.00 55.97 56.38 1whr s LYS 230 Cb 0.41 -3.25 -0.05 0.00 -1.46 0.00 0.00 37.83 33.48 1whr s LYS 230 CO 0.12 0.40 0.29 0.34 0.16 0.00 0.00 175.35 176.66 1whr s ASP 231 N -1.01 6.40 0.00 1.43 -1.08 -1.26 -4.96 116.67 116.19 1whr s ASP 231 Ca 0.43 0.46 0.18 0.00 -0.52 0.00 0.00 52.55 53.10 1whr s ASP 231 Cb -0.28 -2.18 0.75 0.00 -1.46 0.00 0.00 42.92 39.75 1whr s ASP 231 CO 0.35 0.08 1.52 -1.84 0.52 0.00 0.00 175.17 175.80 1whr n GLU 232 N 3.72 1.50 -2.31 4.34 0.28 -1.26 -4.89 120.64 122.02 1whr n GLU 232 Ca -0.12 -0.75 -0.41 0.00 -0.16 0.00 0.00 57.16 55.72 1whr n GLU 232 Cb 0.52 -1.33 -0.03 0.00 1.43 0.00 0.00 31.44 32.03 1whr n GLU 232 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1whr s LYS 233 N -1.83 4.46 -0.91 3.44 2.47 -1.26 -4.98 119.74 121.13 1whr s LYS 233 Ca 0.28 1.95 -0.04 0.00 -1.56 0.00 0.00 55.97 56.60 1whr s LYS 233 Cb 0.14 -3.21 0.23 0.00 -1.46 0.00 0.00 37.83 33.53 1whr s LYS 233 CO 0.22 -0.13 0.81 0.54 0.16 0.00 0.00 175.35 176.95 1whr s ASN 234 N 0.10 6.24 -0.03 1.43 2.20 -1.26 -5.02 114.94 118.60 1whr s ASN 234 Ca 0.53 -3.55 -0.04 0.00 -0.94 0.00 0.00 52.86 48.86 1whr s ASN 234 Cb -0.34 -1.98 0.01 0.00 -2.00 0.00 0.00 41.25 36.93 1whr s ASN 234 CO 0.38 -0.25 0.10 0.28 -2.94 0.00 0.00 177.10 174.68 1whr s THR 235 N -1.11 0.03 -0.97 0.54 -1.32 -1.26 -5.07 115.64 106.47 1whr s THR 235 Ca 0.26 -0.25 -0.25 0.00 -1.21 0.00 0.00 61.69 60.24 1whr s THR 235 Cb -0.09 -0.23 -0.12 0.00 -1.51 0.00 0.00 72.50 70.54 1whr s THR 235 CO -0.10 -0.14 2.11 -0.70 -2.21 0.00 0.00 174.62 173.58 1whr s GLU 236 N -0.43 1.96 0.68 7.08 2.12 -1.26 -4.92 118.70 123.94 1whr s GLU 236 Ca -0.05 -0.29 -0.02 0.00 0.36 0.00 0.00 54.97 54.97 1whr s GLU 236 Cb -0.03 -5.01 0.09 0.00 0.26 0.00 0.00 34.13 29.45 1whr s GLU 236 CO 0.00 -4.29 0.95 0.12 -0.54 0.00 0.00 175.26 171.50 1whr s PHE 237 N 13.18 2.15 -0.08 5.30 5.36 -1.26 -5.12 117.98 137.50 1whr s PHE 237 Ca 0.79 -0.06 -0.10 0.00 -0.96 0.00 0.00 56.93 56.59 1whr s PHE 237 Cb -0.07 -3.01 0.02 0.00 -0.34 0.00 0.00 43.02 39.63 1whr s PHE 237 CO 0.09 -1.47 0.28 1.14 -1.46 0.00 0.00 175.22 173.79 1whr s GLN 238 N -5.09 0.39 0.21 10.12 -2.07 -1.26 -5.17 119.66 116.79 1whr s GLN 238 Ca 0.63 0.25 -0.20 0.00 -1.82 0.00 0.00 55.36 54.22 1whr s GLN 238 Cb -0.07 0.18 0.04 0.00 -1.09 0.00 0.00 33.01 32.07 1whr s GLN 238 CO 0.43 -0.07 0.59 1.14 -1.32 0.00 0.00 175.29 176.07 1whr s GLN 239 N -0.18 1.45 -0.01 9.60 0.00 -1.26 -5.18 119.66 124.10 1whr s GLN 239 Ca -0.03 -0.79 0.02 0.00 -0.00 0.00 0.00 55.36 54.56 1whr s GLN 239 Cb -0.03 0.56 -0.01 0.00 0.00 0.00 0.00 33.01 33.54 