#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xn0 h ASP 164 N 0.00 -0.86 -0.52 -1.84 3.32 -1.99 -0.22 116.42 114.30 1xn0 h ASP 164 Ca 0.00 0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.16 1xn0 h ASP 164 Cb 0.00 0.32 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1xn0 h ASP 164 CO 0.00 -0.41 0.34 0.45 -1.72 0.00 0.00 179.24 177.90 1xn0 h HIS 165 N -0.56 0.63 -0.01 4.55 3.86 -1.99 -1.41 115.15 120.21 1xn0 h HIS 165 Ca 0.02 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1xn0 h HIS 165 Cb 0.56 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.82 1xn0 h HIS 165 CO -0.25 0.38 0.01 1.25 0.86 0.00 0.00 177.93 180.19 1xn0 h LEU 166 N 0.68 0.02 -0.88 2.43 5.85 -1.81 -1.71 115.31 119.88 1xn0 h LEU 166 Ca 0.20 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.93 1xn0 h LEU 166 Cb -0.04 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1xn0 h LEU 166 CO -0.06 0.02 0.57 0.00 -0.34 0.00 0.00 178.44 178.63 1xn0 h ALA 167 N 0.99 1.14 -0.58 1.25 0.00 -0.91 0.52 119.26 121.67 1xn0 h ALA 167 Ca 0.01 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1xn0 h ALA 167 Cb 0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1xn0 h ALA 167 CO -0.00 0.45 0.13 -0.22 0.00 0.00 0.00 179.25 179.61 1xn0 h LYS 168 N 1.13 0.91 -0.33 0.00 3.64 -1.02 -2.00 116.57 118.91 1xn0 h LYS 168 Ca 0.34 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.40 1xn0 h LYS 168 Cb -0.05 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1xn0 h LYS 168 CO -0.10 0.82 -0.29 1.49 -2.27 0.00 0.00 179.45 179.10 1xn0 h GLU 169 N 0.87 0.70 0.00 1.90 4.57 -0.80 -3.12 114.58 118.70 1xn0 h GLU 169 Ca 0.19 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1xn0 h GLU 169 Cb 0.33 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1xn0 h GLU 169 CO 0.00 0.91 0.00 1.28 -1.18 0.00 0.00 179.01 180.02 1xn0 n LEU 170 N -4.08 0.18 0.27 1.64 4.77 0.13 -2.57 117.00 117.34 1xn0 n LEU 170 Ca -0.01 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.63 1xn0 n LEU 170 Cb 0.47 -0.50 0.77 0.00 -2.33 0.00 0.00 43.42 41.83 1xn0 n LEU 170 CO 0.45 -0.25 1.04 -0.33 -1.33 0.00 0.00 177.39 176.97 1xn0 h GLU 171 N 0.00 0.00 -0.86 3.23 5.08 -1.37 -0.76 114.58 119.90 1xn0 h GLU 171 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1xn0 h GLU 171 Cb 0.36 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.51 1xn0 h GLU 171 CO 0.00 0.06 0.21 -0.25 -1.00 0.00 0.00 179.01 178.04 1xn0 n ASP 172 N -3.92 3.82 -0.18 1.42 8.00 -1.06 -4.61 116.55 120.02 1xn0 n ASP 172 Ca -0.03 -2.83 -0.02 0.00 0.71 0.00 0.00 54.79 52.63 1xn0 n ASP 172 Cb 0.15 -0.67 0.08 0.00 -0.02 0.00 0.00 41.12 40.66 1xn0 n ASP 172 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1xn0 h LEU 173 N 1.83 0.27 -1.26 0.64 5.85 -1.33 -2.36 115.31 118.95 1xn0 h LEU 173 Ca 0.21 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1xn0 h LEU 173 Cb 1.85 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.90 1xn0 h LEU 173 CO 0.52 0.17 0.00 0.59 -0.34 0.00 0.00 178.44 179.39 1xn0 n ASN 174 N -4.96 1.56 -4.26 1.25 3.02 -1.26 -4.83 115.26 105.78 1xn0 n ASN 174 Ca 0.07 -2.12 -0.23 0.00 -0.03 0.00 0.00 54.58 52.27 1xn0 n ASN 174 Cb 0.22 -0.47 -0.12 0.00 -0.61 0.00 0.00 39.78 38.79 1xn0 n ASN 174 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1xn0 s LYS 175 N -1.33 1.07 0.50 3.52 1.02 -0.89 -4.89 119.74 118.74 1xn0 s LYS 175 Ca 0.08 -1.10 0.20 0.00 0.02 0.00 0.00 55.97 55.17 1xn0 s LYS 175 Cb 0.06 -1.26 1.28 0.00 -0.52 0.00 0.00 37.83 37.38 1xn0 s LYS 175 CO 0.03 0.29 2.09 