#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 4.61 -0.78 1.61 0.15 -1.26 -5.05 113.70 112.98 1whr s SER 127 Ca 0.00 -1.94 -0.27 0.00 0.70 0.00 0.00 55.95 54.44 1whr s SER 127 Cb 0.00 -1.53 -0.16 0.00 -1.71 0.00 0.00 66.02 62.61 1whr s SER 127 CO 0.00 -0.34 2.54 -0.24 1.20 0.00 0.00 173.24 176.39 1whr n SER 128 N 4.35 1.09 0.00 5.45 2.88 -1.26 -4.73 113.62 121.40 1whr n SER 128 Ca -0.00 -0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.30 1whr n SER 128 Cb 0.42 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 1whr n SER 128 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1whr n GLY 129 N 6.25 2.71 3.29 0.46 0.00 -1.26 -5.10 105.19 111.55 1whr n GLY 129 Ca 0.53 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1whr n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whr s SER 130 N 0.00 5.95 -0.03 1.61 0.01 -1.26 -5.06 113.70 114.92 1whr s SER 130 Ca 0.00 -1.69 0.07 0.00 1.31 0.00 0.00 55.95 55.64 1whr s SER 130 Cb 0.00 -2.11 -0.02 0.00 0.21 0.00 0.00 66.02 64.10 1whr s SER 130 CO 0.00 -0.72 -0.24 -0.94 0.41 0.00 0.00 173.24 171.76 1whr s SER 131 N 2.89 3.24 0.00 2.44 1.04 -1.26 -4.99 113.70 117.06 1whr s SER 131 Ca 0.04 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1whr s SER 131 Cb -0.27 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.36 1whr s SER 131 CO 0.02 0.32 0.00 0.61 0.98 0.00 0.00 173.24 175.17 1whr n GLY 132 N 2.47 -2.07 3.56 7.32 0.00 -1.26 -5.11 105.19 110.10 1whr n GLY 132 Ca -0.16 0.66 -0.40 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 5.25 0.21 2.61 -4.23 -1.26 -5.05 115.64 113.16 1whr s THR 133 Ca 0.00 0.08 -0.13 0.00 -1.18 0.00 0.00 61.69 60.46 1whr s THR 133 Cb 0.00 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.16 1whr s THR 133 CO 0.00 0.08 0.44 1.51 -0.54 0.00 0.00 174.62 176.11 1whr s ASP 134 N 1.73 -0.11 0.70 3.99 -4.77 -1.26 -5.18 116.67 111.77 1whr s ASP 134 Ca 0.09 -0.77 -0.06 0.00 -3.30 0.00 0.00 52.55 48.51 1whr s ASP 134 Cb -0.17 0.54 0.06 0.00 -1.09 0.00 0.00 42.92 42.27 1whr s ASP 134 CO 0.11 -1.05 1.00 -0.94 0.70 0.00 0.00 175.17 175.00 1whr s SER 135 N -2.96 4.84 0.06 2.11 1.04 -1.26 -5.11 113.70 112.43 1whr s SER 135 Ca 0.17 0.44 0.00 0.00 0.48 0.00 0.00 55.95 57.04 1whr s SER 135 Cb 0.00 -1.10 -0.04 0.00 0.10 0.00 0.00 66.02 64.98 1whr s SER 135 CO 0.03 -1.57 -0.05 0.42 0.98 0.00 0.00 173.24 173.05 1whr s THR 136 N -3.22 0.42 -0.23 2.02 -4.23 -1.26 -5.14 115.64 103.99 1whr s THR 136 Ca 0.60 -1.70 -0.05 0.00 -1.18 0.00 0.00 61.69 59.35 1whr s THR 136 Cb -0.11 -1.38 -0.02 0.00 1.34 0.00 0.00 72.50 72.34 1whr s THR 136 CO 0.44 -0.85 0.00 -0.83 -0.54 0.00 0.00 174.62 172.85 1whr s GLY 137 N -2.70 1.67 -0.22 3.99 0.00 -1.26 -5.09 107.32 103.71 1whr s GLY 137 Ca 0.05 -1.15 -0.07 0.00 0.00 0.00 0.00 44.72 43.55 1whr s GLY 137 CO -0.06 0.46 0.05 -0.26 0.00 0.00 0.00 173.10 173.29 1whr s ILE 138 N 1.52 4.33 -1.68 0.90 -4.36 -1.26 -4.55 121.20 116.10 1whr s ILE 138 Ca 0.06 -0.18 -0.17 0.00 -0.26 0.00 0.00 60.65 60.11 1whr s ILE 138 Cb -0.15 -2.99 0.14 0.00 1.25 0.00 0.00 42.46 40.72 1whr s ILE 138 CO -0.01 0.39 0.72 -0.90 0.24 0.00 0.00 174.94 175.39 1whr n ASP 139 N 4.42 -2.83 -0.26 4.36 5.68 -1.26 -4.81 116.55 121.85 1whr n ASP 139 Ca -0.16 -1.03 0.04 0.00 -0.50 0.00 0.00 54.79 53.14 1whr n ASP 139 Cb 0.52 -2.69 0.14 0.00 -1.14 0.00 0.00 41.12 37.95 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 -1.50 -0.48 -0.98 -2.12 3.38 -2.00 0.26 115.31 111.86 1whr h LEU 140 Ca -0.60 0.21 0.33 0.00 0.09 0.00 0.00 57.88 57.92 1whr h LEU 140 Cb 1.38 0.40 -0.16 0.00 0.09 0.00 0.00 40.66 42.37 1whr h LEU 140 CO 0.77 -0.22 0.42 -0.74 0.09 0.00 0.00 178.44 178.77 1whr h HIS 141 N 0.06 0.66 0.27 1.13 2.76 -1.98 -0.61 115.15 117.44 1whr h HIS 141 Ca 0.41 0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.61 1whr h HIS 141 Cb 0.70 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.52 1whr h HIS 141 CO -0.49 -0.33 -0.30 1.49 -1.30 0.00 0.00 177.93 177.00 1whr h GLU 142 N 0.15 -0.56 -0.28 5.26 4.81 -0.83 -0.38 114.58 122.75 1whr h GLU 142 Ca 0.73 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 60.06 1whr h GLU 142 Cb 1.72 0.13 -0.08 0.00 0.63 0.00 0.00 28.75 31.15 1whr h GLU 142 CO -0.72 -0.37 -0.34 