1whr s GLN 239 CO 0.01 -0.64 -0.07 1.03 0.00 0.00 0.00 175.29 175.62 1whr s ARG 240 N -3.85 0.59 0.05 9.60 3.00 -1.26 -5.16 118.95 121.92 1whr s ARG 240 Ca 0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 55.73 55.53 1whr s ARG 240 Cb -0.02 -0.57 -0.03 0.00 0.00 0.00 0.00 34.95 34.32 1whr s ARG 240 CO -0.03 0.16 -0.02 -0.59 0.00 0.00 0.00 175.30 174.81 1whr s PHE 241 N -0.16 0.46 -0.10 -0.53 -0.71 -1.26 -5.16 117.98 110.52 1whr s PHE 241 Ca 0.03 -0.95 0.00 0.00 -1.04 0.00 0.00 56.93 54.97 1whr s PHE 241 Cb -0.03 -0.34 -0.03 0.00 -1.21 0.00 0.00 43.02 41.42 1whr s PHE 241 CO -0.00 -0.35 -0.09 0.42 -1.34 0.00 0.00 175.22 173.86 1whr s ILE 242 N -3.45 3.48 0.00 -4.49 1.01 -1.26 -4.99 121.20 111.50 1whr s ILE 242 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1whr s ILE 242 Cb 0.05 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 40.07 1whr s ILE 242 CO -0.08 0.56 0.00 -0.11 0.00 0.00 0.00 174.94 175.31 1whr n LEU 243 N 2.79 0.07 -3.87 2.97 0.00 -1.26 -5.09 117.00 112.62 1whr n LEU 243 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 56.01 55.48 1whr n LEU 243 Cb 0.53 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.97 1whr n LEU 243 CO 0.29 -0.16 -0.87 -1.54 0.00 0.00 0.00 177.39 175.11 1whr n SER 244 N -2.80 -4.36 0.00 1.96 3.41 -1.26 -4.97 113.62 105.60 1whr n SER 244 Ca 0.00 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1whr n SER 244 Cb 0.33 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1whr n SER 244 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1whr n GLY 245 N 2.73 -1.67 3.77 5.00 0.00 -1.26 -5.16 105.19 108.60 1whr n GLY 245 Ca 0.04 0.85 -0.34 0.00 0.00 0.00 0.00 46.02 46.56 1whr n GLY 245 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1whr s PRO 246 N 0.00 3.13 -0.03 1.61 0.04 -1.26 -5.06 135.00 133.43 1whr s PRO 246 Ca 0.00 1.52 0.02 0.00 0.04 0.00 0.00 61.00 62.59 1whr s PRO 246 Cb 0.00 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1whr s PRO 246 CO 0.00 -1.01 -0.09 -1.54 0.04 0.00 0.00 177.00 174.40 1whr s SER 247 N -2.10 1.24 0.39 6.66 1.04 -1.26 -5.14 113.70 114.52 1whr s SER 247 Ca 0.70 -0.19 -0.24 0.00 0.48 0.00 0.00 55.95 56.70 1whr s SER 247 Cb -0.22 -0.34 -0.09 0.00 0.10 0.00 0.00 66.02 65.47 1whr s SER 247 CO 0.33 0.07 1.02 -0.94 0.98 0.00 0.00 173.24 174.69 1whr s SER 248 N 0.20 6.90 0.00 7.02 1.04 -1.26 -5.38 113.70 122.22 1whr s SER 248 Ca -0.03 1.96 0.29 0.00 0.48 0.00 0.00 55.95 58.64 1whr s SER 248 Cb -0.09 -2.58 1.25 0.00 0.10 0.00 0.00 66.02 64.70 1whr s SER 248 CO 0.01 -0.39 1.86 0.61 0.98 0.00 0.00 173.24 176.30