#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bg1 s VAL 137 N 0.00 3.63 0.61 1.55 1.01 -1.26 -5.05 120.40 120.90 1bg1 s VAL 137 Ca 0.00 1.33 0.03 0.00 0.00 0.00 0.00 61.98 63.34 1bg1 s VAL 137 Cb 0.00 -3.85 0.08 0.00 0.00 0.00 0.00 36.38 32.61 1bg1 s VAL 137 CO 0.00 0.19 0.84 0.42 0.00 0.00 0.00 175.10 176.55 1bg1 s THR 138 N 0.18 2.37 0.18 3.92 -4.23 -1.26 -4.96 115.64 111.84 1bg1 s THR 138 Ca 0.54 -0.76 -0.04 0.00 -1.18 0.00 0.00 61.69 60.26 1bg1 s THR 138 Cb -0.32 -2.61 -0.06 0.00 1.34 0.00 0.00 72.50 70.84 1bg1 s THR 138 CO 0.35 0.00 1.49 -0.08 -0.54 0.00 0.00 174.62 175.84 1bg1 h GLU 139 N -0.08 0.59 -0.71 3.99 4.81 -1.99 -2.03 114.58 119.16 1bg1 h GLU 139 Ca -0.37 -0.38 -0.04 0.00 -0.13 0.00 0.00 59.36 58.45 1bg1 h GLU 139 Cb 1.28 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 1bg1 h GLU 139 CO 0.44 0.99 0.30 -0.22 -0.73 0.00 0.00 179.01 179.79 1bg1 h LYS 140 N 0.45 1.04 -0.09 1.92 3.64 -2.00 -1.55 116.57 119.98 1bg1 h LYS 140 Ca 0.01 -0.17 -0.11 0.00 -1.27 0.00 0.00 60.65 59.11 1bg1 h LYS 140 Cb 1.11 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1bg1 h LYS 140 CO 0.11 0.84 -0.45 1.96 -2.27 0.00 0.00 179.45 179.64 1bg1 h GLN 141 N 1.03 0.21 -0.16 1.90 4.20 -1.91 -1.93 115.11 118.45 1bg1 h GLN 141 Ca 0.24 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.86 1bg1 h GLN 141 Cb 0.17 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1bg1 h GLN 141 CO -0.02 0.62 0.07 1.96 -0.67 0.00 0.00 178.83 180.78 1bg1 h GLN 142 N 0.17 0.15 -0.56 1.46 1.08 -0.56 -0.66 115.11 116.19 1bg1 h GLN 142 Ca 0.01 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 1bg1 h GLN 142 Cb 0.86 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.23 1bg1 h GLN 142 CO 0.07 0.10 0.19 0.52 -0.95 0.00 0.00 178.83 178.75 1bg1 h MET 143 N 0.15 0.86 0.15 1.46 2.86 -1.20 -1.04 114.93 118.16 1bg1 h MET 143 Ca 0.07 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1bg1 h MET 143 Cb 0.03 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 1bg1 h MET 143 CO -0.06 0.77 -0.25 1.25 1.06 0.00 0.00 176.91 179.68 1bg1 h LEU 144 N 0.78 -0.70 -0.68 1.22 5.85 -1.03 0.30 115.31 121.05 1bg1 h LEU 144 Ca 0.18 0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.06 1bg1 h LEU 144 Cb 0.26 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 1bg1 h LEU 144 CO -0.01 -0.35 0.35 -0.08 -0.34 0.00 0.00 178.44 178.01 1bg1 h GLU 145 N -0.47 0.60 0.42 1.25 4.57 -0.99 0.07 114.58 120.03 1bg1 h GLU 145 Ca 0.02 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1bg1 h GLU 145 Cb 0.48 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 1bg1 h GLU 145 CO -0.13 0.40 -0.44 0.37 -1.18 0.00 0.00 179.01 178.03 1bg1 h GLN 146 N 0.62 -0.85 -0.92 1.92 5.75 -0.37 -1.45 115.11 119.82 1bg1 h GLN 146 Ca 0.32 0.06 0.09 0.00 -0.15 0.00 0.00 58.65 58.97 1bg1 h GLN 146 Cb 0.28 0.19 -0.07 0.00 1.07 0.00 0.00 27.48 28.96 1bg1 h GLN 146 CO -0.23 -0.57 0.59 0.45 -2.65 0.00 0.00 178.83 176.42 1bg1 h HIS 147 N -0.88 1.01 -0.18 3.99 3.86 -0.03 0.16 115.15 123.09 1bg1 h HIS 147 Ca -0.04 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.14 1bg1 h HIS 147 Cb 0.78 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 1bg1 h HIS 147 CO -0.24 0.47 -0.14 -0.07 0.86 0.00 0.00 177.93 178.82 1bg1 h LEU 148 N 0.94 0.27 -0.11 2.43 4.07 -0.56 -0.89 115.31 121.46 1bg1 h LEU 148 Ca 0.42 -0.06 -0.23 0.00 0.08 0.00 0.00 57.88 58.09 1bg1 h LEU 148 Cb 0.37 -0.07 0.01 0.00 1.08 0.00 0.00 40.66 42.05 1bg1 h LEU 148 CO -0.18 0.43 -0.83 1.56 -1.08 0.00 0.00 178.44 178.34 1bg1 h GLN 149 N 0.27 0.76 -0.87 1.13 4.20 0.29 -1.13 115.11 119.75 1bg1 h GLN 149 Ca 0.05 -0.67 0.04 0.00 0.06 0.00 0.00 58.65 58.13 1bg1 h GLN 149 Cb 0.41 0.16 -0.05 0.00 0.30 0.00 0.00 27.48 28.29 1bg1 h GLN 149 CO 0.02 1.27 0.56 -0.44 -0.67 0.00 0.00 178.83 179.57 1bg1 h ASP 150 N 0.47 0.93 -0.59 1.46 3.32 -0.59 0.18 116.42 121.61 1bg1 h ASP 150 Ca -0.07 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 1bg1 h ASP 150 Cb 1.47 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 1bg1 h ASP 150 CO 0.17 0.64 0.18 0.58 -1.72 0.00 0.00 179.24 179.09 1bg1 h VAL 151 N 1.09 1.24 -0.56 -1.35 2.07 -1.04 -0.57 116.25 117.12 1bg1 h VAL 151 Ca 0.35 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 67.06 1bg1 h VAL 151 Cb 0.02 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1bg1 h VAL 151 CO -0.12 0.31 0.36 -0.09 0.02 0.00 0.00 177.57 178.05 1bg1 h ARG 152 N 0.83 0.71 0.06 1.57 9.65 0.16 -2.31 114.38 125.05 1bg1 h ARG 152 Ca 0.19 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.02 1bg1 h ARG 152 Cb 0.29 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 1bg1 h ARG 152 CO -0.01 0.47 -0.03 -0.22 2.80 0.00 0.00 179.97 182.98 1bg1 h LYS 153 N 0.73 -0.08 -0.89 0.20 1.63 -0.21 -2.43 116.57 115.52 1bg1 h LYS 153 Ca 0.21 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 60.11 1bg1 h LYS 153 Cb -0.05 0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.54 1bg1 h LYS 153 CO -0.06 0.00 0.57 0.00 -3.45 0.00 0.00 179.45 176.51 1bg1 h ARG 154 N -0.14 0.88 -0.48 1.90 3.08 -0.91 -0.11 114.38 118.59 1bg1 h ARG 154 Ca -0.01 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 1bg1 h ARG 154 Cb 0.12 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1bg1 h ARG 154 CO 0.01 0.58 -0.16 0.28 -1.07 0.00 0.00 179.97 179.62 1bg1 h VAL 155 N 0.91 1.27 -0.38 2.04 2.07 -1.21 -1.29 116.25 119.65 1bg1 h VAL 155 Ca 0.41 -1.29 -0.09 0.00 0.82 0.00 0.00 66.70 66.54 1bg1 h VAL 155 Cb 0.36 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1bg1 h VAL 155 CO -0.17 0.45 -0.12 1.56 0.02 0.00 0.00 177.57 179.31 1bg1 h GLN 156 N 0.82 0.76 -0.52 1.57 4.20 -0.63 -0.18 115.11 121.13 1bg1 h GLN 156 Ca 0.12 -0.31 0.03 0.00 0.06 0.00 0.00 58.65 58.56 1bg1 h GLN 156 Cb 0.70 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.41 1bg1 h GLN 156 CO 0.05 0.91 0.30 -0.44 -0.67 0.00 0.00 178.83 178.99 1bg1 h ASP 157 N 0.57 0.48 -0.31 1.46 3.32 -1.02 0.88 116.42 121.78 1bg1 h ASP 157 Ca 0.09 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1bg1 h ASP 157 Cb 0.65 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1bg1 h ASP 157 CO 0.04 0.33 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.77 1bg1 h LEU 158 N 0.59 0.68 -0.83 1.55 3.38 -1.10 0.17 115.31 119.75 1bg1 h LEU 158 Ca 0.21 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1bg1 h LEU 158 Cb 0.05 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1bg1 h LEU 158 CO -0.11 0.78 0.35 -0.08 0.09 0.00 0.00 178.44 179.48 1bg1 h GLU 159 N 0.65 1.21 0.30 1.13 4.57 -0.06 0.62 114.58 123.00 1bg1 h GLU 159 Ca 0.12 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1bg1 h GLU 159 Cb 0.48 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1bg1 h GLU 159 CO 0.02 0.96 -0.15 0.37 -1.18 0.00 0.00 179.01 179.04 1bg1 h GLN 160 N 1.18 -0.39 -0.14 1.92 -0.00 0.09 -2.14 115.11 115.63 1bg1 h GLN 160 Ca 0.28 0.03 0.04 0.00 -0.00 0.00 0.00 58.65 58.99 1bg1 h GLN 160 Cb 0.18 0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.74 1bg1 h GLN 160 CO -0.03 -0.22 0.13 0.87 0.00 0.00 0.00 178.83 179.58 1bg1 h LYS 161 N -0.46 0.00 -0.15 1.69 1.57 -0.63 -0.12 116.57 118.47 1bg1 h LYS 161 Ca -0.04 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.51 1bg1 h LYS 161 Cb 0.35 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.67 1bg1 h LYS 161 CO 0.07 0.00 -0.78 0.52 -0.57 0.00 0.00 179.45 178.69 1bg1 h MET 162 N 0.00 0.79 -0.50 3.15 2.86 -0.37 -2.57 114.93 118.29 1bg1 h MET 162 Ca 0.07 -0.65 -0.01 0.00 -2.06 0.00 0.00 59.70 57.04 1bg1 h MET 162 Cb 0.32 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1bg1 h MET 162 CO -0.00 1.26 0.25 0.87 1.06 0.00 0.00 176.91 180.35 1bg1 h LYS 163 N 0.52 0.70 -0.10 1.72 1.57 -0.41 -1.01 116.57 119.57 1bg1 h LYS 163 Ca -0.06 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1bg1 h LYS 163 Cb 1.41 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 1bg1 h LYS 163 CO 0.16 0.57 0.07 0.28 -0.57 0.00 0.00 179.45 179.96 1bg1 h VAL 164 N 0.66 1.03 -0.04 0.50 2.07 -1.41 -1.33 116.25 117.72 1bg1 h VAL 164 Ca 0.17 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.57 1bg1 h VAL 164 Cb 0.09 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1bg1 h VAL 164 CO -0.02 0.03 -0.28 1.62 0.02 0.00 0.00 177.57 178.93 1bg1 h VAL 165 N 0.14 1.22 0.11 2.57 3.04 -1.25 -1.03 116.25 121.05 1bg1 h VAL 165 Ca 0.04 -1.04 -0.01 0.00 -1.01 0.00 0.00 66.70 64.68 1bg1 h VAL 165 Cb -0.01 1.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1bg1 h VAL 165 CO -0.01 0.30 -0.05 -0.33 -1.01 0.00 0.00 177.57 176.47 1bg1 h GLU 166 N 0.07 -0.15 -0.54 4.17 5.08 -0.85 -1.30 114.58 121.06 1bg1 h GLU 166 Ca 0.01 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1bg1 h GLU 166 Cb 0.53 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1bg1 h GLU 166 CO 0.04 0.26 0.29 -0.91 -1.00 0.00 0.00 179.01 177.68 1bg1 h ASN 167 N -0.60 0.42 -0.59 1.42 -0.26 -1.01 0.88 115.58 115.84 1bg1 h ASN 167 Ca -0.02 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.74 1bg1 h ASN 167 Cb 0.47 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.65 1bg1 h ASN 167 CO 0.03 0.29 0.33 0.25 -1.06 0.00 0.00 177.43 177.27 1bg1 h LEU 168 N 0.55 0.75 -0.65 1.61 5.85 -1.21 0.10 115.31 122.32 1bg1 h LEU 168 Ca 0.24 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 1bg1 h LEU 168 Cb 0.12 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1bg1 h LEU 168 CO -0.15 0.61 -0.09 -0.61 -0.34 0.00 0.00 178.44 177.86 1bg1 h GLN 169 N 0.85 0.96 -0.05 1.25 4.15 0.13 0.19 115.11 122.61 1bg1 h GLN 169 Ca 0.22 -0.34 -0.00 0.00 0.77 0.00 0.00 58.65 59.30 1bg1 h GLN 169 Cb 0.03 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.64 1bg1 h GLN 169 CO -0.04 1.01 0.02 -0.44 -1.93 0.00 0.00 178.83 177.45 1bg1 h ASP 170 N 0.86 0.07 -0.61 -0.69 3.32 -0.12 0.93 116.42 120.18 1bg1 h ASP 170 Ca 0.14 -0.16 0.06 0.00 0.02 0.00 0.00 57.03 57.08 1bg1 h ASP 170 Cb 0.63 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.11 1bg1 h ASP 170 CO 0.04 0.21 0.33 0.44 -1.72 0.00 0.00 179.24 178.54 1bg1 h ASP 171 N -0.09 0.48 -0.65 6.45 3.32 -0.64 -0.29 116.42 124.99 1bg1 h ASP 171 Ca 0.02 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1bg1 h ASP 171 Cb 0.17 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1bg1 h ASP 171 CO -0.00 0.32 0.27 0.15 -1.72 0.00 0.00 179.24 178.25 1bg1 h PHE 172 N 0.62 0.99 0.07 4.55 3.57 -0.32 -1.31 116.94 125.12 1bg1 h PHE 172 Ca 0.27 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 1bg1 h PHE 172 Cb 0.17 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1bg1 h PHE 172 CO -0.09 0.77 -0.04 0.22 -2.23 0.00 0.00 178.31 176.95 1bg1 h ASP 173 N 0.92 -0.08 -0.34 0.41 1.82 -0.10 -0.18 116.42 118.86 1bg1 h ASP 173 Ca 0.22 -0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.77 1bg1 h ASP 173 Cb 0.20 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.21 1bg1 h ASP 173 CO -0.02 0.02 0.17 0.15 -1.61 0.00 0.00 179.24 177.95 1bg1 h PHE 174 N -0.18 0.48 -0.54 0.28 3.04 -1.03 -0.60 116.94 118.39 1bg1 h PHE 174 Ca -0.01 -0.02 0.04 0.00 3.98 0.00 0.00 57.97 61.96 1bg1 h PHE 174 Cb 0.15 -0.15 -0.04 0.00 2.56 0.00 0.00 35.95 38.47 1bg1 h PHE 174 CO -0.05 0.41 0.30 -0.91 -2.02 0.00 0.00 178.31 176.04 1bg1 h ASN 175 N 0.41 0.45 -0.14 0.41 4.21 -1.16 0.14 115.58 119.90 1bg1 h ASN 175 Ca 0.12 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.65 1bg1 h ASN 175 Cb 0.10 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.23 1bg1 h ASN 175 CO -0.02 0.31 0.09 0.22 -1.29 0.00 0.00 177.43 176.74 1bg1 h TYR 176 N 0.58 0.18 0.27 1.19 5.03 -0.86 0.53 116.97 123.88 1bg1 h TYR 176 Ca 0.23 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.55 1bg1 h TYR 176 Cb 0.10 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 38.28 1bg1 h TYR 176 CO -0.08 0.13 -0.37 -0.22 -1.32 0.00 0.00 178.16 176.30 1bg1 h LYS 177 N 0.17 -0.68 -0.95 1.82 3.64 -0.75 -0.94 116.57 118.89 1bg1 h LYS 177 Ca 0.05 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.61 1bg1 h LYS 177 Cb 0.00 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 31.90 1bg1 h LYS 177 CO -0.01 -0.45 0.60 1.15 -2.27 0.00 0.00 179.45 178.47 1bg1 h THR 178 N -0.70 0.88 -0.16 1.00 2.02 -0.54 0.23 112.91 115.64 1bg1 h THR 178 Ca -0.01 -0.29 -0.20 0.00 0.77 0.00 0.00 66.41 66.68 1bg1 h THR 178 Cb 0.67 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1bg1 h THR 178 CO -0.13 0.16 -0.71 0.25 0.37 0.00 0.00 175.52 175.45 1bg1 h LEU 179 N 0.85 0.80 -0.31 2.58 5.85 -0.48 -3.15 115.31 121.45 1bg1 h LEU 179 Ca 0.48 -0.50 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 1bg1 h LEU 179 Cb 0.60 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1bg1 h LEU 179 CO -0.24 1.28 -0.18 0.50 -0.34 0.00 0.00 178.44 179.46 1bg1 h LYS 180 N 0.48 0.67 -3.47 1.25 3.64 -0.64 -3.00 116.57 115.49 1bg1 h LYS 180 Ca -0.03 -0.30 -0.42 0.00 -1.27 0.00 0.00 60.65 58.63 1bg1 h LYS 180 Cb 1.32 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 33.14 1bg1 h LYS 180 CO 0.14 0.90 2.70 0.43 -2.27 0.00 0.00 179.45 181.35 1bg1 n SER 181 N -4.35 5.09 0.00 4.20 7.64 0.02 -1.30 113.62 124.91 1bg1 n SER 181 Ca -0.03 -2.37 0.00 0.00 1.01 0.00 0.00 58.87 57.48 1bg1 n SER 181 Cb 0.40 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 1bg1 n SER 181 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bg1 n GLN 182 N 4.33 0.00 -0.62 1.43 10.64 -1.25 -4.90 117.38 127.02 1bg1 n GLN 182 Ca 0.47 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 55.57 1bg1 n GLN 182 Cb 0.16 0.00 0.14 0.00 -0.86 0.00 0.00 30.24 29.68 1bg1 n GLN 182 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1bg1 n GLY 183 N 0.00 3.03 1.16 2.61 0.00 -0.42 -2.30 105.19 109.26 1bg1 n GLY 183 Ca 0.00 -0.57 0.02 0.00 0.00 0.00 0.00 46.02 45.47 1bg1 n GLY 183 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bg1 n ASP 184 N -0.16 0.49 -2.12 1.61 8.00 -1.24 -5.04 116.55 118.08 1bg1 n ASP 184 Ca 0.27 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.82 1bg1 n ASP 184 Cb 1.03 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.93 1bg1 n ASP 184 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1bg1 n SER 194 N 0.30 -9.01 -4.32 -2.24 2.88 -0.98 -5.02 113.62 95.24 1bg1 n SER 194 Ca 0.00 1.49 -0.36 0.00 -1.33 0.00 0.00 58.87 58.68 1bg1 n SER 194 Cb 0.96 -5.04 -0.13 0.00 -0.75 0.00 0.00 64.21 59.25 1bg1 n SER 194 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1bg1 s VAL 195 N -0.53 3.63 0.18 2.46 1.01 -1.26 -4.88 120.40 121.02 1bg1 s VAL 195 Ca 0.00 -0.63 -0.33 0.00 0.00 0.00 0.00 61.98 61.02 1bg1 s VAL 195 Cb 0.00 -2.78 -0.14 0.00 0.00 0.00 0.00 36.38 33.46 1bg1 s VAL 195 CO 0.00 0.24 1.44 0.41 0.00 0.00 0.00 175.10 177.19 1bg1 n THR 196 N 4.82 0.46 -1.93 3.92 -1.04 -1.26 -4.89 114.28 114.36 1bg1 n THR 196 Ca -0.16 -0.12 -0.41 0.00 -2.04 0.00 0.00 64.05 61.32 1bg1 n THR 196 Cb 0.49 -1.36 -0.01 0.00 -1.82 0.00 0.00 70.33 67.63 1bg1 n THR 196 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1bg1 s ARG 197 N 0.21 4.21 0.00 -2.82 0.52 -1.26 -2.79 118.95 117.02 1bg1 s ARG 197 Ca 0.75 2.42 0.00 0.00 -0.52 0.00 0.00 55.73 58.38 1bg1 s ARG 197 Cb -0.72 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 31.74 1bg1 s ARG 197 CO 0.45 -0.40 0.00 0.94 0.02 0.00 0.00 175.30 176.31 1bg1 n GLN 198 N 0.81 0.00 0.17 3.54 7.27 -1.26 -4.79 117.38 123.12 1bg1 n GLN 198 Ca 0.01 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.13 1bg1 n GLN 198 Cb 0.40 -2.37 0.20 0.00 2.41 0.00 0.00 30.24 30.88 1bg1 n GLN 198 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1bg1 h LYS 199 N 1.32 0.00 -0.18 3.69 1.79 -1.90 -1.55 116.57 119.74 1bg1 h LYS 199 Ca 0.00 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.27 1bg1 h LYS 199 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1bg1 h LYS 199 CO 0.00 0.42 -0.70 1.98 -1.08 0.00 0.00 179.45 180.08 1bg1 h MET 200 N 0.00 0.75 -0.77 3.15 4.05 -1.87 -2.11 114.93 118.14 1bg1 h MET 200 Ca -0.00 -0.57 -0.01 0.00 -0.28 0.00 0.00 59.70 58.84 1bg1 h MET 200 Cb 1.13 0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.99 1bg1 h MET 200 CO 0.05 1.18 0.43 0.37 0.23 0.00 0.00 176.91 179.18 1bg1 h GLN 201 N 0.54 1.06 -0.48 0.39 4.15 -1.84 -1.09 115.11 117.83 1bg1 h GLN 201 Ca -0.03 -0.11 -0.10 0.00 0.77 0.00 0.00 58.65 59.18 1bg1 h GLN 201 Cb 1.31 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.77 1bg1 h GLN 201 CO 0.14 0.77 -0.09 0.37 -1.93 0.00 0.00 178.83 178.09 1bg1 h GLN 202 N 1.07 0.91 -0.12 1.69 4.15 -1.08 -0.89 115.11 120.85 1bg1 h GLN 202 Ca 0.27 -0.34 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 1bg1 h GLN 202 Cb 0.01 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 1bg1 h GLN 202 CO -0.05 0.99 0.07 1.25 -1.93 0.00 0.00 178.83 179.16 1bg1 h LEU 203 N 0.77 0.14 -0.86 -2.39 5.85 -0.85 0.21 115.31 118.17 1bg1 h LEU 203 Ca 0.13 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1bg1 h LEU 203 Cb 0.64 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 1bg1 h LEU 203 CO 0.04 0.17 0.49 -0.33 -0.34 0.00 0.00 178.44 178.47 1bg1 h GLU 204 N 0.11 1.19 -0.06 1.25 5.08 -1.08 -1.21 114.58 119.86 1bg1 h GLU 204 Ca 0.04 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 1bg1 h GLU 204 Cb 0.05 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1bg1 h GLU 204 CO -0.01 0.86 -0.50 1.96 -1.00 0.00 0.00 179.01 180.33 1bg1 h GLN 205 N 1.20 0.15 -0.33 2.33 4.20 -0.98 -1.48 115.11 120.19 1bg1 h GLN 205 Ca 0.31 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.83 1bg1 h GLN 205 Cb 0.01 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1bg1 h GLN 205 CO -0.05 0.62 -0.19 0.52 -0.67 0.00 0.00 178.83 179.05 1bg1 h MET 206 N 0.12 0.72 -0.49 1.46 2.86 -0.33 -1.98 114.93 117.29 1bg1 h MET 206 Ca 0.00 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1bg1 h MET 206 Cb 0.93 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.55 1bg1 h MET 206 CO 0.07 0.94 0.33 1.25 1.06 0.00 0.00 176.91 180.55 1bg1 h LEU 207 N 0.49 0.57 -0.61 1.22 5.85 -0.85 0.32 115.31 122.29 1bg1 h LEU 207 Ca 0.07 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1bg1 h LEU 207 Cb 0.74 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 1bg1 h LEU 207 CO 0.06 0.41 0.38 0.74 -0.34 0.00 0.00 178.44 179.69 1bg1 h THR 208 N 0.67 1.09 -0.80 1.05 2.02 -1.15 -0.60 112.91 115.18 1bg1 h THR 208 Ca 0.18 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1bg1 h THR 208 Cb -0.08 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 66.56 1bg1 h THR 208 CO -0.04 0.14 0.47 0.00 0.37 0.00 0.00 175.52 176.46 1bg1 h ALA 209 N 1.26 1.02 0.04 6.16 0.00 -0.56 -1.51 119.26 125.68 1bg1 h ALA 209 Ca 0.24 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1bg1 h ALA 209 Cb 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1bg1 h ALA 209 CO -0.09 0.50 -0.07 -0.07 0.00 0.00 0.00 179.25 179.51 1bg1 h LEU 210 N 1.10 -0.20 -0.43 0.00 3.38 -0.11 -0.22 115.31 118.82 1bg1 h LEU 210 Ca 0.28 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.37 1bg1 h LEU 210 Cb -0.02 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 1bg1 h LEU 210 CO -0.05 -0.11 -0.08 -0.78 0.09 0.00 0.00 178.44 177.50 1bg1 h ASP 211 N -0.15 -0.35 -0.73 -0.43 3.58 -0.64 0.37 116.42 118.07 1bg1 h ASP 211 Ca 0.02 0.12 -0.05 0.00 0.42 0.00 0.00 57.03 57.54 1bg1 h ASP 211 Cb 0.16 0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.43 1bg1 h ASP 211 CO -0.05 -0.12 0.25 1.56 -2.88 0.00 0.00 179.24 178.00 1bg1 h GLN 212 N 0.02 1.13 -0.67 0.28 4.20 -1.00 -0.77 115.11 118.31 1bg1 h GLN 212 Ca 0.21 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1bg1 h GLN 212 Cb 0.32 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 1bg1 h GLN 212 CO -0.43 0.95 0.18 0.52 -0.67 0.00 0.00 178.83 179.38 1bg1 h MET 213 N 1.09 1.05 -0.22 1.46 2.86 -0.20 -1.44 114.93 119.54 1bg1 h MET 213 Ca 0.24 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1bg1 h MET 213 Cb 0.27 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1bg1 h MET 213 CO -0.01 0.92 0.03 0.00 1.06 0.00 0.00 176.91 178.91 1bg1 h ARG 214 N 1.01 0.36 -0.53 1.72 3.08 -0.44 -0.69 114.38 118.88 1bg1 h ARG 214 Ca 0.22 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 60.20 1bg1 h ARG 214 Cb 0.33 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 1bg1 h ARG 214 CO -0.00 0.51 0.31 0.00 -1.07 0.00 0.00 179.97 179.72 1bg1 h ARG 215 N 0.16 0.59 0.37 0.04 3.08 -1.00 -0.56 114.38 117.06 1bg1 h ARG 215 Ca 0.07 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1bg1 h ARG 215 Cb 0.32 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1bg1 h ARG 215 CO 0.00 0.39 -0.32 1.03 -1.07 0.00 0.00 179.97 180.00 1bg1 h SER 216 N 0.61 -0.86 -0.28 7.04 0.87 -1.10 -1.59 113.55 118.22 1bg1 h SER 216 Ca 0.22 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.90 1bg1 h SER 216 Cb 0.05 0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 1bg1 h SER 216 CO -0.11 -0.47 0.02 0.40 -0.53 0.00 0.00 176.83 176.14 1bg1 h ILE 217 N -0.70 0.82 -0.89 2.23 2.04 -0.83 -1.38 117.51 118.80 1bg1 h ILE 217 Ca -0.03 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 65.83 1bg1 h ILE 217 Cb 0.62 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 1bg1 h ILE 217 CO -0.04 0.02 0.58 0.58 0.00 0.00 0.00 178.15 179.30 1bg1 h VAL 218 N 0.11 1.14 0.01 1.67 2.07 -1.02 0.00 116.25 120.24 1bg1 h VAL 218 Ca 0.13 -0.38 -0.21 0.00 0.82 0.00 0.00 66.70 67.07 1bg1 h VAL 218 Cb 0.16 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 29.85 1bg1 h VAL 218 CO -0.21 0.20 -1.00 0.77 0.02 0.00 0.00 177.57 177.35 1bg1 h SER 219 N 1.10 0.03 0.17 0.57 4.64 -0.63 -2.60 113.55 116.84 1bg1 h SER 219 Ca 0.36 -0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.52 1bg1 h SER 219 Cb 0.04 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1bg1 h SER 219 CO -0.11 1.01 -0.44 -0.33 -0.87 0.00 0.00 176.83 176.10 1bg1 h GLU 220 N 0.01 0.33 -0.30 4.77 5.08 -0.96 -0.97 114.58 122.54 1bg1 h GLU 220 Ca -0.02 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1bg1 h GLU 220 Cb 1.