0.35 -0.73 0.00 0.00 179.01 177.20 1whr h PHE 143 N -0.58 -0.94 0.00 0.92 3.04 -1.20 -0.12 116.94 118.07 1whr h PHE 143 Ca -0.03 0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1whr h PHE 143 Cb 0.51 0.45 0.00 0.00 2.56 0.00 0.00 35.95 39.47 1whr h PHE 143 CO -0.20 -0.40 0.00 1.28 -2.02 0.00 0.00 178.31 176.97 1whr n LEU 144 N -5.41 0.00 -0.36 0.59 4.77 -0.67 -0.59 117.00 115.33 1whr n LEU 144 Ca -0.01 0.82 0.02 0.00 -0.03 0.00 0.00 56.01 56.81 1whr n LEU 144 Cb 0.33 -0.32 0.09 0.00 -2.33 0.00 0.00 43.42 41.20 1whr n LEU 144 CO 0.10 -0.32 0.63 0.58 -1.33 0.00 0.00 177.39 177.06 1whr h VAL 145 N 0.00 0.02 -0.99 4.08 2.07 -0.98 0.98 116.25 121.44 1whr h VAL 145 Ca 0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1whr h VAL 145 Cb 0.00 0.02 -0.09 0.00 -1.52 0.00 0.00 31.29 29.70 1whr h VAL 145 CO 0.00 0.00 0.62 0.78 0.02 0.00 0.00 177.57 178.99 1whr h ASN 146 N -0.01 0.81 -0.60 0.57 4.21 -0.64 0.25 115.58 120.18 1whr h ASN 146 Ca 0.41 0.07 -0.08 0.00 1.21 0.00 0.00 56.30 57.90 1whr h ASN 146 Cb 0.65 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.75 1whr h ASN 146 CO -0.98 0.37 0.05 0.74 -1.29 0.00 0.00 177.43 176.31 1whr h THR 147 N 0.83 1.26 0.00 2.81 2.02 0.34 -2.50 112.91 117.68 1whr h THR 147 Ca 0.53 -1.08 -0.12 0.00 0.77 0.00 0.00 66.41 66.51 1whr h THR 147 Cb 0.73 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1whr h THR 147 CO -0.30 0.39 -0.58 -0.07 0.37 0.00 0.00 175.52 175.33 1whr h LEU 148 N 0.93 0.00 0.30 2.58 3.38 -0.05 0.14 115.31 122.58 1whr h LEU 148 Ca 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1whr h LEU 148 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1whr h LEU 148 CO 0.02 0.58 -0.14 0.11 0.09 0.00 0.00 178.44 179.10 1whr h LYS 149 N 0.00 -0.38 -0.21 1.13 1.79 -0.30 -2.33 116.57 116.27 1whr h LYS 149 Ca -0.01 0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.36 1whr h LYS 149 Cb 1.13 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1whr h LYS 149 CO 0.08 -0.26 -0.37 0.87 -1.08 0.00 0.00 179.45 178.69 1whr h LYS 150 N -0.51 0.63 -3.20 3.15 1.57 -1.57 -3.37 116.57 113.28 1whr h LYS 150 Ca -0.04 -0.39 -0.65 0.00 -1.87 0.00 0.00 60.65 57.69 1whr h LYS 150 Cb 0.31 0.04 -0.39 0.00 0.08 0.00 0.00 32.23 32.27 1whr h LYS 150 CO 0.07 1.00 -0.39 -0.80 -0.57 0.00 0.00 179.45 178.76 1whr s ASN 151 N -6.59 5.26 0.47 0.86 -0.87 0.47 -4.90 114.94 109.65 1whr s ASN 151 Ca -0.12 -3.75 0.26 0.00 -1.57 0.00 0.00 52.86 47.67 1whr s ASN 151 Cb 0.07 -1.75 1.09 0.00 -0.02 0.00 0.00 41.25 40.65 1whr s ASN 151 CO 0.83 -0.13 1.90 1.55 -2.57 0.00 0.00 177.10 178.67 1whr h PRO 152 N 5.71 0.00 -0.85 -0.60 0.13 -1.52 -3.07 132.00 131.80 1whr h PRO 152 Ca 0.14 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.47 1whr h PRO 152 Cb 0.79 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.86 1whr h PRO 152 CO 0.77 0.18 0.57 -0.09 -0.23 0.00 0.00 178.00 179.21 1whr h ARG 153 N 0.00 0.31 -0.79 0.86 2.43 -1.89 0.12 114.38 115.43 1whr h ARG 153 Ca -0.00 -0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.30 1whr h ARG 153 Cb 0.63 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 1whr h ARG 153 CO 0.02 0.21 0.52 -0.44 -1.51 0.00 0.00 179.97 178.77 1whr h ASP 154 N 0.32 0.45 -0.89 -3.80 3.32 -1.86 -1.99 116.42 111.97 1whr h ASP 154 Ca 0.43 0.03 0.37 0.00 0.02 0.00 0.00 57.03 57.88 1whr h ASP 154 Cb 1.19 -0.06 -0.16 0.00 0.22 0.00 0.00 39.33 40.52 1whr h ASP 154 CO -0.13 0.23 0.49 0.54 -1.72 0.00 0.00 179.24 178.65 1whr n ARG 155 N -4.50 -0.05 0.01 3.56 1.74 0.43 -0.92 116.66 116.93 1whr n ARG 155 Ca 0.15 1.20 -0.01 0.00 -0.77 0.00 0.00 57.85 58.42 1whr n ARG 155 Cb 0.51 -2.17 -0.01 0.00 -1.02 0.00 0.00 32.46 29.78 1whr n ARG 155 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1whr h MET 156 N 0.00 -0.05 0.71 5.56 2.86 -1.56 0.13 114.93 122.58 1whr h MET 156 Ca 0.75 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 58.35 1whr h MET 156 Cb 1.99 0.01 0.01 0.00 0.06 0.00 0.00 31.60 33.67 1whr h MET 156 CO -0.66 -0.03 -0.34 0.52 1.06 0.00 0.00 176.91 177.46 1whr h MET 157 N -0.05 -0.91 -0.84 1.72 2.86 -1.24 -1.14 114.93 115.32 1whr h MET 157 Ca 0.00 0.06 0.26 0.00 -2.06 0.00 0.00 59.70 57.96 1whr h MET 157 Cb 0.05 0.21 -0.16 0.00 0.06 0.00 