#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 1.43 0.13 1.61 0.01 -1.26 -4.52 113.70 111.10 1whr s SER 127 Ca 0.00 -0.91 0.09 0.00 1.31 0.00 0.00 55.95 56.44 1whr s SER 127 Cb 0.00 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.22 1whr s SER 127 CO 0.00 -0.33 -0.22 -0.94 0.41 0.00 0.00 173.24 172.15 1whr s SER 128 N -2.77 2.85 0.12 2.44 1.04 -1.26 -5.08 113.70 111.04 1whr s SER 128 Ca 0.10 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1whr s SER 128 Cb 0.01 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1whr s SER 128 CO -0.01 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1whr n GLY 129 N 0.83 -1.80 3.42 7.32 0.00 -1.26 -5.03 105.19 108.67 1whr n GLY 129 Ca -0.17 -1.41 0.02 0.00 0.00 0.00 0.00 46.02 44.45 1whr n GLY 129 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1whr s SER 130 N -4.55 -0.37 0.32 1.61 0.15 -1.26 -5.18 113.70 104.42 1whr s SER 130 Ca 0.00 0.53 0.05 0.00 0.70 0.00 0.00 55.95 57.23 1whr s SER 130 Cb 0.00 1.35 -0.03 0.00 -1.71 0.00 0.00 66.02 65.63 1whr s SER 130 CO 0.00 -0.08 0.20 -0.44 1.20 0.00 0.00 173.24 174.13 1whr s SER 131 N 1.98 1.68 0.00 5.45 0.01 -1.26 -5.16 113.70 116.41 1whr s SER 131 Ca -0.04 -1.65 0.00 0.00 1.31 0.00 0.00 55.95 55.57 1whr s SER 131 Cb -0.04 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.68 1whr s SER 131 CO -0.16 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.13 1whr n GLY 132 N -0.63 1.39 3.60 3.44 0.00 -1.26 -5.19 105.19 106.54 1whr n GLY 132 Ca 0.03 0.48 -0.09 0.00 0.00 0.00 0.00 46.02 46.44 1whr n GLY 132 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1whr s THR 133 N 0.00 0.00 -0.08 2.61 -1.32 -1.26 -5.17 115.64 110.43 1whr s THR 133 Ca 0.00 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.52 1whr s THR 133 Cb 0.00 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 1whr s THR 133 CO 0.00 0.00 -0.21 -1.81 -2.21 0.00 0.00 174.62 170.39 1whr s ASP 134 N -0.86 3.42 -0.03 8.08 1.01 -1.26 -5.11 116.67 121.91 1whr s ASP 134 Ca 0.01 -0.43 -0.29 0.00 0.71 0.00 0.00 52.55 52.55 1whr s ASP 134 Cb -0.01 -1.09 0.10 0.00 1.01 0.00 0.00 42.92 42.93 1whr s ASP 134 CO -0.01 0.23 0.87 -0.44 0.21 0.00 0.00 175.17 176.03 1whr s SER 135 N -0.07 -0.41 0.19 0.27 0.01 -1.26 -5.18 113.70 107.25 1whr s SER 135 Ca -0.05 0.15 0.10 0.00 1.31 0.00 0.00 55.95 57.46 1whr s SER 135 Cb -0.14 0.40 -0.04 0.00 0.21 0.00 0.00 66.02 66.44 1whr s SER 135 CO 0.04 -0.58 -0.21 0.28 0.41 0.00 0.00 173.24 173.18 1whr s THR 136 N -2.55 2.14 0.08 1.44 -1.32 -1.26 -4.99 115.64 109.17 1whr s THR 136 Ca 0.02 -2.03 0.00 0.00 -1.21 0.00 0.00 61.69 58.47 1whr s THR 136 Cb -0.01 -2.03 0.00 0.00 -1.51 0.00 0.00 72.50 68.96 1whr s THR 136 CO -0.05 -0.24 0.00 0.61 -2.21 0.00 0.00 174.62 172.73 1whr n GLY 137 N 0.17 -1.26 3.84 6.08 0.00 -1.26 -5.15 105.19 107.61 1whr n GLY 137 Ca -0.12 0.47 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 1whr n GLY 137 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1whr s ILE 138 N -2.00 4.55 -0.51 -0.61 -4.36 -1.26 -5.02 121.20 111.98 1whr s ILE 138 Ca 0.00 1.18 -0.20 0.00 -0.26 0.00 0.00 60.65 61.36 1whr s ILE 138 Cb 0.00 -3.67 0.05 0.00 1.25 0.00 0.00 42.46 40.10 1whr s ILE 138 CO 0.00 -0.47 0.69 -1.81 0.24 0.00 0.00 174.94 173.59 1whr s ASP 139 N -2.68 6.25 -0.09 4.36 1.01 -1.26 -4.93 116.67 119.33 1whr s ASP 139 Ca 0.58 -0.77 -0.06 0.00 0.71 0.00 0.00 52.55 53.01 1whr s ASP 139 Cb -0.10 -2.32 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 1whr s ASP 139 CO 0.23 -0.96 0.22 -0.07 0.21 0.00 0.00 175.17 174.80 1whr h LEU 140 N 9.97 -0.09 -0.67 1.23 3.38 -2.00 -3.30 115.31 123.83 1whr h LEU 140 Ca -0.27 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.66 1whr h LEU 140 Cb 1.09 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.78 1whr h LEU 140 CO 0.99 0.44 -0.39 1.57 0.09 0.00 0.00 178.44 181.13 1whr n HIS 141 N -4.84 -0.29 -0.24 1.13 -0.00 -1.26 0.95 115.22 110.67 1whr n HIS 141 Ca -0.02 0.83 0.00 0.00 0.46 0.00 0.00 57.72 58.99 1whr n HIS 141 Cb 0.09 -0.54 0.07 0.00 -0.12 0.00 0.00 29.99 29.49 1whr n HIS 141 CO 0.00 0.00 0.00 1.49 0.46 0.00 0.00 176.34 178.29 1whr h GLU 142 N 0.00 -0.01 -0.39 1.57 4.81 -2.00 0.79 114.58 119.34 1whr h GLU 142 Ca 0.11 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1whr h