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.00 1bg1 h GLU 220 CO 0.13 0.71 0.00 -0.07 -1.00 0.00 0.00 179.01 178.79 1bg1 h LEU 221 N 0.27 0.52 -0.27 1.33 3.38 -1.00 -1.46 115.31 118.08 1bg1 h LEU 221 Ca 0.02 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1bg1 h LEU 221 Cb 0.88 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1bg1 h LEU 221 CO 0.07 0.69 0.16 0.00 0.09 0.00 0.00 178.44 179.45 1bg1 h ALA 222 N 0.84 0.34 -0.84 1.53 0.00 -1.19 -0.59 119.26 119.35 1bg1 h ALA 222 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1bg1 h ALA 222 Cb 0.43 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1bg1 h ALA 222 CO 0.01 -0.14 0.53 0.78 0.00 0.00 0.00 179.25 180.43 1bg1 h GLY 223 N 0.33 1.20 1.00 0.00 0.00 -1.13 -1.88 103.07 102.59 1bg1 h GLY 223 Ca 0.10 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1bg1 h GLY 223 CO -0.02 0.47 0.31 -2.00 0.00 0.00 0.00 176.54 175.30 1bg1 h LEU 224 N 1.15 0.55 -0.21 3.11 5.85 -0.88 -2.15 115.31 122.73 1bg1 h LEU 224 Ca 0.30 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.04 1bg1 h LEU 224 Cb -0.08 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1bg1 h LEU 224 CO -0.06 0.40 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.35 1bg1 h LEU 225 N 0.64 -0.14 -1.83 2.25 4.07 -0.75 0.25 115.31 119.81 1bg1 h LEU 225 Ca 0.17 0.05 0.03 0.00 0.08 0.00 0.00 57.88 58.22 1bg1 h LEU 225 Cb -0.06 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 1bg1 h LEU 225 CO -0.04 -0.04 0.18 0.28 -1.08 0.00 0.00 178.44 177.74 1bg1 h SER 226 N 0.03 0.20 0.71 -0.43 0.02 -1.00 0.13 113.55 113.21 1bg1 h SER 226 Ca 0.10 -0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.79 1bg1 h SER 226 Cb 0.14 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 1bg1 h SER 226 CO -0.19 0.14 -1.17 0.00 -1.14 0.00 0.00 176.83 174.47 1bg1 h ALA 227 N 1.85 0.17 -0.48 3.77 0.00 -0.65 -2.00 119.26 121.92 1bg1 h ALA 227 Ca 0.11 -0.88 -0.11 0.00 0.00 0.00 0.00 54.91 54.03 1bg1 h ALA 227 Cb 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1bg1 h ALA 227 CO -0.02 1.03 -0.14 0.52 0.00 0.00 0.00 179.25 180.64 1bg1 h MET 228 N 0.06 0.91 -0.68 0.00 2.07 0.98 -1.67 114.93 116.61 1bg1 h MET 228 Ca -0.10 -0.34 -0.07 0.00 -2.07 0.00 0.00 59.70 57.11 1bg1 h MET 228 Cb 1.90 -0.06 -0.03 0.00 -1.87 0.00 0.00 31.60 31.55 1bg1 h MET 228 CO 0.18 0.99 0.13 0.93 1.07 0.00 0.00 176.91 180.22 1bg1 h GLU 229 N 0.81 1.11 0.14 1.72 5.08 -0.78 0.25 114.58 122.90 1bg1 h GLU 229 Ca 0.12 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1bg1 h GLU 229 Cb 0.68 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1bg1 h GLU 229 CO 0.05 1.00 -0.07 -0.92 -1.00 0.00 0.00 179.01 178.07 1bg1 h TYR 230 N 1.03 -0.17 -0.62 4.33 3.20 -1.21 -3.11 116.97 120.42 1bg1 h TYR 230 Ca 0.21 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 1bg1 h TYR 230 Cb 0.41 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 1bg1 h TYR 230 CO 0.03 0.21 0.04 0.28 -1.64 0.00 0.00 178.16 177.07 1bg1 h VAL 231 N -0.60 1.26 -0.84 1.81 2.07 -1.24 -2.93 116.25 115.78 1bg1 h VAL 231 Ca -0.02 -1.10 0.11 0.00 0.82 0.00 0.00 66.70 66.51 1bg1 h VAL 231 Cb 0.46 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 1bg1 h VAL 231 CO 0.03 0.40 0.47 -0.61 0.02 0.00 0.00 177.57 177.88 1bg1 h GLN 232 N 0.97 0.72 -0.80 1.57 4.15 -0.56 0.45 115.11 121.62 1bg1 h GLN 232 Ca 0.18 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 1bg1 h GLN 232 Cb 0.51 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.00 1bg1 h GLN 232 CO 0.02 0.48 0.48 0.87 -1.93 0.00 0.00 178.83 178.74 1bg1 h LYS 233 N 0.74 1.08 -0.46 1.69 1.57 -1.44 0.13 116.57 119.88 1bg1 h LYS 233 Ca 0.42 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 59.01 1bg1 h LYS 233 Cb 0.47 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1bg1 h LYS 233 CO -0.29 0.76 -0.11 1.15 -0.57 0.00 0.00 179.45 180.40 1bg1 h THR 234 N 1.10 1.27 0.77 -0.16 2.02 -0.97 0.64 112.91 117.58 1bg1 h THR 234 Ca 0.29 -1.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.20 1bg1 h THR 234 Cb -0.04 1.11 0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1bg1 h THR 234 CO -0.05 0.42 -0.37 0.25 0.37 0.00 0.00 175.52 176.14 1bg1 h LEU 235 N 0.73 -0.87 0.07 2.58 6.46 -0.00 -1.12 115.31 123.16 1bg1 h LEU 235 Ca 0.12 0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.80 1bg1 h LEU 235 Cb 0.65 0.23 0.01 0.00 -0.73 0.00 0.00 40.66 40.82 1bg1 h LEU 235 CO 0.05 -0.58 -0.42 0.71 -0.62 0.00 0.00 178.44 177.58 1bg1 h THR 236 N -1.11 1.64 0.00 1.05 1.35 -0.82 -1.09 112.91 113.93 1bg1 h THR 236 Ca -0.11 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 63.32 1bg1 h THR 236 Cb 0.80 3.28 0.00 0.00 -1.73 0.00 0.00 68.15 70.50 1bg1 h THR 236 CO 0.17 0.65 -0.11 0.44 -0.25 0.00 0.00 175.52 176.43 1bg1 h ASP 237 N -0.71 0.00 0.00 5.36 3.32 -1.03 -3.13 116.42 120.24 1bg1 h ASP 237 Ca -0.08 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1bg1 h ASP 237 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1bg1 h ASP 237 CO 0.06 0.02 -0.07 -0.62 -1.72 0.00 0.00 179.24 176.91 1bg1 n GLU 238 N -2.27 0.04 -0.15 3.56 1.02 -1.04 -4.53 120.64 117.27 1bg1 n GLU 238 Ca 0.05 0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 57.11 1bg1 n GLU 238 Cb 0.44 -0.36 -0.01 0.00 -0.02 0.00 0.00 31.44 31.50 1bg1 n GLU 238 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1bg1 h GLU 239 N -0.07 0.79 -0.36 3.49 4.39 -1.16 -1.57 114.58 120.08 1bg1 h GLU 239 Ca 0.00 -0.25 -0.10 0.00 0.34 0.00 0.00 59.36 59.35 1bg1 h GLU 239 Cb 0.07 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1bg1 h GLU 239 CO 0.00 0.84 -0.18 1.25 -1.16 0.00 0.00 179.01 179.76 1bg1 h LEU 240 N 0.63 0.79 -1.33 1.33 5.85 -1.29 -2.36 115.31 118.93 1bg1 h LEU 240 Ca 0.13 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 1bg1 h LEU 240 Cb 0.49 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1bg1 h LEU 240 CO 0.02 1.02 0.17 0.00 -0.34 0.00 0.00 178.44 179.31 1bg1 h ALA 241 N 0.79 1.47 -0.32 1.25 0.00 -1.51 -0.96 119.26 119.98 1bg1 h ALA 241 Ca 0.08 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1bg1 h ALA 241 Cb 0.73 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1bg1 h ALA 241 CO 0.05 0.40 0.07 -0.44 0.00 0.00 0.00 179.25 179.34 1bg1 h ASP 242 N 0.62 0.49 -0.21 0.00 3.32 -1.10 -1.56 116.42 117.99 1bg1 h ASP 242 Ca 0.15 -0.24 0.04 0.00 0.02 0.00 0.00 57.03 57.00 1bg1 h ASP 242 Cb 0.14 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 1bg1 h ASP 242 CO -0.01 0.61 -0.02 -0.25 -1.72 0.00 0.00 179.24 177.84 1bg1 h TRP 243 N 0.36 -0.05 -0.83 4.55 7.01 -0.80 0.27 115.95 126.46 1bg1 h TRP 243 Ca 0.10 0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.22 1bg1 h TRP 243 Cb 0.31 0.05 -0.08 0.00 -2.10 0.00 0.00 29.16 27.35 1bg1 h TRP 243 CO 0.02 -0.05 0.47 0.87 -2.79 0.00 0.00 178.44 176.96 1bg1 h LYS 244 N 0.04 0.75 -0.13 2.65 1.57 -1.07 0.17 116.57 120.56 1bg1 h LYS 244 Ca 0.10 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1bg1 h LYS 244 Cb 0.14 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1bg1 h LYS 244 CO -0.19 0.50 0.05 -0.09 -0.57 0.00 0.00 179.45 179.16 1bg1 h ARG 245 N 0.78 0.19 0.00 3.15 9.65 -0.32 -1.63 114.38 126.19 1bg1 h ARG 245 Ca 0.41 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.25 1bg1 h ARG 245 Cb 0.40 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.94 1bg1 h ARG 245 CO -0.26 0.28 0.00 0.07 2.80 0.00 0.00 179.97 182.86 1bg1 h ARG 246 N 0.05 0.00 0.02 0.20 0.11 -0.11 -1.11 114.38 113.55 1bg1 h ARG 246 Ca 0.04 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.86 1bg1 h ARG 246 Cb 0.16 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.26 1bg1 h ARG 246 CO -0.00 0.00 -1.05 0.37 0.10 0.00 0.00 179.97 179.38 1bg1 h GLN 247 N 0.00 0.61 0.24 0.08 4.15 -0.00 -1.01 115.11 119.17 1bg1 h GLN 247 Ca 0.00 -0.68 0.00 0.00 0.77 0.00 0.00 58.65 58.74 1bg1 h GLN 247 Cb 0.35 0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 1bg1 h GLN 247 CO 0.00 1.28 -0.25 1.96 -1.93 0.00 0.00 178.83 179.89 1bg1 h GLN 248 N 0.33 -0.50 -0.97 1.69 4.20 -0.30 -1.58 115.11 117.97 1bg1 h GLN 248 Ca -0.13 0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.70 1bg1 h GLN 248 Cb 1.71 0.11 -0.07 0.00 0.30 0.00 0.00 27.48 29.53 1bg1 h GLN 248 CO 0.20 -0.33 0.61 0.82 -0.67 0.00 0.00 178.83 179.46 1bg1 h ILE 249 N -0.52 1.04 -0.11 2.54 2.04 -1.40 -0.58 117.51 120.52 1bg1 h ILE 249 Ca -0.00 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.41 1bg1 h ILE 249 Cb 0.49 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1bg1 h ILE 249 CO -0.06 0.20 -0.26 0.00 0.00 0.00 0.00 178.15 178.03 1bg1 h ALA 250 N 1.46 1.37 -0.62 1.87 0.00 -0.87 0.66 119.26 123.13 1bg1 h ALA 250 Ca 0.43 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1bg1 h ALA 250 Cb 0.24 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1bg1 h ALA 250 CO -0.19 0.44 0.19 0.00 0.00 0.00 0.00 179.25 179.69 1bg1 n ILE 252 N -4.28 2.26 -0.72 0.00 -5.35 -1.02 -4.64 119.36 105.61 1bg1 n ILE 252 Ca 0.05 -1.15 0.00 0.00 -0.27 0.00 0.00 62.75 61.37 1bg1 n ILE 252 Cb 0.21 -0.57 0.00 0.00 -1.74 0.00 0.00 39.64 37.54 1bg1 n ILE 252 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bg1 n GLY 253 N -0.29 0.73 3.90 3.28 0.00 -0.89 -4.66 105.19 107.25 1bg1 n GLY 253 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 1bg1 n GLY 253 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bg1 s GLY 254 N -1.89 1.69 -0.19 -0.02 0.00 0.19 -4.79 107.32 102.32 1bg1 s GLY 254 Ca 0.00 -0.93 -0.31 0.00 0.00 0.00 0.00 44.72 43.47 1bg1 s GLY 254 CO 0.00 -0.28 2.11 -1.55 0.00 0.00 0.00 173.10 173.37 1bg1 n PRO 255 N -3.61 1.92 0.00 2.90 -0.04 -1.26 -4.46 135.00 130.45 1bg1 n PRO 255 Ca 0.12 0.60 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 1bg1 n PRO 255 Cb 0.60 -2.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 1bg1 n PRO 255 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1bg1 n PRO 256 N 7.98 0.00 -2.36 0.54 -0.04 -1.26 -4.64 135.00 135.23 1bg1 n PRO 256 Ca 0.30 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.72 1bg1 n PRO 256 Cb 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 1bg1 n PRO 256 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1bg1 n ASN 257 N 0.00 -5.65 -1.59 3.54 2.85 -1.26 -4.97 115.26 108.18 1bg1 n ASN 257 Ca 0.00 0.25 -0.13 0.00 -0.11 0.00 0.00 54.58 54.59 1bg1 n ASN 257 Cb 0.00 -3.70 0.08 0.00 1.24 0.00 0.00 39.78 37.40 1bg1 n ASN 257 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1bg1 n ILE 258 N -0.61 2.35 -2.36 -1.44 -5.35 -1.26 -4.91 119.36 105.78 1bg1 n ILE 258 Ca 0.06 -3.82 -0.42 0.00 -0.27 0.00 0.00 62.75 58.29 1bg1 n ILE 258 Cb 0.33 -0.74 -0.03 0.00 -1.74 0.00 0.00 39.64 37.46 1bg1 n ILE 258 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bg1 n LEU 260 N 5.87 0.42 -0.28 0.00 7.99 -1.26 -4.53 117.00 125.22 1bg1 n LEU 260 Ca 0.13 0.35 -0.03 0.00 -0.01 0.00 0.00 56.01 56.45 1bg1 n LEU 260 Cb 0.45 -0.34 0.03 0.00 -0.11 0.00 0.00 43.42 43.45 1bg1 n LEU 260 CO 0.57 -0.02 0.62 0.44 -1.51 0.00 0.00 177.39 177.49 1bg1 h ASP 261 N 0.00 -1.21 0.03 -1.43 3.32 -1.99 -0.35 116.42 114.79 1bg1 h ASP 261 Ca 0.00 0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1bg1 h ASP 261 Cb 0.60 0.63 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 1bg1 h ASP 261 CO 0.00 -0.29 -0.02 0.03 -1.72 0.00 0.00 179.24 177.23 1bg1 h ARG 262 N -0.08 -0.05 -1.00 3.56 3.08 -2.00 -1.56 114.38 116.32 1bg1 h ARG 262 Ca 0.30 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.42 1bg1 h ARG 262 Cb 0.57 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.57 1bg1 h ARG 262 CO -0.82 -0.04 0.65 -0.07 -1.07 0.00 0.00 179.97 178.63 1bg1 h LEU 263 N -0.05 1.03 -0.63 3.04 3.38 -1.72 0.16 115.31 120.53 1bg1 h LEU 263 Ca -0.00 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1bg1 h LEU 263 Cb 0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1bg1 h LEU 263 CO -0.00 0.65 -0.22 -0.08 0.09 0.00 0.00 178.44 178.88 1bg1 h GLU 264 N 1.17 0.85 -0.38 1.13 4.81 -0.84 0.12 114.58 121.43 1bg1 h GLU 264 Ca 0.44 -0.35 -0.12 0.00 -0.13 0.00 0.00 59.36 59.20 1bg1 h GLU 264 Cb 0.19 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1bg1 h GLU 264 CO -0.18 0.99 -0.23 -0.91 -0.73 0.00 0.00 179.01 177.94 1bg1 h ASN 265 N 0.73 0.86 0.03 1.04 2.35 -0.39 -0.92 115.58 119.29 1bg1 h ASN 265 Ca 0.10 -0.42 -0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1bg1 h ASN 265 Cb 0.76 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1bg1 h ASN 265 CO 0.06 1.10 -0.01 -0.50 -1.65 0.00 0.00 177.43 176.43 1bg1 h TRP 266 N 0.63 -0.03 -0.33 1.19 6.55 -0.81 -0.84 115.95 122.30 1bg1 h TRP 266 Ca 0.08 -0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.91 1bg1 h TRP 266 Cb 0.80 0.01 -0.02 0.00 -0.86 0.00 0.00 29.16 29.09 1bg1 h TRP 266 CO 0.06 0.06 0.17 0.82 -1.05 0.00 0.00 178.44 178.51 1bg1 h ILE 267 N -0.12 1.15 -0.68 1.49 2.04 -0.73 -1.79 117.51 118.87 1bg1 h ILE 267 Ca -0.00 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.40 1bg1 h ILE 267 Cb 0.11 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1bg1 h ILE 267 CO 0.01 0.15 0.16 0.74 0.00 0.00 0.00 178.15 179.20 1bg1 h THR 268 N 0.41 1.26 -0.11 -0.27 2.02 -1.10 0.17 112.91 115.29 1bg1 h THR 268 Ca 0.12 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1bg1 h THR 268 Cb 0.08 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1bg1 h THR 268 CO -0.02 0.37 0.07 -1.28 0.37 0.00 0.00 175.52 175.03 1bg1 h SER 269 N 1.02 0.12 -0.73 4.18 0.87 -0.96 -0.96 113.55 117.09 1bg1 h SER 269 Ca 0.21 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1bg1 h SER 269 Cb 0.38 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.27 1bg1 h SER 269 CO 0.00 0.12 0.43 0.25 -0.53 0.00 0.00 176.83 177.10 1bg1 h LEU 270 N 0.12 0.89 -0.62 2.23 5.85 -0.94 -0.87 115.31 121.97 1bg1 h LEU 270 Ca 0.04 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1bg1 h LEU 270 Cb 0.01 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1bg1 h LEU 270 CO -0.01 0.71 0.29 0.00 -0.34 0.00 0.00 178.44 179.09 1bg1 h ALA 271 N 1.22 0.80 -0.38 1.25 0.00 -0.78 0.92 119.26 122.30 1bg1 h ALA 271 Ca 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1bg1 h ALA 271 Cb -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1bg1 h ALA 271 CO -0.05 0.38 0.15 0.93 0.00 0.00 0.00 179.25 180.65 1bg1 h GLU 272 N 0.85 0.57 -0.63 0.00 5.08 -0.81 -0.47 114.58 119.18 1bg1 h GLU 272 Ca 0.21 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1bg1 h GLU 272 Cb 0.14 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1bg1 h GLU 272 CO -0.02 0.55 0.37 0.77 -1.00 0.00 0.00 179.01 179.67 1bg1 h SER 273 N 0.46 0.58 -0.71 1.42 0.02 -0.74 -1.02 113.55 113.56 1bg1 h SER 273 Ca 0.12 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 1bg1 h SER 273 Cb 0.20 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1bg1 h SER 273 CO -0.01 0.40 0.20 1.56 -1.14 0.00 0.00 176.83 177.84 1bg1 h GLN 274 N 0.71 1.13 -0.25 3.45 4.20 -0.43 -0.70 115.11 123.22 1bg1 h GLN 274 Ca 0.26 -0.26 -0.15 0.00 0.06 0.00 0.00 58.65 58.57 1bg1 h GLN 274 Cb 0.08 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1bg1 h GLN 274 CO -0.13 0.98 -0.44 -0.07 -0.67 0.00 0.00 178.83 178.49 1bg1 h LEU 275 N 1.07 0.68 -0.60 1.46 4.07 -0.76 0.27 115.31 121.50 1bg1 h LEU 275 Ca 0.23 -0.32 -0.12 0.00 0.08 0.00 0.00 57.88 57.75 1bg1 h LEU 275 Cb 0.34 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 1bg1 h LEU 275 CO -0.00 1.03 -0.19 -0.61 -1.08 0.00 0.00 178.44 177.59 1bg1 h GLN 276 N 0.51 0.91 -0.63 1.13 4.15 -0.97 -1.11 115.11 119.10 1bg1 h GLN 276 Ca 0.04 -0.36 -0.05 0.00 0.77 0.00 0.00 58.65 59.04 1bg1 h GLN 276 Cb 0.97 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.59 1bg1 h GLN 276 CO 0.09 1.02 0.18 1.15 -1.93 0.00 0.00 178.83 179.34 1bg1 h THR 277 N 0.80 1.24 -0.31 2.39 2.02 -0.85 -1.26 112.91 116.93 1bg1 h THR 277 Ca 0.11 -0.85 -0.11 0.00 0.77 0.00 0.00 66.41 66.33 1bg1 h THR 277 Cb 0.73 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1bg1 h THR 277 CO 0.06 0.33 -0.28 -0.09 0.37 0.00 0.00 175.52 175.90 1bg1 h ARG 278 N 0.94 0.64 -0.11 6.66 2.43 -0.67 -1.63 114.38 122.64 1bg1 h ARG 278 Ca 0.21 -0.27 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 1bg1 h ARG 278 Cb 0.29 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1bg1 h ARG 278 CO -0.01 0.85 -0.24 1.96 -1.51 0.00 0.00 179.97 181.02 1bg1 h GLN 279 N 0.55 0.19 -0.21 0.20 4.20 -0.37 0.14 115.11 119.82 1bg1 h GLN 279 Ca 0.07 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.54 1bg1 h GLN 279 Cb 0.76 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.53 1bg1 h GLN 279 CO 0.06 0.43 -0.58 1.96 -0.67 0.00 0.00 178.83 180.03 1bg1 h GLN 280 N 0.17 0.76 -0.69 1.46 4.20 -1.02 -1.71 115.11 118.29 1bg1 h GLN 280 Ca 0.03 -0.54 -0.06 0.00 0.06 0.00 0.00 58.65 58.14 1bg1 h GLN 280 Cb 0.53 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 1bg1 h GLN 280 CO 0.04 1.16 0.20 