0.00 31.60 31.76 1whr h MET 157 CO -0.02 -0.61 0.12 1.28 1.06 0.00 0.00 176.91 178.74 1whr n LEU 158 N -4.66 -0.00 0.06 1.22 4.77 -0.48 0.54 117.00 118.43 1whr n LEU 158 Ca -0.12 1.42 -0.13 0.00 -0.03 0.00 0.00 56.01 57.16 1whr n LEU 158 Cb 0.37 -0.56 -0.09 0.00 -2.33 0.00 0.00 43.42 40.82 1whr n LEU 158 CO 0.28 -1.48 0.59 -0.07 -1.33 0.00 0.00 177.39 175.39 1whr h LEU 159 N 0.00 -0.14 0.74 2.23 3.38 -0.58 -1.81 115.31 119.13 1whr h LEU 159 Ca 0.56 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1whr h LEU 159 Cb 1.26 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1whr h LEU 159 CO -0.76 0.28 -0.41 0.11 0.09 0.00 0.00 178.44 177.76 1whr h LYS 160 N -0.59 -1.02 -0.59 1.13 1.79 0.14 -1.60 116.57 115.82 1whr h LYS 160 Ca -0.02 0.07 0.12 0.00 -2.18 0.00 0.00 60.65 58.64 1whr h LYS 160 Cb 0.46 0.23 -0.11 0.00 -1.58 0.00 0.00 32.23 31.23 1whr h LYS 160 CO 0.03 -0.68 -0.17 -0.07 -1.08 0.00 0.00 179.45 177.48 1whr h LEU 161 N -1.06 -0.61 -0.93 2.94 3.38 -0.07 0.17 115.31 119.13 1whr h LEU 161 Ca -0.10 0.18 0.13 0.00 0.09 0.00 0.00 57.88 58.19 1whr h LEU 161 Cb 0.83 0.39 -0.09 0.00 0.09 0.00 0.00 40.66 41.88 1whr h LEU 161 CO 0.13 -0.21 0.55 -0.08 0.09 0.00 0.00 178.44 178.92 1whr h GLU 162 N -0.02 0.79 0.04 1.13 4.81 -1.22 -1.51 114.58 118.61 1whr h GLU 162 Ca 0.28 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1whr h GLU 162 Cb 0.45 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1whr h GLU 162 CO -0.62 0.52 -0.02 1.96 -0.73 0.00 0.00 179.01 180.12 1whr h GLN 163 N 0.82 -0.05 -0.59 1.92 4.20 0.30 -2.13 115.11 119.57 1whr h GLN 163 Ca 0.48 0.00 0.10 0.00 0.06 0.00 0.00 58.65 59.30 1whr h GLN 163 Cb 0.58 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.30 1whr h GLN 163 CO -0.31 0.15 0.16 0.93 -0.67 0.00 0.00 178.83 179.09 1whr h GLU 164 N -0.25 0.30 -0.10 1.46 4.39 -0.47 -1.89 114.58 118.02 1whr h GLU 164 Ca -0.01 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1whr h GLU 164 Cb 0.23 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1whr h GLU 164 CO 0.01 0.20 0.04 0.82 -1.16 0.00 0.00 179.01 178.91 1whr h ILE 165 N 0.31 0.98 -0.52 3.13 2.04 -1.20 -2.19 117.51 120.06 1whr h ILE 165 Ca 0.30 -0.03 0.10 0.00 1.00 0.00 0.00 64.86 66.24 1whr h ILE 165 Cb 0.42 0.88 -0.09 0.00 -0.74 0.00 0.00 36.82 37.29 1whr h ILE 165 CO -0.36 0.02 -0.07 -0.07 0.00 0.00 0.00 178.15 177.66 1whr h LEU 166 N 0.09 -0.37 -0.66 1.44 3.38 -0.67 0.21 115.31 118.72 1whr h LEU 166 Ca 0.04 0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.19 1whr h LEU 166 Cb 0.02 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1whr h LEU 166 CO -0.04 -0.13 0.40 -0.33 0.09 0.00 0.00 178.44 178.43 1whr h GLU 167 N 0.05 0.76 -0.07 1.13 4.39 -1.13 -2.37 114.58 117.34 1whr h GLU 167 Ca 0.26 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1whr h GLU 167 Cb 0.39 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1whr h GLU 167 CO -0.49 0.50 0.04 0.35 -1.16 0.00 0.00 179.01 178.25 1whr h PHE 168 N 0.78 0.08 -0.35 4.33 3.57 -0.50 -0.35 116.94 124.51 1whr h PHE 168 Ca 0.27 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.85 1whr h PHE 168 Cb 0.06 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.69 1whr h PHE 168 CO -0.05 0.07 -0.17 0.82 -2.23 0.00 0.00 178.31 176.75 1whr h ILE 169 N 0.08 0.49 -0.75 1.41 2.04 -0.67 -1.48 117.51 118.63 1whr h ILE 169 Ca 0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 1whr h ILE 169 Cb 0.00 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1whr h ILE 169 CO -0.00 0.00 0.31 -1.13 0.00 0.00 0.00 178.15 177.32 1whr h ASN 170 N -0.11 1.02 -2.60 1.72 -1.24 -1.26 -3.42 115.58 109.68 1whr h ASN 170 Ca 0.18 -0.17 -0.52 0.00 0.71 0.00 0.00 56.30 56.50 1whr h ASN 170 Cb 0.38 -0.26 0.05 0.00 0.73 0.00 0.00 38.32 39.22 1whr h ASN 170 CO -0.42 0.91 1.05 -0.67 -1.29 0.00 0.00 177.43 177.01 1whr n ASP 171 N -4.34 4.04 -0.07 1.15 2.03 -0.15 -4.91 116.55 114.29 1whr n ASP 171 Ca 0.06 1.03 -0.22 0.00 0.52 0.00 0.00 54.79 56.19 1whr n ASP 171 Cb 0.17 -1.57 -0.12 0.00 -0.72 0.00 0.00 41.12 38.88 1whr n ASP 171 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1whr n ASN 172 N 4.56 2.00 -0.32 1.67 0.23 -1.26 -4.32 115.26 117.82 1whr n ASN 172 Ca 0.17 0.21 0.20 0.00 -0.53 0.00 0.00 54.58 54.62 1whr n ASN 172 Cb 0.36 -0.79 0.39 0.00 -2.08 0.00 0.00 39.78 37.66 1whr n ASN 172 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1whr h ASN 173 N -0.39 -0.03 -3.51 0.53 -0.73 -1.95 -3.38 115.58 106.13 1whr h ASN 173 Ca -0.49 0.24 -0.53 0.00 1.87 0.00 0.00 56.30 57.40 1whr h ASN 173 Cb 1.76 0.33 -0.03 0.00 0.27 0.00 0.00 38.32 40.65 1whr h ASN 173 CO -0.11 -0.30 -0.01 0.20 -0.37 0.00 0.00 177.43 176.84 1whr s ASN 174 N -4.89 6.80 -0.02 1.15 0.01 -1.26 -4.99 114.94 111.74 1whr s ASN 174 Ca -0.11 1.15 0.01 0.00 -0.71 0.00 0.00 52.86 53.20 1whr s ASN 174 Cb 0.30 -2.32 -0.02 0.00 0.41 0.00 0.00 41.25 39.62 1whr s ASN 174 CO 0.78 -0.04 0.00 0.00 -1.51 0.00 0.00 177.10 176.33 1whr n GLN 175 N 0.21 3.03 -4.43 -0.60 6.02 -1.26 -4.95 117.38 115.40 1whr n GLN 175 Ca -0.01 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.77 1whr n GLN 175 Cb 0.52 -1.04 -0.10 0.00 1.02 0.00 0.00 30.24 30.64 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 -2.04 2.03 -0.11 1.08 0.40 -1.26 -3.61 117.98 114.47 1whr s PHE 176 Ca -0.01 -0.56 -0.04 0.00 -0.60 0.00 0.00 56.93 55.73 1whr s PHE 176 Cb 0.01 -1.05 0.05 0.00 0.51 0.00 0.00 43.02 42.53 1whr s PHE 176 CO 0.07 0.44 0.08 0.21 0.70 0.00 0.00 175.22 176.72 1whr s LYS 177 N -3.64 -0.00 -0.05 0.44 2.20 0.29 -5.00 119.74 113.97 1whr s LYS 177 Ca 0.28 0.16 -0.00 0.00 -0.36 0.00 0.00 55.97 56.05 1whr s LYS 177 Cb 0.01 -1.16 -0.03 0.00 -1.51 0.00 0.00 37.83 35.14 1whr s LYS 177 CO 0.12 -0.50 -0.01 0.21 -0.36 0.00 0.00 175.35 174.81 1whr s LYS 178 N 2.16 2.88 0.15 4.03 2.20 -1.26 -1.20 119.74 128.70 1whr s LYS 178 Ca 0.04 -0.50 0.05 0.00 -0.36 0.00 0.00 55.97 55.19 1whr s LYS 178 Cb -0.14 -2.72 -0.04 0.00 -1.51 0.00 0.00 37.83 33.42 1whr s LYS 178 CO -0.06 0.67 0.10 -0.06 -0.36 0.00 0.00 175.35 175.63 1whr s PHE 179 N -0.96 3.10 1.07 4.03 0.08 -1.18 -5.05 117.98 119.07 1whr s PHE 179 Ca 0.16 -0.02 -0.18 0.00 0.12 0.00 0.00 56.93 57.00 1whr s PHE 179 Cb -0.11 -1.51 0.27 0.00 -0.57 0.00 0.00 43.02 41.10 1whr s PHE 179 CO 0.05 0.52 0.95 -0.35 -0.10 0.00 0.00 175.22 176.29 1whr n PRO 180 N -0.14 -2.87 -1.76 0.24 -0.04 -1.26 -4.53 135.00 124.63 1whr n PRO 180 Ca -0.09 -1.52 -0.42 0.00 -0.04 0.00 0.00 63.50 61.43 1whr n PRO 180 Cb 0.54 -1.43 -0.03 0.00 -0.04 0.00 0.00 33.50 32.55 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 -5.16 3.95 0.31 0.54 -0.21 -1.26 -4.79 119.66 113.05 1whr s GLN 181 Ca 0.62 2.36 0.09 0.00 0.02 0.00 0.00 55.36 58.44 1whr s GLN 181 Cb -0.06 -4.15 -0.04 0.00 1.00 0.00 0.00 33.01 29.75 1whr s GLN 181 CO 0.47 -1.15 0.09 -1.64 -2.12 0.00 0.00 175.29 170.94 1whr s MET 182 N 4.71 2.36 0.93 2.91 -1.94 -1.26 -5.11 119.30 121.90 1whr s MET 182 Ca 0.86 -1.49 -0.13 0.00 -1.71 0.00 0.00 55.69 53.23 1whr s MET 182 Cb -0.38 -2.18 0.21 0.00 2.01 0.00 0.00 34.83 34.49 1whr s MET 182 CO 0.37 0.22 1.27 0.95 -0.01 0.00 0.00 175.02 177.83 1whr s THR 183 N -2.38 2.00 0.23 2.05 -4.23 -1.26 -4.83 115.64 107.22 1whr s THR 183 Ca 0.35 -0.15 -0.07 0.00 -1.18 0.00 0.00 61.69 60.64 1whr s THR 183 Cb -0.04 -2.85 0.18 0.00 1.34 0.00 0.00 72.50 71.13 1whr s THR 183 CO 0.22 0.00 1.81 -1.28 -0.54 0.00 0.00 174.62 174.82 1whr h SER 184 N -1.49 1.09 0.31 3.99 0.87 -2.00 -1.80 113.55 114.53 1whr h SER 184 Ca -0.42 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 59.98 1whr h SER 184 Cb 1.22 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1whr h SER 184 CO 0.33 0.94 -0.15 0.22 -0.53 0.00 0.00 176.83 177.64 1whr h TYR 185 N 1.18 -0.38 -0.61 2.24 5.03 -2.01 -3.25 116.97 119.16 1whr h TYR 185 Ca 0.28 -0.01 0.13 0.00 2.58 0.00 0.00 58.73 61.71 1whr h TYR 185 Cb 0.16 0.13 -0.11 0.00 1.55 0.00 0.00 36.73 38.45 1whr h TYR 185 CO 0.02 -0.04 -0.09 0.45 -1.32 0.00 0.00 178.16 177.18 1whr h HIS 186 N -0.91 -0.22 -0.85 -3.82 3.86 -1.93 0.01 115.15 111.30 1whr h HIS 186 Ca -0.04 0.05 0.21 0.00 -1.16 0.00 0.00 60.37 59.43 1whr h HIS 186 Cb 0.52 0.19 -0.15 0.00 1.06 0.00 0.00 27.41 29.03 1whr h HIS 186 CO 0.04 -0.23 0.06 -0.09 0.86 0.00 0.00 177.93 178.57 1whr h ARG 187 N 0.04 0.10 0.30 2.45 9.65 -1.38 -0.22 114.38 125.32 1whr h ARG 187 Ca 0.31 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.17 1whr h ARG 187 Cb 0.48 