GLU 142 Cb 0.27 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 1whr h GLU 142 CO -0.63 -0.01 0.14 0.35 -0.73 0.00 0.00 179.01 178.14 1whr h PHE 143 N -0.01 0.25 -0.18 0.92 3.57 0.51 -2.04 116.94 119.96 1whr h PHE 143 Ca 0.33 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.90 1whr h PHE 143 Cb 0.52 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.15 1whr h PHE 143 CO -0.57 0.10 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.34 1whr h LEU 144 N 0.30 -0.63 0.18 0.59 3.38 0.71 -2.27 115.31 117.58 1whr h LEU 144 Ca 0.18 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1whr h LEU 144 Cb 0.16 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1whr h LEU 144 CO -0.18 -0.25 -0.19 0.58 0.09 0.00 0.00 178.44 178.49 1whr h VAL 145 N -0.23 0.00 -0.80 1.22 2.07 -0.94 -2.29 116.25 115.28 1whr h VAL 145 Ca 0.11 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.71 1whr h VAL 145 Cb 0.40 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.07 1whr h VAL 145 CO -0.31 0.00 -0.46 -3.20 0.02 0.00 0.00 177.57 173.62 1whr n ASN 146 N -3.51 -0.82 -0.20 0.57 2.85 -0.80 0.50 115.26 113.85 1whr n ASN 146 Ca -0.04 1.42 -0.02 0.00 -0.11 0.00 0.00 54.58 55.83 1whr n ASN 146 Cb 0.17 -0.20 0.04 0.00 1.24 0.00 0.00 39.78 41.04 1whr n ASN 146 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1whr h THR 147 N 0.00 0.32 -0.84 -0.44 2.02 -1.29 1.17 112.91 113.86 1whr h THR 147 Ca 0.14 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.51 1whr h THR 147 Cb 0.34 0.32 -0.06 0.00 -1.74 0.00 0.00 68.15 67.02 1whr h THR 147 CO -0.76 0.00 0.56 -0.07 0.37 0.00 0.00 175.52 175.63 1whr h LEU 148 N -0.06 0.35 0.00 2.58 3.38 0.64 0.76 115.31 122.96 1whr h LEU 148 Ca 0.27 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1whr h LEU 148 Cb 0.48 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1whr h LEU 148 CO -0.64 0.16 0.00 0.29 0.09 0.00 0.00 178.44 178.34 1whr n LYS 149 N -4.47 0.00 -0.30 1.13 5.02 0.13 -3.86 118.16 115.80 1whr n LYS 149 Ca 0.17 0.19 0.35 0.00 -2.02 0.00 0.00 58.31 57.00 1whr n LYS 149 Cb 0.66 -0.65 0.74 0.00 -0.02 0.00 0.00 35.03 35.75 1whr n LYS 149 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1whr h LYS 150 N 0.00 0.00 -2.95 1.97 2.10 0.11 -2.93 116.57 114.87 1whr h LYS 150 Ca 0.00 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.04 1whr h LYS 150 Cb 0.00 0.00 -0.41 0.00 -0.90 0.00 0.00 32.23 30.92 1whr h LYS 150 CO 0.00 0.00 -0.67 -0.80 -2.00 0.00 0.00 179.45 175.98 1whr s ASN 151 N -4.97 4.01 0.37 7.07 -0.87 0.26 -4.93 114.94 115.90 1whr s ASN 151 Ca -0.05 -3.54 0.16 0.00 -1.57 0.00 0.00 52.86 47.87 1whr s ASN 151 Cb 0.22 -1.35 0.73 0.00 -0.02 0.00 0.00 41.25 40.83 1whr s ASN 151 CO 0.76 -0.13 1.78 1.55 -2.57 0.00 0.00 177.10 178.50 1whr h PRO 152 N 5.63 0.00 -0.18 -0.60 0.13 -1.62 -2.81 132.00 132.55 1whr h PRO 152 Ca 0.14 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1whr h PRO 152 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1whr h PRO 152 CO 0.63 0.38 0.06 0.00 -0.23 0.00 0.00 178.00 178.84 1whr h ARG 153 N 0.00 0.25 0.00 0.86 3.08 -1.90 -1.37 114.38 115.30 1whr h ARG 153 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1whr h ARG 153 Cb 0.79 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1whr h ARG 153 CO 0.05 0.23 -0.81 -0.25 -1.07 0.00 0.00 179.97 178.12 1whr n ASP 154 N -4.44 0.67 -0.40 7.04 9.92 -1.12 -4.45 116.55 123.76 1whr n ASP 154 Ca -0.00 -0.42 -0.11 0.00 -0.53 0.00 0.00 54.79 53.73 1whr n ASP 154 Cb 0.13 0.62 -0.09 0.00 -0.64 0.00 0.00 41.12 41.14 1whr n ASP 154 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1whr h ARG 155 N 0.00 -0.02 0.69 -1.24 2.43 -0.99 0.95 114.38 116.20 1whr h ARG 155 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1whr h ARG 155 Cb 0.58 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1whr h ARG 155 CO 0.00 -0.01 -0.34 0.00 -1.51 0.00 0.00 179.97 178.11 1whr h MET 156 N -0.02 -0.90 -0.99 0.20 -0.00 -1.78 -2.14 114.93 109.30 1whr h MET 156 Ca 0.16 0.06 0.13 0.00 -0.00 0.00 0.00 59.70 60.06 1whr h MET 156 Cb 0.43 0.20 -0.15 0.00 -0.00 0.00 0.00 31.60 32.09 1whr h MET 156 CO -0.92 -0.60 -0.44 -0.12 -0.00 0.00 0.00 176.91 174.82 1whr n MET 157 N -5.49 -0.29 0.31 -0.10 0.00 -0.55 -0.91 117.12 110.09 1whr n MET 157 Ca -0.14 1.51 -0.18 0.00 -0.00 0.00 0.00 57.70 58.90 1whr n MET 157 Cb 0.38 -2.24 -0.09 0.00 0.00 0.00 0.00 33.22 31.27 1whr n MET 157 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1whr h LEU 158 N 0.00 -1.20 -0.87 -0.89 3.38 -0.77 -2.06 115.31 112.91 1whr h LEU 158 Ca 0.29 0.09 0.19 0.00 0.09 0.00 0.00 57.88 58.54 1whr h LEU 158 Cb 0.54 0.38 -0.16 0.00 0.09 0.00 0.00 40.66 41.51 1whr h LEU 158 CO -0.97 -0.64 -0.16 -0.07 0.09 0.00 0.00 178.44 176.70 1whr h LEU 159 N -0.98 -0.71 0.01 1.67 3.38 -0.41 0.13 115.31 118.41 1whr h LEU 159 Ca -0.06 0.26 0.02 0.00 0.09 0.00 0.00 57.88 58.18 1whr h LEU 159 Cb 0.83 0.51 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 1whr h LEU 159 CO -0.01 -0.28 -0.16 0.50 0.09 0.00 0.00 178.44 178.58 1whr h LYS 160 N 0.01 -0.26 -0.12 1.13 1.63 -0.69 -0.79 116.57 117.49 1whr h LYS 160 Ca 0.44 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 60.29 1whr h LYS 160 Cb 0.73 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 32.36 1whr h LYS 160 CO -0.87 -0.17 -0.49 -0.07 -3.45 0.00 0.00 179.45 174.41 1whr h LEU 161 N -0.27 -1.54 -0.87 5.20 3.38 -0.06 0.23 115.31 121.39 1whr h LEU 161 Ca 0.05 0.18 0.15 0.00 0.09 0.00 0.00 57.88 58.35 1whr h LEU 161 Cb 0.32 0.60 -0.09 0.00 0.09 0.00 0.00 40.66 41.58 1whr h LEU 161 CO -0.14 -0.43 0.47 -0.08 0.09 0.00 0.00 178.44 178.34 1whr h GLU 162 N -0.52 0.65 -0.27 1.13 4.22 -1.22 -0.07 114.58 118.49 1whr h GLU 162 Ca 0.03 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1whr h GLU 162 Cb 0.61 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1whr h GLU 162 CO -0.39 0.43 0.17 0.37 -2.18 0.00 0.00 179.01 177.41 1whr h GLN 163 N 0.67 0.37 -0.36 1.92 4.15 0.21 -1.81 115.11 120.26 1whr h GLN 163 Ca 0.47 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.82 1whr h GLN 163 Cb 0.65 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 1whr h GLN 163 CO -0.35 0.26 0.03 0.93 -1.93 0.00 0.00 178.83 177.77 1whr h GLU 164 N 0.36 0.54 -0.64 1.69 4.39 0.60 -2.37 114.58 119.16 1whr h GLU 164 Ca 0.10 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 1whr h GLU 164 Cb -0.02 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 1whr h GLU 164 CO -0.02 0.55 0.09 0.82 -1.16 0.00 0.00 179.01 179.29 1whr h ILE 165 N 0.53 1.26 0.21 3.13 2.04 -0.56 -0.43 117.51 123.68 1whr h ILE 165 Ca 0.12 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1whr h ILE 165 Cb 0.29 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1whr h ILE 165 CO 0.01 0.38 -0.10 -0.07 0.00 0.00 0.00 178.15 178.37 1whr h LEU 166 N 0.99 -0.24 -1.37 1.44 3.38 -0.94 -1.66 115.31 116.91 1whr h LEU 166 Ca 0.19 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1whr h LEU 166 Cb 0.44 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1whr h LEU 166 CO 0.01 0.09 0.37 1.05 0.09 0.00 0.00 178.44 180.06 1whr h GLU 167 N -0.60 0.80 0.62 1.13 4.11 -1.41 -2.14 114.58 117.08 1whr h GLU 167 Ca -0.03 -0.06 -0.03 0.00 0.07 0.00 0.00 59.36 59.31 1whr h GLU 167 Cb 0.44 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.52 1whr h GLU 167 CO 0.05 0.55 -0.30 0.35 0.07 0.00 0.00 179.01 179.73 1whr h PHE 168 N 0.82 -0.77 -0.91 2.06 3.57 -0.99 -0.70 116.94 120.01 1whr h PHE 168 Ca 0.22 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.86 1whr h PHE 168 Cb -0.06 0.25 -0.10 0.00 2.79 0.00 0.00 35.95 38.84 1whr h PHE 168 CO 0.00 -0.43 0.50 0.82 -2.23 0.00 0.00 178.31 176.97 1whr h ILE 169 N -1.02 0.72 -0.50 1.41 2.04 -1.15 0.08 117.51 119.08 1whr h ILE 169 Ca -0.08 -0.23 -0.10 0.00 1.00 0.00 0.00 64.86 65.44 1whr h ILE 169 Cb 0.68 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1whr h ILE 169 CO 0.14 0.12 -0.09 -1.13 0.00 0.00 0.00 178.15 177.19 1whr h ASN 170 N 0.68 0.90 -2.76 1.72 -0.73 -1.30 -3.41 115.58 110.68 1whr h ASN 170 Ca 0.51 -0.28 -0.58 0.00 1.87 0.00 0.00 56.30 57.83 1whr h ASN 170 Cb 0.75 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 39.07 1whr h ASN 170 CO -0.37 1.01 1.24 -0.62 -0.37 0.00 0.00 177.43 178.32 1whr s ASP 171 N -6.66 5.98 0.27 1.15 -1.08 0.01 -4.86 116.67 111.49 1whr s ASP 171 Ca -0.10 1.26 0.07 0.00 -0.52 0.00 0.00 52.55 53.26 1whr s ASP 171 Cb 0.14 -2.53 0.38 0.00 -1.46 0.00 0.00 42.92 39.45 1whr s ASP 171 CO 0.84 -1.64 1.64 -0.55 0.52 0.00 0.00 175.17 175.97 1whr h ASN 172 N 12.45 0.17 -0.53 -0.34 7.08 -1.80 -3.16 115.58 129.45 1whr h ASN 172 Ca -0.33 -0.09 0.08 0.00 -3.08 0.00 0.00 56.30 52.89 1whr h ASN 172 Cb 1.16 -0.05 -0.07 0.00 -2.08 0.00 0.00 38.32 37.28 1whr h ASN 172 CO 1.04 0.67 0.15 -1.13 -2.08 0.00 0.00 177.43 176.08 1whr h ASN 173 N 0.12 0.10 -3.45 6.14 -0.00 -1.92 -3.38 115.58 113.19 1whr h ASN 173 Ca 0.00 0.08 -0.60 0.00 -0.00 0.00 0.00 56.30 55.78 1whr h ASN 173 Cb 0.98 0.09 -0.10 0.00 -0.00 0.00 0.00 38.32 39.29 1whr h ASN 173 CO 0.08 0.08 0.42 0.20 -0.00 0.00 0.00 177.43 178.21 1whr s ASN 174 N -5.35 6.65 -0.12 1.15 0.01 -1.19 -4.91 114.94 111.18 1whr s ASN 174 Ca -0.13 0.61 0.09 0.00 -0.71 0.00 0.00 52.86 52.72 1whr s ASN 174 Cb 0.16 -2.41 -0.24 0.00 0.41 0.00 0.00 41.25 39.17 1whr s ASN 174 CO 0.73 -0.66 0.38 0.00 -1.51 0.00 0.00 177.10 176.04 1whr n GLN 175 N 6.31 0.67 -4.33 -0.60 6.02 -1.26 -4.87 117.38 119.33 1whr n GLN 175 Ca 0.04 0.21 -0.18 0.00 -0.01 0.00 0.00 57.00 57.05 1whr n GLN 175 Cb 0.48 -1.69 -0.10 0.00 1.02 0.00 0.00 30.24 29.95 1whr n GLN 175 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1whr s PHE 176 N -2.56 1.66 -0.12 1.08 0.40 -1.26 -3.41 117.98 113.77 1whr s PHE 176 Ca -0.13 -0.57 -0.04 0.00 -0.60 0.00 0.00 56.93 55.60 1whr s PHE 176 Cb 0.07 -0.79 0.05 0.00 0.51 0.00 0.00 43.02 42.87 1whr s PHE 176 CO 0.79 0.31 0.10 0.21 0.70 0.00 0.00 175.22 177.34 1whr s LYS 177 N -3.45 0.03 -0.17 0.44 2.20 -0.86 -5.01 119.74 112.92 1whr s LYS 177 Ca 0.20 0.17 -0.00 0.00 -0.36 0.00 0.00 55.97 55.98 1whr s LYS 177 Cb -0.02 -1.16 -0.00 0.00 -1.51 0.00 0.00 37.83 35.14 1whr s LYS 177 CO 0.06 -0.52 -0.14 -1.59 -0.36 0.00 0.00 175.35 172.80 1whr s LYS 178 N 2.19 3.22 0.40 4.03 -2.85 -1.26 -0.70 119.74 124.76 1whr s LYS 178 Ca 0.04 -0.74 -0.15 0.00 -1.00 0.00 0.00 55.97 54.12 1whr s LYS 178 Cb -0.14 -2.67 -0.08 0.00 -2.06 0.00 0.00 37.83 32.88 1whr s LYS 178 CO -0.07 -0.03 0.82 -0.06 0.10 0.00 0.00 175.35 176.11 1whr s PHE 179 N 0.94 3.41 0.00 1.78 0.08 -1.13 -5.03 117.98 118.03 1whr s PHE 179 Ca -0.03 1.26 0.00 0.00 0.12 0.00 0.00 56.93 58.28 1whr s PHE 179 Cb -0.15 -2.59 0.00 0.00 -0.57 0.00 0.00 43.02 39.71 1whr s PHE 179 CO -0.02 -0.09 0.00 -0.35 -0.10 0.00 0.00 175.22 174.66 1whr n PRO 180 N -0.95 -0.81 -1.78 0.24 -0.04 -1.26 -4.45 135.00 125.96 1whr n PRO 180 Ca 0.04 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.09 1whr n PRO 180 Cb 0.54 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.98 1whr n PRO 180 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1whr s GLN 181 N -2.68 4.12 0.32 0.54 -0.21 -1.26 -4.77 119.66 115.72 1whr s GLN 181 Ca 0.00 2.58 0.03 0.00 0.02 0.00 0.00 55.36 57.99 1whr s GLN 181 Cb 0.00 -3.02 -0.05 0.00 1.00 0.00 0.00 33.01 30.93 1whr s GLN 181 CO 0.00 -0.63 0.08 -1.64 -2.12 0.00 0.00 175.29 170.98 1whr s MET 182 N -0.56 1.63 0.46 2.91 -1.94 -1.26 -5.11 119.30 115.43 1whr s MET 182 Ca 0.63 -1.92 0.08 0.00 -1.71 0.00 0.00 55.69 52.77 1whr s MET 182 Cb -0.48 -0.67 0.01 0.00 2.01 0.00 0.00 34.83 35.71 1whr s MET 182 CO 0.48 -0.26 0.51 -0.08 -0.01 0.00 0.00 175.02 175.67 1whr s THR 183 N -3.40 2.56 0.23 2.05 -1.32 -1.26 -4.86 115.64 109.63 1whr s THR 183 Ca 0.35 -1.19 -0.07 0.00 -1.21 0.00 0.00 61.69 59.56 1whr s THR 183 Cb 0.08 -2.75 0.20 0.00 -1.51 0.00 0.00 72.50 68.51 1whr s THR 183 CO 0.15 0.00 1.70 0.77 -2.21 0.00 0.00 174.62 175.03 1whr h SER 184 N 0.73 0.03 0.28 8.08 4.64 -2.02 0.20 113.55 125.49 1whr h SER 184 Ca -0.38 0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 1whr h SER 184 Cb 1.28 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 1whr h SER 184 CO 0.51 0.00 -0.13 0.22 -0.87 0.00 0.00 176.83 176.55 1whr h TYR 185 N 0.28 -0.34 -0.37 4.77 5.03 -2.01 -2.97 116.97 121.36 1whr h TYR 185 Ca 0.36 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.72 1whr h TYR 185 Cb 0.57 0.11 -0.08 0.00 1.55 0.00 0.00 36.73 38.88 1whr h TYR 185 CO -0.25 -0.21 -0.52 0.45 -1.32 0.00 0.00 178.16 176.30 1whr h HIS 186 N -0.40 -1.58 -0.76 -3.82 3.86 -1.91 -1.34 115.15 109.19 1whr h HIS 186 Ca -0.04 0.08 0.12 0.00 -1.16 0.00 0.00 60.37 59.36 1whr h HIS 186 Cb 0.28 0.74 -0.12 0.00 1.06 0.00 0.00 27.41 29.37 1whr h HIS 186 CO 0.14 -0.49 -0.30 -2.13 0.86 0.00 0.00 177.93 176.01 1whr n ARG 187 N -5.40 -0.19 0.18 2.45 0.63 0.70 0.39 116.66 115.43 1whr n ARG 