0.82 -0.67 0.00 0.00 178.83 180.37 1bg1 h ILE 281 N 0.49 1.26 -0.74 2.54 2.04 -0.84 -0.09 117.51 122.17 1bg1 h ILE 281 Ca -0.01 -0.91 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 1bg1 h ILE 281 Cb 1.20 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1bg1 h ILE 281 CO 0.12 0.35 0.27 0.11 0.00 0.00 0.00 178.15 179.00 1bg1 h LYS 282 N 1.02 1.12 -0.90 2.37 1.57 -0.67 -2.58 116.57 118.49 1bg1 h LYS 282 Ca 0.22 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1bg1 h LYS 282 Cb 0.33 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1bg1 h LYS 282 CO -0.00 0.94 0.50 -0.22 -0.57 0.00 0.00 179.45 180.09 1bg1 h LYS 283 N 1.07 1.25 -0.59 3.15 1.63 -0.71 -1.21 116.57 121.17 1bg1 h LYS 283 Ca 0.24 -0.14 -0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1bg1 h LYS 283 Cb 0.26 -0.25 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 1bg1 h LYS 283 CO -0.01 0.91 0.35 -0.07 -3.45 0.00 0.00 179.45 177.18 1bg1 h LEU 284 N 1.26 0.70 -0.13 5.20 3.38 -0.66 -0.90 115.31 124.17 1bg1 h LEU 284 Ca 0.32 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1bg1 h LEU 284 Cb 0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1bg1 h LEU 284 CO -0.05 0.54 0.06 -0.08 0.09 0.00 0.00 178.44 179.00 1bg1 h GLU 285 N 0.81 0.20 0.00 1.13 4.81 -0.88 -1.70 114.58 118.95 1bg1 h GLU 285 Ca 0.21 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1bg1 h GLU 285 Cb -0.03 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1bg1 h GLU 285 CO -0.04 0.27 0.00 1.05 -0.73 0.00 0.00 179.01 179.56 1bg1 h GLU 286 N 0.08 0.00 0.19 1.92 4.11 -0.98 -1.85 114.58 118.05 1bg1 h GLU 286 Ca 0.05 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.15 1bg1 h GLU 286 Cb 0.14 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.43 1bg1 h GLU 286 CO -0.00 0.00 -1.38 -0.07 0.07 0.00 0.00 179.01 177.63 1bg1 h LEU 287 N 0.00 0.86 -0.94 3.06 4.07 -0.86 -3.07 115.31 118.43 1bg1 h LEU 287 Ca 0.00 -0.86 -0.08 0.00 0.08 0.00 0.00 57.88 57.01 1bg1 h LEU 287 Cb 0.46 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.91 1bg1 h LEU 287 CO 0.00 1.67 -0.13 -0.61 -1.08 0.00 0.00 178.44 178.29 1bg1 h GLN 288 N 0.21 0.63 -0.22 1.13 -0.00 -0.94 -0.42 115.11 115.50 1bg1 h GLN 288 Ca -0.23 -0.20 -0.06 0.00 -0.00 0.00 0.00 58.65 58.17 1bg1 h GLN 288 Cb 2.06 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 29.47 1bg1 h GLN 288 CO 0.26 0.74 -0.11 1.96 0.00 0.00 0.00 178.83 181.68 1bg1 h GLN 289 N 0.57 0.36 0.13 1.69 4.20 -1.38 -3.17 115.11 117.52 1bg1 h GLN 289 Ca 0.10 -0.09 -0.26 0.00 0.06 0.00 0.00 58.65 58.46 1bg1 h GLN 289 Cb 0.56 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.30 1bg1 h GLN 289 CO 0.04 0.48 -1.30 0.87 -0.67 0.00 0.00 178.83 178.25 1bg1 h LYS 290 N 0.34 0.28 -3.83 1.46 1.57 -1.38 -3.46 116.57 111.55 1bg1 h LYS 290 Ca 0.07 -0.48 -0.46 0.00 -1.87 0.00 0.00 60.65 57.91 1bg1 h LYS 290 Cb 0.41 0.18 -0.38 0.00 0.08 0.00 0.00 32.23 32.53 1bg1 h LYS 290 CO 0.02 1.23 -0.78 0.08 -0.57 0.00 0.00 179.45 179.44 1bg1 s VAL 291 N -2.48 0.53 0.20 0.50 1.01 -0.20 -5.12 120.40 114.85 1bg1 s VAL 291 Ca -0.18 0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 1bg1 s VAL 291 Cb 0.04 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1bg1 s VAL 291 CO 0.80 0.28 0.32 -0.55 0.00 0.00 0.00 175.10 175.96 1bg1 s SER 292 N 1.88 0.01 0.06 3.32 0.15 -1.23 -4.06 113.70 113.84 1bg1 s SER 292 Ca 0.05 -1.00 -0.01 0.00 0.70 0.00 0.00 55.95 55.68 1bg1 s SER 292 Cb -0.12 0.48 0.01 0.00 -1.71 0.00 0.00 66.02 64.67 1bg1 s SER 292 CO -0.06 -0.97 0.11 0.00 1.20 0.00 0.00 173.24 173.52 1bg1 n TYR 293 N -0.29 -0.95 -2.99 3.44 0.18 -1.26 -5.08 117.16 110.21 1bg1 n TYR 293 Ca -0.03 -0.34 -0.42 0.00 1.88 0.00 0.00 57.90 58.99 1bg1 n TYR 293 Cb 0.63 0.12 -0.05 0.00 -0.38 0.00 0.00 39.34 39.66 1bg1 n TYR 293 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1bg1 s LYS 294 N -2.07 3.86 0.00 -3.48 2.20 -1.26 -3.44 119.74 115.56 1bg1 s LYS 294 Ca 0.04 0.41 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 1bg1 s LYS 294 Cb -0.01 -3.76 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 1bg1 s LYS 294 CO 0.03 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 174.70 1bg1 n GLY 295 N 4.38 1.01 3.68 5.54 0.00 -1.26 -5.05 105.19 113.49 1bg1 n GLY 295 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1bg1 n GLY 295 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bg1 n ASP 296 N 0.00 4.09 -0.28 1.61 2.03 -1.22 -4.90 116.55 117.87 1bg1 n ASP 296 Ca 0.00 0.96 0.07 0.00 0.52 0.00 0.00 54.79 56.33 1bg1 n ASP 296 Cb 0.00 -1.54 0.29 0.00 -0.72 0.00 0.00 41.12 39.15 1bg1 n ASP 296 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1bg1 h PRO 297 N 9.31 0.88 -0.32 -0.67 0.11 -1.92 -2.87 132.00 136.52 1bg1 h PRO 297 Ca -0.48 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 1bg1 h PRO 297 Cb 1.23 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1bg1 h PRO 297 CO 0.95 0.58 0.05 0.82 -0.21 0.00 0.00 178.00 180.19 1bg1 h ILE 298 N 0.91 1.24 -0.61 4.15 2.04 -1.90 -3.10 117.51 120.23 1bg1 h ILE 298 Ca 0.41 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 1bg1 h ILE 298 Cb 0.36 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1bg1 h ILE 298 CO -0.17 0.27 0.22 -0.37 0.00 0.00 0.00 178.15 178.10 1bg1 h VAL 299 N 0.35 1.24 -0.02 1.67 -1.51 -1.90 -1.62 116.25 114.46 1bg1 h VAL 299 Ca 0.10 -0.78 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 1bg1 h VAL 299 Cb 0.35 0.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.11 1bg1 h VAL 299 CO 0.01 0.30 0.00 0.00 -1.23 0.00 0.00 177.57 176.65 1bg1 n GLN 300 N -4.42 1.09 0.00 5.19 10.64 -1.11 -4.38 117.38 124.39 1bg1 n GLN 300 Ca 0.04 -0.14 0.00 0.00 -1.83 0.00 0.00 57.00 55.07 1bg1 n GLN 300 Cb 0.19 -1.35 0.00 0.00 -0.86 0.00 0.00 30.24 28.22 1bg1 n GLN 300 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1bg1 n HIS 301 N -0.69 0.00 -0.30 2.61 8.25 -1.17 -4.94 115.22 118.97 1bg1 n HIS 301 Ca 0.16 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.72 1bg1 n HIS 301 Cb 0.11 0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.43 1bg1 n HIS 301 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1bg1 h ARG 302 N 0.00 0.07 -1.00 -0.41 2.43 -1.50 -0.83 114.38 113.14 1bg1 h ARG 302 Ca 0.00 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.26 1bg1 h ARG 302 Cb 0.00 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.46 1bg1 h ARG 302 CO 0.00 0.04 0.64 -1.35 -1.51 0.00 0.00 179.97 177.79 1bg1 h PRO 303 N 0.07 1.04 -0.14 0.20 0.11 -1.82 -0.06 132.00 131.40 1bg1 h PRO 303 Ca 0.49 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.40 1bg1 h PRO 303 Cb 0.93 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 1bg1 h PRO 303 CO -0.79 0.69 -0.52 1.98 -0.21 0.00 0.00 178.00 179.16 1bg1 h MET 304 N 1.07 0.38 -0.40 1.05 4.05 -1.54 -1.33 114.93 118.20 1bg1 h MET 304 Ca 0.47 -0.23 -0.09 0.00 -0.28 0.00 0.00 59.70 59.57 1bg1 h MET 304 Cb 0.35 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1bg1 h MET 304 CO -0.23 0.81 -0.11 -0.07 0.23 0.00 0.00 176.91 177.54 1bg1 h LEU 305 N 0.30 0.80 0.10 3.39 3.38 -0.85 -2.13 115.31 120.31 1bg1 h LEU 305 Ca 0.01 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1bg1 h LEU 305 Cb 1.01 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1bg1 h LEU 305 CO 0.09 0.98 -0.05 -0.33 0.09 0.00 0.00 178.44 179.22 1bg1 h GLU 306 N 0.60 -0.13 -0.73 1.13 4.39 -0.85 -1.31 114.58 117.68 1bg1 h GLU 306 Ca 0.10 0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.91 1bg1 h GLU 306 Cb 0.64 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.25 1bg1 h GLU 306 CO 0.04 0.03 0.35 1.49 -1.16 0.00 0.00 179.01 179.76 1bg1 h GLU 307 N -0.27 0.56 -0.30 2.33 4.81 -1.22 -0.37 114.58 120.12 1bg1 h GLU 307 Ca -0.01 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 1bg1 h GLU 307 Cb 0.22 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1bg1 h GLU 307 CO 0.02 0.37 -0.21 0.00 -0.73 0.00 0.00 179.01 178.47 1bg1 h ARG 308 N 0.58 0.68 -0.54 1.92 3.08 -1.27 -2.00 114.38 116.83 1bg1 h ARG 308 Ca 0.37 -0.32 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 1bg1 h ARG 308 Cb 0.42 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1bg1 h ARG 308 CO -0.29 0.93 -0.10 0.97 -1.07 0.00 0.00 179.97 180.41 1bg1 h ILE 309 N 0.43 1.27 -0.35 2.04 6.09 -0.82 -2.01 117.51 124.15 1bg1 h ILE 309 Ca 0.06 -1.25 -0.09 0.00 -1.37 0.00 0.00 64.86 62.21 1bg1 h ILE 309 Cb 0.76 0.96 -0.02 0.00 0.47 0.00 0.00 36.82 39.00 1bg1 h ILE 309 CO 0.06 0.44 -0.17 0.58 -3.07 0.00 0.00 178.15 175.99 1bg1 h VAL 310 N 0.90 1.26 -0.40 2.19 2.07 -1.07 -1.77 116.25 119.42 1bg1 h VAL 310 Ca 0.14 -1.19 -0.14 0.00 0.82 0.00 0.00 66.70 66.33 1bg1 h VAL 310 Cb 0.66 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1bg1 h VAL 310 CO 0.05 0.39 -0.32 -0.08 0.02 0.00 0.00 177.57 177.63 1bg1 h GLU 311 N 0.57 0.90 -0.00 1.57 4.57 -1.23 -0.93 114.58 120.02 1bg1 h GLU 311 Ca 0.09 -0.43 -0.00 0.00 -1.18 0.00 0.00 59.36 57.85 1bg1 h GLU 311 Cb 0.61 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1bg1 h GLU 311 CO 0.04 1.08 0.00 -0.07 -1.18 0.00 0.00 179.01 178.88 1bg1 h LEU 312 N 0.75 0.01 -0.07 1.64 3.38 -1.15 -1.55 115.31 118.32 1bg1 h LEU 312 Ca 0.08 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1bg1 h LEU 312 Cb 0.89 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1bg1 h LEU 312 CO 0.08 0.22 0.03 0.15 0.09 0.00 0.00 178.44 179.01 1bg1 h PHE 313 N -0.20 0.10 -0.30 1.13 3.57 -1.32 0.06 116.94 119.96 1bg1 h PHE 313 Ca 0.00 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 1bg1 h PHE 313 Cb 0.21 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.85 1bg1 h PHE 313 CO -0.00 0.16 -0.17 -0.09 -2.23 0.00 0.00 178.31 175.98 1bg1 h ARG 314 N -0.00 -0.13 -0.25 1.11 2.43 -1.15 -0.26 114.38 116.12 1bg1 h ARG 314 Ca 0.02 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 1bg1 h ARG 314 Cb 0.10 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1bg1 h ARG 314 CO -0.00 -0.08 -0.18 -0.91 -1.51 0.00 0.00 179.97 177.28 1bg1 h ASN 315 N -0.13 0.44 -0.21 -3.80 2.35 -1.11 -2.62 115.58 110.49 1bg1 h ASN 315 Ca 0.16 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1bg1 h ASN 315 Cb 0.37 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1bg1 h ASN 315 CO -0.39 0.64 0.05 0.25 -1.65 0.00 0.00 177.43 176.33 1bg1 h LEU 316 N 0.41 0.32 -0.50 1.61 5.85 -0.07 -2.03 115.31 120.90 1bg1 h LEU 316 Ca 0.07 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.62 1bg1 h LEU 316 Cb 0.55 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 1bg1 h LEU 316 CO 0.04 0.47 0.20 0.24 -0.34 0.00 0.00 178.44 179.04 1bg1 h MET 317 N 0.16 0.38 -0.37 1.25 2.86 -0.90 -0.93 114.93 117.38 1bg1 h MET 317 Ca 0.07 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1bg1 h MET 317 Cb 0.27 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1bg1 h MET 317 CO 0.00 0.25 0.04 0.87 1.06 0.00 0.00 176.91 179.12 1bg1 h LYS 318 N 0.39 0.56 -0.03 1.72 1.57 -1.37 -2.60 116.57 116.79 1bg1 h LYS 318 Ca 0.24 -0.11 -0.18 0.00 -1.87 0.00 0.00 60.65 58.73 1bg1 h LYS 318 Cb 0.23 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1bg1 h LYS 318 CO -0.22 0.56 -0.75 0.77 -0.57 0.00 0.00 179.45 179.23 1bg1 h SER 319 N 0.54 0.30 0.51 0.86 0.02 -0.86 -3.22 113.55 111.69 1bg1 h SER 319 Ca 0.12 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1bg1 h SER 319 Cb 0.29 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1bg1 h SER 319 CO 0.01 0.94 0.00 0.00 -1.14 0.00 0.00 176.83 176.64 1bg1 h ALA 320 N 1.05 1.00 -1.88 3.77 0.00 -0.79 -3.41 119.26 118.99 1bg1 h ALA 320 Ca -0.03 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.25 1bg1 h ALA 320 Cb 1.33 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.98 1bg1 h ALA 320 CO 0.12 0.00 0.44 0.12 0.00 0.00 0.00 179.25 179.92 1bg1 s PHE 321 N -3.72 2.86 0.15 0.00 5.36 -1.16 -0.88 117.98 120.59 1bg1 s PHE 321 Ca -0.01 -0.13 0.02 0.00 -0.96 0.00 0.00 56.93 55.85 1bg1 s PHE 321 Cb 0.10 -3.93 -0.04 0.00 -0.34 0.00 0.00 43.02 38.80 1bg1 s PHE 321 CO 0.42 -1.26 -0.04 0.14 -1.46 0.00 0.00 175.22 173.02 1bg1 s VAL 322 N 3.61 0.79 -0.52 3.12 -7.23 -0.01 -4.70 120.40 115.45 1bg1 s VAL 322 Ca 0.27 -1.98 -0.24 0.00 -1.81 0.00 0.00 61.98 58.22 1bg1 s VAL 322 Cb -0.14 -1.94 0.04 0.00 0.56 0.00 0.00 36.38 34.90 1bg1 s VAL 322 CO 0.18 -0.65 0.88 -0.69 -0.31 0.00 0.00 175.10 174.51 1bg1 s VAL 323 N -3.58 4.49 -0.03 1.32 1.01 -1.26 -0.26 120.40 122.09 1bg1 s VAL 323 Ca 0.19 0.26 -0.23 0.00 0.00 0.00 0.00 61.98 62.20 1bg1 s VAL 323 Cb 0.05 -4.47 -0.24 0.00 0.00 0.00 0.00 36.38 31.72 1bg1 s VAL 323 CO 0.01 -1.00 1.04 -0.08 0.00 0.00 0.00 175.10 175.07 1bg1 h GLU 324 N 9.21 0.27 -4.82 2.72 4.81 -1.35 -3.43 114.58 121.99 1bg1 h GLU 324 Ca -0.26 -0.30 -0.66 0.00 -0.13 0.00 0.00 59.36 58.01 1bg1 h GLU 324 Cb 1.08 0.09 -0.37 0.00 0.63 0.00 0.00 28.75 30.18 1bg1 h GLU 324 CO 1.05 1.02 -0.80 1.03 -0.73 0.00 0.00 179.01 180.58 1bg1 s ARG 325 N -3.08 2.22 0.60 1.92 0.52 -0.63 -4.97 118.95 115.53 1bg1 s ARG 325 Ca -0.15 -1.27 -0.18 0.00 -0.52 0.00 0.00 55.73 53.61 1bg1 s ARG 325 Cb 0.02 -2.83 -0.03 0.00 0.52 0.00 0.00 34.95 32.63 1bg1 s ARG 325 CO 0.78 -0.55 1.21 -0.65 0.02 0.00 0.00 175.30 176.11 1bg1 s GLN 326 N 1.15 2.91 -0.17 3.54 -1.52 -1.26 -1.61 119.66 122.70 1bg1 s GLN 326 Ca -0.08 1.83 -0.39 0.00 -1.95 0.00 0.00 55.36 54.77 1bg1 s GLN 326 Cb -0.19 -1.92 -0.16 0.00 -0.22 0.00 0.00 33.01 30.51 1bg1 s GLN 326 CO -0.06 -1.25 1.61 -2.30 -0.25 0.00 0.00 175.29 173.04 1bg1 n PRO 327 N -1.67 1.11 -3.70 2.91 -0.02 -1.26 -4.72 135.00 127.65 1bg1 n PRO 327 Ca 0.14 0.40 -0.14 0.00 -2.02 0.00 0.00 63.50 61.88 1bg1 n PRO 327 Cb 0.50 -2.07 -0.09 0.00 -0.02 0.00 0.00 33.50 31.82 1bg1 n PRO 327 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bg1 s MET 329 N -0.27 4.28 0.67 0.00 -1.94 -1.26 -1.02 119.30 119.75 1bg1 s MET 329 Ca -0.04 1.15 0.30 0.00 -1.71 0.00 0.00 55.69 55.39 1bg1 s MET 329 Cb -0.03 -3.60 1.64 0.00 2.01 0.00 0.00 34.83 34.85 1bg1 s MET 329 CO 0.03 -0.45 1.93 -1.00 -0.01 0.00 0.00 175.02 175.52 1bg1 h PRO 330 N 7.40 0.00 0.00 2.03 0.13 -1.93 0.27 132.00 139.90 1bg1 h PRO 330 Ca -0.26 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.82 1bg1 h PRO 330 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1bg1 h PRO 330 CO 0.89 0.00 -0.25 0.52 -0.23 0.00 0.00 178.00 178.92 1bg1 h MET 331 N 0.00 0.00 -2.10 0.86 2.86 -1.90 -3.33 114.93 111.33 1bg1 h MET 331 Ca 0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 1bg1 h MET 331 Cb 0.66 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 31.91 1bg1 h MET 331 CO -0.00 0.25 -0.87 0.72 1.06 0.00 0.00 176.91 178.08 1bg1 n HIS 332 N -3.39 1.64 0.21 -0.22 8.25 0.96 -4.95 115.22 117.71 1bg1 n HIS 332 Ca 0.00 -3.86 0.17 0.00 -0.26 0.00 0.00 57.72 53.78 1bg1 n HIS 332 Cb 0.46 -0.45 0.83 0.00 1.12 0.00 0.00 29.99 31.94 1bg1 n HIS 332 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1bg1 h PRO 333 N 3.97 0.00 -0.13 -0.41 0.13 -1.67 0.68 132.00 134.56 1bg1 h PRO 333 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1bg1 h PRO 333 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1bg1 h PRO 333 CO 0.65 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.17 1bg1 n ASP 334 N -3.81 1.96 -2.82 1.44 8.00 -1.26 -4.38 116.55 115.68 1bg1 n ASP 334 Ca 0.02 -1.71 -0.26 0.00 0.71 0.00 0.00 54.79 53.55 1bg1 n ASP 334 Cb 0.32 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.32 1bg1 n ASP 334 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1bg1 n ARG 335 N 0.51 3.02 -1.55 -1.24 5.12 0.23 -4.94 116.66 117.81 1bg1 n ARG 335 Ca 0.17 -4.58 -0.33 0.00 -1.93 0.00 0.00 57.85 51.18 1bg1 n ARG 335 Cb 0.40 -2.16 0.07 0.00 -1.16 0.00 0.00 32.46 29.61 1bg1 n ARG 335 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1bg1 s PRO 336 N -3.39 2.42 -0.21 5.56 0.04 -1.26 -3.56 135.00 134.59 1bg1 s PRO 336 Ca 0.47 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1bg1 s PRO 336 Cb 0.33 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.98 1bg1 s PRO 336 CO -0.14 -1.57 0.00 1.28 0.04 0.00 0.00 177.00 176.61 1bg1 n LEU 337 N -2.68 -0.05 -3.81 -3.56 4.77 0.70 -5.00 117.00 107.37 1bg1 n LEU 337 Ca 0.12 0.05 -0.26 0.00 -0.03 0.00 0.00 56.01 55.88 1bg1 n LEU 337 Cb 0.51 -0.91 -0.17 0.00 -2.33 0.00 0.00 43.42 40.52 1bg1 n LEU 337 CO 0.48 -0.20 -0.39 -0.69 -1.33 0.00 0.00 177.39 175.26 1bg1 s VAL 338 N -1.98 0.70 -0.07 4.08 1.01 -1.23 -1.48 120.40 121.43 1bg1 s VAL 338 Ca 0.00 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.67 1bg1 s VAL 338 Cb 0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 1bg1 s VAL 338 CO 0.00 0.08 -0.24 -0.63 0.00 0.00 0.00 175.10 174.31 1bg1 s ILE 339 N 1.81 1.96 -0.18 2.22 -1.09 -0.65 -4.46 121.20 120.80 1bg1 s ILE 339 Ca 0.02 -1.00 -0.07 0.00 -2.23 0.00 0.00 60.65 57.37 1bg1 s ILE 339 Cb -0.15 -1.67 -0.04 0.00 -1.58 0.00 0.00 42.46 39.03 1bg1 s ILE 339 CO -0.07 0.54 0.04 -0.75 -1.23 0.00 0.00 174.94 173.48 1bg1 s LYS 340 N -0.01 3.92 0.29 2.79 2.20 -1.26 -0.80 119.74 126.87 1bg1 s LYS 340 Ca -0.07 -0.38 -0.29 0.00 -0.36 0.00 0.00 55.97 54.87 1bg1 s LYS 340 Cb -0.14 -3.16 -0.13 0.00 -1.51 0.00 0.00 37.83 32.89 1bg1 s LYS 340 CO 0.05 0.27 1.28 0.25 -0.36 0.00 0.00 175.35 176.84 1bg1 n THR 341 N 3.54 1.58 0.00 3.43 -2.24 -0.50 -2.12 114.28 117.96 1bg1 n THR 341 Ca -0.17 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1bg1 n THR 341 Cb 0.52 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 1bg1 n THR 341 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bg1 n GLY 342 N 1.39 3.20 3.82 3.38 0.00 -0.59 -4.93 105.19 111.47 1bg1 n GLY 342 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1bg1 n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bg1 s VAL 343 N -1.86 5.36 0.42 1.61 1.01 -0.90 -4.94 120.40 121.10 1bg1 s VAL 343 Ca 0.00 0.40 -0.25 0.00 0.00 0.00 0.00 61.98 62.13 1bg1 s VAL 343 Cb 0.00 -3.52 -0.08 0.00 0.00 0.00 0.00 36.38 32.78 1bg1 s VAL 343 CO 0.00 0.55 1.28 -1.10 0.00 0.00 0.00 175.10 175.82 1bg1 s GLN 344 N -0.59 3.90 0.06 2.72 -0.21 -1.25 -4.53 119.66 119.75 1bg1 s GLN 344 Ca 0.16 2.08 -0.00 0.00 0.02 0.00 0.00 55.36 57.62 1bg1 s GLN 344 Cb -0.13 -2.68 -0.04 0.00 1.00 0.00 0.00 33.01 31.16 1bg1 s GLN 344 CO 0.05 -0.53 -0.04 -0.59 -2.12 0.00 0.00 175.29 172.06 1bg1 s PHE 345 N -1.31 0.59 0.11 0.91 -0.71 -0.39 -4.20 117.98 112.98 1bg1 s PHE 345 Ca 0.59 -0.96 0.05 0.00 -1.04 0.00 0.00 56.93 55.56 1bg1 s PHE 345 Cb -0.36 -0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 41.01 1bg1 s PHE 345 CO 0.46 -0.30 -0.11 0.95 -1.34 0.00 0.00 175.22 174.88 1bg1 s THR 346 N -3.53 1.10 0.09 -4.49 -4.23 -0.19 -2.75 115.64 101.63 1bg1 s THR 346 Ca 0.05 -1.72 -0.16 0.00 -1.18 0.00 0.00 61.69 58.68 1bg1 s THR 346 Cb 0.05 -1.48 0.03 0.00 1.34 0.00 0.00 72.50 72.44 1bg1 s THR 346 CO -0.08 -0.54 0.39 0.28 -0.54 0.00 0.00 174.62 174.13 1bg1 s THR 347 N -2.46 0.07 -0.07 3.99 -1.32 -0.76 -1.95 115.64 113.14 1bg1 s THR 347 Ca 0.08 -0.57 -0.06 0.00 -1.21 0.00 0.00 61.69 59.93 1bg1 s THR 347 Cb -0.03 -1.08 0.02 0.00 -1.51 0.00 0.00 72.50 69.90 1bg1 s THR 347 CO 0.01 -0.31 0.17 -0.75 -2.21 0.00 0.00 174.62 171.53 1bg1 s LYS 348 N -3.22 0.20 0.23 7.08 2.20 -0.63 -0.83 119.74 124.77 1bg1 s LYS 348 Ca -0.01 0.24 0.10 0.00 -0.36 0.00 0.00 55.97 55.95 1bg1 s LYS 348 Cb 0.01 0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.38 1bg1 s LYS 348 CO -0.08 -0.03 -0.12 0.14 -0.36 0.00 0.00 175.35 174.90 1bg1 s VAL 349 N 0.11 2.93 0.02 4.02 -7.23 -0.61 -0.92 120.40 118.71 1bg1 s VAL 349 Ca -0.00 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 1bg1 s VAL 349 Cb -0.01 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.41 1bg1 s VAL 349 CO 0.00 -0.27 -0.05 -0.60 -0.31 0.00 0.00 175.10 173.87 1bg1 s ARG 350 N -3.23 0.39 -0.34 4.82 3.52 0.65 -0.88 118.95 123.88 1bg1 s ARG 350 Ca 0.27 -0.44 -0.05 0.00 -0.13 0.00 0.00 55.73 55.39 1bg1 s ARG 350 Cb -0.07 -0.24 0.06 0.00 -1.56 0.00 0.00 34.95 33.14 1bg1 s ARG 350 CO 0.16 0.05 0.10 -1.17 -0.81 0.00 0.00 175.30 173.62 1bg1 s LEU 351 N -0.85 4.39 0.00 -0.88 2.96 -0.77 -0.83 118.68 122.70 1bg1 s LEU 351 Ca -0.05 -1.35 0.12 0.00 -0.22 0.00 0.00 54.13 52.63 1bg1 s LEU 351 Cb -0.06 -1.82 0.73 0.00 0.50 0.00 0.00 46.19 45.54 1bg1 s LEU 351 CO -0.00 -0.36 1.18 0.18 -1.32 0.00 0.00 176.35 176.03 1bg1 n LEU 352 N 4.72 0.00 -4.34 -0.68 4.77 -0.06 -4.26 117.00 117.16 1bg1 n LEU 352 Ca -0.11 0.02 -0.45 0.00 -0.03 0.00 0.00 56.01 55.44 1bg1 n LEU 352 Cb 0.44 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 1bg1 n LEU 352 CO 0.31 -0.01 0.15 -0.69 -1.33 0.00 0.00 177.39 175.82 1bg1 s VAL 353 N -2.04 5.16 -1.17 4.08 1.01 -1.26 -3.84 120.40 122.35 1bg1 s VAL 353 Ca 0.18 -1.32 -0.20 0.00 0.00 0.00 0.00 61.98 60.64 1bg1 s VAL 353 Cb 0.08 -4.31 0.06 0.00 0.00 0.00 0.00 36.38 32.22 1bg1 s VAL 353 CO 0.15 -0.83 1.60 -0.75 0.00 0.00 0.00 175.10 175.26 1bg1 s LYS 354 N 1.76 3.80 -0.28 2.72 2.20 -1.26 -4.86 119.74 123.82 1bg1 s LYS 354 Ca 0.05 -1.59 -0.03 0.00 -0.36 0.00 0.00 55.97 54.04 1bg1 s LYS 354 Cb -0.28 -5.45 0.03 0.00 -1.51 0.00 0.00 37.83 30.62 1bg1 s LYS 354 CO 0.04 -2.23 -0.01 -0.06 -0.36 0.00 0.00 175.35 172.73 1bg1 s PHE 355 N 4.58 3.15 0.40 4.03 0.08 -1.26 -4.99 117.98 123.97 1bg1 s PHE 355 Ca 0.50 -1.54 0.08 0.00 0.12 0.00 0.00 56.93 56.09 1bg1 s PHE 355 Cb 0.02 -2.12 0.83 0.00 -0.57 0.00 0.00 43.02 41.18 1bg1 s PHE 355 CO -0.00 -0.73 1.99 -1.35 -0.10 0.00 0.00 175.22 175.03 1bg1 h PRO 356 N 8.06 0.38 -0.82 0.24 0.11 -1.95 -2.43 132.00 135.59 1bg1 h PRO 356 Ca -0.28 -0.05 0.18 0.00 0.11 0.00 0.00 66.00 65.96 1bg1 h PRO 356 Cb 1.09 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 1bg1 h PRO 356 CO 0.57 0.36 0.55 0.93 -0.21 0.00 0.00 178.00 180.20 1bg1 h GLU 357 N 0.38 0.34 -0.07 1.05 3.07 -2.01 -1.37 114.58 115.97 1bg1 h GLU 357 Ca 0.09 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1bg1 h GLU 357 Cb 0.15 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1bg1 h GLU 357 CO -0.00 0.22 0.00 1.28 -1.40 0.00 0.00 179.01 179.11 1bg1 n LEU 358 N -4.47 0.97 -4.70 1.33 4.77 -0.92 -4.86 117.00 109.13 1bg1 n LEU 358 Ca 0.17 -0.38 -0.42 0.00 -0.03 0.00 0.00 56.01 55.35 1bg1 n LEU 358 Cb 0.65 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.67 1bg1 n LEU 358 CO 0.33 0.19 1.41 0.21 -1.33 0.00 0.00 177.39 178.20 1bg1 s ASN 359 N -1.74 6.42 -1.15 -1.43 2.47 -0.52 -1.38 114.94 117.62 1bg1 s ASN 359 Ca 0.35 2.78 0.00 0.00 0.42 0.00 0.00 52.86 56.41 1bg1 s ASN 359 Cb 0.18 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.40 1bg1 s ASN 359 CO 0.28 -0.98 0.00 -1.22 -3.72 0.00 0.00 177.10 171.47 1bg1 n TYR 360 N 4.89 0.00 -0.07 0.43 4.01 -0.57 -4.86 117.16 120.99 1bg1 n TYR 360 Ca 0.17 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.75 1bg1 n TYR 360 Cb 0.37 -2.29 -0.14 0.00 -0.31 0.00 0.00 39.34 36.98 1bg1 n TYR 360 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1bg1 n GLN 361 N -1.95 0.69 -3.54 -0.72 7.27 -0.48 -4.92 117.38 113.72 1bg1 n GLN 361 Ca -0.11 0.17 -0.36 0.00 0.07 0.00 0.00 57.00 56.77 1bg1 n GLN 361 Cb 0.45 -1.62 -0.06 0.00 2.41 0.00 0.00 30.24 31.42 1bg1 n GLN 361 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1bg1 s LEU 362 N -6.34 4.39 -0.19 1.69 1.43 -1.26 -5.01 118.68 113.39 1bg1 s LEU 362 Ca -0.20 0.86 -0.01 0.00 -1.03 0.00 0.00 54.13 53.75 1bg1 s LEU 362 Cb 0.07 -2.86 0.01 0.00 0.03 0.00 0.00 46.19 43.44 1bg1 s LEU 362 CO 0.74 0.22 -0.14 -0.75 0.23 0.00 0.00 176.35 176.65 1bg1 s LYS 363 N -1.64 3.17 -0.22 1.70 2.20 -1.26 -1.16 119.74 122.52 1bg1 s LYS 363 Ca 0.30 -0.74 -0.11 0.00 -0.36 0.00 0.00 55.97 55.06 1bg1 s LYS 363 Cb -0.15 -2.73 -0.05 0.00 -1.51 0.00 0.00 37.83 33.40 1bg1 s LYS 363 CO 0.16 -0.16 0.18 0.42 -0.36 0.00 0.00 175.35 175.60 1bg1 s ILE 364 N 1.25 5.35 -0.18 5.43 -1.09 0.02 -4.51 121.20 127.47 1bg1 s ILE 364 Ca 0.03 0.25 -0.05 0.00 -2.23 0.00 0.00 60.65 58.65 1bg1 s ILE 364 Cb -0.14 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 1bg1 s ILE 364 CO -0.07 0.36 -0.00 -0.75 -1.23 0.00 0.00 174.94 173.25 1bg1 s LYS 365 N 0.89 3.70 0.16 2.79 2.20 -0.31 -1.54 119.74 127.62 1bg1 s LYS 365 Ca 0.09 -0.49 0.06 0.00 -0.36 0.00 0.00 55.97 55.27 1bg1 s LYS 365 Cb -0.13 -3.05 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 1bg1 s LYS 365 CO 0.03 0.13 0.08 0.54 -0.36 0.00 0.00 175.35 175.78 1bg1 s VAL 366 N 0.68 4.22 0.27 4.02 0.11 -0.86 -1.46 120.40 127.38 1bg1 s VAL 366 Ca -0.00 -1.16 -0.21 0.00 -2.93 0.00 0.00 61.98 57.68 1bg1 s VAL 366 Cb -0.14 -3.13 0.05 0.00 -1.53 0.00 0.00 36.38 31.63 1bg1 s VAL 366 CO 0.02 -0.08 0.83 0.00 -3.33 0.00 0.00 175.10 172.55 1bg1 s ILE 368 N -3.16 0.94 -1.29 0.00 2.07 -1.26 -1.32 121.20 117.18 1bg1 s ILE 368 Ca 0.14 -1.20 -0.04 0.00 -1.41 0.00 0.00 60.65 58.14 1bg1 s ILE 368 Cb -0.04 -0.92 0.01 0.00 0.13 0.00 0.00 42.46 41.63 1bg1 s ILE 368 CO 0.07 -0.25 1.03 0.47 -1.91 0.00 0.00 174.94 174.36 1bg1 n ASP 369 N 1.41 -3.59 -4.92 4.50 8.00 -1.00 -4.83 116.55 116.10 1bg1 n ASP 369 Ca -0.21 -0.62 -0.26 0.00 0.71 0.00 0.00 54.79 54.40 1bg1 n ASP 369 Cb 0.54 -4.91 0.04 0.00 -0.02 0.00 0.00 41.12 36.77 1bg1 n ASP 369 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1bg1 s LYS 370 N -5.82 2.78 0.00 -1.24 2.20 -1.26 -4.25 119.74 112.15 1bg1 s LYS 370 Ca 0.24 -0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.79 1bg1 s LYS 370 Cb -0.11 -2.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.96 1bg1 s LYS 370 CO 0.74 -0.80 0.00 -3.47 -0.36 0.00 0.00 175.35 171.47 1bg1 n ASP 371 N -2.64 0.00 0.27 1.43 -0.08 -1.26 -2.00 116.55 112.27 1bg1 n ASP 371 Ca 0.05 0.00 0.18 0.00 -1.51 0.00 0.00 54.79 53.51 1bg1 n ASP 371 Cb 0.58 0.00 0.90 0.00 2.34 0.00 0.00 41.12 44.94 1bg1 n ASP 371 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1bg1 h SER 372 N 0.00 0.00 -1.05 1.67 0.02 -1.88 -1.95 113.55 110.36 1bg1 h SER 372 Ca 0.00 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.32 1bg1 h SER 372 Cb 0.00 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 62.19 1bg1 h SER 372 CO 0.00 0.00 0.09 0.61 -1.14 0.00 0.00 176.83 176.39 1bg1 n GLY 373 N -0.75 6.06 0.00 -3.77 0.00 -0.84 -4.32 105.19 101.57 1bg1 n GLY 373 Ca -0.01 -2.51 0.00 0.00 0.00 0.00 0.00 46.02 43.50 1bg1 n GLY 373 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bg1 n ASP 374 N -0.76 0.00 0.00 1.61 8.00 -0.75 -4.82 116.55 119.83 1bg1 n ASP 374 Ca 0.53 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.03 1bg1 n ASP 374 Cb 0.74 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 1bg1 n ASP 374 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1bg1 n VAL 375 N -1.09 0.00 -3.58 2.53 0.24 -1.08 -5.08 118.33 110.27 1bg1 n VAL 375 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.92 1bg1 n VAL 375 Cb 0.00 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.31 1bg1 n VAL 375 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bg1 s ALA 376 N -2.00 3.74 0.00 2.33 0.00 -1.26 -4.96 121.76 119.60 1bg1 s ALA 376 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1bg1 s ALA 376 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.82 1bg1 s ALA 376 CO 0.00 0.51 0.00 0.00 0.00 0.00 0.00 175.76 176.27 1bg1 n ALA 377 N 1.81 0.00 -0.74 0.00 0.00 -1.26 -4.60 120.51 115.72 1bg1 n ALA 377 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.97 1bg1 n ALA 377 Cb 0.53 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.12 1bg1 n ALA 377 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1bg1 n LEU 378 N 0.00 1.12 -3.80 0.00 -0.00 -1.26 -5.07 117.00 107.98 1bg1 n LEU 378 Ca 0.00 0.35 -0.12 0.00 -0.00 0.00 0.00 56.01 56.24 1bg1 n LEU 378 Cb 0.00 -1.31 -0.09 0.00 -0.00 0.00 0.00 43.42 42.02 1bg1 n LEU 378 CO 0.00 -3.05 -0.05 -0.60 -0.00 0.00 0.00 177.39 173.69 1bg1 s ARG 379 N -4.04 0.60 0.00 1.47 3.00 -1.26 -4.86 118.95 113.86 1bg1 s ARG 379 Ca 0.61 -0.28 0.00 0.00 -1.00 0.00 0.00 55.73 55.06 1bg1 s ARG 379 Cb -0.22 0.26 0.00 0.00 0.00 0.00 0.00 34.95 34.99 1bg1 s ARG 379 CO 0.64 -0.16 0.00 0.41 0.00 0.00 0.00 175.30 176.19 1bg1 n GLY 380 N 1.33 3.01 3.58 8.12 0.00 -1.26 -4.80 105.19 115.17 1bg1 n GLY 380 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1bg1 n GLY 380 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bg1 n SER 381 N 0.22 -0.11 -4.89 1.61 7.64 -1.26 -4.06 113.62 112.77 1bg1 n SER 381 Ca 0.00 0.57 -0.30 0.00 1.01 0.00 0.00 58.87 60.15 1bg1 n SER 381 Cb 0.00 -1.37 0.02 0.00 -1.01 0.00 0.00 64.21 61.85 1bg1 n SER 381 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1bg1 s ARG 382 N -3.54 3.39 0.03 1.43 0.52 -1.26 -4.97 118.95 114.55 1bg1 s ARG 382 Ca 0.69 0.50 0.04 0.00 -0.52 0.00 0.00 55.73 56.44 1bg1 s ARG 382 Cb -0.30 -2.16 -0.02 0.00 0.52 0.00 0.00 34.95 32.99 1bg1 s ARG 382 CO 0.55 -0.58 -0.13 0.21 0.02 0.00 0.00 175.30 175.37 1bg1 s LYS 383 N -5.09 0.92 0.28 3.54 2.20 -1.26 -5.09 119.74 115.24 1bg1 s LYS 383 Ca 0.54 -0.68 0.03 0.00 -0.36 0.00 0.00 55.97 55.50 1bg1 s LYS 383 Cb -0.11 -0.91 -0.06 0.00 -1.51 0.00 0.00 37.83 35.24 1bg1 s LYS 383 CO 0.51 0.23 0.04 -0.06 -0.36 0.00 0.00 175.35 175.70 1bg1 s PHE 384 N -0.75 1.76 0.03 4.03 0.40 -1.26 -1.04 117.98 121.16 1bg1 s PHE 384 Ca 0.02 -0.97 0.05 0.00 -0.60 0.00 0.00 56.93 55.43 1bg1 s PHE 384 Cb -0.07 -1.09 -0.02 0.00 0.51 0.00 0.00 43.02 42.35 1bg1 s PHE 384 CO 0.01 -0.05 -0.14 -0.80 0.70 0.00 0.00 175.22 174.94 1bg1 s ASN 385 N -3.40 1.63 -0.06 1.36 0.02 -0.63 -4.72 114.94 109.14 1bg1 s ASN 385 Ca 0.34 -0.43 -0.21 0.00 -1.02 0.00 0.00 52.86 51.54 1bg1 s ASN 385 Cb 0.07 -0.11 -0.04 0.00 0.02 0.00 0.00 41.25 41.19 1bg1 s ASN 385 CO 0.13 0.04 0.60 -0.63 0.02 0.00 0.00 177.10 177.26 1bg1 s ILE 386 N -0.80 5.05 0.11 0.60 1.01 -1.26 -2.06 121.20 123.85 1bg1 s ILE 386 Ca 0.02 1.23 0.06 0.00 0.00 0.00 0.00 60.65 61.96 1bg1 s ILE 386 Cb -0.08 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1bg1 s ILE 386 CO 0.01 0.32 -0.05 -0.76 0.00 0.00 0.00 174.94 174.47 1bg1 s LEU 387 N 0.45 3.24 0.00 2.97 1.43 0.16 -4.96 118.68 121.97 1bg1 s LEU 387 Ca 0.32 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1bg1 s LEU 387 Cb -0.17 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.06 1bg1 s LEU 387 CO 0.15 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.51 1bg1 n GLY 388 N 0.53 -0.02 3.57 -3.19 0.00 -1.26 -1.10 105.19 103.70 1bg1 n GLY 388 Ca -0.12 -2.28 -0.40 0.00 0.00 0.00 0.00 46.02 43.22 1bg1 n GLY 388 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bg1 s THR 389 N -0.01 3.49 0.43 2.61 2.01 -1.26 -4.84 115.64 118.06 1bg1 s THR 389 Ca 0.00 0.37 0.13 0.00 0.31 0.00 0.00 61.69 62.50 1bg1 s THR 389 Cb 0.00 -4.02 0.18 0.00 0.01 0.00 0.00 72.50 68.66 1bg1 s THR 389 CO 0.00 -0.90 1.97 -1.13 -0.69 0.00 0.00 174.62 173.88 1bg1 h ASN 390 N 13.50 0.06 -2.44 3.53 -1.24 -1.92 -3.45 115.58 123.62 1bg1 h ASN 390 Ca -0.28 -0.01 -0.57 0.00 0.71 0.00 0.00 56.30 56.15 1bg1 h ASN 390 Cb 1.14 -0.02 -0.14 0.00 0.73 0.00 0.00 38.32 40.04 1bg1 h ASN 390 CO 1.17 0.23 -0.74 0.42 -1.29 0.00 0.00 177.43 177.22 1bg1 s THR 391 N -4.67 2.24 -0.24 -3.57 -4.23 -1.26 -2.02 115.64 101.89 1bg1 s THR 391 Ca -0.04 -2.33 -0.14 0.00 -1.18 0.00 0.00 61.69 58.00 1bg1 s THR 391 Cb 0.16 -2.29 0.07 0.00 1.34 0.00 0.00 72.50 71.78 1bg1 s THR 391 CO 0.71 -0.42 0.58 -0.75 -0.54 0.00 0.00 174.62 174.20 1bg1 s LYS 392 N -3.56 0.59 0.25 3.99 2.47 -0.59 -4.97 119.74 117.92 1bg1 s LYS 392 Ca 0.29 1.06 -0.30 0.00 -1.56 0.00 0.00 55.97 55.46 1bg1 s LYS 392 Cb -0.03 0.08 -0.09 0.00 -1.46 0.00 0.00 37.83 36.33 1bg1 s LYS 392 CO 0.13 -0.15 1.03 0.08 0.16 0.00 0.00 175.35 176.60 1bg1 s VAL 393 N 1.54 3.80 -0.01 4.02 1.01 -1.26 -0.80 120.40 128.70 1bg1 s VAL 393 Ca -0.10 1.78 -0.20 0.00 0.00 0.00 0.00 61.98 63.46 1bg1 s VAL 393 Cb -0.06 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1bg1 s VAL 393 CO -0.17 0.41 0.57 -0.32 0.00 0.00 0.00 175.10 175.59 1bg1 s MET 394 N -1.17 4.29 0.16 2.72 1.75 -0.31 -4.78 119.30 121.96 1bg1 s MET 394 Ca 0.44 0.69 -0.03 0.00 -1.25 0.00 0.00 55.69 55.54 1bg1 s MET 394 Cb -0.29 -3.34 0.01 0.00 2.84 0.00 0.00 34.83 34.05 1bg1 s MET 394 CO 0.36 0.37 0.26 0.27 -0.65 0.00 0.00 175.02 175.64 1bg1 n ASN 395 N 2.74 -0.75 -1.34 1.11 0.23 -0.86 -1.52 115.26 114.87 1bg1 n ASN 395 Ca -0.07 -1.74 -0.02 0.00 -0.53 0.00 0.00 54.58 52.22 1bg1 n ASN 395 Cb 0.51 1.31 0.24 0.00 -2.08 0.00 0.00 39.78 39.76 1bg1 n ASN 395 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1bg1 n MET 396 N -0.23 2.63 0.00 -3.83 2.81 -1.26 -1.56 117.12 115.67 1bg1 n MET 396 Ca -0.02 -3.04 0.00 0.00 -1.81 0.00 0.00 57.70 52.84 1bg1 n MET 396 Cb 0.25 -1.94 0.00 0.00 -0.71 0.00 0.00 33.22 30.81 1bg1 n MET 396 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1bg1 n GLU 397 N -0.73 0.00 0.24 0.03 4.07 -1.26 -1.93 120.64 121.06 1bg1 n GLU 397 Ca 0.33 0.51 0.03 0.00 -0.06 0.00 0.00 57.16 57.98 1bg1 n GLU 397 Cb 1.12 -0.91 0.16 0.00 -0.06 0.00 0.00 31.44 31.75 1bg1 n GLU 397 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1bg1 h GLU 398 N 0.00 0.00 0.00 5.31 5.08 -1.93 -3.44 114.58 119.61 1bg1 h GLU 398 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1bg1 h GLU 398 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1bg1 h GLU 398 CO 0.00 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.88 1bg1 n SER 399 N -2.20 0.00 -4.59 1.42 3.41 -0.81 -4.90 113.62 105.96 1bg1 n SER 399 Ca -0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.19 1bg1 n SER 399 Cb 0.72 -1.85 -0.03 0.00 -0.26 0.00 0.00 64.21 62.80 1bg1 n SER 399 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1bg1 s ASN 400 N -2.11 5.55 0.00 4.04 0.01 -1.26 -1.86 114.94 119.31 1bg1 s ASN 400 Ca 0.00 1.23 0.00 0.00 -0.71 0.00 0.00 52.86 53.38 1bg1 s ASN 400 Cb 0.00 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.14 1bg1 s ASN 400 CO 0.00 -1.99 0.00 0.59 -1.51 0.00 0.00 177.10 174.19 1bg1 n ASN 401 N 11.56 0.00 -3.41 -1.22 4.13 -1.26 -3.52 115.26 121.54 1bg1 n ASN 401 Ca 0.25 0.00 -0.19 0.00 1.68 0.00 0.00 54.58 56.32 1bg1 n ASN 401 Cb 0.48 -0.55 0.08 0.00 -1.54 0.00 0.00 39.78 38.26 1bg1 n ASN 401 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bg1 n GLY 402 N -1.77 -0.39 3.81 7.41 0.00 -0.78 -4.98 105.19 108.49 1bg1 n GLY 402 Ca 0.00 0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1bg1 n GLY 402 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bg1 s SER 403 N -3.96 7.10 -0.04 1.61 0.01 -1.23 -4.86 113.70 112.33 1bg1 s SER 403 Ca 0.20 1.46 -0.30 0.00 1.31 0.00 0.00 55.95 58.62 1bg1 s SER 403 Cb -0.09 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 1bg1 s SER 403 CO 0.71 0.04 1.34 -0.76 0.41 0.00 0.00 173.24 174.98 1bg1 s LEU 404 N -1.90 4.29 0.15 2.44 1.43 -1.26 -4.31 118.68 119.52 1bg1 s LEU 404 Ca 0.43 1.98 -0.14 0.00 -1.03 0.00 0.00 54.13 55.37 1bg1 s LEU 404 Cb -0.17 -3.56 0.02 0.00 0.03 0.00 0.00 46.19 42.51 1bg1 s LEU 404 CO 0.21 -0.70 0.38 -0.94 0.23 0.00 0.00 176.35 175.54 1bg1 s SER 405 N 1.88 -0.13 -0.09 2.29 1.04 -0.60 -1.84 113.70 116.25 1bg1 s SER 405 Ca 0.61 -0.56 -0.03 0.00 0.48 0.00 0.00 55.95 56.45 1bg1 s SER 405 Cb -0.28 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.36 1bg1 s SER 405 CO 0.24 -0.91 0.05 0.00 0.98 0.00 0.00 173.24 173.60 1bg1 s ALA 406 N -3.88 0.44 -0.12 5.32 0.00 -0.06 -2.04 121.76 121.43 1bg1 s ALA 406 Ca 0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 1bg1 s ALA 406 Cb 0.02 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 1bg1 s ALA 406 CO -0.06 -0.71 0.02 -2.00 0.00 0.00 0.00 175.76 173.01 1bg1 s GLU 407 N 2.09 3.36 -0.16 0.00 2.12 -1.26 -1.57 118.70 123.29 1bg1 s GLU 407 Ca 0.04 -0.40 -0.01 0.00 0.36 0.00 0.00 54.97 54.96 1bg1 s GLU 407 Cb -0.13 -2.93 -0.00 0.00 0.26 0.00 0.00 34.13 31.32 1bg1 s GLU 407 CO -0.05 0.52 -0.13 -0.06 -0.54 0.00 0.00 175.26 175.00 1bg1 s PHE 408 N -0.38 2.82 0.34 5.30 0.40 -0.01 -4.99 117.98 121.46 1bg1 s PHE 408 Ca 0.08 -0.96 0.05 0.00 -0.60 0.00 0.00 56.93 55.50 1bg1 s PHE 408 Cb -0.12 -1.92 -0.07 0.00 0.51 0.00 0.00 43.02 41.43 1bg1 s PHE 408 CO 0.02 -0.44 0.03 0.15 0.70 0.00 0.00 175.22 175.68 1bg1 s LYS 409 N 0.84 1.71 -2.19 0.44 1.02 -1.26 -1.83 119.74 118.46 1bg1 s LYS 409 Ca -0.04 -1.94 0.00 0.00 0.02 0.00 0.00 55.97 54.00 1bg1 s LYS 409 Cb -0.15 -1.08 0.00 0.00 -0.52 0.00 0.00 37.83 36.08 1bg1 s LYS 409 CO -0.00 -0.13 0.00 0.72 -0.92 0.00 0.00 175.35 175.02 1bg1 n HIS 410 N -0.74 -0.00 -2.42 3.18 8.25 -1.24 -4.74 115.22 117.51 1bg1 n HIS 410 Ca -0.03 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.09 1bg1 n HIS 410 Cb 0.66 -3.45 -0.02 0.00 1.12 0.00 0.00 29.99 28.30 1bg1 n HIS 410 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1bg1 s LEU 411 N -4.70 3.76 -0.03 2.41 1.43 -1.11 -4.69 118.68 115.76 1bg1 s LEU 411 Ca 0.00 1.90 -0.07 0.00 -1.03 0.00 0.00 54.13 54.94 1bg1 s LEU 411 Cb 0.00 -4.55 0.01 0.00 0.03 0.00 0.00 46.19 41.67 1bg1 s LEU 411 CO 0.00 -0.88 0.15 -0.89 0.23 0.00 0.00 176.35 174.96 1bg1 s THR 412 N -2.09 0.05 0.00 5.49 2.01 -0.26 -1.27 115.64 119.57 1bg1 s THR 412 Ca 0.66 -0.39 0.02 0.00 0.31 0.00 0.00 61.69 62.29 1bg1 s THR 412 Cb -0.16 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 1bg1 s THR 412 CO 0.24 -0.22 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.17 1bg1 s LEU 413 N -0.75 3.38 -0.01 4.42 1.43 -1.26 0.37 118.68 126.26 1bg1 s LEU 413 Ca -0.08 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1bg1 s LEU 413 Cb -0.05 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.25 1bg1 s LEU 413 CO 0.01 0.28 0.01 -0.60 0.23 0.00 0.00 176.35 176.28 1bg1 s ARG 414 N -1.53 0.01 0.30 1.70 3.52 -0.88 -1.55 118.95 120.53 1bg1 s ARG 414 Ca 0.19 0.08 -0.29 0.00 -0.13 0.00 0.00 55.73 55.58 1bg1 s ARG 414 Cb -0.11 -0.15 -0.11 0.00 -1.56 0.00 0.00 34.95 33.02 1bg1 s ARG 414 CO 0.09 -0.08 1.47 -2.00 -0.81 0.00 0.00 175.30 173.98 1bg1 s GLU 415 N 0.53 4.20 -0.58 5.12 2.12 -1.26 -1.60 118.70 127.23 1bg1 s GLU 415 Ca -0.05 2.43 -0.20 0.00 0.36 0.00 0.00 54.97 57.51 1bg1 s GLU 415 Cb -0.07 -3.05 0.08 0.00 0.26 0.00 0.00 34.13 31.35 1bg1 s GLU 415 CO -0.01 -0.47 0.76 -1.14 -0.54 0.00 0.00 175.26 173.86 1bg1 s GLN 416 N -0.99 3.11 0.40 4.30 0.74 -0.20 -4.84 119.66 122.17 1bg1 s GLN 416 Ca 0.57 -0.98 0.05 0.00 0.05 0.00 0.00 55.36 55.05 1bg1 s GLN 416 Cb -0.44 -4.19 -0.00 0.00 1.10 0.00 0.00 33.01 29.48 1bg1 s GLN 416 CO 0.50 -1.51 0.56 0.50 -0.55 0.00 0.00 175.29 174.80 1bg1 s ARG 417 N 3.11 3.01 0.23 1.67 3.52 -1.26 -4.58 118.95 124.65 1bg1 s ARG 417 Ca 0.17 -0.90 0.00 0.00 -0.13 0.00 0.00 55.73 54.87 1bg1 s ARG 417 Cb -0.20 -2.72 0.00 0.00 -1.56 0.00 0.00 34.95 30.47 1bg1 s ARG 417 CO 0.10 -0.14 0.00 0.00 -0.81 0.00 0.00 175.30 174.45 1bg1 n GLY 419 N -1.24 0.54 3.12 0.00 0.00 -1.26 -4.87 105.19 101.47 1bg1 n GLY 419 Ca 0.00 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 1bg1 n GLY 419 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bg1 s ASN 420 N -4.00 2.74 0.00 1.61 4.22 -1.26 -5.08 114.94 113.18 1bg1 s ASN 420 Ca 0.00 -0.51 0.00 0.00 -2.14 0.00 0.00 52.86 50.21 1bg1 s ASN 420 Cb 0.00 -1.25 