#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whr n SER 127 N 0.00 0.83 -4.08 1.61 3.41 -1.26 -4.92 113.62 109.21 1whr n SER 127 Ca 0.00 1.14 -0.36 0.00 -0.26 0.00 0.00 58.87 59.40 1whr n SER 127 Cb 0.00 -1.13 -0.09 0.00 -0.26 0.00 0.00 64.21 62.72 1whr n SER 127 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1whr s SER 128 N -0.09 5.26 0.00 4.04 0.01 -1.26 -4.86 113.70 116.80 1whr s SER 128 Ca 0.76 -3.05 0.00 0.00 1.31 0.00 0.00 55.95 54.97 1whr s SER 128 Cb -0.94 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 63.45 1whr s SER 128 CO 0.53 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 174.47 1whr n GLY 129 N 3.21 -2.77 3.33 3.44 0.00 -1.26 -5.05 105.19 106.09 1whr n GLY 129 Ca 0.10 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1whr n GLY 129 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1whr s SER 130 N 0.00 4.50 0.47 1.61 1.04 -1.26 -5.10 113.70 114.96 1whr s SER 130 Ca 0.00 -0.40 0.05 0.00 0.48 0.00 0.00 55.95 56.09 1whr s SER 130 Cb 0.00 -1.78 -0.02 0.00 0.10 0.00 0.00 66.02 64.32 1whr s SER 130 CO 0.00 -0.04 0.19 -0.44 0.98 0.00 0.00 173.24 173.93 1whr s SER 131 N 1.50 4.37 0.00 7.02 0.01 -1.26 -5.13 113.70 120.21 1whr s SER 131 Ca 0.05 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 56.03 1whr s SER 131 Cb -0.15 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.09 1whr s SER 131 CO -0.02 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.48 1whr n GLY 132 N -1.37 4.56 2.95 3.44 0.00 -1.26 -5.12 105.19 108.39 1whr n GLY 132 Ca -0.06 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 1whr n GLY 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1whr s THR 133 N -1.04 0.15 -0.18 2.61 -4.23 -1.26 -5.07 115.64 106.61 1whr s THR 133 Ca 0.00 -0.58 -0.22 0.00 -1.18 0.00 0.00 61.69 59.71 1whr s THR 133 Cb 0.00 -0.22 -0.20 0.00 1.34 0.00 0.00 72.50 73.42 1whr s THR 133 CO 0.00 -0.28 0.33 -2.24 -0.54 0.00 0.00 174.62 171.90 1whr h ASP 134 N 5.23 0.00 -2.23 3.99 2.03 -2.08 -3.47 116.42 119.89 1whr h ASP 134 Ca -0.29 -0.60 -0.62 0.00 -0.73 0.00 0.00 57.03 54.79 1whr h ASP 134 Cb 1.21 0.00 0.09 0.00 -0.83 0.00 0.00 39.33 39.80 1whr h ASP 134 CO 0.45 1.29 0.22 -1.54 -1.03 0.00 0.00 179.24 178.63 1whr n SER 135 N -4.50 1.38 -4.30 4.15 3.41 -1.26 -4.93 113.62 107.57 1whr n SER 135 Ca -0.24 1.16 -0.42 0.00 -0.26 0.00 0.00 58.87 59.11 1whr n SER 135 Cb 0.59 -1.26 -0.09 0.00 -0.26 0.00 0.00 64.21 63.19 1whr n SER 135 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1whr s THR 136 N -0.60 4.54 1.04 6.66 2.01 -1.26 -5.08 115.64 122.96 1whr s THR 136 Ca 0.66 -1.34 -0.22 0.00 0.31 0.00 0.00 61.69 61.09 1whr s THR 136 Cb -0.77 -3.78 -0.06 0.00 0.01 0.00 0.00 72.50 67.90 1whr s THR 136 CO 0.56 -0.56 -0.74 0.61 -0.69 0.00 0.00 174.62 173.79 1whr n GLY 137 N 5.01 -2.94 3.36 4.40 0.00 -1.26 -4.91 105.19 108.86 1whr n GLY 137 Ca -0.11 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 1whr n GLY 137 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1whr n ILE 138 N -3.73 0.00 -1.53 -0.61 -0.00 -1.26 -4.76 119.36 107.47 1whr n ILE 138 Ca -0.00 -0.38 -0.49 0.00 -0.00 0.00 0.00 62.75 61.88 1whr n ILE 138 Cb 0.67 -0.86 -0.06 0.00 -0.00 0.00 0.00 39.64 39.39 1whr n ILE 138 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1whr n ASP 139 N -3.97 2.63 -0.04 7.28 8.00 -1.26 -4.87 116.55 124.32 1whr n ASP 139 Ca 0.03 0.48 -0.00 0.00 0.71 0.00 0.00 54.79 56.01 1whr n ASP 139 Cb 0.57 -1.34 -0.00 0.00 -0.02 0.00 0.00 41.12 40.32 1whr n ASP 139 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1whr h LEU 140 N 12.28 0.00 -0.67 0.64 3.38 -2.00 -3.31 115.31 125.63 1whr h LEU 140 Ca -0.35 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.69 1whr h LEU 140 Cb 1.29 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.96 1whr h LEU 140 CO 0.99 0.38 -0.46 -0.74 0.09 0.00 0.00 178.44 178.70 1whr h HIS 141 N -0.77 -1.48 -0.91 1.13 2.76 -1.99 0.86 115.15 114.76 1whr h HIS 141 Ca 0.00 0.09 0.16 0.00 -2.20 0.00 0.00 60.37 58.42 1whr h HIS 141 Cb 0.00 0.73 -0.16 0.00 1.55 0.00 0.00 27.41 29.54 1whr h HIS 141 CO -0.00 -0.32 -0.30 0.39 -1.30 0.00 0.00 177.93 176.40 1whr n GLU 142 N -4.81 -0.16 0.24 5.26 -0.58 -1.26 -1.39 120.64 117.95 1whr n GLU 142 Ca 0.00 1.42 -0.10 0.00 -0.42 0.00 0.00 57.16 58.07 1whr n GLU 142 Cb 