187 Ca -0.03 1.17 -0.14 0.00 -0.92 0.00 0.00 57.85 57.93 1whr n ARG 187 Cb 0.35 -1.74 -0.07 0.00 0.45 0.00 0.00 32.46 31.45 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 -0.45 -0.64 -0.14 4.05 -1.10 -2.14 114.93 114.51 1whr h MET 188 Ca 0.26 0.03 0.12 0.00 -0.28 0.00 0.00 59.70 59.83 1whr h MET 188 Cb 0.45 0.10 -0.12 0.00 -0.80 0.00 0.00 31.60 31.23 1whr h MET 188 CO -0.75 -0.30 -0.29 -0.07 0.23 0.00 0.00 176.91 175.73 1whr h LEU 189 N -0.47 -1.02 -0.03 3.39 3.38 0.57 -0.65 115.31 120.49 1whr h LEU 189 Ca -0.02 0.23 0.03 0.00 0.09 0.00 0.00 57.88 58.21 1whr h LEU 189 Cb 0.40 0.54 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 1whr h LEU 189 CO 0.00 -0.28 -0.18 0.25 0.09 0.00 0.00 178.44 178.32 1whr h LEU 190 N -0.11 -0.55 -1.42 1.67 5.85 -0.93 -1.14 115.31 118.68 1whr h LEU 190 Ca 0.27 0.08 0.29 0.00 0.84 0.00 0.00 57.88 59.36 1whr h LEU 190 Cb 0.54 0.23 -0.09 0.00 0.37 0.00 0.00 40.66 41.72 1whr h LEU 190 CO -0.71 -0.24 0.70 0.45 -0.34 0.00 0.00 178.44 178.29 1whr h HIS 191 N -0.28 0.59 0.41 1.25 3.86 -0.47 -0.65 115.15 119.84 1whr h HIS 191 Ca 0.07 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1whr h HIS 191 Cb 0.37 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1whr h HIS 191 CO -0.25 0.03 -0.20 0.00 0.86 0.00 0.00 177.93 178.38 1whr h ARG 192 N 0.33 -0.53 -0.70 2.45 2.47 -0.30 -2.35 114.38 115.76 1whr h ARG 192 Ca 0.61 0.04 0.14 0.00 -1.26 0.00 0.00 59.98 59.50 1whr h ARG 192 Cb 1.66 0.12 -0.13 0.00 -1.65 0.00 0.00 29.97 29.96 1whr h ARG 192 CO -0.28 -0.35 -0.21 0.28 0.56 0.00 0.00 179.97 179.97 1whr h VAL 193 N -0.94 0.26 0.56 2.04 2.07 -0.64 -0.08 116.25 119.52 1whr h VAL 193 Ca -0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1whr h VAL 193 Cb 0.42 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1whr h VAL 193 CO 0.09 0.00 -0.49 0.00 0.02 0.00 0.00 177.57 177.19 1whr h ALA 194 N 1.60 -1.13 -1.04 1.67 0.00 -1.23 -1.69 119.26 117.44 1whr h ALA 194 Ca 0.33 -0.20 0.27 0.00 0.00 0.00 0.00 54.91 55.31 1whr h ALA 194 Cb 0.53 0.68 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 1whr h ALA 194 CO -0.73 -1.17 0.68 0.00 0.00 0.00 0.00 179.25 178.02 1whr h ALA 195 N -0.87 2.31 -0.02 0.00 0.00 -0.76 0.13 119.26 120.05 1whr h ALA 195 Ca -0.07 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1whr h ALA 195 Cb 0.88 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1whr h ALA 195 CO -0.02 -0.70 0.01 -0.92 0.00 0.00 0.00 179.25 177.61 1whr h TYR 196 N 0.36 0.04 0.00 0.00 3.20 -0.32 -2.53 116.97 117.72 1whr h TYR 196 Ca 0.58 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.44 1whr h TYR 196 Cb 1.54 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.80 1whr h TYR 196 CO -0.00 0.26 0.00 1.19 -1.64 0.00 0.00 178.16 177.97 1whr n PHE 197 N -4.95 0.02 -2.17 -3.82 3.01 -0.09 -4.90 117.46 104.56 1whr n PHE 197 Ca -0.07 0.01 -0.03 0.00 1.01 0.00 0.00 57.45 58.37 1whr n PHE 197 Cb 0.14 -0.51 0.01 0.00 -0.01 0.00 0.00 39.48 39.11 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 0.54 0.35 3.84 1.37 0.00 0.27 -3.04 105.19 108.51 1whr n GLY 198 Ca 0.05 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.09 3.04 -0.50 1.61 -1.94 -0.90 -3.66 119.30 112.86 1whr s MET 199 Ca 0.01 -0.87 -0.09 0.00 -1.71 0.00 0.00 55.69 53.03 1whr s MET 199 Cb -0.00 -2.70 0.13 0.00 2.01 0.00 0.00 34.83 34.27 1whr s MET 199 CO 0.12 0.46 0.38 0.34 -0.01 0.00 0.00 175.02 176.31 1whr s ASP 200 N -3.40 5.73 0.33 3.03 2.15 -1.26 -4.61 116.67 118.64 1whr s ASP 200 Ca 0.32 -2.03 -0.06 0.00 0.43 0.00 0.00 52.55 51.22 1whr s ASP 200 Cb -0.10 -2.01 -0.05 0.00 -0.30 0.00 0.00 42.92 40.46 1whr s ASP 200 CO 0.25 -0.67 0.62 -1.38 -0.17 0.00 0.00 175.17 173.83 1whr s HIS 201 N 1.19 3.48 0.06 -5.34 -3.43 -1.26 -3.73 115.29 106.27 1whr s HIS 201 Ca 0.07 0.74 -0.10 0.00 -0.80 0.00 0.00 55.06 54.97 1whr s HIS 201 Cb -0.25 -2.19 0.00 0.00 -1.43 0.00 0.00 32.58 28.72 1whr s HIS 201 CO -0.01 0.07 0.21 0.54 -2.00 0.00 0.00 174.74 173.55 1whr s ASN 202 N -3.27 0.04 0.21 7.38 2.20 0.77 -4.97 114.94 117.29 1whr s ASN 202 Ca 0.46 -0.46 -0.06 0.00 -0.94 0.00 0.00 52.86 51.86 1whr s ASN 202 Cb -0.10 0.32 -0.06 0.00 -2.00 0.00 0.00 41.25 39.41 1whr s ASN 202 CO 0.32 -0.64 0.48 0.68 -2.94 0.00 0.00 177.10 174.99 1whr s VAL 203 N -3.11 5.06 0.66 3.54 -7.23 -1.26 -1.47 120.40 116.59 1whr s VAL 203 Ca -0.01 0.16 -0.04 0.00 -1.81 0.00 0.00 61.98 60.29 1whr s VAL 203 Cb 0.01 -3.65 0.06 0.00 0.56 0.00 0.00 36.38 33.36 1whr s VAL 203 CO -0.07 -0.09 0.94 -0.62 -0.31 0.00 0.00 175.10 174.95 1whr s ASP 204 N -2.62 4.92 0.65 4.85 2.15 -1.25 -4.85 116.67 120.52 1whr s ASP 204 Ca 0.44 0.26 0.26 0.00 0.43 0.00 0.00 52.55 53.94 1whr s ASP 204 Cb -0.11 -0.96 1.42 0.00 -0.30 0.00 0.00 42.92 42.96 1whr s ASP 204 CO 0.25 -1.48 1.80 0.06 -0.17 0.00 0.00 175.17 175.63 1whr h GLN 205 N -0.39 0.00 0.00 4.34 -0.00 -1.96 0.38 115.11 117.48 1whr h GLN 205 Ca -0.43 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 57.94 1whr h GLN 205 Cb 1.31 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.73 1whr h GLN 205 CO 0.56 0.00 -2.14 -2.37 -0.00 0.00 0.00 178.83 174.88 1whr n THR 206 N -2.81 1.18 -1.71 1.86 5.66 -1.26 -4.87 114.28 112.34 1whr n THR 206 Ca -0.02 -0.78 -0.14 0.00 -3.05 0.00 0.00 64.05 60.06 1whr n THR 206 Cb 0.44 -0.49 -0.04 0.00 -1.55 0.00 0.00 70.33 68.69 1whr n THR 206 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1whr n GLY 207 N 1.61 0.89 0.09 1.09 0.00 0.13 -4.88 105.19 104.13 1whr n GLY 207 Ca -0.24 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 1whr n GLY 207 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1whr n LYS 208 N -2.51 0.66 -4.28 1.61 4.76 -1.26 -4.91 118.16 112.23 1whr n LYS 208 Ca -0.15 0.14 -0.20 0.00 -2.87 0.00 0.00 58.31 55.23 1whr n LYS 208 Cb 0.52 -1.65 -0.11 0.00 -1.84 0.00 0.00 35.03 31.95 1whr n LYS 208 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1whr s ALA 209 N -2.55 1.72 -0.07 7.82 0.00 -1.26 -4.67 121.76 122.75 1whr s ALA 209 Ca -0.07 -1.38 -0.04 0.00 0.00 0.00 0.00 51.96 50.46 1whr s ALA 209 Cb 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1whr s ALA 209 CO 0.83 0.16 0.11 0.08 0.00 0.00 0.00 175.76 176.93 1whr s VAL 210 N -2.13 5.09 0.03 0.00 1.01 -1.26 -3.77 120.40 119.37 1whr s VAL 210 Ca 0.12 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.08 1whr s VAL 210 Cb -0.05 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 1whr s VAL 210 CO 0.04 0.51 -0.19 -0.63 0.00 0.00 0.00 175.10 174.83 1whr s ILE 211 N -1.09 1.50 0.47 2.22 1.09 -0.54 -2.85 121.20 122.00 1whr s ILE 211 Ca 0.19 -1.04 0.03 0.00 -1.10 0.00 0.00 60.65 58.72 1whr s ILE 211 Cb -0.12 -1.29 -0.03 0.00 -1.06 0.00 0.00 42.46 39.95 1whr s ILE 211 CO 0.08 0.22 0.02 0.27 -0.10 0.00 0.00 174.94 175.44 1whr s ILE 212 N -0.70 1.27 0.16 2.92 -4.36 0.12 -0.17 121.20 120.44 1whr s ILE 212 Ca 0.06 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.30 1whr s ILE 212 Cb -0.08 -2.41 0.03 0.00 1.25 0.00 0.00 42.46 41.25 1whr s ILE 212 CO 0.01 0.00 0.43 0.54 0.24 0.00 0.00 174.94 176.16 1whr s ASN 213 N -3.78 -0.20 -0.32 4.36 4.22 -1.24 -2.03 114.94 115.94 1whr s ASN 213 Ca 0.16 -0.46 -0.17 0.00 -2.14 0.00 0.00 52.86 50.24 1whr s ASN 213 Cb 0.04 0.51 -0.01 0.00 1.28 0.00 0.00 41.25 43.07 1whr s ASN 213 CO 0.08 -0.94 0.49 -0.75 -2.04 0.00 0.00 177.10 173.95 1whr s LYS 214 N -3.86 3.74 0.11 3.55 2.20 -1.22 -4.40 119.74 119.87 1whr s LYS 214 Ca 0.07 -0.07 0.06 0.00 -0.36 0.00 0.00 55.97 55.68 1whr s LYS 214 Cb 0.01 -3.76 -0.04 0.00 -1.51 0.00 0.00 37.83 32.53 1whr s LYS 214 CO -0.07 -0.54 -0.16 0.95 -0.36 0.00 0.00 175.35 175.18 1whr s THR 215 N 2.32 1.39 0.21 3.43 -4.23 -1.26 -5.05 115.64 112.45 1whr s THR 215 Ca 0.18 -1.60 -0.16 0.00 -1.18 0.00 0.00 61.69 58.93 1whr s THR 215 Cb -0.16 -1.45 0.22 0.00 1.34 0.00 0.00 72.50 72.46 1whr s THR 215 CO 0.12 -0.30 1.60 -1.28 -0.54 0.00 0.00 174.62 174.22 1whr h SER 216 N 3.78 -0.92 -1.56 3.99 0.87 -1.97 0.57 113.55 118.32 1whr h SER 216 Ca -0.41 0.23 0.46 0.00 -1.23 0.00 0.00 61.79 60.83 1whr h SER 216 Cb 1.19 0.52 -0.08 0.00 -0.44 0.00 0.00 62.40 63.60 1whr h SER 216 CO 0.46 -0.27 1.10 0.78 -0.53 0.00 0.00 176.83 178.37 1whr h ASN 217 N -0.07 0.06 -2.30 6.23 2.35 -1.97 -3.38 115.58 116.51 1whr h ASN 217 Ca 0.30 0.03 -0.55 0.00 -0.55 0.00 0.00 56.30 55.53 1whr h ASN 217 Cb 0.55 0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.95 1whr h ASN 217 CO -0.74 -0.03 1.29 -0.89 -1.65 0.00 0.00 177.43 175.42 1whr s THR 218 N -4.99 3.06 0.12 2.81 2.01 0.20 -4.89 115.64 113.95 1whr s THR 218 Ca -0.06 0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.05 