0.00 0.00 1.28 0.00 0.00 41.25 41.28 1bg1 s ASN 420 CO 0.00 0.06 0.00 0.61 -2.04 0.00 0.00 177.10 175.73 1bg1 n GLY 421 N 4.07 4.62 0.65 0.45 0.00 -1.26 -5.15 105.19 108.57 1bg1 n GLY 421 Ca -0.20 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1bg1 n GLY 421 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bg1 n GLY 422 N 0.00 -1.92 2.40 -0.02 0.00 -1.26 -4.97 105.19 99.43 1bg1 n GLY 422 Ca 0.00 0.61 -0.14 0.00 0.00 0.00 0.00 46.02 46.49 1bg1 n GLY 422 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bg1 n ARG 423 N -2.19 -1.00 -1.09 1.61 1.74 -1.26 -4.99 116.66 109.48 1bg1 n ARG 423 Ca 0.00 0.98 -0.29 0.00 -0.77 0.00 0.00 57.85 57.76 1bg1 n ARG 423 Cb 0.00 -5.09 0.17 0.00 -1.02 0.00 0.00 32.46 26.52 1bg1 n ARG 423 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bg1 s ALA 424 N -2.54 1.02 0.19 7.54 0.00 -1.26 -4.57 121.76 122.13 1bg1 s ALA 424 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1bg1 s ALA 424 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1bg1 s ALA 424 CO 0.00 -2.78 0.00 0.09 0.00 0.00 0.00 175.76 173.07 1bg1 n ASN 425 N -4.16 -4.97 -4.77 0.00 5.03 -1.26 -3.85 115.26 101.27 1bg1 n ASN 425 Ca 0.06 0.87 -0.37 0.00 0.87 0.00 0.00 54.58 56.00 1bg1 n ASN 425 Cb 0.56 -2.43 -0.02 0.00 -1.02 0.00 0.00 39.78 36.87 1bg1 n ASN 425 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1bg1 n ASP 427 N -0.28 -4.76 -1.97 0.00 2.03 -1.26 -0.11 116.55 110.19 1bg1 n ASP 427 Ca 0.06 0.11 -0.20 0.00 0.52 0.00 0.00 54.79 55.28 1bg1 n ASP 427 Cb 0.48 -2.65 -0.05 0.00 -0.72 0.00 0.00 41.12 38.18 1bg1 n ASP 427 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bg1 n ALA 428 N 1.08 -0.46 -2.60 -1.67 0.00 -1.17 -2.25 120.51 113.44 1bg1 n ALA 428 Ca -0.04 0.25 -0.01 0.00 0.00 0.00 0.00 53.44 53.63 1bg1 n ALA 428 Cb 0.35 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1bg1 n ALA 428 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bg1 n SER 429 N -1.62 -6.24 -0.58 0.00 7.64 0.84 -4.65 113.62 109.01 1bg1 n SER 429 Ca -0.22 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1bg1 n SER 429 Cb 0.67 -4.15 0.00 0.00 -1.01 0.00 0.00 64.21 59.72 1bg1 n SER 429 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1bg1 n LEU 430 N -1.28 -3.33 -4.69 -3.43 4.77 -0.96 -4.68 117.00 103.41 1bg1 n LEU 430 Ca 0.02 0.98 -0.30 0.00 -0.03 0.00 0.00 56.01 56.68 1bg1 n LEU 430 Cb 0.46 -0.30 0.15 0.00 -2.33 0.00 0.00 43.42 41.40 1bg1 n LEU 430 CO 0.38 -0.21 0.66 0.27 -1.33 0.00 0.00 177.39 177.16 1bg1 s ILE 431 N -1.25 2.57 0.20 -0.08 -4.36 -1.23 -4.72 121.20 112.32 1bg1 s ILE 431 Ca 0.00 0.18 -0.16 0.00 -0.26 0.00 0.00 60.65 60.41 1bg1 s ILE 431 Cb 0.00 -2.46 0.20 0.00 1.25 0.00 0.00 42.46 41.45 1bg1 s ILE 431 CO 0.00 -0.24 1.61 0.58 0.24 0.00 0.00 174.94 177.13 1bg1 h VAL 432 N -1.68 0.28 0.00 8.37 2.07 -1.94 0.20 116.25 123.56 1bg1 h VAL 432 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1bg1 h VAL 432 Cb 1.27 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1bg1 h VAL 432 CO 0.49 0.00 0.00 0.35 0.02 0.00 0.00 177.57 178.43 1bg1 n THR 433 N -5.44 0.37 0.53 2.57 -2.24 -1.26 -2.19 114.28 106.61 1bg1 n THR 433 Ca 0.06 0.09 0.06 0.00 -2.27 0.00 0.00 64.05 61.99 1bg1 n THR 433 Cb 0.35 -0.78 -0.01 0.00 -2.10 0.00 0.00 70.33 67.78 1bg1 n THR 433 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1bg1 n GLU 434 N -1.24 2.10 -2.77 -0.78 1.02 0.01 -4.52 120.64 114.46 1bg1 n GLU 434 Ca 0.10 -0.59 -0.40 0.00 -0.02 0.00 0.00 57.16 56.24 1bg1 n GLU 434 Cb 0.13 -1.13 -0.05 0.00 -0.02 0.00 0.00 31.44 30.37 1bg1 n GLU 434 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1bg1 s GLU 435 N -1.58 4.75 0.03 3.49 2.12 -0.88 -4.60 118.70 122.02 1bg1 s GLU 435 Ca 0.09 1.43 0.08 0.00 0.36 0.00 0.00 54.97 56.93 1bg1 s GLU 435 Cb 0.09 -3.33 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 1bg1 s GLU 435 CO 0.32 0.38 -0.24 -0.51 -0.54 0.00 0.00 175.26 174.66 1bg1 s LEU 436 N -0.60 2.28 0.18 2.70 1.43 -1.26 -4.44 118.68 118.97 1bg1 s LEU 436 Ca 0.43 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 53.07 1bg1 s LEU 436 Cb -0.24 -1.36 -0.05 0.00 0.03 0.00 0.00 46.19 44.57 1bg1 s LEU 436 CO 0.30 0.27 -0.09 -1.00 0.23 0.00 0.00 176.35 176.07 1bg1 s HIS 437 N -0.79 1.43 -0.02 0.29 3.76 0.39 -4.88 115.29 115.47 1bg1 s HIS 437 Ca 0.12 -0.75 0.05 0.00 -0.15 0.00 0.00 55.06 54.33 1bg1 s HIS 437 Cb -0.10 -0.73 -0.01 0.00 1.11 0.00 0.00 32.58 32.84 1bg1 s HIS 437 CO 0.02 0.12 -0.18 -0.51 -0.85 0.00 0.00 174.74 173.34 1bg1 s LEU 438 N -3.23 2.02 -0.21 0.89 1.43 -1.26 -0.31 118.68 118.00 1bg1 s LEU 438 Ca 0.20 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.90 1bg1 s LEU 438 Cb 0.02 -0.93 -0.04 0.00 0.03 0.00 0.00 46.19 45.27 1bg1 s LEU 438 CO 0.04 0.21 0.08 -0.63 0.23 0.00 0.00 176.35 176.27 1bg1 s ILE 439 N -0.36 4.66 0.05 -0.59 1.01 -1.26 -2.39 121.20 122.33 1bg1 s ILE 439 Ca 0.05 -0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.68 1bg1 s ILE 439 Cb -0.08 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 1bg1 s ILE 439 CO -0.00 0.40 -0.03 -0.89 0.00 0.00 0.00 174.94 174.42 1bg1 s THR 440 N 0.95 3.89 -0.04 2.92 2.01 -0.44 -0.33 115.64 124.59 1bg1 s THR 440 Ca 0.04 -0.88 0.05 0.00 0.31 0.00 0.00 61.69 61.20 1bg1 s THR 440 Cb -0.14 -2.79 -0.00 0.00 0.01 0.00 0.00 72.50 69.58 1bg1 s THR 440 CO 0.03 0.24 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.65 1bg1 s PHE 441 N -1.18 1.84 0.02 4.92 0.40 0.88 -1.70 117.98 123.16 1bg1 s PHE 441 Ca 0.22 -0.53 -0.03 0.00 -0.60 0.00 0.00 56.93 55.99 1bg1 s PHE 441 Cb -0.11 -1.23 -0.01 0.00 0.51 0.00 0.00 43.02 42.17 1bg1 s PHE 441 CO 0.14 -0.17 0.04 -1.21 0.70 0.00 0.00 175.22 174.71 1bg1 s GLU 442 N -0.01 0.45 0.14 0.44 2.02 -0.53 -1.37 118.70 119.84 1bg1 s GLU 442 Ca -0.03 -0.65 -0.25 0.00 0.02 0.00 0.00 54.97 54.05 1bg1 s GLU 442 Cb -0.12 0.17 0.07 0.00 0.10 0.00 0.00 34.13 34.35 1bg1 s GLU 442 CO 0.02 -0.09 0.94 -0.08 0.02 0.00 0.00 175.26 176.07 1bg1 s THR 443 N -1.94 0.00 0.02 3.63 -1.32 -0.67 -1.17 115.64 114.19 1bg1 s THR 443 Ca -0.11 -0.60 0.04 0.00 -1.21 0.00 0.00 61.69 59.81 1bg1 s THR 443 Cb -0.06 -1.88 -0.02 0.00 -1.51 0.00 0.00 72.50 69.04 1bg1 s THR 443 CO -0.02 0.00 -0.14 -1.83 -2.21 0.00 0.00 174.62 170.42 1bg1 s GLU 444 N -3.30 0.97 -0.08 7.08 -1.05 -1.26 -0.84 118.70 120.22 1bg1 s GLU 444 Ca 0.11 -0.64 0.04 0.00 -0.15 0.00 0.00 54.97 54.34 1bg1 s GLU 444 Cb -0.02 -0.96 0.00 0.00 -0.44 0.00 0.00 34.13 32.71 1bg1 s GLU 444 CO 0.01 0.25 -0.21 0.08 0.95 0.00 0.00 175.26 176.34 1bg1 s VAL 445 N -0.63 1.81 -0.30 1.83 1.01 0.70 -4.81 120.40 120.01 1bg1 s VAL 445 Ca 0.03 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1bg1 s VAL 445 Cb -0.07 -1.57 0.05 0.00 0.00 0.00 0.00 36.38 34.80 1bg1 s VAL 445 CO 0.01 0.50 -0.01 -0.31 0.00 0.00 0.00 175.10 175.29 1bg1 s TYR 446 N 0.31 3.29 -0.06 5.22 1.51 -1.25 0.27 117.35 126.64 1bg1 s TYR 446 Ca -0.15 -1.97 -0.01 0.00 -1.01 0.00 0.00 57.07 53.93 1bg1 s TYR 446 Cb -0.16 -2.14 0.03 0.00 -0.11 0.00 0.00 41.96 39.57 1bg1 s TYR 446 CO 0.07 -0.82 -0.01 -1.58 -1.11 0.00 0.00 175.55 172.10 1bg1 s HIS 447 N 1.22 0.63 -1.41 2.71 2.46 0.35 -4.90 115.29 116.34 1bg1 s HIS 447 Ca -0.05 -0.15 -0.06 0.00 0.47 0.00 0.00 55.06 55.28 1bg1 s HIS 447 Cb -0.20 -0.73 0.00 0.00 -0.13 0.00 0.00 32.58 31.53 1bg1 s HIS 447 CO -0.02 -0.28 0.33 1.04 -2.47 0.00 0.00 174.74 173.34 1bg1 n GLN 448 N 4.83 -1.95 -0.42 2.88 6.02 -1.26 -1.73 117.38 125.76 1bg1 n GLN 448 Ca -0.12 0.26 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1bg1 n GLN 448 Cb 0.50 -3.94 0.00 0.00 1.02 0.00 0.00 30.24 27.82 1bg1 n GLN 448 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bg1 n GLY 449 N -2.19 1.25 3.58 1.08 0.00 -1.26 -5.05 105.19 102.60 1bg1 n GLY 449 Ca -0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 1bg1 n GLY 449 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bg1 s LEU 450 N 0.00 3.11 -0.16 0.99 1.43 -0.71 -5.11 118.68 118.23 1bg1 s LEU 450 Ca 0.00 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1bg1 s LEU 450 Cb 0.00 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 1bg1 s LEU 450 CO 0.00 0.27 -0.11 -0.75 0.23 0.00 0.00 176.35 175.99 1bg1 s LYS 451 N -1.46 3.35 -0.08 1.70 2.20 -1.26 -0.50 119.74 123.70 1bg1 s LYS 451 Ca 0.17 -0.68 0.01 0.00 -0.36 0.00 0.00 55.97 55.11 1bg1 s LYS 451 Cb -0.11 -2.72 0.02 0.00 -1.51 0.00 0.00 37.83 33.50 1bg1 s LYS 451 CO 0.08 0.08 -0.10 0.42 -0.36 0.00 0.00 175.35 175.46 1bg1 s ILE 452 N 0.71 1.05 -0.24 5.43 1.01 0.14 -4.96 121.20 124.34 1bg1 s ILE 452 Ca -0.05 -0.39 -0.17 0.00 0.00 0.00 0.00 60.65 60.03 1bg1 s ILE 452 Cb -0.15 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 1bg1 s ILE 452 CO 0.02 0.35 0.45 -1.81 0.00 0.00 0.00 174.94 173.95 1bg1 s ASP 453 N 0.97 6.40 -0.07 3.58 1.01 -1.26 -0.21 116.67 127.09 1bg1 s ASP 453 Ca -0.09 0.47 -0.02 0.00 0.71 0.00 0.00 52.55 53.63 1bg1 s ASP 453 Cb -0.15 -2.25 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 1bg1 s ASP 453 CO 0.00 -0.21 0.02 -0.76 0.21 0.00 0.00 175.17 174.44 1bg1 s LEU 454 N 1.97 3.69 -0.10 1.23 1.43 -0.02 -4.91 118.68 121.96 1bg1 s LEU 454 Ca 0.19 0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 53.32 1bg1 s LEU 454 Cb -0.15 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.18 1bg1 s LEU 454 CO 0.09 0.36 0.35 -0.70 0.23 0.00 0.00 176.35 176.67 1bg1 s GLU 455 N -1.08 0.47 0.21 1.70 2.12 -1.26 -1.67 118.70 119.20 1bg1 s GLU 455 Ca 0.15 0.33 -0.13 0.00 0.36 0.00 0.00 54.97 55.69 1bg1 s GLU 455 Cb -0.11 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.50 1bg1 s GLU 455 CO 0.05 -0.08 0.44 -0.08 -0.54 0.00 0.00 175.26 175.05 1bg1 s THR 456 N -0.17 0.03 0.15 -1.70 -1.32 -0.47 -4.95 115.64 107.21 1bg1 s THR 456 Ca -0.03 -1.23 -0.07 0.00 -1.21 0.00 0.00 61.69 59.15 1bg1 s THR 456 Cb -0.03 -1.93 -0.02 0.00 -1.51 0.00 0.00 72.50 69.01 1bg1 s THR 456 CO 0.01 -0.11 0.22 -1.38 -2.21 0.00 0.00 174.62 171.15 1bg1 s HIS 457 N -3.96 0.52 0.92 9.09 -3.43 -1.26 -0.08 115.29 117.08 1bg1 s HIS 457 Ca 0.17 -0.89 -0.14 0.00 -0.80 0.00 0.00 55.06 53.41 1bg1 s HIS 457 Cb 0.00 -0.17 0.18 0.00 -1.43 0.00 0.00 32.58 31.16 1bg1 s HIS 457 CO 0.03 -0.66 1.27 -1.54 -2.00 0.00 0.00 174.74 171.84 1bg1 s SER 458 N -2.99 3.38 0.51 7.38 1.04 0.55 -4.72 113.70 118.85 1bg1 s SER 458 Ca 0.19 0.21 -0.17 0.00 0.48 0.00 0.00 55.95 56.66 1bg1 s SER 458 Cb 0.05 -0.33 -0.08 0.00 0.10 0.00 0.00 66.02 65.75 1bg1 s SER 458 CO 0.00 -2.56 0.99 -0.76 0.98 0.00 0.00 173.24 171.89 1bg1 s LEU 459 N -5.77 3.65 0.27 2.42 1.43 -1.26 -4.67 118.68 114.75 1bg1 s LEU 459 Ca 0.72 1.60 -0.29 0.00 -1.03 0.00 0.00 54.13 55.13 1bg1 s LEU 459 Cb -0.04 -4.51 -0.14 0.00 0.03 0.00 0.00 46.19 41.52 1bg1 s LEU 459 CO 0.52 -0.59 1.11 -2.65 0.23 0.00 0.00 176.35 174.96 1bg1 n PRO 460 N -1.50 1.48 -4.61 1.29 -0.02 -1.26 -4.78 135.00 125.61 1bg1 n PRO 460 Ca 0.07 0.52 -0.30 0.00 -2.02 0.00 0.00 63.50 61.77 1bg1 n PRO 460 Cb 0.54 -1.96 -0.13 0.00 -0.02 0.00 0.00 33.50 31.93 1bg1 n PRO 460 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1bg1 s VAL 461 N -0.82 2.65 -0.19 -1.45 1.01 0.57 -4.85 120.40 117.33 1bg1 s VAL 461 Ca 0.62 -1.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 1bg1 s VAL 461 Cb -0.70 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1bg1 s VAL 461 CO 0.58 0.28 0.08 -0.69 0.00 0.00 0.00 175.10 175.35 1bg1 s VAL 462 N -0.96 4.96 -0.17 2.92 1.01 -0.55 -0.46 120.40 127.15 1bg1 s VAL 462 Ca 0.15 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 1bg1 s VAL 462 Cb -0.10 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1bg1 s VAL 462 CO 0.06 0.46 -0.00 -0.69 0.00 0.00 0.00 175.10 174.92 1bg1 s VAL 463 N 0.35 4.15 0.31 2.92 1.01 -1.26 -1.64 120.40 126.23 1bg1 s VAL 463 Ca 0.04 -0.26 0.10 0.00 0.00 0.00 0.00 61.98 61.86 1bg1 s VAL 463 Cb -0.12 -2.85 -0.06 0.00 0.00 0.00 0.00 36.38 33.36 1bg1 s VAL 463 CO -0.00 0.47 -0.13 0.27 0.00 0.00 0.00 175.10 175.70 1bg1 s ILE 464 N 0.54 2.23 -0.11 2.22 -4.36 0.02 -4.78 121.20 116.96 1bg1 s ILE 464 Ca -0.01 -2.27 0.12 0.00 -0.26 0.00 0.00 60.65 58.23 1bg1 s ILE 464 Cb -0.14 -2.47 -0.16 0.00 1.25 0.00 0.00 42.46 40.94 1bg1 s ILE 464 CO 0.02 -0.31 0.07 -1.54 0.24 0.00 0.00 174.94 173.43 1bg1 n SER 465 N -0.68 1.86 -4.28 4.36 3.41 -1.26 -1.40 113.62 115.62 1bg1 n SER 465 Ca -0.05 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.33 1bg1 n SER 465 Cb 0.62 0.90 -0.12 0.00 -0.26 0.00 0.00 64.21 65.35 1bg1 n SER 465 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1bg1 s ASN 466 N -4.46 2.42 0.53 4.04 3.84 -1.26 -4.62 114.94 115.43 1bg1 s ASN 466 Ca -0.06 -0.72 0.30 0.00 0.21 0.00 0.00 52.86 52.58 1bg1 s ASN 466 Cb 0.04 -0.13 1.46 0.00 -0.55 0.00 0.00 41.25 42.08 1bg1 s ASN 466 CO 0.53 0.01 2.05 -0.29 -2.79 0.00 0.00 177.10 176.61 1bg1 h ILE 467 N 3.90 0.42 0.00 -5.21 6.09 -2.00 -2.41 117.51 118.30 1bg1 h ILE 467 Ca -0.44 -0.56 0.00 0.00 -1.37 0.00 0.00 64.86 62.48 1bg1 h ILE 467 Cb 1.19 1.40 0.00 0.00 0.47 0.00 0.00 36.82 39.88 1bg1 h ILE 467 CO 0.43 0.10 0.00 0.00 -3.07 0.00 0.00 178.15 175.61 1bg1 n GLN 469 N -2.02 0.25 -0.33 0.00 6.02 -0.91 -4.40 117.38 115.99 1bg1 n GLN 469 Ca 0.00 -0.14 -0.04 0.00 -0.01 0.00 0.00 57.00 56.81 1bg1 n GLN 469 Cb 0.10 -1.50 0.09 0.00 1.02 0.00 0.00 30.24 29.95 1bg1 n GLN 469 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 1bg1 h MET 470 N 0.35 1.25 -0.16 -1.09 4.05 -1.32 -1.18 114.93 116.83 1bg1 h MET 470 Ca 0.00 -0.14 0.04 0.00 -0.28 0.00 0.00 59.70 59.32 1bg1 h MET 470 Cb 0.50 -0.25 -0.04 0.00 -0.80 0.00 0.00 31.60 31.01 1bg1 h MET 470 CO 0.00 0.91 -0.11 -1.35 0.23 0.00 0.00 176.91 176.59 1bg1 h PRO 471 N 1.26 -0.11 -0.65 0.39 0.11 -1.79 0.23 132.00 131.44 1bg1 h PRO 471 Ca 0.32 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.38 1bg1 h PRO 471 Cb 0.02 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.13 1bg1 h PRO 471 CO -0.05 -0.07 0.18 -0.91 -0.21 0.00 0.00 178.00 176.93 1bg1 h ASN 472 N -0.11 0.95 -0.63 -2.05 2.35 -1.82 -1.93 115.58 112.34 1bg1 h ASN 472 Ca 0.10 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1bg1 h ASN 472 Cb 0.25 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 1bg1 h ASN 472 CO -0.23 0.90 0.37 0.00 -1.65 0.00 0.00 177.43 176.83 1bg1 h ALA 473 N 1.22 0.81 -0.41 -0.83 0.00 -0.72 -2.74 119.26 116.60 1bg1 h ALA 473 Ca 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1bg1 h ALA 473 Cb 0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1bg1 h ALA 473 CO -0.00 0.30 0.16 2.35 0.00 0.00 0.00 179.25 182.06 1bg1 h TRP 474 N 0.86 0.62 -0.98 0.00 -0.00 -0.10 -2.15 115.95 114.19 1bg1 h TRP 474 Ca 0.23 -0.05 0.17 0.00 -0.00 0.00 0.00 58.89 59.24 1bg1 h TRP 474 Cb -0.01 -0.19 -0.09 0.00 -0.00 0.00 0.00 29.16 28.88 1bg1 h TRP 474 CO -0.02 0.54 0.61 0.00 -0.00 0.00 0.00 178.44 179.58 1bg1 h ALA 475 N 1.01 1.70 -0.54 2.65 0.00 -1.18 0.29 119.26 123.19 1bg1 h ALA 475 Ca 0.14 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1bg1 h ALA 475 Cb 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1bg1 h ALA 475 CO -0.01 -0.02 0.11 0.77 0.00 0.00 0.00 179.25 180.10 1bg1 h SER 476 N 0.79 0.84 0.09 0.00 0.02 -1.11 -0.90 113.55 113.29 1bg1 h SER 476 Ca 0.53 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 61.15 1bg1 h SER 476 Cb 0.79 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1bg1 h SER 476 CO -0.30 0.87 -0.27 0.40 -1.14 0.00 0.00 176.83 176.38 1bg1 h ILE 477 N 0.77 1.26 0.50 3.27 1.08 -0.34 -0.62 117.51 123.42 1bg1 h ILE 477 Ca 0.17 -1.21 -0.02 0.00 -0.39 0.00 0.00 64.86 63.40 1bg1 h ILE 477 Cb 0.38 1.44 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 1bg1 h ILE 477 CO 0.01 0.37 -0.24 -0.07 -0.69 0.00 0.00 178.15 177.53 1bg1 h LEU 478 N 0.27 -0.57 -0.54 1.44 3.38 -0.19 -2.45 115.31 116.64 1bg1 h LEU 478 Ca 0.04 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.01 1bg1 h LEU 478 Cb 0.63 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 1bg1 h LEU 478 CO 0.05 -0.21 0.23 -0.25 0.09 0.00 0.00 178.44 178.35 1bg1 h TRP 479 N -0.98 0.42 0.85 1.13 2.91 -1.07 0.45 115.95 119.66 1bg1 h TRP 479 Ca -0.07 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 59.94 1bg1 h TRP 479 Cb 0.61 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.15 1bg1 h TRP 479 CO 0.01 0.16 -0.46 -0.92 -1.03 0.00 0.00 178.44 176.20 1bg1 h TYR 480 N 0.44 -1.20 0.00 2.65 5.03 -1.18 -1.91 116.97 120.80 1bg1 h TYR 480 Ca 0.26 -0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.48 1bg1 h TYR 480 Cb 0.24 0.41 -0.01 0.00 1.55 0.00 0.00 36.73 38.92 1bg1 h TYR 480 CO -0.14 -0.71 -0.30 -0.91 -1.32 0.00 0.00 178.16 174.78 1bg1 h ASN 481 N -1.20 0.00 -0.08 -2.11 2.35 -1.19 -1.02 115.58 112.33 1bg1 h ASN 481 Ca -0.11 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.45 1bg1 h ASN 481 Cb 0.94 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.31 1bg1 h ASN 481 CO 0.16 0.30 -0.63 -0.03 -1.65 0.00 0.00 177.43 175.58 1bg1 h MET 482 N 0.00 0.70 -0.01 0.81 4.05 -0.08 -3.36 114.93 117.03 1bg1 h MET 482 Ca -0.00 -0.49 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 1bg1 h MET 482 Cb 0.67 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.54 1bg1 h MET 482 CO 0.04 1.11 -0.48 1.28 0.23 0.00 0.00 176.91 179.09 1bg1 n LEU 483 N -3.95 1.86 -3.81 3.39 4.77 -0.72 -5.00 117.00 113.53 1bg1 n LEU 483 Ca -0.05 -0.74 -0.09 0.00 -0.03 0.00 0.00 56.01 55.10 1bg1 n LEU 483 Cb 0.66 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.68 1bg1 n LEU 483 CO 0.50 0.35 -0.04 0.28 -1.33 0.00 0.00 177.39 177.15 1bg1 s THR 484 N -2.37 0.13 -0.29 -5.08 -1.32 -0.42 -5.01 115.64 101.28 1bg1 s THR 484 Ca 0.16 -1.06 0.03 0.00 -1.21 0.00 0.00 61.69 59.61 1bg1 s THR 484 Cb 0.17 -1.32 0.05 0.00 -1.51 0.00 0.00 72.50 69.89 1bg1 s THR 484 CO 0.55 -0.57 0.86 -0.46 -2.21 0.00 0.00 174.62 172.79 1bg1 n ASN 485 N -0.10 1.81 -4.68 8.08 2.04 -1.26 -4.65 115.26 116.50 1bg1 n ASN 485 Ca -0.15 -1.62 -0.42 0.00 -0.44 0.00 0.00 54.58 51.94 1bg1 n ASN 485 Cb 0.63 -0.03 -0.03 0.00 -2.53 0.00 0.00 39.78 37.82 1bg1 n ASN 485 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1bg1 s ASN 486 N -0.67 7.03 0.00 0.53 3.84 -1.26 -4.92 114.94 119.49 1bg1 s ASN 486 Ca 0.05 1.81 0.22 0.00 0.21 0.00 0.00 52.86 55.15 1bg1 s ASN 486 Cb 0.03 -2.56 1.13 0.00 -0.55 0.00 0.00 41.25 39.30 1bg1 s ASN 486 CO 0.04 -0.61 1.75 -0.81 -2.79 0.00 0.00 177.10 174.68 1bg1 n PRO 487 N 5.34 1.21 -2.28 0.43 -0.04 -1.26 -4.34 135.00 134.07 1bg1 n PRO 487 Ca 0.11 -0.31 -0.01 0.00 -0.04 0.00 0.00 63.50 63.25 1bg1 n PRO 487 Cb 0.46 -1.36 0.05 0.00 -0.04 0.00 0.00 33.50 32.62 1bg1 n PRO 487 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1bg1 n LYS 488 N -0.50 1.06 -3.06 0.54 2.85 -1.26 -4.15 118.16 113.64 1bg1 n LYS 488 Ca 0.16 -2.08 -0.45 0.00 -1.05 0.00 0.00 58.31 54.89 1bg1 n LYS 488 Cb 0.15 -0.32 -0.01 0.00 -0.65 0.00 0.00 35.03 34.19 1bg1 n LYS 488 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1bg1 s ASN 489 N -2.16 6.88 0.31 -5.58 2.47 -1.26 -4.81 114.94 110.79 1bg1 s ASN 489 Ca 0.18 -2.65 0.26 0.00 0.42 0.00 0.00 52.86 51.06 1bg1 s ASN 489 Cb 0.33 -2.34 1.00 0.00 -1.45 0.00 0.00 41.25 38.79 1bg1 s ASN 489 CO -0.09 -0.77 1.77 -0.37 -3.72 0.00 0.00 177.10 173.92 1bg1 h VAL 490 N 5.00 0.00 -0.53 -5.21 -1.51 -1.95 -2.82 116.25 109.23 1bg1 h VAL 490 Ca 0.20 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 1bg1 h VAL 490 Cb 0.96 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 1bg1 h VAL 490 CO 1.07 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 178.00 1bg1 