0.22 -2.11 -0.05 0.00 -0.57 0.00 0.00 31.44 28.94 1whr n GLU 142 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1whr h PHE 143 N 0.00 -0.58 -0.72 -0.32 3.57 -0.97 0.20 116.94 118.11 1whr h PHE 143 Ca 0.37 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.97 1whr h PHE 143 Cb 0.60 0.19 -0.12 0.00 2.79 0.00 0.00 35.95 39.41 1whr h PHE 143 CO -0.76 -0.36 -0.28 1.28 -2.23 0.00 0.00 178.31 175.96 1whr n LEU 144 N -3.68 -0.46 -0.17 0.59 4.77 -0.48 0.16 117.00 117.74 1whr n LEU 144 Ca -0.08 1.26 -0.09 0.00 -0.03 0.00 0.00 56.01 57.07 1whr n LEU 144 Cb 0.25 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1whr n LEU 144 CO 0.19 -1.14 0.89 0.58 -1.33 0.00 0.00 177.39 176.57 1whr h VAL 145 N 0.00 1.24 -0.72 4.08 2.07 -1.18 -1.64 116.25 120.10 1whr h VAL 145 Ca 0.26 -0.83 0.15 0.00 0.82 0.00 0.00 66.70 67.10 1whr h VAL 145 Cb 0.44 0.87 -0.11 0.00 -1.52 0.00 0.00 31.29 30.97 1whr h VAL 145 CO -0.72 0.30 0.17 -1.13 0.02 0.00 0.00 177.57 176.20 1whr h ASN 146 N 0.64 0.00 -0.16 0.57 -1.24 0.37 -1.23 115.58 114.53 1whr h ASN 146 Ca 0.15 0.14 -0.14 0.00 0.71 0.00 0.00 56.30 57.16 1whr h ASN 146 Cb 0.32 0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.57 1whr h ASN 146 CO 0.00 -0.03 -0.45 0.74 -1.29 0.00 0.00 177.43 176.40 1whr h THR 147 N 0.27 1.34 -0.97 -3.57 2.02 -1.01 0.16 112.91 111.15 1whr h THR 147 Ca 0.40 -1.71 0.24 0.00 0.77 0.00 0.00 66.41 66.11 1whr h THR 147 Cb 0.67 2.00 -0.13 0.00 -1.74 0.00 0.00 68.15 68.95 1whr h THR 147 CO -0.50 0.53 0.52 -0.07 0.37 0.00 0.00 175.52 176.37 1whr h LEU 148 N 0.23 0.54 0.00 2.58 3.38 -0.26 0.50 115.31 122.28 1whr h LEU 148 Ca -0.01 0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 1whr h LEU 148 Cb 1.07 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1whr h LEU 148 CO 0.10 0.05 -0.87 0.11 0.09 0.00 0.00 178.44 177.91 1whr h LYS 149 N 0.50 0.00 -0.40 1.13 1.57 -1.34 -3.26 116.57 114.76 1whr h LYS 149 Ca 0.62 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.48 1whr h LYS 149 Cb 1.21 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.43 1whr h LYS 149 CO -0.51 0.51 -0.34 0.87 -0.57 0.00 0.00 179.45 179.42 1whr h LYS 150 N -1.00 -0.25 -3.10 3.15 1.79 -0.46 -3.30 116.57 113.40 1whr h LYS 150 Ca -0.18 0.02 -0.62 0.00 -2.18 0.00 0.00 60.65 57.69 1whr h LYS 150 Cb 0.90 0.06 -0.41 0.00 -1.58 0.00 0.00 32.23 31.20 1whr h LYS 150 CO -0.11 -0.17 -0.69 -0.80 -1.08 0.00 0.00 179.45 176.61 1whr s ASN 151 N -5.07 3.94 0.29 0.86 0.01 0.17 -4.95 114.94 110.20 1whr s ASN 151 Ca -0.15 -3.01 0.08 0.00 -0.71 0.00 0.00 52.86 49.07 1whr s ASN 151 Cb 0.13 -1.31 0.45 0.00 0.41 0.00 0.00 41.25 40.94 1whr s ASN 151 CO 0.68 -0.22 1.69 1.55 -1.51 0.00 0.00 177.10 179.29 1whr h PRO 152 N 6.34 0.16 -0.72 -0.60 0.13 -1.65 -3.04 132.00 132.61 1whr h PRO 152 Ca 0.01 -0.08 0.21 0.00 -0.87 0.00 0.00 66.00 65.27 1whr h PRO 152 Cb 0.88 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.99 1whr h PRO 152 CO 0.59 0.60 0.77 0.07 -0.23 0.00 0.00 178.00 179.79 1whr h ARG 153 N 0.13 0.00 0.00 0.86 0.11 -1.91 1.26 114.38 114.83 1whr h ARG 153 Ca 0.01 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.03 1whr h ARG 153 Cb 0.88 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.95 1whr h ARG 153 CO 0.07 0.00 -1.51 -0.25 0.10 0.00 0.00 179.97 178.38 1whr n ASP 154 N -3.58 0.50 -0.22 0.08 8.00 -1.15 -4.33 116.55 115.85 1whr n ASP 154 Ca 0.15 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.85 1whr n ASP 154 Cb 1.02 0.97 0.07 0.00 -0.02 0.00 0.00 41.12 43.16 1whr n ASP 154 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1whr h ARG 155 N 0.00 0.01 -0.20 -1.24 2.43 0.15 0.69 114.38 116.22 1whr h ARG 155 Ca -0.06 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1whr h ARG 155 Cb 1.18 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.66 1whr h ARG 155 CO 0.01 0.01 -0.33 0.52 -1.51 0.00 0.00 179.97 178.66 1whr h MET 156 N 0.01 -0.36 0.33 0.20 2.86 -1.75 -0.38 114.93 115.84 1whr h MET 156 Ca 0.32 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.97 1whr h MET 156 Cb 0.49 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1whr h MET 156 CO -0.67 -0.24 -0.23 1.98 1.06 0.00 0.00 176.91 178.82 1whr h MET 157 N -0.37 -0.52 -0.77 1.72 1.85 -1.46 -2.22 114.93 113.16 1whr h MET 157 Ca 0.11 0.04 0.18 0.00 -0.61 