1whr s THR 218 Cb 0.26 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 1whr s THR 218 CO 0.85 -0.02 -0.10 -0.60 -0.69 0.00 0.00 174.62 174.07 1whr s ARG 219 N 4.94 0.93 0.20 4.92 6.06 -1.17 -4.93 118.95 129.90 1whr s ARG 219 Ca 0.90 -1.30 -0.30 0.00 -2.50 0.00 0.00 55.73 52.54 1whr s ARG 219 Cb -0.39 -0.54 -0.08 0.00 0.06 0.00 0.00 34.95 34.00 1whr s ARG 219 CO 0.39 0.07 1.05 0.42 -2.50 0.00 0.00 175.30 174.73 1whr s ILE 220 N -2.94 3.92 0.84 4.11 1.01 -1.26 -4.73 121.20 122.15 1whr s ILE 220 Ca 0.11 1.76 -0.11 0.00 0.00 0.00 0.00 60.65 62.40 1whr s ILE 220 Cb 0.00 -4.12 0.10 0.00 0.01 0.00 0.00 42.46 38.45 1whr s ILE 220 CO -0.00 0.35 1.09 -2.16 0.00 0.00 0.00 174.94 174.22 1whr s PRO 221 N -0.72 1.70 0.15 2.79 0.04 -1.26 -4.97 135.00 132.74 1whr s PRO 221 Ca 0.46 0.97 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 1whr s PRO 221 Cb -0.28 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1whr s PRO 221 CO 0.35 -1.98 1.57 1.49 0.04 0.00 0.00 177.00 178.47 1whr h GLU 222 N -1.36 0.92 -4.50 4.56 4.81 -1.98 -3.43 114.58 113.59 1whr h GLU 222 Ca -0.47 -0.34 -0.46 0.00 -0.13 0.00 0.00 59.36 57.96 1whr h GLU 222 Cb 1.26 -0.06 -0.32 0.00 0.63 0.00 0.00 28.75 30.26 1whr h GLU 222 CO 0.53 1.00 -0.80 -1.14 -0.73 0.00 0.00 179.01 177.87 1whr s GLN 223 N -4.84 1.24 0.31 1.92 2.00 -1.26 -5.15 119.66 113.88 1whr s GLN 223 Ca -0.12 -0.32 0.09 0.00 -2.00 0.00 0.00 55.36 53.01 1whr s GLN 223 Cb 0.12 -1.10 -0.04 0.00 0.80 0.00 0.00 33.01 32.79 1whr s GLN 223 CO 0.84 0.05 0.10 -0.98 -0.50 0.00 0.00 175.29 174.81 1whr s ARG 224 N 0.49 2.38 0.27 1.67 1.70 -1.26 -5.03 118.95 119.17 1whr s ARG 224 Ca -0.09 -1.48 0.03 0.00 -0.47 0.00 0.00 55.73 53.72 1whr s ARG 224 Cb -0.13 -2.19 0.37 0.00 -0.57 0.00 0.00 34.95 32.44 1whr s ARG 224 CO 0.02 0.21 1.67 0.74 -1.08 0.00 0.00 175.30 176.85 1whr h PHE 225 N 1.65 0.45 -0.61 5.89 0.04 -1.99 -2.83 116.94 119.53 1whr h PHE 225 Ca -0.44 -0.12 0.18 0.00 2.80 0.00 0.00 57.97 60.39 1whr h PHE 225 Cb 1.25 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 39.28 1whr h PHE 225 CO 0.64 0.71 0.46 1.03 -0.60 0.00 0.00 178.31 180.56 1whr h SER 226 N 0.32 0.00 1.08 2.17 0.87 -1.95 0.67 113.55 116.71 1whr h SER 226 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1whr h SER 226 Cb 0.81 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1whr h SER 226 CO 0.07 0.00 -0.46 -0.08 -0.53 0.00 0.00 176.83 175.82 1whr h GLU 227 N 0.00 0.00 -0.00 2.24 4.81 -1.92 -3.25 114.58 116.46 1whr h GLU 227 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1whr h GLU 227 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1whr h GLU 227 CO -0.00 0.00 -0.06 0.72 -0.73 0.00 0.00 179.01 178.94 1whr n HIS 228 N -2.23 0.00 -1.05 0.92 8.25 0.23 -3.21 115.22 118.14 1whr n HIS 228 Ca 0.04 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.59 1whr n HIS 228 Cb 0.45 -0.39 0.21 0.00 1.12 0.00 0.00 29.99 31.37 1whr n HIS 228 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1whr n ILE 229 N -1.39 2.13 -1.74 1.59 -5.35 -1.12 -5.02 119.36 108.46 1whr n ILE 229 Ca 0.10 -2.08 -0.42 0.00 -0.27 0.00 0.00 62.75 60.07 1whr n ILE 229 Cb 0.31 -0.25 -0.03 0.00 -1.74 0.00 0.00 39.64 37.93 1whr n ILE 229 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1whr s LYS 230 N -2.87 4.15 -0.23 6.28 1.02 -1.20 -4.96 119.74 121.94 1whr s LYS 230 Ca 0.38 2.55 -0.27 0.00 0.02 0.00 0.00 55.97 58.65 1whr s LYS 230 Cb 0.32 -3.88 0.12 0.00 -0.52 0.00 0.00 37.83 33.87 1whr s LYS 230 CO 0.06 -0.88 1.01 0.34 -0.92 0.00 0.00 175.35 174.95 1whr s ASP 231 N 3.52 -0.43 -0.82 2.83 2.15 -1.26 -5.08 116.67 117.58 1whr s ASP 231 Ca 0.83 0.70 -0.24 0.00 0.43 0.00 0.00 52.55 54.27 1whr s ASP 231 Cb -0.43 0.66 -0.17 0.00 -0.30 0.00 0.00 42.92 42.69 1whr s ASP 231 CO 0.38 -0.23 2.37 1.21 -0.17 0.00 0.00 175.17 178.72 1whr n GLU 232 N 1.64 0.47 -3.15 4.34 2.13 -1.26 -4.76 120.64 120.05 1whr n GLU 232 Ca -0.12 -0.80 0.04 0.00 0.66 0.00 0.00 57.16 56.95 1whr n GLU 232 Cb 0.57 -3.41 -0.01 0.00 0.27 0.00 0.00 31.44 28.86 1whr n GLU 232 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1whr s LYS 233 N 8.69 0.49 -0.02 5.31 2.20 -1.26 -5.14 119.74 130.01 1whr s LYS 233 Ca 0.96 0.76 -0.30 0.00 -0.36 0.00 0.00 55.97 57.04 1whr s LYS 233 Cb -0.21 0.41 -0.03 