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.04 1whr h ARG 187 CO -0.59 0.06 -0.14 1.98 2.80 0.00 0.00 179.97 184.08 1whr h MET 188 N 0.10 -0.39 -0.60 0.20 4.05 -1.05 -2.11 114.93 115.14 1whr h MET 188 Ca 0.50 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 60.04 1whr h MET 188 Cb 0.95 0.09 -0.11 0.00 -0.80 0.00 0.00 31.60 31.72 1whr h MET 188 CO -0.74 -0.09 -0.38 -0.07 0.23 0.00 0.00 176.91 175.86 1whr h LEU 189 N -0.70 -1.31 0.05 3.39 3.38 -0.47 -1.00 115.31 118.66 1whr h LEU 189 Ca -0.04 0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.18 1whr h LEU 189 Cb 0.48 0.63 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1whr h LEU 189 CO 0.07 -0.32 -0.16 0.25 0.09 0.00 0.00 178.44 178.37 1whr h LEU 190 N -0.19 -0.46 -1.25 1.67 5.85 -1.13 -1.72 115.31 118.09 1whr h LEU 190 Ca 0.21 0.06 0.34 0.00 0.84 0.00 0.00 57.88 59.33 1whr h LEU 190 Cb 0.56 0.18 -0.12 0.00 0.37 0.00 0.00 40.66 41.65 1whr h LEU 190 CO -0.69 -0.23 0.69 0.45 -0.34 0.00 0.00 178.44 178.32 1whr h HIS 191 N -0.30 0.71 0.39 1.25 3.86 -0.50 0.15 115.15 120.73 1whr h HIS 191 Ca 0.04 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 1whr h HIS 191 Cb 0.33 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.62 1whr h HIS 191 CO -0.19 -0.11 -0.19 0.00 0.86 0.00 0.00 177.93 178.30 1whr h ARG 192 N 0.27 -0.51 -0.29 2.45 2.47 -0.43 -2.27 114.38 116.08 1whr h ARG 192 Ca 0.72 0.03 0.07 0.00 -1.26 0.00 0.00 59.98 59.54 1whr h ARG 192 Cb 1.91 0.12 -0.07 0.00 -1.65 0.00 0.00 29.97 30.28 1whr h ARG 192 CO -0.45 -0.23 -0.19 0.28 0.56 0.00 0.00 179.97 179.94 1whr h VAL 193 N -1.03 0.46 -0.09 2.04 2.07 -0.56 0.78 116.25 119.92 1whr h VAL 193 Ca -0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1whr h VAL 193 Cb 0.52 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1whr h VAL 193 CO 0.09 0.00 -0.21 0.00 0.02 0.00 0.00 177.57 177.47 1whr h ALA 194 N 0.99 -0.20 -0.07 1.67 0.00 -0.87 -0.48 119.26 120.31 1whr h ALA 194 Ca 0.15 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1whr h ALA 194 Cb 0.40 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1whr h ALA 194 CO -0.39 -0.68 0.05 0.00 0.00 0.00 0.00 179.25 178.23 1whr h ALA 195 N 0.67 2.03 -0.01 0.00 0.00 -0.85 0.31 119.26 121.42 1whr h ALA 195 Ca 0.09 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1whr h ALA 195 Cb 0.41 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1whr h ALA 195 CO -0.25 -0.08 -0.66 -0.92 0.00 0.00 0.00 179.25 177.34 1whr h TYR 196 N 0.00 0.03 -0.86 0.00 5.03 0.66 -3.04 116.97 118.80 1whr h TYR 196 Ca 0.03 -0.01 -0.45 0.00 2.58 0.00 0.00 58.73 60.88 1whr h TYR 196 Cb 0.13 -0.01 -0.26 0.00 1.55 0.00 0.00 36.73 38.14 1whr h TYR 196 CO 0.00 0.67 0.57 1.19 -1.32 0.00 0.00 178.16 179.28 1whr n PHE 197 N -3.77 2.64 -3.99 -3.82 3.01 -0.32 -4.87 117.46 106.35 1whr n PHE 197 Ca -0.01 -1.69 -0.29 0.00 1.01 0.00 0.00 57.45 56.47 1whr n PHE 197 Cb 0.65 -0.86 -0.00 0.00 -0.01 0.00 0.00 39.48 39.25 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 -0.90 -0.35 3.67 1.37 0.00 -1.14 -3.96 105.19 103.88 1whr n GLY 198 Ca 0.51 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 46.38 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 -6.60 2.54 -0.36 1.61 -1.94 -0.05 -2.40 119.30 112.10 1whr s MET 199 Ca 0.36 -0.82 -0.01 0.00 -1.71 0.00 0.00 55.69 53.50 1whr s MET 199 Cb -0.19 -2.53 0.09 0.00 2.01 0.00 0.00 34.83 34.21 1whr s MET 199 CO 0.88 0.55 0.10 0.34 -0.01 0.00 0.00 175.02 176.88 1whr s ASP 200 N -2.18 5.02 0.27 3.03 2.15 -1.26 -4.15 116.67 119.55 1whr s ASP 200 Ca 0.24 -1.83 -0.10 0.00 0.43 0.00 0.00 52.55 51.30 1whr s ASP 200 Cb -0.12 -1.74 -0.07 0.00 -0.30 0.00 0.00 42.92 40.69 1whr s ASP 200 CO 0.17 -0.42 0.60 -1.38 -0.17 0.00 0.00 175.17 173.97 1whr s HIS 201 N 1.12 3.43 0.06 -5.34 -3.43 -1.26 -3.91 115.29 105.95 1whr s HIS 201 Ca 0.04 0.90 0.02 0.00 -0.80 0.00 0.00 55.06 55.22 1whr s HIS 201 Cb -0.21 -2.29 -0.03 0.00 -1.43 0.00 0.00 32.58 28.62 1whr s HIS 201 CO -0.04 0.18 -0.07 0.54 -2.00 0.00 0.00 174.74 173.35 1whr s ASN 202 N -2.59 0.89 0.21 7.38 4.22 -0.12 -4.94 114.94 120.00 1whr s ASN 202 Ca 0.48 -0.67 -0.17 0.00 -2.14 0.00 0.00 52.86 50.36 1whr s ASN 202 Cb -0.11 0.06 -0.08 0.00 1.28 0.00 0.00 41.25 42.40 1whr s ASN 202 CO 