0.00 0.00 59.70 59.41 1whr h MET 157 Cb 0.55 0.12 -0.14 0.00 0.43 0.00 0.00 31.60 32.56 1whr h MET 157 CO -0.40 -0.35 -0.01 -0.07 -0.40 0.00 0.00 176.91 175.68 1whr h LEU 158 N -0.54 -0.38 -0.55 3.39 3.38 -0.51 0.17 115.31 120.27 1whr h LEU 158 Ca -0.03 0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1whr h LEU 158 Cb 0.46 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1whr h LEU 158 CO 0.01 -0.19 0.34 -0.07 0.09 0.00 0.00 178.44 178.62 1whr h LEU 159 N 0.09 0.56 -0.12 1.67 3.38 -0.78 -1.73 115.31 118.38 1whr h LEU 159 Ca 0.42 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.44 1whr h LEU 159 Cb 0.74 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 1whr h LEU 159 CO -0.69 0.39 -0.27 0.50 0.09 0.00 0.00 178.44 178.46 1whr h LYS 160 N 0.68 -0.33 -0.21 1.13 3.64 -0.07 0.71 116.57 122.12 1whr h LYS 160 Ca 0.22 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1whr h LYS 160 Cb -0.00 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1whr h LYS 160 CO -0.09 -0.22 0.04 -0.07 -2.27 0.00 0.00 179.45 176.84 1whr h LEU 161 N -0.35 0.01 -0.42 5.20 3.38 -1.15 -2.25 115.31 119.73 1whr h LEU 161 Ca 0.10 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.17 1whr h LEU 161 Cb 0.49 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 1whr h LEU 161 CO -0.32 0.03 0.06 -0.08 0.09 0.00 0.00 178.44 178.22 1whr h GLU 162 N 0.12 0.17 -0.55 1.13 4.81 -0.78 0.32 114.58 119.80 1whr h GLU 162 Ca 0.09 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 1whr h GLU 162 Cb 0.09 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.37 1whr h GLU 162 CO -0.13 0.11 0.19 0.37 -0.73 0.00 0.00 179.01 178.83 1whr h GLN 163 N 0.18 0.36 -0.53 1.92 5.75 -0.49 0.24 115.11 122.53 1whr h GLN 163 Ca 0.21 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.63 1whr h GLN 163 Cb 0.28 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 1whr h GLN 163 CO -0.30 0.24 0.10 0.93 -2.65 0.00 0.00 178.83 177.15 1whr h GLU 164 N 0.37 0.87 -0.67 1.69 4.39 -0.77 -2.44 114.58 118.01 1whr h GLU 164 Ca 0.27 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1whr h GLU 164 Cb 0.32 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1whr h GLU 164 CO -0.28 0.84 0.43 0.82 -1.16 0.00 0.00 179.01 179.65 1whr h ILE 165 N 0.76 1.18 0.68 3.13 2.04 -0.14 -1.47 117.51 123.69 1whr h ILE 165 Ca 0.16 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 1whr h ILE 165 Cb 0.38 0.22 0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1whr h ILE 165 CO 0.01 0.18 -0.33 -0.07 0.00 0.00 0.00 178.15 177.94 1whr h LEU 166 N 0.91 -0.77 -2.02 1.44 3.38 -0.82 -0.32 115.31 117.11 1whr h LEU 166 Ca 0.24 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.36 1whr h LEU 166 Cb -0.07 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1whr h LEU 166 CO -0.05 -0.54 0.32 1.05 0.09 0.00 0.00 178.44 179.31 1whr h GLU 167 N -0.93 0.00 0.27 1.13 4.11 -1.35 -2.32 114.58 115.49 1whr h GLU 167 Ca -0.09 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.32 1whr h GLU 167 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1whr h GLU 167 CO 0.15 0.00 -0.13 0.35 0.07 0.00 0.00 179.01 179.45 1whr h PHE 168 N 0.00 -0.34 -0.59 2.06 3.57 -0.75 -1.89 116.94 119.00 1whr h PHE 168 Ca 0.20 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.81 1whr h PHE 168 Cb 0.84 0.11 -0.12 0.00 2.79 0.00 0.00 35.95 39.58 1whr h PHE 168 CO 0.00 -0.02 -0.21 0.82 -2.23 0.00 0.00 178.31 176.67 1whr h ILE 169 N -0.98 0.31 0.03 1.41 2.04 -0.59 -1.43 117.51 118.30 1whr h ILE 169 Ca -0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1whr h ILE 169 Cb 0.47 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1whr h ILE 169 CO 0.06 0.00 -0.01 -1.13 0.00 0.00 0.00 178.15 177.07 1whr h ASN 170 N -0.07 -0.03 -1.38 1.72 -0.73 -1.53 -3.40 115.58 110.16 1whr h ASN 170 Ca 0.27 -0.08 -0.50 0.00 1.87 0.00 0.00 56.30 57.86 1whr h ASN 170 Cb 0.49 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 1whr h ASN 170 CO -0.64 0.06 1.62 -0.67 -0.37 0.00 0.00 177.43 177.43 1whr n ASP 171 N -5.06 2.13 -0.14 1.15 2.03 -0.54 -4.80 116.55 111.32 1whr n ASP 171 Ca -0.08 -0.24 -0.09 0.00 0.52 0.00 0.00 54.79 54.90 1whr n ASP 171 Cb 0.08 -1.46 0.05 0.00 -0.72 0.00 0.00 41.12 39.07 1whr n ASP 171 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1whr