2.35 -0.92 0.00 0.00 175.35 179.19 1xn0 h TRP 176 N 4.19 0.00 0.00 3.18 2.91 -1.90 -2.79 115.95 121.53 1xn0 h TRP 176 Ca -0.45 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.57 1xn0 h TRP 176 Cb 1.18 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.83 1xn0 h TRP 176 CO 0.61 0.10 0.00 0.41 -1.03 0.00 0.00 178.44 178.53 1xn0 n GLY 177 N -1.13 -0.94 3.66 2.65 0.00 -1.26 -4.90 105.19 103.27 1xn0 n GLY 177 Ca -0.03 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1xn0 n GLY 177 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xn0 n LEU 178 N -0.87 3.97 -4.11 0.99 0.00 -1.06 -4.97 117.00 110.95 1xn0 n LEU 178 Ca 0.17 0.97 -0.37 0.00 0.00 0.00 0.00 56.01 56.78 1xn0 n LEU 178 Cb 0.08 -1.45 -0.10 0.00 0.00 0.00 0.00 43.42 41.94 1xn0 n LEU 178 CO 0.13 -1.19 -0.03 0.21 0.00 0.00 0.00 177.39 176.50 1xn0 s ASN 179 N -0.89 5.29 0.49 1.96 3.84 -1.26 -4.95 114.94 119.42 1xn0 s ASN 179 Ca 0.69 -2.52 0.25 0.00 0.21 0.00 0.00 52.86 51.49 1xn0 s ASN 179 Cb -0.47 -1.86 1.25 0.00 -0.55 0.00 0.00 41.25 39.62 1xn0 s ASN 179 CO 0.52 -0.45 1.98 -0.29 -2.79 0.00 0.00 177.10 176.08 1xn0 h ILE 180 N 5.69 0.61 -0.08 -5.21 6.09 -1.98 -2.33 117.51 120.31 1xn0 h ILE 180 Ca -0.06 -0.76 -0.00 0.00 -1.37 0.00 0.00 64.86 62.67 1xn0 h ILE 180 Cb 0.99 1.49 -0.00 0.00 0.47 0.00 0.00 36.82 39.77 1xn0 h ILE 180 CO 0.72 0.17 0.05 -0.26 -3.07 0.00 0.00 178.15 175.75 1xn0 h PHE 181 N 0.00 0.10 -0.69 2.19 0.04 -1.96 -1.74 116.94 114.88 1xn0 h PHE 181 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1xn0 h PHE 181 Cb 0.48 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.56 1xn0 h PHE 181 CO 0.00 0.09 0.44 -0.91 -0.60 0.00 0.00 178.31 177.33 1xn0 h ASN 182 N 0.07 0.80 0.73 2.17 2.35 -1.86 -2.14 115.58 117.70 1xn0 h ASN 182 Ca 0.03 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 1xn0 h ASN 182 Cb 0.02 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1xn0 h ASN 182 CO -0.01 0.60 -0.52 -0.37 -1.65 0.00 0.00 177.43 175.48 1xn0 h VAL 183 N 0.94 1.22 -0.37 2.81 -1.51 -1.19 -2.30 116.25 115.84 1xn0 h VAL 183 Ca 0.25 -1.90 -0.08 0.00 -1.23 0.00 0.00 66.70 63.74 1xn0 h VAL 183 Cb -0.08 2.07 -0.01 0.00 -2.13 0.00 0.00 31.29 31.14 1xn0 h VAL 183 CO -0.05 0.51 -0.07 0.00 -1.23 0.00 0.00 177.57 176.74 1xn0 h ALA 184 N 1.48 0.51 -0.51 5.19 0.00 -0.84 -2.71 119.26 122.38 1xn0 h ALA 184 Ca -0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1xn0 h ALA 184 Cb 1.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1xn0 h ALA 184 CO 0.07 0.34 0.13 0.78 0.00 0.00 0.00 179.25 180.57 1xn0 h GLY 185 N 0.50 0.82 -1.04 0.00 0.00 -1.20 -2.29 103.07 99.86 1xn0 h GLY 185 Ca 0.10 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1xn0 h GLY 185 CO 0.03 0.43 0.00 -1.72 0.00 0.00 0.00 176.54 175.28 1xn0 n TYR 186 N -4.29 0.27 -0.90 5.60 4.01 -0.88 -4.09 117.16 116.87 1xn0 n TYR 186 Ca 0.04 -0.13 0.06 0.00 -0.16 0.00 0.00 57.90 57.70 1xn0 n TYR 186 Cb 0.21 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.33 1xn0 n TYR 186 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1xn0 n SER 187 N 0.49 1.95 -3.50 7.72 3.41 -1.03 -4.75 113.62 117.91 1xn0 n SER 187 Ca 0.16 -2.64 -0.22 0.00 -0.26 0.00 0.00 58.87 55.91 1xn0 n SER 187 Cb 0.36 -0.29 0.05 0.00 -0.26 0.00 0.00 64.21 64.08 1xn0 n SER 187 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xn0 n HIS 188 N -1.02 -2.15 -4.13 7.33 8.25 -1.23 -2.78 115.22 119.50 1xn0 n HIS 188 Ca 0.10 0.73 -0.34 0.00 -0.26 0.00 0.00 57.72 57.95 1xn0 n HIS 188 Cb 0.55 -4.03 -0.05 0.00 1.12 0.00 0.00 29.99 27.57 1xn0 n HIS 188 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1xn0 n ASN 189 N -3.00 -0.73 -2.56 0.41 3.02 -0.88 -4.90 115.26 106.63 1xn0 n ASN 189 Ca -0.14 -1.18 -0.23 0.00 -0.03 0.00 0.00 54.58 53.00 1xn0 n ASN 189 Cb 0.63 -1.