0.23 -0.28 0.65 0.68 -2.04 0.00 0.00 177.10 176.35 1whr s VAL 203 N -2.00 4.70 0.62 3.54 -7.23 -1.26 -1.42 120.40 117.36 1whr s VAL 203 Ca -0.04 1.03 -0.02 0.00 -1.81 0.00 0.00 61.98 61.14 1whr s VAL 203 Cb -0.06 -3.77 0.06 0.00 0.56 0.00 0.00 36.38 33.17 1whr s VAL 203 CO -0.01 0.15 0.88 1.51 -0.31 0.00 0.00 175.10 177.32 1whr s ASP 204 N -1.79 4.99 0.21 4.85 -4.77 -1.21 -4.82 116.67 114.11 1whr s ASP 204 Ca 0.43 0.09 -0.04 0.00 -3.30 0.00 0.00 52.55 49.72 1whr s ASP 204 Cb -0.15 -0.82 0.37 0.00 -1.09 0.00 0.00 42.92 41.23 1whr s ASP 204 CO 0.20 -1.40 1.12 0.00 0.70 0.00 0.00 175.17 175.80 1whr n GLN 205 N -2.60 -0.06 0.03 2.11 10.64 -1.26 0.12 117.38 126.35 1whr n GLN 205 Ca 0.09 1.11 -0.13 0.00 -1.83 0.00 0.00 57.00 56.25 1whr n GLN 205 Cb 0.60 -1.68 -0.14 0.00 -0.86 0.00 0.00 30.24 28.16 1whr n GLN 205 CO 0.00 0.00 0.00 1.79 -1.83 0.00 0.00 177.06 177.02 1whr h THR 206 N 0.00 1.11 0.00 -0.39 1.35 -1.95 -3.48 112.91 109.56 1whr h THR 206 Ca 0.36 -2.85 0.00 0.00 -0.55 0.00 0.00 66.41 63.38 1whr h THR 206 Cb 0.60 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 1whr h THR 206 CO -0.73 0.74 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 1whr n GLY 207 N 1.60 1.00 0.05 5.82 0.00 0.31 -4.94 105.19 109.04 1whr n GLY 207 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 3.66 0.04 -6.15 1.61 6.56 -1.93 -3.43 116.57 116.93 1whr h LYS 208 Ca 0.00 -0.00 -0.68 0.00 -1.06 0.00 0.00 60.65 58.90 1whr h LYS 208 Cb 0.00 -0.01 -0.18 0.00 -0.57 0.00 0.00 32.23 31.47 1whr h LYS 208 CO 0.00 0.09 -0.69 0.00 -2.06 0.00 0.00 179.45 176.80 1whr s ALA 209 N -5.91 3.02 0.01 3.86 0.00 -1.26 -4.44 121.76 117.03 1whr s ALA 209 Ca -0.13 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 1whr s ALA 209 Cb 0.06 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1whr s ALA 209 CO 0.67 0.58 0.12 0.14 0.00 0.00 0.00 175.76 177.27 1whr s VAL 210 N -0.85 4.94 -0.05 0.00 -7.23 -1.26 -3.32 120.40 112.63 1whr s VAL 210 Ca 0.13 -0.39 0.05 0.00 -1.81 0.00 0.00 61.98 59.97 1whr s VAL 210 Cb -0.11 -3.30 -0.02 0.00 0.56 0.00 0.00 36.38 33.51 1whr s VAL 210 CO 0.02 0.30 -0.21 -0.63 -0.31 0.00 0.00 175.10 174.27 1whr s ILE 211 N -1.28 2.42 0.24 -0.62 1.09 -0.50 -3.13 121.20 119.41 1whr s ILE 211 Ca 0.26 -0.95 0.11 0.00 -1.10 0.00 0.00 60.65 58.97 1whr s ILE 211 Cb -0.12 -1.90 -0.05 0.00 -1.06 0.00 0.00 42.46 39.33 1whr s ILE 211 CO 0.17 0.57 -0.20 0.27 -0.10 0.00 0.00 174.94 175.66 1whr s ILE 212 N -0.38 2.28 0.39 2.92 -4.36 -0.34 -0.94 121.20 120.76 1whr s ILE 212 Ca 0.03 -2.24 0.04 0.00 -0.26 0.00 0.00 60.65 58.22 1whr s ILE 212 Cb -0.12 -2.18 -0.01 0.00 1.25 0.00 0.00 42.46 41.40 1whr s ILE 212 CO 0.02 -0.35 0.14 -0.46 0.24 0.00 0.00 174.94 174.52 1whr n ASN 213 N -0.28 1.24 -4.31 4.36 6.94 -1.25 -0.55 115.26 121.41 1whr n ASN 213 Ca -0.08 -3.04 -0.38 0.00 -0.02 0.00 0.00 54.58 51.06 1whr n ASN 213 Cb 0.59 0.96 -0.12 0.00 -2.36 0.00 0.00 39.78 38.85 1whr n ASN 213 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1whr s LYS 214 N -3.47 2.79 0.31 -3.83 2.20 -1.24 -4.56 119.74 111.96 1whr s LYS 214 Ca 0.19 -1.07 0.11 0.00 -0.36 0.00 0.00 55.97 54.84 1whr s LYS 214 Cb 0.01 -3.45 -0.06 0.00 -1.51 0.00 0.00 37.83 32.82 1whr s LYS 214 CO 0.14 -0.60 -0.13 0.95 -0.36 0.00 0.00 175.35 175.35 1whr s THR 215 N 1.45 2.42 0.24 3.43 -4.23 -1.26 -5.03 115.64 112.66 1whr s THR 215 Ca 0.00 -2.26 -0.04 0.00 -1.18 0.00 0.00 61.69 58.21 1whr s THR 215 Cb -0.19 -2.52 0.22 0.00 1.34 0.00 0.00 72.50 71.35 1whr s THR 215 CO 0.03 -0.29 1.73 0.28 -0.54 0.00 0.00 174.62 175.83 1whr h SER 216 N 2.10 0.26 -0.96 3.99 0.02 -1.98 0.15 113.55 117.13 1whr h SER 216 Ca -0.41 0.11 0.25 0.00 -0.84 0.00 0.00 61.79 60.89 1whr h SER 216 Cb 1.25 0.09 -0.06 0.00 0.14 0.00 0.00 62.40 63.82 1whr h SER 216 CO 0.65 0.10 0.65 0.78 -1.14 0.00 0.00 176.83 177.87 1whr h ASN 217 N 0.43 0.27 -2.29 3.07 2.35 -1.96 -3.38 115.58 114.07 1whr h ASN 217 Ca 0.41 0.04 -0.57 0.00 -0.55 0.00 0.00 56.30 55.63 1whr h ASN 217 Cb 0.63 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 1whr h ASN 217 CO -0.41 0.09 1.39 -0.89 -1.65 0.00 0.00 177.43 175.96 1whr s THR 218 N -5.28 3.25 0.17 2.81 2.01 0.52 -4.55 115.64 114.57 1whr s THR 218 Ca -0.07 0.25 -0.02 0.00 0.31 