h ASN 172 N 17.37 0.94 -0.95 1.67 2.35 -1.79 -3.03 115.58 132.14 1whr h ASN 172 Ca -0.24 -0.32 0.28 0.00 -0.55 0.00 0.00 56.30 55.47 1whr h ASN 172 Cb 1.28 -0.26 -0.15 0.00 0.05 0.00 0.00 38.32 39.25 1whr h ASN 172 CO 1.15 1.08 0.41 0.78 -1.65 0.00 0.00 177.43 179.20 1whr h ASN 173 N 0.82 0.27 -3.34 5.81 4.21 -1.93 -3.38 115.58 118.04 1whr h ASN 173 Ca 0.12 0.19 -0.56 0.00 1.21 0.00 0.00 56.30 57.26 1whr h ASN 173 Cb 0.70 0.20 -0.05 0.00 -1.12 0.00 0.00 38.32 38.06 1whr h ASN 173 CO 0.05 -0.14 0.03 0.20 -1.29 0.00 0.00 177.43 176.29 1whr s ASN 174 N -5.00 7.05 0.00 5.81 -0.87 -1.15 -4.81 114.94 115.98 1whr s ASN 174 Ca -0.11 1.25 0.00 0.00 -1.57 0.00 0.00 52.86 52.43 1whr s ASN 174 Cb 0.28 -2.39 0.00 0.00 -0.02 0.00 0.00 41.25 39.12 1whr s ASN 174 CO 0.78 0.09 0.00 0.00 -2.57 0.00 0.00 177.10 175.40 1whr n GLN 175 N 2.67 1.88 -4.78 -0.60 10.64 -1.26 -4.90 117.38 121.03 1whr n GLN 175 Ca -0.06 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.81 1whr n GLN 175 Cb 0.51 -0.98 -0.14 0.00 -0.86 0.00 0.00 30.24 28.76 1whr n GLN 175 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1whr s PHE 176 N -1.96 2.31 -0.07 2.61 0.08 -1.26 -1.41 117.98 118.28 1whr s PHE 176 Ca 0.00 -0.41 -0.03 0.00 0.12 0.00 0.00 56.93 56.62 1whr s PHE 176 Cb 0.00 -1.35 0.04 0.00 -0.57 0.00 0.00 43.02 41.14 1whr s PHE 176 CO 0.00 0.18 0.13 0.21 -0.10 0.00 0.00 175.22 175.64 1whr s LYS 177 N -1.44 0.01 -0.39 0.44 2.20 -0.24 -5.02 119.74 115.30 1whr s LYS 177 Ca 0.12 0.48 -0.05 0.00 -0.36 0.00 0.00 55.97 56.16 1whr s LYS 177 Cb -0.10 -0.31 0.09 0.00 -1.51 0.00 0.00 37.83 36.00 1whr s LYS 177 CO 0.03 -0.29 0.19 0.21 -0.36 0.00 0.00 175.35 175.13 1whr s LYS 178 N 2.07 2.31 0.65 4.03 2.36 -1.26 -1.19 119.74 128.71 1whr s LYS 178 Ca 0.01 -1.59 -0.16 0.00 -2.55 0.00 0.00 55.97 51.68 1whr s LYS 178 Cb -0.12 -3.59 -0.00 0.00 -1.05 0.00 0.00 37.83 33.07 1whr s LYS 178 CO -0.05 -0.95 1.15 -0.06 1.55 0.00 0.00 175.35 176.99 1whr s PHE 179 N 1.27 2.45 0.84 4.03 0.08 -1.12 -5.01 117.98 120.52 1whr s PHE 179 Ca 0.04 1.56 -0.11 0.00 0.12 0.00 0.00 56.93 58.54 1whr s PHE 179 Cb -0.22 -3.31 0.10 0.00 -0.57 0.00 0.00 43.02 39.01 1whr s PHE 179 CO -0.01 -1.98 1.09 -1.25 -0.10 0.00 0.00 175.22 172.96 1whr s PRO 180 N -3.81 1.71 -0.10 0.24 0.04 -1.26 -4.42 135.00 127.39 1whr s PRO 180 Ca 0.71 0.98 -0.29 0.00 0.04 0.00 0.00 61.00 62.44 1whr s PRO 180 Cb -0.25 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 1whr s PRO 180 CO 0.39 -1.97 1.77 -0.65 0.04 0.00 0.00 177.00 176.58 1whr s GLN 181 N -4.92 3.94 0.50 4.56 1.11 -1.26 -4.71 119.66 118.88 1whr s GLN 181 Ca 0.62 2.11 0.03 0.00 0.01 0.00 0.00 55.36 58.13 1whr s GLN 181 Cb -0.18 -4.08 -0.01 0.00 -1.01 0.00 0.00 33.01 27.73 1whr s GLN 181 CO 0.57 -1.14 0.09 0.00 0.01 0.00 0.00 175.29 174.82 1whr s MET 182 N 4.57 2.18 0.78 2.91 0.23 -1.26 -5.00 119.30 123.71 1whr s MET 182 Ca 0.79 -2.26 -0.12 0.00 -1.03 0.00 0.00 55.69 53.07 1whr s MET 182 Cb -0.33 -1.68 0.06 0.00 -1.53 0.00 0.00 34.83 31.35 1whr s MET 182 CO 0.33 -0.36 1.15 0.95 -2.03 0.00 0.00 175.02 175.06 1whr s THR 183 N -2.82 2.50 0.11 3.16 -4.23 -1.26 -4.82 115.64 108.28 1whr s THR 183 Ca 0.17 0.16 -0.34 0.00 -1.18 0.00 0.00 61.69 60.50 1whr s THR 183 Cb 0.02 -3.15 -0.13 0.00 1.34 0.00 0.00 72.50 70.58 1whr s THR 183 CO 0.09 -0.21 1.56 0.77 -0.54 0.00 0.00 174.62 176.29 1whr h SER 184 N -0.95 -1.57 -0.85 3.99 4.64 -1.99 -0.94 113.55 115.88 1whr h SER 184 Ca -0.46 0.17 0.09 0.00 -0.47 0.00 0.00 61.79 61.12 1whr h SER 184 Cb 1.30 0.59 -0.11 0.00 -0.31 0.00 0.00 62.40 63.87 1whr h SER 184 CO 0.65 -0.53 -0.56 0.22 -0.87 0.00 0.00 176.83 175.74 1whr h TYR 185 N -0.70 -1.75 -0.23 4.77 3.20 -2.01 0.15 116.97 120.40 1whr h TYR 185 Ca 0.01 0.12 0.06 0.00 3.14 0.00 0.00 58.73 62.05 1whr h TYR 185 Cb 0.73 0.88 -0.07 0.00 1.54 0.00 0.00 36.73 39.82 1whr h TYR 185 CO -0.47 -0.40 -0.23 0.45 -1.64 0.00 0.00 178.16 175.86 1whr h HIS 186 N -0.10 -0.61 -0.92 -3.82 3.86 -1.85 -1.54 115.15 110.17 1whr h HIS 186 Ca 0.16 0.04 0.22 0.00 -1.16 0.00 0.00 60.37 59.63 1whr h HIS 186 Cb 0.48 0.30 -0.17 0.00 1.06 0.00 0.00 27.41 29.08 1whr h HIS 186 CO -0.93 -0.31 -0.06 -0.09 0.86 0.00 0.00 177.93 177.40 1whr h ARG 187 N -0.24 0.03 0.46 2.45 2.43 0.41 0.31 114.38 120.22 1whr h ARG 187 Ca 0.13 