n ASN 491 N -2.44 3.07 -0.29 4.19 3.02 -1.26 -4.08 115.26 117.47 1bg1 n ASN 491 Ca 0.02 -2.07 0.07 0.00 -0.03 0.00 0.00 54.58 52.57 1bg1 n ASN 491 Cb 0.29 -0.39 0.18 0.00 -0.61 0.00 0.00 39.78 39.25 1bg1 n ASN 491 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1bg1 h PHE 492 N 3.15 -0.14 0.00 3.10 3.04 -1.87 0.30 116.94 124.52 1bg1 h PHE 492 Ca 0.00 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1bg1 h PHE 492 Cb 0.82 0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.52 1bg1 h PHE 492 CO 0.41 -0.31 0.00 1.19 -2.02 0.00 0.00 178.31 177.58 1bg1 n PHE 493 N -5.43 0.00 -0.09 0.41 3.72 -1.26 -2.81 117.46 112.01 1bg1 n PHE 493 Ca 0.16 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.44 1bg1 n PHE 493 Cb 0.53 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.03 1bg1 n PHE 493 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1bg1 h THR 494 N 0.00 1.28 -2.20 4.37 2.02 -1.28 -3.37 112.91 113.72 1bg1 h THR 494 Ca 0.00 -1.04 -0.54 0.00 0.77 0.00 0.00 66.41 65.61 1bg1 h THR 494 Cb 0.00 1.40 -0.35 0.00 -1.74 0.00 0.00 68.15 67.46 1bg1 h THR 494 CO 0.00 0.33 -0.92 -0.75 0.37 0.00 0.00 175.52 174.55 1bg1 s LYS 495 N -4.83 0.92 0.63 6.66 2.20 -1.13 -5.13 119.74 119.06 1bg1 s LYS 495 Ca -0.13 -1.98 -0.19 0.00 -0.36 0.00 0.00 55.97 53.31 1bg1 s LYS 495 Cb 0.08 -1.25 -0.02 0.00 -1.51 0.00 0.00 37.83 35.13 1bg1 s LYS 495 CO 0.76 -1.38 1.30 -2.30 -0.36 0.00 0.00 175.35 173.37 1bg1 n PRO 496 N 2.86 1.21 -1.78 4.03 -0.02 -1.12 -4.99 135.00 135.19 1bg1 n PRO 496 Ca 0.29 0.47 -0.29 0.00 -2.02 0.00 0.00 63.50 61.94 1bg1 n PRO 496 Cb 0.49 -2.54 0.10 0.00 -0.02 0.00 0.00 33.50 31.53 1bg1 n PRO 496 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1bg1 s PRO 497 N -3.27 1.78 -0.05 0.52 0.02 -1.26 -4.92 135.00 127.82 1bg1 s PRO 497 Ca 0.81 0.21 -0.01 0.00 0.02 0.00 0.00 61.00 62.03 1bg1 s PRO 497 Cb -0.39 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 1bg1 s PRO 497 CO 0.42 -1.74 0.03 0.42 -0.33 0.00 0.00 177.00 175.80 1bg1 s ILE 498 N -3.46 4.47 0.47 2.83 1.09 -1.26 -4.34 121.20 121.01 1bg1 s ILE 498 Ca 0.62 -0.32 0.07 0.00 -1.10 0.00 0.00 60.65 59.92 1bg1 s ILE 498 Cb -0.12 -2.95 0.01 0.00 -1.06 0.00 0.00 42.46 38.34 1bg1 s ILE 498 CO 0.51 0.50 0.43 -0.83 -0.10 0.00 0.00 174.94 175.45 1bg1 s GLY 499 N -1.24 2.16 0.22 6.18 0.00 0.03 -4.91 107.32 109.76 1bg1 s GLY 499 Ca 0.17 -1.73 0.06 0.00 0.00 0.00 0.00 44.72 43.22 1bg1 s GLY 499 CO 0.07 -1.77 0.20 -0.51 0.00 0.00 0.00 173.10 171.09 1bg1 s THR 500 N -2.59 4.62 0.51 0.90 -4.23 -1.26 -0.18 115.64 113.41 1bg1 s THR 500 Ca 0.45 -1.20 0.17 0.00 -1.18 0.00 0.00 61.69 59.93 1bg1 s THR 500 Cb -0.03 -3.45 0.26 0.00 1.34 0.00 0.00 72.50 70.62 1bg1 s THR 500 CO 0.27 -0.26 2.13 -0.25 -0.54 0.00 0.00 174.62 175.97 1bg1 h TRP 501 N 1.78 0.00 0.00 3.99 2.91 -0.71 -1.99 115.95 121.93 1bg1 h TRP 501 Ca -0.49 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.53 1bg1 h TRP 501 Cb 1.22 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.87 1bg1 h TRP 501 CO 0.55 0.03 0.00 -0.25 -1.03 0.00 0.00 178.44 177.74 1bg1 n ASP 502 N -4.45 0.00 -0.32 2.65 8.00 -1.25 0.12 116.55 121.31 1bg1 n ASP 502 Ca -0.03 0.92 0.10 0.00 0.71 0.00 0.00 54.79 56.49 1bg1 n ASP 502 Cb 0.12 -0.42 0.31 0.00 -0.02 0.00 0.00 41.12 41.11 1bg1 n ASP 502 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 1bg1 h GLN 503 N 0.00 0.80 -0.39 -1.24 3.07 -1.89 -0.40 115.11 115.06 1bg1 h GLN 503 Ca 0.00 -0.05 -0.06 0.00 0.09 0.00 0.00 58.65 58.63 1bg1 h GLN 503 Cb 0.00 -0.18 -0.02 0.00 0.08 0.00 0.00 27.48 27.36 1bg1 h GLN 503 CO 0.00 0.53 -0.00 0.28 0.09 0.00 0.00 178.83 179.73 1bg1 h VAL 504 N 0.83 1.22 -0.18 1.86 2.07 -1.16 -2.09 116.25 118.80 1bg1 h VAL 504 Ca 0.49 -0.87 -0.17 0.00 0.82 0.00 0.00 66.70 66.97 1bg1 h VAL 504 Cb 0.66 0.92 0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1bg1 h VAL 504 CO -0.26 0.30 -0.56 0.00 0.02 0.00 0.00 177.57 177.07 1bg1 h ALA 505 N 1.42 0.31 0.44 1.67 0.00 0.14 -2.10 119.26 121.13 1bg1 h ALA 505 Ca 0.12 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1bg1 h ALA 505 Cb 0.37 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1bg1 h ALA 505 CO 0.01 0.54 -0.32 1.49 0.00 0.00 0.00 179.25 180.97 1bg1 h GLU 506 N 0.40 -0.72 -0.97 0.00 4.81 -1.13 -1.31 114.58 115.67 1bg1 h GLU 506 Ca -0.02 0.05 0.19 0.00 -0.13 0.00 0.00 59.36 59.45 1bg1 h GLU 506 Cb 1.18 0.16 -0.09 0.00 0.63 0.00 0.00 28.75 30.64 1bg1 h GLU 506 CO 0.12 -0.48 0.61 0.28 -0.73 0.00 0.00 179.01 178.81 1bg1 h VAL 507 N -0.74 0.71 -0.27 0.32 2.07 -1.42 0.65 116.25 117.57 1bg1 h VAL 507 Ca -0.04 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 1bg1 h VAL 507 Cb 0.63 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1bg1 h VAL 507 CO 0.02 0.12 -0.30 -0.07 0.02 0.00 0.00 177.57 177.35 1bg1 h LEU 508 N 0.63 0.58 -0.28 2.57 3.38 -0.64 -2.68 115.31 118.87 1bg1 h LEU 508 Ca 0.53 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 58.22 1bg1 h LEU 508 Cb 0.99 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1bg1 h LEU 508 CO -0.28 0.85 -0.06 -1.28 0.09 0.00 0.00 178.44 177.76 1bg1 h SER 509 N 0.48 0.53 -0.89 -0.43 0.87 0.19 -2.85 113.55 111.46 1bg1 h SER 509 Ca 0.06 -0.36 0.19 0.00 -1.23 0.00 0.00 61.79 60.45 1bg1 h SER 509 Cb 0.77 -0.14 -0.11 0.00 -0.44 0.00 0.00 62.40 62.47 1bg1 h SER 509 CO 0.06 0.77 0.45 -0.50 -0.53 0.00 0.00 176.83 177.07 1bg1 h TRP 510 N 0.29 0.76 -0.07 2.24 6.55 -1.07 0.46 115.95 125.11 1bg1 h TRP 510 Ca 0.07 0.04 0.02 0.00 0.95 0.00 0.00 58.89 59.97 1bg1 h TRP 510 Cb 0.53 -0.20 -0.00 0.00 -0.86 0.00 0.00 29.16 28.63 1bg1 h TRP 510 CO 0.05 0.09 0.11 1.96 -1.05 0.00 0.00 178.44 179.60 1bg1 h GLN 511 N 0.55 0.00 0.05 0.49 1.08 -1.23 -0.02 115.11 116.02 1bg1 h GLN 511 Ca 0.52 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 57.40 1bg1 h GLN 511 Cb 0.87 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.27 1bg1 h GLN 511 CO -0.44 0.00 -1.76 1.19 -0.95 0.00 0.00 178.83 176.88 1bg1 n PHE 512 N -3.60 0.97 0.30 2.96 3.72 0.15 -3.73 117.46 118.23 1bg1 n PHE 512 Ca -0.01 0.30 0.15 0.00 -0.05 0.00 0.00 57.45 57.84 1bg1 n PHE 512 Cb 0.20 -1.11 0.67 0.00 -0.94 0.00 0.00 39.48 38.30 1bg1 n PHE 512 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1bg1 h SER 513 N -0.49 0.00 0.00 4.37 4.64 -0.69 0.21 113.55 121.59 1bg1 h SER 513 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1bg1 h SER 513 Cb 1.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 1bg1 h SER 513 CO -0.10 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.66 1bg1 n SER 514 N -2.55 0.00 0.27 4.97 7.64 -0.08 -4.04 113.62 119.84 1bg1 n SER 514 Ca 0.00 0.48 0.16 0.00 1.01 0.00 0.00 58.87 60.52 1bg1 n SER 514 Cb 0.17 -0.30 0.90 0.00 -1.01 0.00 0.00 64.21 63.97 1bg1 n SER 514 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1bg1 h THR 515 N 0.00 0.48 -3.15 0.44 2.02 -1.63 -3.44 112.91 107.64 1bg1 h THR 515 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1bg1 h THR 515 Cb 0.00 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1bg1 h THR 515 CO 0.00 0.00 -0.00 0.35 0.37 0.00 0.00 175.52 176.24 1bg1 n THR 516 N -3.80 0.00 0.10 3.16 -2.24 0.74 -5.00 114.28 107.25 1bg1 n THR 516 Ca -0.02 -0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.74 1bg1 n THR 516 Cb 0.16 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.34 1bg1 n THR 516 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1bg1 h LYS 517 N 0.00 0.00 -3.28 -0.78 6.56 -1.80 -3.39 116.57 113.88 1bg1 h LYS 517 Ca -0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.46 1bg1 h LYS 517 Cb 0.00 0.00 -0.21 0.00 -0.57 0.00 0.00 32.23 31.46 1bg1 h LYS 517 CO 0.00 0.74 -0.39 0.50 -2.06 0.00 0.00 179.45 178.24 1bg1 s ARG 518 N -2.84 0.56 0.00 3.15 3.52 -1.26 -4.91 118.95 117.17 1bg1 s ARG 518 Ca 0.02 -0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.35 1bg1 s ARG 518 Cb 0.09 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 33.72 1bg1 s ARG 518 CO 0.78 -0.14 0.00 0.41 -0.81 0.00 0.00 175.30 175.54 1bg1 n GLY 519 N 1.44 -0.21 3.05 8.12 0.00 -1.26 -4.09 105.19 112.25 1bg1 n GLY 519 Ca -0.22 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 1bg1 n GLY 519 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bg1 s LEU 520 N 0.00 1.75 0.54 0.99 1.43 -1.26 -4.81 118.68 117.32 1bg1 s LEU 520 Ca 0.00 -0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 52.65 1bg1 s LEU 520 Cb 0.00 -0.84 -0.07 0.00 0.03 0.00 0.00 46.19 45.32 1bg1 s LEU 520 CO 0.00 0.07 0.99 -0.94 0.23 0.00 0.00 176.35 176.71 1bg1 s SER 521 N 0.42 6.50 0.23 2.29 1.04 -1.26 -4.79 113.70 118.13 1bg1 s SER 521 Ca -0.10 1.51 0.20 0.00 0.48 0.00 0.00 55.95 58.04 1bg1 s SER 521 Cb -0.14 -2.49 0.94 0.00 0.10 0.00 0.00 66.02 64.43 1bg1 s SER 521 CO 0.03 -0.67 1.62 -0.38 0.98 0.00 0.00 173.24 174.82 1bg1 n ILE 522 N -1.94 1.00 0.28 -1.02 5.41 -1.26 0.11 119.36 121.94 1bg1 n ILE 522 Ca 0.06 0.42 -0.12 0.00 1.00 0.00 0.00 62.75 64.11 1bg1 n ILE 522 Cb 0.54 -1.36 -0.06 0.00 -0.71 0.00 0.00 39.64 38.05 1bg1 n ILE 522 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1bg1 h GLU 523 N 0.00 -0.73 0.00 0.38 4.57 -1.93 0.59 114.58 117.46 1bg1 h GLU 523 Ca 0.00 0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.17 1bg1 h GLU 523 Cb 0.21 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1bg1 h GLU 523 CO 0.00 -0.46 -0.30 -0.56 -1.18 0.00 0.00 179.01 176.51 1bg1 h GLN 524 N -1.17 0.00 0.05 1.92 3.07 -1.47 -1.89 115.11 115.61 1bg1 h GLN 524 Ca -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.66 1bg1 h GLN 524 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.16 1bg1 h GLN 524 CO 0.13 0.30 -0.02 1.25 0.09 0.00 0.00 178.83 180.57 1bg1 h LEU 525 N 0.00 -0.05 -0.78 0.06 5.85 0.81 -3.17 115.31 118.03 1bg1 h LEU 525 Ca -0.00 -0.61 -0.05 0.00 0.84 0.00 0.00 57.88 58.05 1bg1 h LEU 525 Cb 0.57 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1bg1 h LEU 525 CO 0.04 0.67 0.28 0.74 -0.34 0.00 0.00 178.44 179.83 1bg1 h THR 526 N -0.87 1.26 0.00 1.05 2.02 0.22 -0.96 112.91 115.64 1bg1 h THR 526 Ca -0.01 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1bg1 h THR 526 Cb 0.66 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1bg1 h THR 526 CO 0.01 0.35 0.00 0.35 0.37 0.00 0.00 175.52 176.60 1bg1 n THR 527 N -4.27 1.26 0.01 3.16 -2.24 -0.72 -1.13 114.28 110.36 1bg1 n THR 527 Ca 0.07 0.32 -0.21 0.00 -2.27 0.00 0.00 64.05 61.95 1bg1 n THR 527 Cb 0.20 -1.20 -0.14 0.00 -2.10 0.00 0.00 70.33 67.09 1bg1 n THR 527 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1bg1 n LEU 528 N -1.41 2.61 0.31 3.22 7.94 -0.40 -3.23 117.00 126.05 1bg1 n LEU 528 Ca 0.02 0.22 0.20 0.00 -1.11 0.00 0.00 56.01 55.34 1bg1 n LEU 528 Cb 0.07 -1.10 0.99 0.00 0.53 0.00 0.00 43.42 43.91 1bg1 n LEU 528 CO 0.06 0.85 1.10 0.00 -1.11 0.00 0.00 177.39 178.29 1bg1 h ALA 529 N 0.09 1.00 0.16 1.96 0.00 -0.72 -1.74 119.26 120.02 1bg1 h ALA 529 Ca -0.42 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.18 1bg1 h ALA 529 Cb 2.04 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.86 1bg1 h ALA 529 CO 0.09 0.00 -1.31 1.49 0.00 0.00 0.00 179.25 179.53 1bg1 h GLU 530 N 0.00 0.61 0.00 0.00 4.81 -1.55 0.62 114.58 119.07 1bg1 h GLU 530 Ca -0.00 -0.86 0.00 0.00 -0.13 0.00 0.00 59.36 58.37 1bg1 h GLU 530 Cb 0.22 0.30 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1bg1 h GLU 530 CO 0.00 1.40 0.00 1.17 -0.73 0.00 0.00 179.01 180.85 1bg1 n LYS 531 N -3.78 0.10 -0.01 1.92 4.81 -0.66 -0.07 118.16 120.47 1bg1 n LYS 531 Ca -0.15 0.23 -0.01 0.00 -0.87 0.00 0.00 58.31 57.51 1bg1 n LYS 531 Cb 1.02 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.56 1bg1 n LYS 531 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1bg1 n LEU 532 N -1.31 2.34 -0.32 3.14 4.77 -1.17 -4.81 117.00 119.64 1bg1 n LEU 532 Ca 0.04 -0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.12 1bg1 n LEU 532 Cb 0.07 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1bg1 n LEU 532 CO 0.06 0.41 0.18 0.18 -1.33 0.00 0.00 177.39 176.90 1bg1 n LEU 533 N -2.66 1.65 0.00 2.23 4.77 0.20 -5.09 117.00 118.10 1bg1 n LEU 533 Ca -0.02 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 1bg1 n LEU 533 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1bg1 n LEU 533 CO 0.01 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1bg1 n GLY 534 N 1.42 -1.19 3.74 -0.72 0.00 0.90 -4.90 105.19 104.44 1bg1 n GLY 534 Ca 0.07 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 1bg1 n GLY 534 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1bg1 s PRO 535 N 0.00 2.51 0.00 1.61 0.04 -1.26 -4.45 135.00 133.45 1bg1 s PRO 535 Ca 0.00 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1bg1 s PRO 535 Cb 0.00 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1bg1 s PRO 535 CO 0.00 -1.56 0.00 0.41 0.04 0.00 0.00 177.00 175.89 1bg1 n GLY 536 N 0.45 0.05 2.93 0.56 0.00 -1.26 -5.11 105.19 102.81 1bg1 n GLY 536 Ca 0.14 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.54 1bg1 n GLY 536 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bg1 s VAL 537 N -1.84 0.65 0.25 1.61 1.01 -1.26 -5.05 120.40 115.78 1bg1 s VAL 537 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1bg1 s VAL 537 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.73 1bg1 s VAL 537 CO 0.00 0.24 0.00 -3.20 0.00 0.00 0.00 175.10 172.14 1bg1 n ASN 538 N 3.90 -5.66 -0.43 3.32 5.15 -1.26 -4.99 115.26 115.29 1bg1 n ASN 538 Ca -0.24 0.72 0.03 0.00 -0.60 0.00 0.00 54.58 54.48 1bg1 n ASN 538 Cb 0.51 -2.28 0.04 0.00 -0.53 0.00 0.00 39.78 37.52 1bg1 n ASN 538 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1bg1 n TYR 539 N -0.47 0.00 0.00 1.20 4.01 -1.26 -4.97 117.16 115.68 1bg1 n TYR 539 Ca 0.00 -0.30 0.00 0.00 -0.16 0.00 0.00 57.90 57.44 1bg1 n TYR 539 Cb 0.00 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 38.95 1bg1 n TYR 539 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1bg1 n SER 540 N -0.37 0.00 0.00 7.72 7.64 -1.26 -2.84 113.62 124.51 1bg1 n SER 540 Ca 0.05 0.73 0.08 0.00 1.01 0.00 0.00 58.87 60.74 1bg1 n SER 540 Cb 0.70 -0.23 0.48 0.00 -1.01 0.00 0.00 64.21 64.15 1bg1 n SER 540 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bg1 n GLY 541 N -0.87 -0.60 3.64 0.23 0.00 -1.26 -3.43 105.19 102.89 1bg1 n GLY 541 Ca 0.00 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1bg1 n GLY 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bg1 s GLN 543 N 5.09 4.59 -0.22 0.00 -0.21 -1.26 -0.35 119.66 127.30 1bg1 s GLN 543 Ca 0.89 1.74 0.02 0.00 0.02 0.00 0.00 55.36 58.03 1bg1 s GLN 543 Cb -0.36 -3.27 0.04 0.00 1.00 0.00 0.00 33.01 30.41 1bg1 s GLN 543 CO 0.37 0.07 -0.15 0.42 -2.12 0.00 0.00 175.29 173.88 1bg1 s ILE 544 N -0.27 2.19 0.65 1.08 -1.09 0.74 -4.89 121.20 119.61 1bg1 s ILE 544 Ca 0.49 -1.22 -0.06 0.00 -2.23 0.00 0.00 60.65 57.63 1bg1 s ILE 544 Cb -0.30 -2.09 0.04 0.00 -1.58 0.00 0.00 42.46 38.53 1bg1 s ILE 544 CO 0.35 0.28 0.96 0.42 -1.23 0.00 0.00 174.94 175.72 1bg1 s THR 545 N 1.22 2.76 0.19 2.92 -4.23 -1.26 -0.79 115.64 116.44 1bg1 s THR 545 Ca -0.01 -0.22 -0.12 0.00 -1.18 0.00 0.00 61.69 60.16 1bg1 s THR 545 Cb -0.16 -3.15 0.11 0.00 1.34 0.00 0.00 72.50 70.64 1bg1 s THR 545 CO -0.09 -0.15 1.84 -0.25 -0.54 0.00 0.00 174.62 175.42 1bg1 h TRP 546 N -0.40 0.83 -0.93 3.99 -0.00 -1.92 -0.41 115.95 117.12 1bg1 h TRP 546 Ca -0.45 0.00 0.02 0.00 -0.00 0.00 0.00 58.89 58.47 1bg1 h TRP 546 Cb 1.29 -0.28 -0.05 0.00 -0.00 0.00 0.00 29.16 30.13 1bg1 h TRP 546 CO 0.38 0.56 0.61 0.00 -0.00 0.00 0.00 178.44 179.99 1bg1 h ALA 547 N 1.21 1.21 -0.15 2.65 0.00 -1.93 0.16 119.26 122.41 1bg1 h ALA 547 Ca 0.23 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1bg1 h ALA 547 Cb -0.05 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 1bg1 h ALA 547 CO -0.05 0.53 -0.21 -0.22 0.00 0.00 0.00 179.25 179.30 1bg1 h LYS 548 N 1.22 0.40 -0.56 0.00 1.63 -1.75 0.24 116.57 117.76 1bg1 h LYS 548 Ca 0.36 -0.24 -0.10 0.00 -0.85 0.00 0.00 60.65 59.82 1bg1 h LYS 548 Cb -0.08 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 1bg1 h LYS 548 CO -0.10 0.82 -0.04 0.35 -3.45 0.00 0.00 179.45 177.03 1bg1 h PHE 549 N 0.02 1.10 0.00 1.91 3.57 -0.71 -3.40 116.94 119.41 1bg1 h PHE 549 Ca 0.01 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.32 1bg1 h PHE 549 Cb 0.78 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1bg1 h PHE 549 CO 0.09 0.99 0.00 0.00 -2.23 0.00 0.00 178.31 177.17 1bg1 h LYS 551 N 0.00 1.13 -6.63 0.00 3.64 -1.18 -3.43 116.57 110.11 1bg1 h LYS 551 Ca 0.00 -0.07 -0.65 0.00 -1.27 0.00 0.00 60.65 58.66 1bg1 h LYS 551 Cb 0.00 -0.25 -0.19 0.00 -0.41 0.00 0.00 32.23 31.37 1bg1 h LYS 551 CO 0.00 0.75 -0.83 -1.21 -2.27 0.00 0.00 179.45 175.89 1bg1 s GLU 552 N -5.99 1.46 0.80 1.90 2.02 0.07 -4.98 118.70 113.97 1bg1 s GLU 552 Ca -0.12 -1.46 -0.14 0.00 0.02 0.00 0.00 54.97 53.27 1bg1 s GLU 552 Cb 0.19 -1.81 0.07 0.00 0.10 0.00 0.00 34.13 32.69 1bg1 s GLU 552 CO 0.81 0.40 1.21 0.09 0.02 0.00 0.00 175.26 177.79 1bg1 n ASN 553 N 0.45 1.12 -4.83 -0.19 5.03 -1.26 -4.53 115.26 111.04 1bg1 n ASN 553 Ca -0.14 0.61 -0.31 0.00 0.87 0.00 0.00 54.58 55.60 1bg1 n ASN 553 Cb 0.55 -1.51 0.02 0.00 -1.02 0.00 0.00 39.78 37.82 1bg1 n ASN 553 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1bg1 s MET 554 N -4.04 3.27 0.00 3.52 -1.94 -0.27 -4.89 119.30 114.94 1bg1 s MET 554 Ca 0.74 0.96 0.00 0.00 -1.71 0.00 0.00 55.69 55.69 1bg1 s MET 554 Cb -0.30 -2.03 0.00 0.00 2.01 0.00 0.00 34.83 34.51 1bg1 s MET 554 CO 0.50 -0.84 0.00 0.00 -0.01 0.00 0.00 175.02 174.67 1bg1 n ALA 555 N -2.65 0.00 0.13 3.03 0.00 -1.26 -0.93 120.51 118.83 1bg1 n ALA 555 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.59 1bg1 n ALA 555 Cb 0.54 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.14 1bg1 n ALA 555 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bg1 n GLY 556 N -0.02 1.60 3.88 0.00 0.00 -1.26 -5.00 105.19 104.40 1bg1 n GLY 556 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 1bg1 n GLY 556 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bg1 s LYS 557 N -1.13 3.73 -0.59 1.61 3.01 -0.11 -4.99 119.74 121.26 1bg1 s LYS 557 Ca 0.27 0.41 0.00 0.00 -1.01 0.00 0.00 55.97 55.64 1bg1 s LYS 557 Cb 0.15 -2.39 0.53 0.00 -1.01 0.00 0.00 37.83 35.11 1bg1 s LYS 557 CO 0.21 -0.07 1.99 0.41 0.51 0.00 0.00 175.35 178.41 1bg1 n GLY 558 N -1.49 5.40 3.47 -3.33 0.00 -1.26 -4.16 105.19 103.82 1bg1 n GLY 558 Ca 0.02 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 1bg1 n GLY 558 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bg1 s PHE 559 N -3.64 -0.47 0.49 1.61 -0.71 -1.26 -5.04 117.98 108.96 1bg1 s PHE 559 Ca 0.62 0.26 -0.05 0.00 -1.04 0.00 0.00 56.93 56.72 1bg1 s PHE 559 Cb 0.50 0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 42.85 1bg1 s PHE 559 CO 0.03 -0.80 0.78 -1.54 -1.34 0.00 0.00 175.22 172.36 1bg1 s SER 560 N -2.70 6.13 0.05 1.98 1.04 -1.26 -1.12 113.70 117.83 1bg1 s SER 560 Ca 0.03 0.83 -0.19 0.00 0.48 0.00 0.00 55.95 57.09 1bg1 s SER 560 Cb -0.01 -2.11 -0.09 0.00 0.10 0.00 0.00 66.02 63.91 1bg1 s SER 560 CO -0.11 -0.64 1.31 0.15 0.98 0.00 0.00 173.24 174.93 1bg1 h PHE 561 N 0.20 -0.82 -0.86 5.02 3.57 -1.78 -2.20 116.94 120.07 1bg1 h PHE 561 Ca -0.47 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.21 1bg1 h PHE 561 Cb 1.22 0.34 -0.10 0.00 2.79 0.00 0.00 35.95 40.19 1bg1 h PHE 561 CO 0.55 -0.35 0.42 2.35 -2.23 0.00 0.00 178.31 179.06 1bg1 h TRP 562 N -0.48 0.73 -0.63 0.41 2.91 -1.57 -2.06 115.95 115.26 1bg1 h TRP 562 Ca -0.02 0.04 -0.06 0.00 1.13 0.00 