0.00 -1.51 0.00 0.00 37.83 36.50 1whr s LYS 233 CO 0.14 -0.64 1.03 1.21 -0.36 0.00 0.00 175.35 176.73 1whr s ASN 234 N 2.87 7.28 0.13 1.43 2.47 -1.26 -5.02 114.94 122.84 1whr s ASN 234 Ca 0.16 1.69 -0.24 0.00 0.42 0.00 0.00 52.86 54.89 1whr s ASN 234 Cb -0.13 -2.57 0.08 0.00 -1.45 0.00 0.00 41.25 37.18 1whr s ASN 234 CO -0.21 -0.35 0.65 0.28 -3.72 0.00 0.00 177.10 173.75 1whr s THR 235 N 1.31 0.00 -0.14 -5.21 -1.32 -1.26 -5.19 115.64 103.83 1whr s THR 235 Ca 0.52 0.00 -0.33 0.00 -1.21 0.00 0.00 61.69 60.68 1whr s THR 235 Cb -0.22 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 69.90 1whr s THR 235 CO 0.26 0.00 1.11 -1.83 -2.21 0.00 0.00 174.62 171.95 1whr s GLU 236 N -3.58 0.45 0.14 7.08 -1.05 -1.26 -5.19 118.70 115.29 1whr s GLU 236 Ca 0.01 -0.13 -0.24 0.00 -0.15 0.00 0.00 54.97 54.46 1whr s GLU 236 Cb -0.01 0.21 0.08 0.00 -0.44 0.00 0.00 34.13 33.97 1whr s GLU 236 CO -0.12 -0.19 1.07 0.12 0.95 0.00 0.00 175.26 177.09 1whr s PHE 237 N -2.39 0.01 -0.29 4.83 5.36 -1.26 -5.18 117.98 119.06 1whr s PHE 237 Ca 0.07 -0.34 -0.16 0.00 -0.96 0.00 0.00 56.93 55.54 1whr s PHE 237 Cb -0.01 0.66 0.14 0.00 -0.34 0.00 0.00 43.02 43.47 1whr s PHE 237 CO -0.05 -0.78 0.95 -1.14 -1.46 0.00 0.00 175.22 172.74 1whr s GLN 238 N -2.41 0.40 -0.19 10.12 -0.44 -1.26 -5.17 119.66 120.71 1whr s GLN 238 Ca 0.20 0.72 -0.15 0.00 -2.50 0.00 0.00 55.36 53.63 1whr s GLN 238 Cb -0.01 0.13 0.05 0.00 -1.64 0.00 0.00 33.01 31.54 1whr s GLN 238 CO 0.03 -0.09 0.49 -0.65 0.50 0.00 0.00 175.29 175.57 1whr s GLN 239 N 1.51 0.54 -0.27 1.67 -1.52 -1.26 -5.16 119.66 115.17 1whr s GLN 239 Ca -0.08 0.75 -0.27 0.00 -1.95 0.00 0.00 55.36 53.81 1whr s GLN 239 Cb -0.04 0.20 0.17 0.00 -0.22 0.00 0.00 33.01 33.11 1whr s GLN 239 CO -0.16 -0.10 1.27 -0.98 -0.25 0.00 0.00 175.29 175.08 1whr s ARG 240 N 0.64 0.23 -0.29 2.91 1.70 -1.26 -5.17 118.95 117.71 1whr s ARG 240 Ca -0.03 0.17 -0.17 0.00 -0.47 0.00 0.00 55.73 55.24 1whr s ARG 240 Cb -0.05 0.11 0.17 0.00 -0.57 0.00 0.00 34.95 34.61 1whr s ARG 240 CO -0.04 -0.05 1.09 -0.06 -1.08 0.00 0.00 175.30 175.16 1whr s PHE 241 N -0.38 -0.38 -0.09 5.89 0.08 -1.26 -5.18 117.98 116.65 1whr s PHE 241 Ca 0.05 0.78 -0.30 0.00 0.12 0.00 0.00 56.93 57.59 1whr s PHE 241 Cb -0.03 0.25 0.11 0.00 -0.57 0.00 0.00 43.02 42.78 1whr s PHE 241 CO -0.09 -0.19 0.88 -1.50 -0.10 0.00 0.00 175.22 174.22 1whr s ILE 242 N 1.12 0.00 -0.28 0.64 2.07 -1.26 -5.18 121.20 118.32 1whr s ILE 242 Ca -0.07 0.00 -0.23 0.00 -1.41 0.00 0.00 60.65 58.94 1whr s ILE 242 Cb -0.03 -1.00 0.11 0.00 0.13 0.00 0.00 42.46 41.67 1whr s ILE 242 CO -0.13 0.00 0.93 -0.22 -1.91 0.00 0.00 174.94 173.61 1whr s LEU 243 N -1.39 -0.57 -0.11 8.50 2.96 -1.26 -5.18 118.68 121.63 1whr s LEU 243 Ca -0.03 1.04 -0.32 0.00 -0.22 0.00 0.00 54.13 54.59 1whr s LEU 243 Cb -0.00 2.03 0.12 0.00 0.50 0.00 0.00 46.19 48.83 1whr s LEU 243 CO 0.02 -0.18 1.10 -0.55 -1.32 0.00 0.00 176.35 175.42 1whr s SER 244 N 0.60 -0.21 0.56 3.68 0.15 -1.26 -5.16 113.70 112.06 1whr s SER 244 Ca -0.01 -0.02 -0.21 0.00 0.70 0.00 0.00 55.95 56.41 1whr s SER 244 Cb -0.05 0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.45 1whr s SER 244 CO -0.08 -0.39 1.29 -0.83 1.20 0.00 0.00 173.24 174.43 1whr s GLY 245 N -2.36 2.84 0.25 9.45 0.00 -1.26 -4.93 107.32 111.31 1whr s GLY 245 Ca 0.08 1.19 0.03 0.00 0.00 0.00 0.00 44.72 46.02 1whr s GLY 245 CO -0.06 1.66 1.63 -0.56 0.00 0.00 0.00 173.10 175.77 1whr h PRO 246 N 1.31 0.37 -3.62 2.90 0.13 -2.08 -3.46 132.00 127.55 1whr h PRO 246 Ca -0.51 -0.20 -0.08 0.00 -0.87 0.00 0.00 66.00 64.35 1whr h PRO 246 Cb 1.30 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.29 1whr h PRO 246 CO 0.57 0.75 -0.28 0.45 -0.23 0.00 0.00 178.00 179.25 1whr s SER 247 N -6.87 -0.00 -0.20 1.44 0.15 -1.26 -5.09 113.70 101.86 1whr s SER 247 Ca -0.06 -0.49 -0.16 0.00 0.70 0.00 0.00 55.95 55.94 1whr s SER 247 Cb 0.13 0.37 -0.07 0.00 -1.71 0.00 0.00 66.02 64.73 1whr s SER 247 CO 0.80 -0.73 -0.30 -0.24 1.20 0.00 0.00 173.24 173.97 1whr n SER 248 N 0.03 1.92 0.00 5.45 2.88 -1.26 -5.24 113.62 117.40 1whr n SER 248 Ca -0.16 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1whr n SER 248 Cb 0.62 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 1whr n SER 248 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42