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1whr h ARG 187 Cb 0.45 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1whr h ARG 187 CO -0.37 0.02 -0.22 1.98 -1.51 0.00 0.00 179.97 179.87 1whr h MET 188 N 0.03 -0.59 -0.67 0.20 4.05 -0.61 -2.28 114.93 115.06 1whr h MET 188 Ca 0.51 0.04 0.08 0.00 -0.28 0.00 0.00 59.70 60.06 1whr h MET 188 Cb 0.95 0.13 -0.11 0.00 -0.80 0.00 0.00 31.60 31.78 1whr h MET 188 CO -0.88 -0.31 -0.50 -0.07 0.23 0.00 0.00 176.91 175.38 1whr h LEU 189 N -0.80 -1.74 0.15 3.39 3.38 -0.30 -1.46 115.31 117.93 1whr h LEU 189 Ca -0.06 0.27 0.02 0.00 0.09 0.00 0.00 57.88 58.19 1whr h LEU 189 Cb 0.55 0.77 -0.04 0.00 0.09 0.00 0.00 40.66 42.03 1whr h LEU 189 CO 0.10 -0.33 -0.44 0.25 0.09 0.00 0.00 178.44 178.12 1whr h LEU 190 N -0.20 -1.29 -1.09 1.67 5.85 -1.22 -1.03 115.31 118.00 1whr h LEU 190 Ca 0.16 0.14 0.43 0.00 0.84 0.00 0.00 57.88 59.46 1whr h LEU 190 Cb 0.54 0.48 -0.17 0.00 0.37 0.00 0.00 40.66 41.88 1whr h LEU 190 CO -0.75 -0.51 0.62 1.41 -0.34 0.00 0.00 178.44 178.87 1whr n HIS 191 N -5.48 1.06 -0.04 1.25 8.25 -0.62 0.13 115.22 119.77 1whr n HIS 191 Ca -0.08 1.07 -0.16 0.00 -0.26 0.00 0.00 57.72 58.30 1whr n HIS 191 Cb 0.39 -1.48 -0.08 0.00 1.12 0.00 0.00 29.99 29.94 1whr n HIS 191 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1whr h ARG 192 N 0.00 0.56 -0.22 -0.41 9.65 -0.47 -2.31 114.38 121.18 1whr h ARG 192 Ca 0.86 -0.43 0.03 0.00 -1.10 0.00 0.00 59.98 59.35 1whr h ARG 192 Cb 2.39 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 31.02 1whr h ARG 192 CO -0.70 1.05 0.02 0.28 2.80 0.00 0.00 179.97 183.42 1whr h VAL 193 N 0.19 0.87 0.30 0.20 2.07 0.20 -1.50 116.25 118.58 1whr h VAL 193 Ca -0.02 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1whr h VAL 193 Cb 1.11 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1whr h VAL 193 CO 0.10 0.02 -0.15 0.00 0.02 0.00 0.00 177.57 177.56 1whr h ALA 194 N 1.18 -0.41 -0.99 1.67 0.00 -1.19 -2.07 119.26 117.45 1whr h ALA 194 Ca 0.10 -0.14 0.27 0.00 0.00 0.00 0.00 54.91 55.15 1whr h ALA 194 Cb 0.12 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1whr h ALA 194 CO -0.16 -0.65 0.69 0.00 0.00 0.00 0.00 179.25 179.13 1whr h ALA 195 N 0.09 2.71 -0.02 0.00 0.00 -1.27 0.26 119.26 121.03 1whr h ALA 195 Ca -0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1whr h ALA 195 Cb 0.41 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1whr h ALA 195 CO 0.07 -1.02 -0.14 -0.92 0.00 0.00 0.00 179.25 177.24 1whr h TYR 196 N 0.13 0.19 0.00 0.00 3.20 -0.93 -3.19 116.97 116.37 1whr h TYR 196 Ca 0.49 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 62.26 1whr h TYR 196 Cb 1.72 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.96 1whr h TYR 196 CO -0.00 0.80 -0.09 0.74 -1.64 0.00 0.00 178.16 177.97 1whr h PHE 197 N -0.47 0.00 -0.08 -3.82 -1.00 -0.37 -3.47 116.94 107.73 1whr h PHE 197 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1whr h PHE 197 Cb 0.82 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.38 1whr h PHE 197 CO 0.15 0.09 0.00 0.41 -1.61 0.00 0.00 178.31 177.35 1whr n GLY 198 N -0.26 1.35 3.41 -1.45 0.00 0.74 -1.47 105.19 107.51 1whr n GLY 198 Ca -0.01 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 1whr n GLY 198 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1whr s MET 199 N -1.07 1.85 0.10 1.61 0.23 -0.59 -2.46 119.30 118.97 1whr s MET 199 Ca 0.00 -1.10 -0.02 0.00 -1.03 0.00 0.00 55.69 53.54 1whr s MET 199 Cb 0.00 -2.06 -0.05 0.00 -1.53 0.00 0.00 34.83 31.19 1whr s MET 199 CO 0.00 0.51 0.29 0.34 -2.03 0.00 0.00 175.02 174.13 1whr s ASP 200 N -1.50 6.42 0.28 -1.18 -1.08 -1.26 -3.82 116.67 114.52 1whr s ASP 200 Ca 0.14 0.41 0.11 0.00 -0.52 0.00 0.00 52.55 52.68 1whr s ASP 200 Cb -0.10 -2.02 -0.05 0.00 -1.46 0.00 0.00 42.92 39.29 1whr s ASP 200 CO 0.04 0.11 -0.17 -1.38 0.52 0.00 0.00 175.17 174.30 1whr s HIS 201 N -1.58 2.21 0.16 -5.34 -3.43 -1.26 -3.80 115.29 102.24 1whr s HIS 201 Ca 0.38 -0.40 0.03 0.00 -0.80 0.00 0.00 55.06 54.27 1whr s HIS 201 Cb -0.13 -1.02 -0.05 0.00 -1.43 0.00 0.00 32.58 29.96 1whr s HIS 201 CO 0.27 0.63 -0.06 -0.80 -2.00 0.00 0.00 174.74 172.77 1whr s ASN 202 N -3.49 1.62 -0.00 7.38 -0.87 0.16 -4.90 114.94 114.83 1whr s ASN 202 Ca 0.29 -1.07 -0.00 0.00 -1.57 0.00 0.00 52.86 50.50 1whr s ASN 202 Cb -0.03 0.03 -0.04 0.00 -0.02 0.00 0.00 41.25 41.19 1whr s ASN 202 CO 0.14 -0.42 0.08 0.68 -2.57 0.00 0.00 177.10 175.01 1whr s VAL 203 N -3.44 4.72 0.52 1.60 -7.23 -1.26 -0.40 120.40 114.92 1whr s VAL 203 Ca 0.19 -0.42 0.03 0.00 -1.81 0.00 0.00 61.98 59.97 1whr s VAL 203 Cb 0.04 -3.16 0.03 0.00 0.56 0.00 0.00 36.38 33.85 1whr s VAL 203 CO 0.02 0.35 0.73 1.51 -0.31 0.00 0.00 175.10 177.39 1whr s ASP 204 N -1.75 5.36 0.23 4.85 -4.77 -1.21 -4.87 116.67 114.51 1whr s ASP 204 Ca 0.23 -0.11 -0.10 0.00 -3.30 0.00 0.00 52.55 49.28 1whr s ASP 204 Cb -0.12 -0.82 0.34 0.00 -1.09 0.00 0.00 42.92 41.22 1whr s ASP 204 CO 0.14 -1.06 1.34 1.67 0.70 0.00 0.00 175.17 177.96 1whr n GLN 205 N -2.23 -0.12 0.09 2.11 7.27 -1.26 0.10 117.38 123.34 1whr n GLN 205 Ca 0.08 1.34 -0.12 0.00 0.07 0.00 0.00 57.00 58.37 1whr n GLN 205 Cb 0.60 -1.99 -0.08 0.00 2.41 0.00 0.00 30.24 31.17 1whr n GLN 205 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1whr h THR 206 N 0.00 1.50 0.00 1.69 1.35 -1.94 -3.47 112.91 112.04 1whr h THR 206 Ca 0.38 -2.85 0.00 0.00 -0.55 0.00 0.00 66.41 63.38 1whr h THR 206 Cb 0.59 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 1whr h THR 206 CO -0.88 0.83 0.00 0.61 -0.25 0.00 0.00 175.52 175.84 1whr n GLY 207 N 1.20 2.59 0.41 5.82 0.00 0.29 -4.92 105.19 110.58 1whr n GLY 207 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1whr n GLY 207 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1whr h LYS 208 N 2.35 -0.47 -6.21 1.61 1.79 -1.92 -3.43 116.57 110.30 1whr h LYS 208 Ca 0.00 0.03 -0.46 0.00 -2.18 0.00 0.00 60.65 58.04 1whr h LYS 208 Cb 0.00 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1whr h LYS 208 CO 0.00 -0.32 -0.42 0.00 -1.08 0.00 0.00 179.45 177.64 1whr s ALA 209 N -5.86 3.95 0.18 3.86 0.00 -1.26 -4.44 121.76 118.18 1whr s ALA 209 Ca -0.15 -1.24 0.10 0.00 0.00 0.00 0.00 51.96 50.67 1whr s ALA 209 Cb 0.09 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 1whr s ALA 209 CO 0.64 0.22 -0.19 0.14 0.00 0.00 0.00 175.76 176.57 1whr s VAL 210 N -2.00 2.67 -0.11 0.00 -7.23 -1.26 -3.31 120.40 109.17 1whr s VAL 210 Ca 0.35 -1.85 0.03 0.00 -1.81 0.00 0.00 61.98 58.70 1whr s VAL 210 Cb -0.09 -2.29 -0.00 0.00 0.56 0.00 0.00 36.38 34.56 1whr s VAL 210 CO 0.29 -0.08 -0.21 -0.63 -0.31 0.00 0.00 175.10 174.16 1whr s ILE 211 N -1.60 2.32 0.15 -0.62 1.01 0.47 -2.78 121.20 120.15 1whr s ILE 211 Ca 0.22 -0.93 0.09 0.00 0.00 0.00 0.00 60.65 60.03 1whr s ILE 211 Cb -0.09 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1whr s ILE 211 CO 0.11 0.55 -0.16 0.27 0.00 0.00 0.00 174.94 175.72 1whr s ILE 212 N 0.33 2.90 0.44 2.92 -4.36 -0.33 0.36 121.20 123.46 1whr s ILE 212 Ca -0.16 -1.64 0.03 0.00 -0.26 0.00 0.00 60.65 58.61 1whr s ILE 212 Cb -0.17 -2.38 -0.03 0.00 1.25 0.00 0.00 42.46 41.12 1whr s ILE 212 CO 0.08 -0.01 0.05 0.54 0.24 0.00 0.00 174.94 175.84 1whr s ASN 213 N -2.49 3.42 -0.37 4.36 4.22 -1.25 -1.08 114.94 121.76 1whr s ASN 213 Ca 0.21 -1.59 -0.18 0.00 -2.14 0.00 0.00 52.86 49.16 1whr s ASN 213 Cb -0.09 0.33 0.00 0.00 1.28 0.00 0.00 41.25 42.77 1whr s ASN 213 CO 0.12 -0.80 0.49 -0.75 -2.04 0.00 0.00 177.10 174.11 1whr s LYS 214 N -3.80 3.49 -0.04 3.55 2.47 -0.50 -4.72 119.74 120.20 1whr s LYS 214 Ca 0.19 -0.33 0.06 0.00 -1.56 0.00 0.00 55.97 54.33 1whr s LYS 214 Cb 0.04 -3.85 -0.01 0.00 -1.46 0.00 0.00 37.83 32.55 1whr s LYS 214 CO 0.10 -0.69 -0.21 0.95 0.16 0.00 0.00 175.35 175.66 1whr s THR 215 N 2.32 1.69 0.21 3.43 -4.23 -1.26 -5.03 115.64 112.77 1whr s THR 215 Ca 0.17 -0.88 -0.13 0.00 -1.18 0.00 0.00 61.69 59.67 1whr s THR 215 Cb -0.16 -1.42 0.22 0.00 1.34 0.00 0.00 72.50 72.48 1whr s THR 215 CO 0.14 0.48 1.64 0.77 -0.54 0.00 0.00 174.62 177.10 1whr h SER 216 N 5.97 -0.47 -1.45 3.99 4.64 -1.97 0.25 113.55 124.50 1whr h SER 216 Ca -0.35 0.18 0.44 0.00 -0.47 0.00 0.00 61.79 61.59 1whr h SER 216 Cb 1.16 0.35 -0.10 0.00 -0.31 0.00 0.00 62.40 63.50 1whr h SER 216 CO 0.48 -0.18 0.99 0.78 -0.87 0.00 0.00 176.83 178.03 1whr h ASN 217 N 0.04 0.15 -2.62 4.97 4.21 -1.96 -3.38 115.58 116.99 1whr h ASN 217 Ca 0.31 0.07 -0.55 0.00 1.21 0.00 0.00 56.30 57.34 1whr h ASN 217 Cb 0.49 0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.74 1whr h ASN 217 CO -0.60 -0.08 1.08 -0.89 -1.29 0.00 0.00 177.43 175.65 1whr s THR 218 N -5.14 3.56 0.19 2.81 2.01 0.87 -4.79 115.64 