0.00 0.00 61.69 62.15 1whr s THR 218 Cb 0.23 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1whr s THR 218 CO 0.79 -0.25 0.13 -0.60 -0.69 0.00 0.00 174.62 174.00 1whr s ARG 219 N 6.18 1.09 0.06 4.92 3.52 -1.25 -4.88 118.95 128.59 1whr s ARG 219 Ca 0.89 -1.49 -0.31 0.00 -0.13 0.00 0.00 55.73 54.69 1whr s ARG 219 Cb -0.26 0.28 -0.06 0.00 -1.56 0.00 0.00 34.95 33.34 1whr s ARG 219 CO 0.33 -0.35 1.33 0.42 -0.81 0.00 0.00 175.30 176.22 1whr s ILE 220 N -4.09 3.68 0.16 4.11 1.01 -1.26 -4.73 121.20 120.08 1whr s ILE 220 Ca 0.30 1.17 -0.03 0.00 0.00 0.00 0.00 60.65 62.09 1whr s ILE 220 Cb 0.07 -3.75 0.04 0.00 0.01 0.00 0.00 42.46 38.83 1whr s ILE 220 CO 0.06 0.06 0.14 -0.81 0.00 0.00 0.00 174.94 174.40 1whr n PRO 221 N 4.40 -1.30 0.05 2.79 -0.04 -1.26 -5.00 135.00 134.64 1whr n PRO 221 Ca 0.11 -0.23 -0.21 0.00 -0.04 0.00 0.00 63.50 63.13 1whr n PRO 221 Cb 0.44 -0.22 -0.15 0.00 -0.04 0.00 0.00 33.50 33.54 1whr n PRO 221 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1whr h GLU 222 N 0.00 0.31 -4.11 0.54 4.57 -1.97 -3.48 114.58 110.43 1whr h GLU 222 Ca -0.05 -0.53 -0.11 0.00 -1.18 0.00 0.00 59.36 57.49 1whr h GLU 222 Cb 0.17 0.20 -0.15 0.00 -0.16 0.00 0.00 28.75 28.81 1whr h GLU 222 CO 0.04 1.25 -0.57 -0.65 -1.18 0.00 0.00 179.01 177.89 1whr s GLN 223 N -2.46 0.72 0.47 1.92 -0.21 -1.26 -5.18 119.66 113.66 1whr s GLN 223 Ca -0.15 -1.16 0.06 0.00 0.02 0.00 0.00 55.36 54.13 1whr s GLN 223 Cb 0.02 0.26 -0.02 0.00 1.00 0.00 0.00 33.01 34.27 1whr s GLN 223 CO 0.82 -0.18 0.23 1.03 -2.12 0.00 0.00 175.29 175.08 1whr s ARG 224 N -3.91 2.25 0.00 2.91 0.52 -1.26 -5.01 118.95 114.44 1whr s ARG 224 Ca 0.08 -1.97 0.16 0.00 -0.52 0.00 0.00 55.73 53.49 1whr s ARG 224 Cb 0.07 -1.97 0.83 0.00 0.52 0.00 0.00 34.95 34.40 1whr s ARG 224 CO -0.09 -0.31 1.55 1.19 0.02 0.00 0.00 175.30 177.66 1whr n PHE 225 N -1.42 0.07 0.89 -0.53 3.72 -1.26 -3.34 117.46 115.59 1whr n PHE 225 Ca -0.04 -0.04 0.13 0.00 -0.05 0.00 0.00 57.45 57.46 1whr n PHE 225 Cb 0.65 0.00 0.45 0.00 -0.94 0.00 0.00 39.48 39.63 1whr n PHE 225 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1whr n SER 226 N -0.42 0.33 0.04 4.37 2.88 -1.26 -3.31 113.62 116.25 1whr n SER 226 Ca 0.12 0.30 0.12 0.00 -1.33 0.00 0.00 58.87 58.08 1whr n SER 226 Cb 0.13 -0.31 0.47 0.00 -0.75 0.00 0.00 64.21 63.75 1whr n SER 226 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1whr n GLU 227 N -1.70 0.09 0.05 -1.46 0.28 -1.21 -2.57 120.64 114.12 1whr n GLU 227 Ca 0.06 0.18 0.12 0.00 -0.16 0.00 0.00 57.16 57.36 1whr n GLU 227 Cb 0.37 -1.62 0.14 0.00 1.43 0.00 0.00 31.44 31.75 1whr n GLU 227 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1whr n HIS 228 N -1.78 0.48 -0.68 -1.84 8.25 -1.21 -3.80 115.22 114.65 1whr n HIS 228 Ca 0.05 0.14 0.08 0.00 -0.26 0.00 0.00 57.72 57.73 1whr n HIS 228 Cb 0.30 -0.60 0.24 0.00 1.12 0.00 0.00 29.99 31.04 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 -2.07 1.83 -1.37 1.59 -5.35 -1.06 -5.02 119.36 107.91 1whr n ILE 229 Ca 0.03 -1.51 -0.30 0.00 -0.27 0.00 0.00 62.75 60.70 1whr n ILE 229 Cb 0.44 0.03 0.12 0.00 -1.74 0.00 0.00 39.64 38.49 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 -2.13 1.56 0.10 6.28 -0.14 -1.21 -5.07 119.74 119.15 1whr s LYS 230 Ca 0.37 0.70 -0.26 0.00 -1.36 0.00 0.00 55.97 55.42 1whr s LYS 230 Cb 0.27 -1.85 0.08 0.00 -1.68 0.00 0.00 37.83 34.64 1whr s LYS 230 CO 0.13 -2.00 1.02 0.16 -0.76 0.00 0.00 175.35 173.90 1whr s ASP 231 N -3.66 -0.16 0.23 2.83 -4.77 -1.26 -5.04 116.67 104.83 1whr s ASP 231 Ca 0.62 -0.32 -0.16 0.00 -3.30 0.00 0.00 52.55 49.40 1whr s ASP 231 Cb -0.16 0.41 0.25 0.00 -1.09 0.00 0.00 42.92 42.33 1whr s ASP 231 CO 0.56 -0.75 1.58 -0.08 0.70 0.00 0.00 175.17 177.17 1whr h GLU 232 N 2.00 -0.05 -0.45 2.11 4.81 -2.06 -3.40 114.58 117.54 1whr h GLU 232 Ca -0.25 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.18 1whr h GLU 232 Cb 1.22 0.01 -0.21 0.00 0.63 0.00 0.00 28.75 30.41 1whr h GLU 232 CO 0.26 -0.03 0.01 0.21 -0.73 0.00 0.00 179.01 178.73 1whr s LYS 233 N -6.08 0.25 -0.30 1.92 2.47 -1.26 -5.14 119.74 111.60 1whr s LYS 233 Ca -0.14 0.39 -0.16 0.00 -1.56 0.00 0.00 55.97 54.50 1whr s LYS 233 Cb 0.20 0.21 -0.02 0.00 -1.46 0.00 0.00 37.83 36.76 1whr s LYS 233 CO 0.73 -0.33 0.42 0.54 0.16 0.00 0.00 175.35 176.87 1whr s ASN 234 N 2.93 6.27 -0.45 1.43 4.22 -1.26 -5.02 114.94 123.07 1whr s ASN 234 Ca 0.08 0.14 0.02 0.00 -2.14 0.00 0.00 52.86 50.97 1whr s ASN 234 Cb -0.09 -2.23 0.14 0.00 1.28 0.00 0.00 41.25 40.35 1whr s ASN 234 CO -0.16 -0.29 0.26 0.42 -2.04 0.00 0.00 177.10 175.29 1whr s THR 235 N 2.16 1.37 -0.29 0.54 -4.23 -1.26 -5.06 115.64 108.87 1whr s THR 235 Ca 0.16 -2.64 -0.15 0.00 -1.18 0.00 0.00 61.69 57.87 1whr s THR 235 Cb -0.16 -1.95 0.15 0.00 1.34 0.00 0.00 72.50 71.88 1whr s THR 235 CO 0.11 -0.93 0.97 -0.70 -0.54 0.00 0.00 174.62 173.53 1whr s GLU 236 N 0.24 0.35 -0.26 3.99 -6.30 -1.26 -5.17 118.70 110.28 1whr s GLU 236 Ca 0.19 0.73 -0.27 0.00 -2.50 0.00 0.00 54.97 53.11 1whr s GLU 236 Cb -0.21 0.28 0.16 0.00 0.00 0.00 0.00 34.13 34.37 1whr s GLU 236 CO -0.02 -0.09 1.23 -0.59 0.02 0.00 0.00 175.26 175.80 1whr s PHE 237 N 1.94 -0.21 -0.33 5.30 -0.71 -1.26 -5.13 117.98 117.59 1whr s PHE 237 Ca -0.06 0.43 0.02 0.00 -1.04 0.00 0.00 56.93 56.29 1whr s PHE 237 Cb -0.05 0.46 0.09 0.00 -1.21 0.00 0.00 43.02 42.30 1whr s PHE 237 CO -0.16 -0.14 0.03 -0.65 -1.34 0.00 0.00 175.22 172.95 1whr s GLN 238 N -0.51 1.83 -0.16 1.99 -1.52 -1.26 -5.07 119.66 114.96 1whr s GLN 238 Ca 0.05 -1.68 -0.10 0.00 -1.95 0.00 0.00 55.36 51.68 1whr s GLN 238 Cb -0.03 -3.18 0.05 0.00 -0.22 0.00 0.00 33.01 29.64 1whr s GLN 238 CO -0.07 -0.84 0.39 -1.14 -0.25 0.00 0.00 175.29 173.38 1whr s GLN 239 N 1.02 0.38 -0.16 2.91 0.74 -1.26 -5.15 119.66 118.14 1whr s GLN 239 Ca 0.04 0.73 -0.06 0.00 0.05 0.00 0.00 55.36 56.12 1whr s GLN 239 Cb -0.20 0.00 0.07 0.00 1.10 0.00 0.00 33.01 33.99 1whr s GLN 239 CO -0.06 -0.14 0.34 0.50 -0.55 0.00 0.00 175.29 175.38 1whr s ARG 240 N 1.21 0.26 0.20 1.67 3.52 -1.26 -5.16 118.95 119.38 1whr s ARG 240 Ca -0.08 0.83 0.07 0.00 -0.13 0.00 0.00 55.73 56.42 1whr s ARG 240 Cb -0.08 0.09 -0.04 0.00 -1.56 0.00 0.00 34.95 33.36 1whr s ARG 240 CO -0.10 -0.24 0.09 0.12 -0.81 0.00 0.00 175.30 174.36 1whr s PHE 241 N 2.19 3.00 -0.32 5.12 5.36 -1.26 -5.10 117.98 126.96 1whr s PHE 241 Ca -0.03 -0.10 -0.08 0.00 -0.96 0.00 0.00 56.93 55.76 1whr s PHE 241 Cb -0.11 -1.41 0.01 0.00 -0.34 0.00 0.00 43.02 41.17 1whr s PHE 241 CO -0.11 0.53 0.12 0.42 -1.46 0.00 0.00 175.22 174.73 1whr s ILE 242 N -1.90 4.19 -0.20 3.12 -1.09 -1.26 -4.93 121.20 119.13 1whr s ILE 242 Ca 0.30 -0.73 -0.01 0.00 -2.23 0.00 0.00 60.65 57.99 1whr s ILE 242 Cb -0.09 -3.22 -0.12 0.00 -1.58 0.00 0.00 42.46 37.45 1whr s ILE 242 CO 0.22 -0.02 -0.19 0.18 -1.23 0.00 0.00 174.94 173.90 1whr n LEU 243 N 4.91 2.67 -4.26 2.97 4.77 -1.26 -4.88 117.00 121.92 1whr n LEU 243 Ca -0.14 -0.03 -0.41 0.00 -0.03 0.00 0.00 56.01 55.40 1whr n LEU 243 Cb 0.47 -0.67 -0.09 0.00 -2.33 0.00 0.00 43.42 40.80 1whr n LEU 243 CO 0.33 0.75 -0.05 -0.44 -1.33 0.00 0.00 177.39 176.65 1whr s SER 244 N -6.10 5.74 0.00 -1.43 0.01 -1.26 -4.76 113.70 105.90 1whr s SER 244 Ca -0.27 -1.64 0.00 0.00 1.31 0.00 0.00 55.95 55.35 1whr s SER 244 Cb 0.08 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.28 1whr s SER 244 CO 0.43 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 174.08 1whr n GLY 245 N 4.96 0.05 0.09 3.44 0.00 -1.26 -5.07 105.19 107.40 1whr n GLY 245 Ca -0.10 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 1whr n GLY 245 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whr h PRO 246 N 0.00 0.16 -1.36 1.61 0.13 -1.95 -3.48 132.00 127.11 1whr h PRO 246 Ca 0.00 -0.09 0.13 0.00 -0.87 0.00 0.00 66.00 65.17 1whr h PRO 246 Cb 0.00 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 30.85 1whr h PRO 246 CO 0.00 0.60 0.67 -1.12 -0.23 0.00 0.00 178.00 177.92 1whr s SER 247 N -5.89 -0.26 -0.57 1.44 0.01 -1.26 -5.10 113.70 102.07 1whr s SER 247 Ca -0.15 0.44 -0.37 0.00 1.31 0.00 0.00 55.95 57.18 1whr s SER 247 Cb 0.03 0.43 -0.16 0.00 0.21 0.00 0.00 66.02 66.53 1whr s SER 247 CO 0.71 -0.13 2.31 -1.20 0.41 0.00 0.00 173.24 175.34 1whr n SER 248 N 1.54 1.18 0.00 2.44 7.64 -1.26 -5.29 113.62 119.88 1whr n SER 248 Ca -0.10 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1whr n SER 248 Cb 0.57 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1whr n SER 248 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64