0.00 58.89 59.98 1bg1 h TRP 562 Cb 0.45 -0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 28.88 1bg1 h TRP 562 CO -0.29 0.12 0.15 0.28 -1.03 0.00 0.00 178.44 177.67 1bg1 h VAL 563 N 0.56 1.26 -0.10 2.65 2.07 -1.80 0.23 116.25 121.11 1bg1 h VAL 563 Ca 0.49 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1bg1 h VAL 563 Cb 0.77 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1bg1 h VAL 563 CO -0.41 0.35 0.06 -0.25 0.02 0.00 0.00 177.57 177.34 1bg1 h TRP 564 N 0.94 0.10 -0.74 1.57 7.01 -0.81 -1.36 115.95 122.65 1bg1 h TRP 564 Ca 0.20 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.14 1bg1 h TRP 564 Cb 0.37 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.36 1bg1 h TRP 564 CO 0.03 0.06 0.23 1.25 -2.79 0.00 0.00 178.44 177.22 1bg1 h LEU 565 N 0.12 1.08 -0.62 0.65 5.85 -1.11 -2.39 115.31 118.89 1bg1 h LEU 565 Ca 0.04 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.45 1bg1 h LEU 565 Cb -0.00 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 1bg1 h LEU 565 CO -0.02 1.01 -0.00 -0.78 -0.34 0.00 0.00 178.44 178.30 1bg1 h ASP 566 N 1.11 1.06 0.24 1.25 1.82 -0.46 -2.47 116.42 118.97 1bg1 h ASP 566 Ca 0.24 -0.30 -0.03 0.00 -0.39 0.00 0.00 57.03 56.54 1bg1 h ASP 566 Cb 0.31 -0.29 -0.00 0.00 0.68 0.00 0.00 39.33 40.03 1bg1 h ASP 566 CO -0.01 1.11 -0.15 0.78 -1.61 0.00 0.00 179.24 179.36 1bg1 h ASN 567 N 0.99 0.00 0.07 2.28 2.35 -0.89 -1.28 115.58 119.09 1bg1 h ASN 567 Ca 0.17 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1bg1 h ASN 567 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1bg1 h ASN 567 CO 0.03 0.15 -0.03 0.40 -1.65 0.00 0.00 177.43 176.33 1bg1 h ILE 568 N 0.00 1.22 -0.72 2.81 2.04 -1.04 -2.39 117.51 119.43 1bg1 h ILE 568 Ca -0.00 -1.16 0.08 0.00 1.00 0.00 0.00 64.86 64.78 1bg1 h ILE 568 Cb 0.31 1.96 -0.07 0.00 -0.74 0.00 0.00 36.82 38.29 1bg1 h ILE 568 CO 0.02 0.28 0.38 0.40 0.00 0.00 0.00 178.15 179.23 1bg1 h ILE 569 N -0.63 0.89 -0.02 -0.67 2.04 -1.11 0.39 117.51 118.40 1bg1 h ILE 569 Ca -0.01 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1bg1 h ILE 569 Cb 0.53 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1bg1 h ILE 569 CO 0.02 0.12 -0.12 -0.78 0.00 0.00 0.00 178.15 177.39 1bg1 h ASP 570 N 0.66 0.03 -0.01 1.72 3.58 -1.24 -1.07 116.42 120.09 1bg1 h ASP 570 Ca 0.35 -0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.71 1bg1 h ASP 570 Cb 0.32 -0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.37 1bg1 h ASP 570 CO -0.24 0.16 -0.32 0.25 -2.88 0.00 0.00 179.24 176.20 1bg1 h LEU 571 N 0.03 0.30 -1.56 2.28 7.12 -0.09 -1.89 115.31 121.50 1bg1 h LEU 571 Ca 0.01 -0.76 0.00 0.00 0.13 0.00 0.00 57.88 57.26 1bg1 h LEU 571 Cb 0.24 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.28 1bg1 h LEU 571 CO 0.02 1.01 0.00 0.58 -0.13 0.00 0.00 178.44 179.92 1bg1 h VAL 572 N -0.39 0.00 0.00 1.05 2.07 0.02 -1.99 116.25 117.01 1bg1 h VAL 572 Ca -0.04 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1bg1 h VAL 572 Cb 1.06 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1bg1 h VAL 572 CO 0.06 0.00 -0.21 1.17 0.02 0.00 0.00 177.57 178.61 1bg1 n LYS 573 N -2.44 0.15 0.17 1.57 4.81 -0.44 -2.88 118.16 119.10 1bg1 n LYS 573 Ca -0.01 0.25 0.18 0.00 -0.87 0.00 0.00 58.31 57.86 1bg1 n LYS 573 Cb 0.09 -0.97 0.68 0.00 0.02 0.00 0.00 35.03 34.86 1bg1 n LYS 573 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1bg1 h LYS 574 N -0.32 0.00 0.00 1.64 1.57 -1.32 -3.39 116.57 114.75 1bg1 h LYS 574 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1bg1 h LYS 574 Cb 0.21 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.45 1bg1 h LYS 574 CO 0.00 0.00 -0.17 0.66 -0.57 0.00 0.00 179.45 179.37 1bg1 n TYR 575 N -3.27 -1.41 -2.53 -1.35 4.02 -0.75 -4.95 117.16 106.92 1bg1 n TYR 575 Ca 0.05 -2.41 -0.03 0.00 -0.01 0.00 0.00 57.90 55.50 1bg1 n TYR 575 Cb 0.65 0.54 -0.00 0.00 -0.02 0.00 0.00 39.34 40.51 1bg1 n TYR 575 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1bg1 n ILE 576 N -0.59 -0.12 0.00 -0.72 5.41 -1.26 -4.23 119.36 117.86 1bg1 n ILE 576 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1bg1 n ILE 576 Cb 0.59 -0.34 0.00 0.00 -0.71 0.00 0.00 39.64 39.18 1bg1 n ILE 576 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1bg1 n LEU 577 N -2.59 0.00 0.21 1.39 -0.00 -1.14 -1.88 117.00 112.99 1bg1 n LEU 577 Ca -0.03 0.69 0.08 0.00 -0.00 0.00 0.00 56.01 56.75 1bg1 n LEU 577 Cb 0.52 -0.19 0.43 0.00 -0.00 0.00 0.00 43.42 44.18 1bg1 n LEU 577 CO 0.05 -0.19 0.76 0.00 -0.00 0.00 0.00 177.39 178.01 1bg1 h ALA 578 N -1.95 1.07 0.00 1.96 0.00 -1.89 -1.37 119.26 117.07 1bg1 h ALA 578 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1bg1 h ALA 578 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1bg1 h ALA 578 CO 0.00 0.37 0.03 1.28 0.00 0.00 0.00 179.25 180.93 1bg1 n LEU 579 N -3.54 0.46 -0.07 0.00 4.32 -1.22 0.18 117.00 117.13 1bg1 n LEU 579 Ca -0.00 0.70 -0.08 0.00 -0.02 0.00 0.00 56.01 56.61 1bg1 n LEU 579 Cb 0.44 -0.75 -0.11 0.00 -1.62 0.00 0.00 43.42 41.37 1bg1 n LEU 579 CO 0.35 -0.86 -0.98 1.87 -1.22 0.00 0.00 177.39 176.54 1bg1 n TRP 580 N -2.13 0.00 0.00 -1.77 -0.00 -0.57 -4.49 117.44 108.48 1bg1 n TRP 580 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.49 1bg1 n TRP 580 Cb 0.06 -0.72 0.00 0.00 -0.00 0.00 0.00 31.31 30.65 1bg1 n TRP 580 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 1bg1 n ASN 581 N -2.58 0.00 0.00 5.87 5.15 0.47 -4.45 115.26 119.73 1bg1 n ASN 581 Ca -0.24 0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.74 1bg1 n ASN 581 Cb 0.97 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.22 1bg1 n ASN 581 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1bg1 n GLU 582 N -0.04 0.32 -0.28 1.20 1.02 -1.26 -4.49 120.64 117.12 1bg1 n GLU 582 Ca 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 1bg1 n GLU 582 Cb 0.00 0.00 0.23 0.00 -0.02 0.00 0.00 31.44 31.65 1bg1 n GLU 582 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bg1 n GLY 583 N 0.00 2.69 0.17 0.62 0.00 -1.26 -4.81 105.19 102.59 1bg1 n GLY 583 Ca 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 46.02 45.40 1bg1 n GLY 583 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bg1 n TYR 584 N 0.98 -0.17 -2.87 1.61 4.01 -1.26 -4.61 117.16 114.85 1bg1 n TYR 584 Ca 0.18 0.49 -0.41 0.00 -0.16 0.00 0.00 57.90 58.00 1bg1 n TYR 584 Cb 0.53 -0.50 -0.04 0.00 -0.31 0.00 0.00 39.34 39.02 1bg1 n TYR 584 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1bg1 s ILE 585 N -4.08 4.87 0.08 -0.72 1.01 -1.26 -4.77 121.20 116.32 1bg1 s ILE 585 Ca -0.05 1.78 -0.14 0.00 0.00 0.00 0.00 60.65 62.24 1bg1 s ILE 585 Cb 0.04 -4.19 -0.23 0.00 0.01 0.00 0.00 42.46 38.10 1bg1 s ILE 585 CO 0.25 0.24 1.20 0.24 0.00 0.00 0.00 174.94 176.86 1bg1 h MET 586 N 6.49 0.71 0.00 2.79 2.86 -1.38 -3.47 114.93 122.93 1bg1 h MET 586 Ca -0.42 -0.74 0.00 0.00 -2.06 0.00 0.00 59.70 56.48 1bg1 h MET 586 Cb 1.21 0.21 0.00 0.00 0.06 0.00 0.00 31.60 33.07 1bg1 h MET 586 CO 0.74 1.32 0.00 0.41 1.06 0.00 0.00 176.91 180.44 1bg1 n GLY 587 N 1.05 0.46 3.01 8.32 0.00 0.17 -4.47 105.19 113.73 1bg1 n GLY 587 Ca -0.11 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1bg1 n GLY 587 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bg1 s PHE 588 N 0.00 2.51 -0.29 1.61 0.08 -1.26 -1.07 117.98 119.56 1bg1 s PHE 588 Ca 0.00 -1.64 -0.18 0.00 0.12 0.00 0.00 56.93 55.22 1bg1 s PHE 588 Cb 0.00 -1.69 0.13 0.00 -0.57 0.00 0.00 43.02 40.90 1bg1 s PHE 588 CO 0.00 -0.76 0.96 -1.50 -0.10 0.00 0.00 175.22 173.83 1bg1 s ILE 589 N 1.36 0.00 0.45 0.64 2.07 -1.26 -4.01 121.20 120.46 1bg1 s ILE 589 Ca -0.01 0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 58.98 1bg1 s ILE 589 Cb -0.16 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.35 1bg1 s ILE 589 CO -0.08 0.00 1.40 -1.54 -1.91 0.00 0.00 174.94 172.81 1bg1 n SER 590 N 3.39 3.15 -0.24 4.50 3.41 -1.26 -4.81 113.62 121.75 1bg1 n SER 590 Ca -0.17 1.11 0.28 0.00 -0.26 0.00 0.00 58.87 59.82 1bg1 n SER 590 Cb 0.57 -1.58 0.67 0.00 -0.26 0.00 0.00 64.21 63.61 1bg1 n SER 590 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1bg1 h LYS 591 N 2.19 0.12 0.00 4.33 1.57 -2.02 0.80 116.57 123.56 1bg1 h LYS 591 Ca -0.50 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1bg1 h LYS 591 Cb 1.28 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1bg1 h LYS 591 CO 0.60 0.08 0.00 -1.91 -0.57 0.00 0.00 179.45 177.65 1bg1 n GLU 592 N -4.34 0.00 0.00 3.15 0.00 -1.26 -2.80 120.64 115.40 1bg1 n GLU 592 Ca 0.21 0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.42 1bg1 n GLU 592 Cb 0.98 -1.04 0.00 0.00 0.00 0.00 0.00 31.44 31.38 1bg1 n GLU 592 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1bg1 n ARG 593 N -0.63 0.00 -0.17 5.31 3.00 -0.81 0.62 116.66 123.98 1bg1 n ARG 593 Ca 0.00 0.32 0.02 0.00 -0.00 0.00 0.00 57.85 58.19 1bg1 n ARG 593 Cb 0.00 -1.63 0.08 0.00 0.00 0.00 0.00 32.46 30.91 1bg1 n ARG 593 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1bg1 n GLU 594 N -1.31 1.72 -0.10 -0.14 2.13 0.21 -2.77 120.64 120.39 1bg1 n GLU 594 Ca 0.00 -0.62 -0.16 0.00 0.66 0.00 0.00 57.16 57.03 1bg1 n GLU 594 Cb 0.13 -1.57 -0.13 0.00 0.27 0.00 0.00 31.44 30.14 1bg1 n GLU 594 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1bg1 n ARG 595 N 0.10 0.67 0.00 5.31 5.12 0.20 -4.50 116.66 123.56 1bg1 n ARG 595 Ca 0.06 0.14 0.00 0.00 -1.93 0.00 0.00 57.85 56.12 1bg1 n ARG 595 Cb 0.39 -1.56 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 1bg1 n ARG 595 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1bg1 n ALA 596 N -3.08 1.67 -2.35 7.54 0.00 -1.11 -2.95 120.51 120.23 1bg1 n ALA 596 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1bg1 n ALA 596 Cb 1.04 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1bg1 n ALA 596 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1bg1 n ILE 597 N 0.85 0.00 -0.62 0.00 -5.35 -1.26 -4.74 119.36 108.24 1bg1 n ILE 597 Ca 0.00 0.00 0.48 0.00 -0.27 0.00 0.00 62.75 62.96 1bg1 n ILE 597 Cb 0.10 0.00 0.74 0.00 -1.74 0.00 0.00 39.64 38.74 1bg1 n ILE 597 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1bg1 n LEU 598 N 0.00 0.00 -3.61 7.28 4.77 -1.26 0.11 117.00 124.29 1bg1 n LEU 598 Ca 0.00 0.92 -0.41 0.00 -0.03 0.00 0.00 56.01 56.49 1bg1 n LEU 598 Cb 0.00 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 40.65 1bg1 n LEU 598 CO 0.00 -0.92 1.94 -1.20 -1.33 0.00 0.00 177.39 175.88 1bg1 n SER 599 N -3.75 7.40 0.00 -1.43 7.64 -1.15 -3.75 113.62 118.59 1bg1 n SER 599 Ca 0.40 -3.34 0.00 0.00 1.01 0.00 0.00 58.87 56.94 1bg1 n SER 599 Cb 1.88 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1bg1 n SER 599 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1bg1 n THR 600 N 1.25 0.00 -4.31 0.44 5.66 -0.55 -4.47 114.28 112.30 1bg1 n THR 600 Ca 0.52 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 61.23 1bg1 n THR 600 Cb 0.27 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.94 1bg1 n THR 600 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1bg1 s LYS 601 N 0.00 1.77 0.60 1.09 -0.14 0.12 -5.03 119.74 118.15 1bg1 s LYS 601 Ca 0.00 -1.22 -0.18 0.00 -1.36 0.00 0.00 55.97 53.21 1bg1 s LYS 601 Cb 0.00 -2.09 -0.06 0.00 -1.68 0.00 0.00 37.83 34.00 1bg1 s LYS 601 CO 0.00 0.47 0.75 -0.35 -0.76 0.00 0.00 175.35 175.46 1bg1 n PRO 602 N 0.70 0.67 -1.75 -1.68 -0.04 -1.26 -4.14 135.00 127.51 1bg1 n PRO 602 Ca -0.15 0.26 -0.42 0.00 -0.04 0.00 0.00 63.50 63.16 1bg1 n PRO 602 Cb 0.53 -1.95 -0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1bg1 n PRO 602 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1bg1 n PRO 603 N -0.66 2.48 0.00 0.54 -0.04 -1.26 -2.59 135.00 133.47 1bg1 n PRO 603 Ca 0.13 0.87 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 1bg1 n PRO 603 Cb 0.48 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 1bg1 n PRO 603 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bg1 n GLY 604 N 0.66 3.41 3.45 0.55 0.00 -1.26 -4.87 105.19 107.14 1bg1 n GLY 604 Ca 0.03 -1.02 -0.48 0.00 0.00 0.00 0.00 46.02 44.55 1bg1 n GLY 604 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bg1 n THR 605 N 0.00 0.11 -3.08 2.61 -2.24 -1.07 -3.20 114.28 107.41 1bg1 n THR 605 Ca 0.00 -0.28 -0.20 0.00 -2.27 0.00 0.00 64.05 61.30 1bg1 n THR 605 Cb 0.00 -1.57 0.05 0.00 -2.10 0.00 0.00 70.33 66.71 1bg1 n THR 605 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1bg1 s PHE 606 N 8.22 1.66 0.11 4.78 -0.12 -0.90 -4.08 117.98 127.64 1bg1 s PHE 606 Ca 1.12 -0.68 0.03 0.00 -0.05 0.00 0.00 56.93 57.36 1bg1 s PHE 606 Cb -0.86 -2.22 -0.04 0.00 -0.63 0.00 0.00 43.02 39.27 1bg1 s PHE 606 CO 0.47 -0.99 -0.08 -1.17 -0.05 0.00 0.00 175.22 173.39 1bg1 s LEU 607 N -4.59 2.50 -0.17 -1.99 2.96 -1.26 -0.00 118.68 116.13 1bg1 s LEU 607 Ca 0.59 -0.97 -0.00 0.00 -0.22 0.00 0.00 54.13 53.53 1bg1 s LEU 607 Cb -0.06 -0.19 0.04 0.00 0.50 0.00 0.00 46.19 46.48 1bg1 s LEU 607 CO 0.37 -0.39 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.18 1bg1 s LEU 608 N -2.98 1.70 0.21 -0.68 1.43 -1.26 -3.03 118.68 114.07 1bg1 s LEU 608 Ca 0.12 -0.67 -0.18 0.00 -1.03 0.00 0.00 54.13 52.37 1bg1 s LEU 608 Cb 0.03 -0.97 0.03 0.00 0.03 0.00 0.00 46.19 45.30 1bg1 s LEU 608 CO -0.02 -0.17 0.54 0.00 0.23 0.00 0.00 176.35 176.92 1bg1 s ARG 609 N 1.59 1.43 0.24 1.70 1.70 -0.75 0.45 118.95 125.31 1bg1 s ARG 609 Ca 0.01 -0.90 -0.06 0.00 -0.47 0.00 0.00 55.73 54.30 1bg1 s ARG 609 Cb -0.15 0.53 -0.06 0.00 -0.57 0.00 0.00 34.95 34.70 1bg1 s ARG 609 CO -0.08 -0.61 0.52 -0.06 -1.08 0.00 0.00 175.30 173.99 1bg1 s PHE 610 N -3.89 3.46 -0.24 5.89 0.08 -0.23 -0.94 117.98 122.10 1bg1 s PHE 610 Ca 0.10 0.70 -0.29 0.00 0.12 0.00 0.00 56.93 57.56 1bg1 s PHE 610 Cb -0.01 -2.13 -0.02 0.00 -0.57 0.00 0.00 43.02 40.28 1bg1 s PHE 610 CO -0.01 0.26 1.65 0.45 -0.10 0.00 0.00 175.22 177.47 1bg1 s SER 611 N -2.76 6.28 0.49 1.36 0.15 0.22 -4.89 113.70 114.55 1bg1 s SER 611 Ca 0.44 1.55 0.28 0.00 0.70 0.00 0.00 55.95 58.93 1bg1 s SER 611 Cb -0.11 -2.53 0.92 0.00 -1.71 0.00 0.00 66.02 62.59 1bg1 s SER 611 CO 0.26 -1.35 1.82 -0.33 1.20 0.00 0.00 173.24 174.84 1bg1 h GLU 612 N 11.16 0.00 0.00 5.44 5.08 -1.96 -3.24 114.58 131.06 1bg1 h GLU 612 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1bg1 h GLU 612 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1bg1 h GLU 612 CO 1.01 0.05 -1.27 -1.13 -1.00 0.00 0.00 179.01 176.67 1bg1 n SER 613 N -3.14 0.55 -4.71 1.42 3.41 -1.26 -4.94 113.62 104.95 1bg1 n SER 613 Ca 0.02 0.04 -0.41 0.00 -0.26 0.00 0.00 58.87 58.26 1bg1 n SER 613 Cb 0.41 0.97 -0.04 0.00 -0.26 0.00 0.00 64.21 65.30 1bg1 n SER 613 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1bg1 s SER 614 N -4.61 7.18 -0.06 4.04 0.15 -1.22 -4.98 113.70 114.20 1bg1 s SER 614 Ca -0.01 1.43 -0.08 0.00 0.70 0.00 0.00 55.95 57.99 1bg1 s SER 614 Cb 0.12 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.90 1bg1 s SER 614 CO 0.82 -0.21 0.36 0.50 1.20 0.00 0.00 173.24 175.92 1bg1 h LYS 615 N 6.81 -0.28 -0.09 5.44 3.64 -1.92 -3.32 116.57 126.86 1bg1 h LYS 615 Ca -0.40 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.02 1bg1 h LYS 615 Cb 1.20 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1bg1 h LYS 615 CO 0.76 -0.19 0.14 1.49 -2.27 0.00 0.00 179.45 179.38 1bg1 h GLU 616 N -0.97 0.00 0.00 1.90 4.57 -1.93 -3.42 114.58 114.73 1bg1 h GLU 616 Ca -0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1bg1 h GLU 616 Cb 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1bg1 h GLU 616 CO 0.05 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.29 1bg1 n GLY 617 N -1.29 2.28 3.59 1.92 0.00 -1.25 -4.64 105.19 105.79 1bg1 n GLY 617 Ca -0.01 -1.52 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 1bg1 n GLY 617 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bg1 s GLY 618 N 0.00 -0.42 0.19 -0.02 0.00 -1.26 -4.14 107.32 101.67 1bg1 s GLY 618 Ca 0.00 0.24 0.08 0.00 0.00 0.00 0.00 44.72 45.05 1bg1 s GLY 618 CO 0.00 0.08 -0.16 -1.34 0.00 0.00 0.00 173.10 171.68 1bg1 s VAL 619 N -3.75 1.81 0.33 1.40 -7.23 -1.17 -0.61 120.40 111.19 1bg1 s VAL 619 Ca 0.05 -2.10 -0.08 0.00 -1.81 0.00 0.00 61.98 58.04 1bg1 s VAL 619 Cb -0.03 -1.97 0.03 0.00 0.56 0.00 0.00 36.38 34.98 1bg1 s VAL 619 CO -0.05 -0.47 0.59 1.07 -0.31 0.00 0.00 175.10 175.93 1bg1 n THR 620 N -0.11 0.00 -3.37 5.32 5.66 -0.12 -2.17 114.28 119.50 1bg1 n THR 620 Ca -0.10 -1.17 0.00 0.00 -3.05 0.00 0.00 64.05 59.73 1bg1 n THR 620 Cb 0.59 0.91 0.00 0.00 -1.55 0.00 0.00 70.33 70.28 1bg1 n THR 620 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 1bg1 n PHE 621 N -0.49 -0.40 -4.32 1.09 1.16 -1.26 -1.80 117.46 111.44 1bg1 n PHE 621 Ca -0.04 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.32 1bg1 n PHE 621 Cb 0.52 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.28 1bg1 n PHE 621 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1bg1 s THR 622 N -2.39 1.77 0.00 1.97 2.01 -1.17 -3.88 115.64 113.95 1bg1 s THR 622 Ca 0.00 -1.86 0.00 0.00 0.31 0.00 0.00 61.69 60.14 1bg1 s THR 622 Cb 0.00 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 70.72 1bg1 s THR 622 CO 0.00 -0.30 0.00 -2.67 -0.69 0.00 0.00 174.62 170.96 1bg1 n TRP 623 N 0.40 0.00 -3.49 4.92 4.27 -1.14 -4.36 117.44 118.03 1bg1 n TRP 623 Ca -0.14 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.05 1bg1 n TRP 623 Cb 0.57 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.47 1bg1 n TRP 623 CO 0.00 0.00 0.00 0.14 -2.29 0.00 0.00 177.69 175.54 1bg1 s VAL 624 N -0.82 4.93 -0.29 -1.67 -7.23 -1.26 -2.32 120.40 111.75 1bg1 s VAL 624 Ca 0.00 -3.01 0.03 0.00 -1.81 0.00 0.00 61.98 57.19 1bg1 s VAL 624 Cb 0.00 -4.07 0.17 0.00 0.56 0.00 0.00 36.38 33.04 1bg1 s VAL 624 CO 0.00 -1.02 0.46 -1.61 -0.31 0.00 0.00 175.10 172.62 1bg1 s GLU 625 N -0.40 0.46 0.00 4.82 2.02 -1.26 -4.92 118.70 119.42 1bg1 s GLU 625 Ca 0.21 0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.44 1bg1 s GLU 625 Cb -0.12 -0.15 0.00 0.00 0.10 0.00 0.00 34.13 33.96 1bg1 s GLU 625 CO -0.08 -1.04 0.00 1.17 0.02 0.00 0.00 175.26 175.33 1bg1 n LYS 626 N 5.36 0.00 0.00 1.61 4.81 -1.26 -5.07 118.16 123.61 1bg1 n LYS 626 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1bg1 n LYS 626 Cb 0.51 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.56 1bg1 n LYS 626 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1bg1 n ASP 627 N 0.00 -2.94 -4.48 3.14 9.92 -1.26 -4.32 116.55 116.61 1bg1 n ASP 627 Ca 0.00 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.83 1bg1 n ASP 627 Cb 0.00 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.43 1bg1 n ASP 627 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1bg1 s ILE 628 N 0.00 4.57 -0.03 0.53 1.01 -1.26 -5.00 121.20 121.02 1bg1 s ILE 628 Ca 0.00 -0.09 -0.39 0.00 0.00 0.00 0.00 60.65 60.17 1bg1 s ILE 628 Cb 0.00 -4.46 -0.17 0.00 0.01 0.00 0.00 42.46 37.83 1bg1 s ILE 628 CO 0.00 -1.03 1.37 -0.24 0.00 0.00 0.00 174.94 175.04 1bg1 n SER 629 N 6.99 1.40 0.00 3.58 2.88 -1.26 -4.94 113.62 122.27 1bg1 n SER 629 Ca -0.02 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1bg1 n SER 629 Cb 0.46 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 1bg1 n SER 629 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bg1 n GLY 630 N 2.68 1.67 2.46 0.46 0.00 -1.26 -4.81 105.19 106.38 1bg1 n GLY 630 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 1bg1 n GLY 630 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bg1 n SER 631 N -0.25 2.27 -2.59 1.61 7.64 -1.26 -4.98 113.62 116.06 1bg1 n SER 631 Ca 0.00 -3.23 -0.01 0.00 1.01 0.00 0.00 58.87 