115.15 1whr s THR 218 Ca -0.07 0.70 -0.01 0.00 0.31 0.00 0.00 61.69 62.63 1whr s THR 218 Cb 0.27 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1whr s THR 218 CO 0.84 -0.06 0.10 0.00 -0.69 0.00 0.00 174.62 174.81 1whr s ARG 219 N 3.96 1.17 0.27 4.92 1.04 -0.54 -4.93 118.95 124.83 1whr s ARG 219 Ca 0.73 -1.60 -0.29 0.00 -1.04 0.00 0.00 55.73 53.52 1whr s ARG 219 Cb -0.34 0.16 -0.09 0.00 -2.04 0.00 0.00 34.95 32.64 1whr s ARG 219 CO 0.30 -0.34 1.20 0.42 -0.04 0.00 0.00 175.30 176.84 1whr s ILE 220 N -4.05 3.25 1.22 4.99 1.01 -1.26 -4.63 121.20 121.73 1whr s ILE 220 Ca 0.35 1.19 -0.20 0.00 0.00 0.00 0.00 60.65 61.99 1whr s ILE 220 Cb 0.07 -3.76 0.30 0.00 0.01 0.00 0.00 42.46 39.08 1whr s ILE 220 CO 0.10 0.25 1.11 -2.16 0.00 0.00 0.00 174.94 174.24 1whr s PRO 221 N -1.17 -1.38 0.02 2.79 0.04 -1.26 -4.99 135.00 129.05 1whr s PRO 221 Ca 0.49 -0.12 -0.19 0.00 0.04 0.00 0.00 61.00 61.22 1whr s PRO 221 Cb -0.35 -1.58 -0.21 0.00 0.04 0.00 0.00 34.50 32.40 1whr s PRO 221 CO 0.43 -3.81 1.16 0.93 0.04 0.00 0.00 177.00 175.76 1whr h GLU 222 N -2.65 0.46 -4.25 4.56 5.08 -1.97 -3.46 114.58 112.36 1whr h GLU 222 Ca -0.44 -0.44 -0.26 0.00 -1.00 0.00 0.00 59.36 57.22 1whr h GLU 222 Cb 1.29 0.11 -0.25 0.00 0.50 0.00 0.00 28.75 30.40 1whr h GLU 222 CO 0.32 1.08 -0.73 -0.65 -1.00 0.00 0.00 179.01 178.03 1whr s GLN 223 N -3.42 0.37 0.63 2.33 -0.21 -1.26 -5.16 119.66 112.93 1whr s GLN 223 Ca -0.13 -0.43 -0.11 0.00 0.02 0.00 0.00 55.36 54.72 1whr s GLN 223 Cb 0.04 -0.21 0.15 0.00 1.00 0.00 0.00 33.01 33.99 1whr s GLN 223 CO 0.83 0.04 0.78 0.54 -2.12 0.00 0.00 175.29 175.36 1whr n ARG 224 N 2.22 -1.11 0.08 2.91 5.12 -1.26 -4.97 116.66 119.65 1whr n ARG 224 Ca -0.18 -1.22 -0.17 0.00 -1.93 0.00 0.00 57.85 54.35 1whr n ARG 224 Cb 0.57 -0.87 -0.09 0.00 -1.16 0.00 0.00 32.46 30.90 1whr n ARG 224 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 1whr h PHE 225 N -1.63 0.76 0.00 -1.55 -1.00 -2.01 -3.22 116.94 108.28 1whr h PHE 225 Ca -0.26 -0.46 -0.08 0.00 2.81 0.00 0.00 57.97 59.98 1whr h PHE 225 Cb 0.73 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 40.21 1whr h PHE 225 CO 0.00 1.30 -0.39 1.03 -1.61 0.00 0.00 178.31 178.63 1whr h SER 226 N 0.24 0.00 0.61 2.17 0.87 -1.96 -2.77 113.55 112.71 1whr h SER 226 Ca -0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1whr h SER 226 Cb 1.75 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.71 1whr h SER 226 CO 0.20 0.39 0.00 -0.33 -0.53 0.00 0.00 176.83 176.56 1whr h GLU 227 N 0.00 0.00 0.00 2.24 4.39 -1.93 0.77 114.58 120.05 1whr h GLU 227 Ca -0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.56 1whr h GLU 227 Cb 0.92 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.55 1whr h GLU 227 CO 0.05 0.00 -0.87 0.45 -1.16 0.00 0.00 179.01 177.48 1whr h HIS 228 N 0.00 0.00 0.00 4.33 3.86 -1.58 -3.33 115.15 118.43 1whr h HIS 228 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1whr h HIS 228 Cb 0.30 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.73 1whr h HIS 228 CO 0.00 0.56 -0.43 0.44 0.86 0.00 0.00 177.93 179.37 1whr n ILE 229 N -3.11 1.77 -1.53 2.45 -6.64 -0.77 -5.04 119.36 106.49 1whr n ILE 229 Ca -0.02 -2.58 -0.46 0.00 -1.77 0.00 0.00 62.75 57.91 1whr n ILE 229 Cb 0.79 -0.07 -0.05 0.00 -1.44 0.00 0.00 39.64 38.87 1whr n ILE 229 CO 0.00 0.00 0.00 1.17 -1.77 0.00 0.00 176.55 175.95 1whr n LYS 230 N -0.97 1.57 -1.81 6.28 0.00 0.19 -4.94 118.16 118.48 1whr n LYS 230 Ca 0.16 0.43 -0.29 0.00 0.00 0.00 0.00 58.31 58.61 1whr n LYS 230 Cb 0.73 -2.89 0.09 0.00 0.00 0.00 0.00 35.03 32.96 1whr n LYS 230 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1whr s ASP 231 N 7.86 4.42 -0.07 3.14 2.15 -1.26 -5.02 116.67 127.88 1whr s ASP 231 Ca 1.05 0.88 -0.20 0.00 0.43 0.00 0.00 52.55 54.70 1whr s ASP 231 Cb -0.57 -1.43 -0.16 0.00 -0.30 0.00 0.00 42.92 40.46 1whr s ASP 231 CO 0.41 -1.97 0.76 -0.08 -0.17 0.00 0.00 175.17 174.12 1whr h GLU 232 N -1.10 -0.13 -5.09 4.34 4.81 -2.04 -3.44 114.58 111.93 1whr h GLU 232 Ca -0.47 0.01 -0.62 0.00 -0.13 0.00 0.00 59.36 58.15 1whr h GLU 232 Cb 1.32 0.03 -0.15 0.00 0.63 0.00 0.00 28.75 30.58 1whr h GLU 232 CO 0.65 0.36 -0.51 0.21 -0.73 0.00 0.00 179.01 178.98 1whr s LYS 233 N -2.99 4.05 -0.30 1.92 2.20 -1.26 -5.04 119.74 118.32 1whr s LYS 233 Ca -0.12 -0.28 -0.17 0.00 -0.36 0.00 0.00 55.97 55.03 1whr s LYS 233 Cb -0.00 -3.51 0.18 0.00 -1.51 0.00 0.00 37.83 32.99 1whr s LYS 233 CO 0.47 0.06 1.15 1.21 -0.36 0.00 0.00 175.35 177.88 1whr s ASN 234 N 1.04 -0.28 0.02 1.43 3.84 -1.26 -5.17 114.94 114.56 1whr s ASN 234 Ca 0.07 0.40 0.07 0.00 0.21 0.00 0.00 52.86 53.61 1whr s ASN 234 Cb -0.13 1.27 -0.03 0.00 -0.55 0.00 0.00 41.25 41.80 1whr s ASN 234 CO 0.04 -0.06 -0.18 0.28 -2.79 0.00 0.00 177.10 174.39 1whr s THR 235 N 1.91 2.74 -0.05 -5.21 -1.32 -1.26 -5.12 115.64 107.33 1whr s THR 235 Ca -0.03 -1.12 -0.02 0.00 -1.21 0.00 0.00 61.69 59.31 1whr s THR 235 Cb -0.03 -2.13 0.03 0.00 -1.51 0.00 0.00 72.50 68.86 1whr s THR 235 CO -0.15 0.39 0.03 -0.70 -2.21 0.00 0.00 174.62 171.98 1whr s GLU 236 N -1.27 0.21 -0.30 7.08 2.12 -1.26 -5.12 118.70 120.17 1whr s GLU 236 Ca 0.14 0.26 -0.16 0.00 0.36 0.00 0.00 54.97 55.56 1whr s GLU 236 Cb -0.10 -0.69 0.17 0.00 0.26 0.00 0.00 34.13 33.77 1whr s GLU 236 CO 0.04 -0.31 1.10 -0.59 -0.54 0.00 0.00 175.26 174.96 1whr s PHE 237 N 2.03 -0.38 -0.99 5.30 -0.71 -1.26 -4.96 117.98 117.02 1whr s PHE 237 Ca 0.04 0.73 0.00 0.00 -1.04 0.00 0.00 56.93 56.66 1whr s PHE 237 Cb -0.12 0.23 0.00 0.00 -1.21 0.00 0.00 43.02 41.92 1whr s PHE 237 CO -0.04 -0.19 0.00 0.94 -1.34 0.00 0.00 175.22 174.59 1whr n GLN 238 N 3.81 -0.82 -2.77 1.99 7.27 -1.26 -4.94 117.38 120.66 1whr n GLN 238 Ca -0.15 0.63 -0.43 0.00 0.07 0.00 0.00 57.00 57.12 1whr n GLN 238 Cb 0.56 -4.69 -0.01 0.00 2.41 0.00 0.00 30.24 28.52 1whr n GLN 238 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1whr s GLN 239 N -4.03 3.97 -1.62 3.69 2.00 -1.26 -4.50 119.66 117.91 1whr s GLN 239 Ca 0.00 -2.16 -0.07 0.00 -2.00 0.00 0.00 55.36 51.13 1whr s GLN 239 Cb 0.00 -5.25 0.07 0.00 0.80 0.00 0.00 33.01 28.62 1whr s GLN 239 CO 0.00 -1.99 0.26 2.89 -0.50 0.00 0.00 175.29 175.95 1whr n ARG 240 N 7.04 -1.43 -2.25 1.67 1.85 -1.26 -4.77 116.66 117.50 1whr n ARG 240 Ca 0.40 0.17 -0.33 0.00 -1.00 0.00 0.00 57.85 57.09 1whr n ARG 240 Cb 0.45 -4.10 -0.04 0.00 -1.05 0.00 0.00 32.46 27.72 1whr n ARG 240 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1whr s PHE 241 N -3.98 2.15 -0.28 2.89 0.40 -1.26 -4.83 117.98 113.05 1whr s PHE 241 Ca 0.25 -0.07 -0.25 0.00 -0.60 0.00 0.00 56.93 56.26 1whr s PHE 241 Cb -0.14 -4.30 0.16 0.00 0.51 0.00 0.00 43.02 39.25 1whr s PHE 241 CO 0.98 -1.71 1.24 -1.50 0.70 0.00 0.00 175.22 174.94 1whr s ILE 242 N 8.16 0.00 0.20 0.64 -1.16 -1.26 -5.11 121.20 122.68 1whr s ILE 242 Ca 0.61 0.00 -0.22 0.00 -0.51 0.00 0.00 60.65 60.53 1whr s ILE 242 Cb -0.03 -1.00 0.07 0.00 0.61 0.00 0.00 42.46 42.11 1whr s ILE 242 CO 0.00 0.00 0.98 -1.48 -2.81 0.00 0.00 174.94 171.63 1whr s LEU 243 N 0.02 -0.06 0.05 8.50 -0.00 -1.26 -5.18 118.68 120.75 1whr s LEU 243 Ca 0.05 -0.64 0.07 0.00 -0.00 0.00 0.00 54.13 53.61 1whr s LEU 243 Cb -0.05 2.22 -0.03 0.00 -0.00 0.00 0.00 46.19 48.33 1whr s LEU 243 CO -0.10 -1.06 -0.20 -0.94 -0.00 0.00 0.00 176.35 174.05 1whr s SER 244 N -3.20 2.36 -0.49 1.48 1.04 -1.26 -5.10 113.70 108.53 1whr s SER 244 Ca 0.18 -0.52 0.04 0.00 0.48 0.00 0.00 55.95 56.12 1whr s SER 244 Cb -0.03 -0.19 0.16 0.00 0.10 0.00 0.00 66.02 66.07 1whr s SER 244 CO 0.05 0.13 0.36 -0.83 0.98 0.00 0.00 173.24 173.93 1whr s GLY 245 N -1.22 1.74 0.00 7.32 0.00 -1.26 -5.12 107.32 108.78 1whr s GLY 245 Ca 0.07 -2.82 0.00 0.00 0.00 0.00 0.00 44.72 41.96 1whr s GLY 245 CO 0.02 1.74 0.00 -1.55 0.00 0.00 0.00 173.10 173.30 1whr n PRO 246 N 2.79 -0.52 -2.32 2.90 -0.04 -1.26 -4.99 135.00 131.57 1whr n PRO 246 Ca 0.22 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.43 1whr n PRO 246 Cb 0.41 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.88 1whr n PRO 246 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1whr n SER 247 N -2.26 4.74 -4.68 3.54 2.88 -1.26 -4.91 113.62 111.67 1whr n SER 247 Ca 0.00 -3.71 -0.45 0.00 -1.33 0.00 0.00 58.87 53.38 1whr n SER 247 Cb 0.00 -0.42 -0.04 0.00 -0.75 0.00 0.00 64.21 63.01 1whr n SER 247 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1whr n SER 248 N -0.56 3.63 0.00 -3.46 7.64 -1.26 -4.97 113.62 114.64 1whr n SER 248 Ca 0.40 1.02 0.00 0.00 1.01 0.00 0.00 58.87 61.30 1whr n SER 248 Cb 0.78 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 1whr n SER 248 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64