56.64 1bg1 n SER 631 Cb 0.00 -0.61 -0.01 0.00 -1.01 0.00 0.00 64.21 62.58 1bg1 n SER 631 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1bg1 n THR 632 N 0.37-11.47 -2.74 0.44 -2.24 -1.26 -4.94 114.28 92.43 1bg1 n THR 632 Ca 0.27 1.92 -0.42 0.00 -2.27 0.00 0.00 64.05 63.54 1bg1 n THR 632 Cb 0.52 -6.62 -0.03 0.00 -2.10 0.00 0.00 70.33 62.10 1bg1 n THR 632 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1bg1 s GLN 633 N -1.31 3.28 0.37 -0.78 0.74 -1.26 -4.87 119.66 115.83 1bg1 s GLN 633 Ca -0.06 -0.86 -0.27 0.00 0.05 0.00 0.00 55.36 54.22 1bg1 s GLN 633 Cb 0.00 -4.48 -0.09 0.00 1.10 0.00 0.00 33.01 29.54 1bg1 s GLN 633 CO 0.73 -1.96 1.29 0.42 -0.55 0.00 0.00 175.29 175.22 1bg1 s ILE 634 N 4.44 2.72 0.15 -2.34 1.01 -1.26 -4.14 121.20 121.78 1bg1 s ILE 634 Ca 0.31 0.68 -0.04 0.00 0.00 0.00 0.00 60.65 61.60 1bg1 s ILE 634 Cb -0.10 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 1bg1 s ILE 634 CO 0.06 0.13 0.14 -1.10 0.00 0.00 0.00 174.94 174.16 1bg1 s GLN 635 N -2.04 1.03 -0.08 2.79 -0.21 -0.98 -4.98 119.66 115.20 1bg1 s GLN 635 Ca 0.53 -1.37 -0.15 0.00 0.02 0.00 0.00 55.36 54.39 1bg1 s GLN 635 Cb -0.38 0.29 0.03 0.00 1.00 0.00 0.00 33.01 33.95 1bg1 s GLN 635 CO 0.50 -0.33 0.37 -1.12 -2.12 0.00 0.00 175.29 172.59 1bg1 s SER 636 N -3.03 -0.32 0.57 5.90 0.01 -1.25 -2.91 113.70 112.67 1bg1 s SER 636 Ca 0.23 0.45 0.01 0.00 1.31 0.00 0.00 55.95 57.95 1bg1 s SER 636 Cb 0.06 0.55 0.04 0.00 0.21 0.00 0.00 66.02 66.88 1bg1 s SER 636 CO 0.02 -0.32 0.81 0.54 0.41 0.00 0.00 173.24 174.70 1bg1 s VAL 637 N -0.62 2.59 0.01 3.43 0.11 -1.26 -5.02 120.40 119.63 1bg1 s VAL 637 Ca -0.07 -0.64 -0.30 0.00 -2.93 0.00 0.00 61.98 58.03 1bg1 s VAL 637 Cb -0.04 -2.95 -0.06 0.00 -1.53 0.00 0.00 36.38 31.80 1bg1 s VAL 637 CO 0.03 0.00 1.42 -0.70 -3.33 0.00 0.00 175.10 172.52 1bg1 s GLU 638 N -4.82 4.28 0.45 1.54 2.12 -1.26 -4.81 118.70 116.20 1bg1 s GLU 638 Ca 0.58 1.99 -0.21 0.00 0.36 0.00 0.00 54.97 57.69 1bg1 s GLU 638 Cb -0.10 -3.57 -0.12 0.00 0.26 0.00 0.00 34.13 30.60 1bg1 s GLU 638 CO 0.39 -0.58 0.50 -0.35 -0.54 0.00 0.00 175.26 174.68 1bg1 n PRO 639 N 5.35 0.53 -3.39 4.30 -0.04 -1.26 -4.96 135.00 135.52 1bg1 n PRO 639 Ca 0.13 0.19 -0.40 0.00 -0.04 0.00 0.00 63.50 63.39 1bg1 n PRO 639 Cb 0.43 -1.51 -0.09 0.00 -0.04 0.00 0.00 33.50 32.29 1bg1 n PRO 639 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1bg1 s TYR 640 N -1.55 3.23 0.92 0.54 2.02 -0.92 -4.78 117.35 116.80 1bg1 s TYR 640 Ca 0.64 0.24 -0.11 0.00 -0.37 0.00 0.00 57.07 57.46 1bg1 s TYR 640 Cb -0.57 -2.63 0.14 0.00 -0.40 0.00 0.00 41.96 38.51 1bg1 s TYR 640 CO 0.58 -0.32 1.09 -0.08 -1.57 0.00 0.00 175.55 175.25 1bg1 s THR 641 N 2.07 2.58 0.33 -0.71 -1.32 -1.26 -3.01 115.64 114.31 1bg1 s THR 641 Ca 0.14 0.19 0.11 0.00 -1.21 0.00 0.00 61.69 60.92 1bg1 s THR 641 Cb -0.16 -2.57 0.32 0.00 -1.51 0.00 0.00 72.50 68.58 1bg1 s THR 641 CO 0.11 -0.24 1.73 0.11 -2.21 0.00 0.00 174.62 174.11 1bg1 h LYS 642 N -1.67 0.53 -0.12 7.08 1.57 -1.92 0.53 116.57 122.57 1bg1 h LYS 642 Ca -0.49 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.12 1bg1 h LYS 642 Cb 1.28 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1bg1 h LYS 642 CO 0.52 0.35 -0.52 1.96 -0.57 0.00 0.00 179.45 181.19 1bg1 h GLN 643 N 0.54 0.34 0.00 3.15 4.20 -1.96 -2.40 115.11 118.98 1bg1 h GLN 643 Ca 0.65 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 59.16 1bg1 h GLN 643 Cb 1.30 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1bg1 h GLN 643 CO -0.46 0.78 0.00 1.96 -0.67 0.00 0.00 178.83 180.43 1bg1 h GLN 644 N 0.27 0.00 -0.01 1.46 1.08 -0.26 -1.13 115.11 116.51 1bg1 h GLN 644 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1bg1 h GLN 644 Cb 1.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.43 1bg1 h GLN 644 CO 0.09 0.00 -0.19 1.28 -0.95 0.00 0.00 178.83 179.06 1bg1 n LEU 645 N -2.82 1.06 0.07 1.46 4.77 -0.86 -3.29 117.00 117.40 1bg1 n LEU 645 Ca -0.01 -0.28 -0.03 0.00 -0.03 0.00 0.00 56.01 55.66 1bg1 n LEU 645 Cb 0.17 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 1bg1 n LEU 645 CO 0.21 0.19 0.10 0.78 -1.33 0.00 0.00 177.39 177.34 1bg1 h ASN 646 N 1.37 0.00 1.11 -1.43 4.21 -1.25 -3.31 115.58 116.28 1bg1 h ASN 646 Ca 0.00 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.45 1bg1 h ASN 646 Cb 0.49 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.68 1bg1 h ASN 646 CO 0.00 0.75 -0.27 0.78 -1.29 0.00 0.00 177.43 177.40 1bg1 h ASN 647 N 0.00 0.00 0.00 5.81 4.21 -1.58 -3.46 115.58 120.56 1bg1 h ASN 647 Ca -0.07 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.44 1bg1 h ASN 647 Cb 1.63 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.83 1bg1 h ASN 647 CO 0.09 0.27 0.00 0.80 -1.29 0.00 0.00 177.43 177.30 1bg1 n MET 648 N -3.34 0.00 -1.26 0.81 0.00 -1.25 -4.90 117.12 107.19 1bg1 n MET 648 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.39 1bg1 n MET 648 Cb 0.50 0.00 0.10 0.00 0.00 0.00 0.00 33.22 33.82 1bg1 n MET 648 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1bg1 s SER 649 N 0.00 4.29 0.11 6.12 1.04 -1.26 -4.60 113.70 119.40 1bg1 s SER 649 Ca 0.00 1.97 -0.21 0.00 0.48 0.00 0.00 55.95 58.19 1bg1 s SER 649 Cb 0.00 -2.54 -0.10 0.00 0.10 0.00 0.00 66.02 63.48 1bg1 s SER 649 CO 0.00 -2.18 1.75 0.15 0.98 0.00 0.00 173.24 173.94 1bg1 h PHE 650 N -0.99 0.11 0.00 5.02 3.57 -1.97 0.36 116.94 123.05 1bg1 h PHE 650 Ca -0.44 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1bg1 h PHE 650 Cb 1.25 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1bg1 h PHE 650 CO 0.55 0.06 0.00 0.00 -2.23 0.00 0.00 178.31 176.69 1bg1 n ALA 651 N -2.14 1.75 0.02 2.41 0.00 -1.26 -0.22 120.51 121.06 1bg1 n ALA 651 Ca -0.05 0.02 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 1bg1 n ALA 651 Cb 0.04 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.00 1bg1 n ALA 651 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bg1 h GLU 652 N 0.00 0.19 -0.03 0.00 4.57 -1.74 -2.59 114.58 114.97 1bg1 h GLU 652 Ca 0.00 -0.32 -0.00 0.00 -1.18 0.00 0.00 59.36 57.85 1bg1 h GLU 652 Cb 0.37 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1bg1 h GLU 652 CO 0.00 0.98 -0.00 0.82 -1.18 0.00 0.00 179.01 179.63 1bg1 h ILE 653 N 0.05 1.27 0.00 2.32 2.04 0.55 -2.19 117.51 121.55 1bg1 h ILE 653 Ca -0.32 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 1bg1 h ILE 653 Cb 2.02 1.77 -0.00 0.00 -0.74 0.00 0.00 36.82 39.87 1bg1 h ILE 653 CO 0.11 0.22 -0.05 0.40 0.00 0.00 0.00 178.15 178.83 1bg1 h ILE 654 N -0.28 0.60 -0.34 -0.67 2.04 -0.70 -2.03 117.51 116.14 1bg1 h ILE 654 Ca 0.01 -0.21 -0.26 0.00 1.00 0.00 0.00 64.86 65.40 1bg1 h ILE 654 Cb 0.35 1.13 -0.23 0.00 -0.74 0.00 0.00 36.82 37.33 1bg1 h ILE 654 CO 0.00 0.05 -0.71 0.23 0.00 0.00 0.00 178.15 177.72 1bg1 n MET 655 N -3.85 2.32 -0.93 2.37 2.81 -0.98 -4.63 117.12 114.24 1bg1 n MET 655 Ca -0.03 -3.58 -0.04 0.00 -1.81 0.00 0.00 57.70 52.24 1bg1 n MET 655 Cb 0.14 -1.77 -0.04 0.00 -0.71 0.00 0.00 33.22 30.84 1bg1 n MET 655 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1bg1 n GLY 656 N -0.79 0.20 3.02 3.03 0.00 -0.83 -4.93 105.19 104.89 1bg1 n GLY 656 Ca 0.27 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 1bg1 n GLY 656 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1bg1 s TYR 657 N 0.01 3.77 -0.08 1.61 5.04 -0.80 -4.81 117.35 122.08 1bg1 s TYR 657 Ca 0.00 -3.00 -0.07 0.00 -2.44 0.00 0.00 57.07 51.56 1bg1 s TYR 657 Cb 0.02 -2.92 -0.28 0.00 0.35 0.00 0.00 41.96 39.13 1bg1 s TYR 657 CO -0.01 -0.95 0.51 0.87 -1.34 0.00 0.00 175.55 174.64 1bg1 h LYS 658 N 7.61 0.30 -2.57 4.97 1.79 -1.88 -0.55 116.57 126.24 1bg1 h LYS 658 Ca -0.04 -0.51 0.00 0.00 -2.18 0.00 0.00 60.65 57.92 1bg1 h LYS 658 Cb 1.02 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1bg1 h LYS 658 CO 0.52 1.22 0.00 -0.89 -1.08 0.00 0.00 179.45 179.22 1bg1 n ILE 659 N -3.50 -1.71 -2.06 1.86 5.41 -1.26 0.29 119.36 118.39 1bg1 n ILE 659 Ca -0.28 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.19 1bg1 n ILE 659 Cb 1.06 -3.43 -0.05 0.00 -0.71 0.00 0.00 39.64 36.51 1bg1 n ILE 659 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 176.55 176.23 1bg1 s MET 660 N -0.10 2.58 0.77 0.38 -2.45 -0.95 -0.12 119.30 119.40 1bg1 s MET 660 Ca 0.00 -0.23 -0.11 0.00 -1.25 0.00 0.00 55.69 54.11 1bg1 s MET 660 Cb 0.00 -5.01 0.05 0.00 1.25 0.00 0.00 34.83 31.12 1bg1 s MET 660 CO 0.00 -3.30 1.08 -0.51 1.05 0.00 0.00 175.02 173.34 1bg1 s ASP 661 N 7.99 4.65 0.56 1.11 1.01 -0.48 -2.27 116.67 129.23 1bg1 s ASP 661 Ca 0.69 1.69 0.49 0.00 0.71 0.00 0.00 52.55 56.14 1bg1 s ASP 661 Cb -0.07 -2.45 1.73 0.00 1.01 0.00 0.00 42.92 43.14 1bg1 s ASP 661 CO 0.01 -1.93 1.59 0.00 0.21 0.00 0.00 175.17 175.05 1bg1 h ALA 662 N -1.05 3.81 0.00 5.23 0.00 -1.88 1.05 119.26 126.43 1bg1 h ALA 662 Ca -0.44 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1bg1 h ALA 662 Cb 1.23 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1bg1 h ALA 662 CO 0.54 -2.37 0.00 0.25 0.00 0.00 0.00 179.25 177.67 1bg1 n THR 663 N -3.97 0.00 -0.36 0.00 -2.24 -1.26 -4.80 114.28 101.65 1bg1 n THR 663 Ca 0.43 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.21 1bg1 n THR 663 Cb 1.97 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1bg1 n THR 663 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1bg1 n ASN 664 N -0.92 0.00 -4.66 3.42 3.02 0.36 -4.96 115.26 111.53 1bg1 n ASN 664 Ca 0.06 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.23 1bg1 n ASN 664 Cb 0.03 -1.01 -0.08 0.00 -0.61 0.00 0.00 39.78 38.11 1bg1 n ASN 664 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1bg1 s ILE 665 N -2.22 5.24 -0.46 2.41 1.01 -1.23 -4.81 121.20 121.14 1bg1 s ILE 665 Ca 0.00 0.55 -0.29 0.00 0.00 0.00 0.00 60.65 60.91 1bg1 s ILE 665 Cb 0.00 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.82 1bg1 s ILE 665 CO 0.00 0.26 1.31 -0.76 0.00 0.00 0.00 174.94 175.75 1bg1 s LEU 666 N 1.34 3.58 0.00 2.97 1.02 -1.26 -1.38 118.68 124.96 1bg1 s LEU 666 Ca 0.15 0.62 0.00 0.00 0.02 0.00 0.00 54.13 54.93 1bg1 s LEU 666 Cb -0.15 -3.49 0.00 0.00 0.02 0.00 0.00 46.19 42.57 1bg1 s LEU 666 CO 0.07 -1.40 0.00 0.52 0.02 0.00 0.00 176.35 175.56 1bg1 n VAL 667 N 6.98 0.00 -3.55 -1.59 0.31 0.83 -4.72 118.33 116.58 1bg1 n VAL 667 Ca 0.14 0.06 -0.15 0.00 -0.01 0.00 0.00 64.34 64.38 1bg1 n VAL 667 Cb 0.48 -0.43 -0.06 0.00 -0.91 0.00 0.00 33.84 32.93 1bg1 n VAL 667 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1bg1 s SER 668 N -1.36 -0.58 -0.53 4.52 1.04 0.85 -4.76 113.70 112.89 1bg1 s SER 668 Ca 0.00 0.69 -0.28 0.00 0.48 0.00 0.00 55.95 56.84 1bg1 s SER 668 Cb 0.00 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.70 1bg1 s SER 668 CO 0.00 -0.49 1.26 -2.16 0.98 0.00 0.00 173.24 172.84 1bg1 s PRO 669 N -0.99 3.52 0.28 4.02 0.04 -0.21 -4.81 135.00 136.85 1bg1 s PRO 669 Ca -0.07 0.47 -0.28 0.00 0.04 0.00 0.00 61.00 61.16 1bg1 s PRO 669 Cb -0.01 -4.02 -0.14 0.00 0.04 0.00 0.00 34.50 30.37 1bg1 s PRO 669 CO 0.06 -1.65 0.91 1.28 0.04 0.00 0.00 177.00 177.64 1bg1 n LEU 670 N 8.62 1.24 0.00 -3.56 4.77 -1.26 -4.98 117.00 121.82 1bg1 n LEU 670 Ca 0.11 1.16 -0.14 0.00 -0.03 0.00 0.00 56.01 57.12 1bg1 n LEU 670 Cb 0.49 -1.23 0.10 0.00 -2.33 0.00 0.00 43.42 40.45 1bg1 n LEU 670 CO 0.71 -1.71 0.35 1.33 -1.33 0.00 0.00 177.39 176.75 1bg1 n VAL 671 N 0.15 0.00 -3.00 4.08 0.24 -1.19 -4.77 118.33 113.83 1bg1 n VAL 671 Ca 0.11 -0.36 -0.01 0.00 -2.04 0.00 0.00 64.34 62.04 1bg1 n VAL 671 Cb 0.31 -1.50 0.00 0.00 -1.47 0.00 0.00 33.84 31.18 1bg1 n VAL 671 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1bg1 n TYR 672 N -3.14 -1.73 -1.68 6.34 4.01 -1.15 -2.67 117.16 117.14 1bg1 n TYR 672 Ca 0.07 0.76 -0.46 0.00 -0.16 0.00 0.00 57.90 58.12 1bg1 n TYR 672 Cb 0.27 -2.28 -0.04 0.00 -0.31 0.00 0.00 39.34 36.98 1bg1 n TYR 672 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1bg1 n LEU 673 N 1.00 3.35 0.00 7.72 7.94 0.43 -2.12 117.00 135.32 1bg1 n LEU 673 Ca -0.00 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.95 1bg1 n LEU 673 Cb 0.30 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 42.81 1bg1 n LEU 673 CO 0.20 -0.15 0.00 0.00 -1.11 0.00 0.00 177.39 176.33 1bg1 n TYR 674 N 4.26 0.00 -0.01 1.96 9.36 0.99 -2.92 117.16 130.80 1bg1 n TYR 674 Ca 0.18 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.31 1bg1 n TYR 674 Cb 0.30 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.96 1bg1 n TYR 674 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1bg1 h PRO 675 N 0.00 -0.32 0.00 2.98 0.11 -1.88 -3.45 132.00 129.44 1bg1 h PRO 675 Ca 0.00 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1bg1 h PRO 675 Cb 0.00 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1bg1 h PRO 675 CO 0.00 -0.21 0.00 -0.40 -0.21 0.00 0.00 178.00 177.18 1bg1 n ASP 676 N -4.24 0.00 -4.54 -2.05 5.68 -1.15 -5.05 116.55 105.19 1bg1 n ASP 676 Ca -0.03 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 53.84 1bg1 n ASP 676 Cb 0.22 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.12 1bg1 n ASP 676 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1bg1 s ILE 677 N 0.00 5.08 0.12 2.12 1.01 -1.15 -4.88 121.20 123.50 1bg1 s ILE 677 Ca 0.00 0.13 -0.32 0.00 0.00 0.00 0.00 60.65 60.46 1bg1 s ILE 677 Cb 0.00 -3.93 -0.12 0.00 0.01 0.00 0.00 42.46 38.43 1bg1 s ILE 677 CO 0.00 -0.21 1.76 -0.81 0.00 0.00 0.00 174.94 175.69 1bg1 n PRO 678 N 5.60 2.56 -1.63 2.79 -0.04 -1.26 0.16 135.00 143.19 1bg1 n PRO 678 Ca -0.07 0.93 -0.47 0.00 -0.04 0.00 0.00 63.50 63.85 1bg1 n PRO 678 Cb 0.49 -2.78 -0.05 0.00 -0.04 0.00 0.00 33.50 31.12 1bg1 n PRO 678 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1bg1 n LYS 679 N 4.95 2.08 0.00 0.54 2.85 -1.26 -3.13 118.16 124.19 1bg1 n LYS 679 Ca 0.18 0.71 0.00 0.00 -1.05 0.00 0.00 58.31 58.15 1bg1 n LYS 679 Cb 0.34 -2.78 0.00 0.00 -0.65 0.00 0.00 35.03 31.94 1bg1 n LYS 679 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1bg1 n GLU 680 N 7.39 0.00 0.21 -1.58 2.13 -1.26 -4.88 120.64 122.66 1bg1 n GLU 680 Ca 0.26 0.00 0.05 0.00 0.66 0.00 0.00 57.16 58.13 1bg1 n GLU 680 Cb 0.33 0.00 0.47 0.00 0.27 0.00 0.00 31.44 32.51 1bg1 n GLU 680 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1bg1 h GLU 681 N 0.00 0.00 0.00 5.31 5.08 -1.92 0.11 114.58 123.16 1bg1 h GLU 681 Ca 0.00 -0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1bg1 h GLU 681 Cb 0.00 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1bg1 h GLU 681 CO 0.00 0.23 -1.73 0.00 -1.00 0.00 0.00 179.01 176.50 1bg1 n ALA 682 N -2.50 1.21 0.30 3.43 0.00 -1.26 -4.74 120.51 116.95 1bg1 n ALA 682 Ca -0.02 -0.90 0.12 0.00 0.00 0.00 0.00 53.44 52.64 1bg1 n ALA 682 Cb 0.28 0.11 0.11 0.00 0.00 0.00 0.00 19.45 19.96 1bg1 n ALA 682 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1bg1 h PHE 683 N -0.92 0.00 0.00 0.00 0.04 -1.90 -3.35 116.94 110.81 1bg1 h PHE 683 Ca -0.35 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.41 1bg1 h PHE 683 Cb 1.27 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.42 1bg1 h PHE 683 CO -0.23 0.00 -0.06 0.78 -0.60 0.00 0.00 178.31 178.20 1bg1 h GLY 684 N 4.18 0.00 2.00 -1.45 0.00 -1.06 -3.10 103.07 103.64 1bg1 h GLY 684 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1bg1 h GLY 684 CO 0.00 0.00 -0.19 0.50 0.00 0.00 0.00 176.54 176.85 1bg1 h LYS 685 N 0.00 0.00 -0.54 4.80 1.57 -1.70 -3.21 116.57 117.49 1bg1 h LYS 685 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bg1 h LYS 685 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1bg1 h LYS 685 CO 0.01 0.19 0.00 0.66 -0.57 0.00 0.00 179.45 179.73 1bg1 n TYR 686 N -3.73 0.93 -3.83 -1.35 4.01 -1.17 -5.00 117.16 107.02 1bg1 n TYR 686 Ca -0.02 -0.56 -0.29 0.00 -0.16 0.00 0.00 57.90 56.87 1bg1 n TYR 686 Cb 0.30 -0.10 -0.04 0.00 -0.31 0.00 0.00 39.34 39.19 1bg1 n TYR 686 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bg1 n ARG 688 N -0.19 0.42 -1.91 0.00 -4.01 -1.26 -5.10 116.66 104.60 1bg1 n ARG 688 Ca -0.05 -0.93 -0.34 0.00 -1.04 0.00 0.00 57.85 55.49 1bg1 n ARG 688 Cb 0.53 1.23 0.04 0.00 -3.04 0.00 0.00 32.46 31.22 1bg1 n ARG 688 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1bg1 s ALA 702 N -1.60 2.50 0.00 2.89 0.00 -1.26 -5.25 121.76 119.04 1bg1 s ALA 702 Ca 0.13 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1bg1 s ALA 702 Cb -0.02 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1bg1 s ALA 702 CO 0.04 -1.19 0.00 0.00 0.00 0.00 0.00 175.76 174.61 1bg1 n ALA 703 N -1.96 0.00 -1.00 0.00 0.00 -1.26 -5.31 120.51 110.98 1bg1 n ALA 703 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1bg1 n ALA 703 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1bg1 n ALA 703 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bg1 n PRO 704 N 0.00 0.63 -3.90 0.00 -0.02 -1.26 -5.23 135.00 125.22 1bg1 n PRO 704 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 1bg1 n PRO 704 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.34 1bg1 n PRO 704 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1bg1 s LEU 706 N 0.00 3.97 0.01 2.45 1.43 -1.26 -5.25 118.68 120.03 1bg1 s LEU 706 Ca 0.00 -2.80 -0.38 0.00 -1.03 0.00 0.00 54.13 49.92 1bg1 s LEU 706 Cb 0.00 -1.49 -0.17 0.00 0.03 0.00 0.00 46.19 44.56 1bg1 s LEU 706 CO 0.00 -0.26 1.38 1.17 0.23 0.00 0.00 176.35 178.87 1bg1 n LYS 707 N 3.37 1.02 -4.57 1.70 4.81 -1.26 -5.00 118.16 118.23 1bg1 n LYS 707 Ca 0.05 0.37 -0.26 0.00 -0.87 0.00 0.00 58.31 57.60 1bg1 n LYS 707 Cb 0.34 -2.00 -0.10 0.00 0.02 0.00 0.00 35.03 33.29 1bg1 n LYS 707 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1bg1 s THR 708 N 0.95 1.37 -0.27 3.15 -4.23 -1.26 -5.16 115.64 110.20 1bg1 s THR 708 Ca 0.88 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 59.25 1bg1 s THR 708 Cb -1.01 -2.68 0.09 0.00 1.34 0.00 0.00 72.50 70.23 1bg1 s THR 708 CO 0.51 0.00 0.64 -0.54 -0.54 0.00 0.00 174.62 174.70 1bg1 s LYS 709 N -3.80 0.64 0.35 3.99 1.02 -1.26 -5.18 119.74 115.49 1bg1 s LYS 709 Ca 0.29 1.22 -0.25 0.00 0.02 0.00 0.00 55.97 57.25 1bg1 s LYS 709 Cb 0.07 0.27 -0.10 0.00 -0.52 0.00 0.00 37.83 37.56 1bg1 s LYS 709 CO 0.14 -0.16 0.96 -0.06 -0.92 0.00 0.00 175.35 175.30 1bg1 s PHE 710 N 1.89 3.59 -0.03 3.18 0.40 -1.26 -5.11 117.98 120.65 1bg1 s PHE 710 Ca -0.09 1.74 -0.17 0.00 -0.60 0.00 0.00 56.93 57.82 1bg1 s PHE 710 Cb -0.07 -2.94 0.03 0.00 0.51 0.00 0.00 43.02 40.55 1bg1 s PHE 710 CO -0.19 0.07 0.36 0.42 0.70 0.00 0.00 175.22 176.58 1bg1 s ILE 711 N -1.70 0.05 -0.23 0.64 1.01 -1.26 -5.00 121.20 114.71 1bg1 s ILE 711 Ca 0.53 -0.39 -0.13 0.00 0.00 0.00 0.00 60.65 60.65 1bg1 s ILE 711 Cb -0.18 -0.65 -0.10 0.00 0.01 0.00 0.00 42.46 41.54 1bg1 s ILE 711 CO 0.23 -0.22 -0.32 0.00 0.00 0.00 0.00 174.94 174.63 1bg1 n VAL 713 N -4.18 -0.69 0.00 0.00 0.31 -1.26 -4.57 118.33 107.93 1bg1 n VAL 713 Ca -0.42 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1bg1 n VAL 713 Cb 0.77 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 1bg1 n VAL 713 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1bg1 n THR 714 N 1.50 0.00 -2.51 2.52 -1.04 -1.26 -4.18 114.28 109.32 1bg1 n THR 714 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 1bg1 n THR 714 Cb 0.09 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.57 1bg1 n THR 714 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1bg1 s PRO 715 N 0.00 3.40 0.00 -2.82 0.02 -1.26 -2.25 135.00 132.09 1bg1 s PRO 715 Ca 0.00 -0.84 0.00 0.00 0.02 0.00 0.00 61.00 60.18 1bg1 s PRO 715 Cb 0.00 -5.07 0.00 0.00 0.02 0.00 0.00 34.50 29.45 1bg1 s PRO 715 CO 0.00 -2.30 0.00 1.19 -0.33 0.00 0.00 177.00 175.56