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.35 1xn0 n ASN 189 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xn0 n ARG 190 N -4.45 2.89 -0.21 3.52 5.12 -1.12 -4.93 116.66 117.49 1xn0 n ARG 190 Ca -0.23 -4.24 -0.03 0.00 -1.93 0.00 0.00 57.85 51.41 1xn0 n ARG 190 Cb 0.59 -2.03 0.07 0.00 -1.16 0.00 0.00 32.46 29.94 1xn0 n ARG 190 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1xn0 h PRO 191 N 2.70 0.64 -0.41 5.56 0.13 -1.84 -3.04 132.00 135.73 1xn0 h PRO 191 Ca 0.20 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 65.21 1xn0 h PRO 191 Cb 0.95 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1xn0 h PRO 191 CO 0.77 0.42 -0.06 1.25 -0.23 0.00 0.00 178.00 180.15 1xn0 h LEU 192 N 0.66 0.77 -0.83 1.56 5.85 -1.92 -0.68 115.31 120.71 1xn0 h LEU 192 Ca 0.26 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1xn0 h LEU 192 Cb 0.11 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1xn0 h LEU 192 CO -0.14 0.93 0.00 0.41 -0.34 0.00 0.00 178.44 179.29 1xn0 n THR 193 N -4.36 0.00 0.00 1.05 -1.04 -1.15 -1.91 114.28 106.87 1xn0 n THR 193 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1xn0 n THR 193 Cb 0.34 -0.20 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 1xn0 n THR 193 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xn0 n ILE 195 N 0.19 0.00 -0.09 12.58 0.13 -0.26 -1.54 119.36 130.36 1xn0 n ILE 195 Ca 0.00 0.00 -0.13 0.00 -1.10 0.00 0.00 62.75 61.52 1xn0 n ILE 195 Cb 0.07 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 38.83 1xn0 n ILE 195 CO 0.00 0.00 0.00 0.24 2.80 0.00 0.00 176.55 179.59 1xn0 h MET 196 N 0.00 0.70 -0.31 9.51 2.86 -1.61 0.29 114.93 126.38 1xn0 h MET 196 Ca 0.00 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.25 1xn0 h MET 196 Cb 0.00 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1xn0 h MET 196 CO 0.00 0.98 0.12 -0.92 1.06 0.00 0.00 176.91 178.15 1xn0 h TYR 197 N 0.45 0.48 -0.54 -0.22 3.20 -1.53 -1.23 116.97 117.57 1xn0 h TYR 197 Ca 0.05 -0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1xn0 h TYR 197 Cb 0.85 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.94 1xn0 h TYR 197 CO 0.07 0.47 0.33 0.00 -1.64 0.00 0.00 178.16 177.39 1xn0 h ALA 198 N 0.96 0.70 -0.58 1.82 0.00 -1.79 -1.99 119.26 118.37 1xn0 h ALA 198 Ca 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1xn0 h ALA 198 Cb 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1xn0 h ALA 198 CO -0.01 0.04 0.22 0.82 0.00 0.00 0.00 179.25 180.32 1xn0 h ILE 199 N 0.65 1.23 -0.49 0.00 2.04 -0.66 -1.71 117.51 118.57 1xn0 h ILE 199 Ca 0.22 -0.74 -0.11 0.00 1.00 0.00 0.00 64.86 65.23 1xn0 h ILE 199 Cb 0.02 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1xn0 h ILE 199 CO -0.10 0.28 -0.15 -0.26 0.00 0.00 0.00 178.15 177.93 1xn0 h PHE 200 N 0.81 1.04 -0.02 1.37 -1.00 -1.04 -2.33 116.94 115.76 1xn0 h PHE 200 Ca 0.19 -0.22 -0.00 0.00 2.81 0.00 0.00 57.97 60.75 1xn0 h PHE 200 Cb 0.23 -0.26 -0.00 0.00 3.61 0.00 0.00 35.95 39.53 1xn0 h PHE 200 CO 0.01 1.00 0.00 1.96 -1.61 0.00 0.00 178.31 179.68 1xn0 h GLN 201 N 0.82 0.04 -0.97 1.51 4.20 -1.22 -1.19 115.11 118.29 1xn0 h GLN 201 Ca 0.12 -0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.97 1xn0 h GLN 201 Cb 0.69 -0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.37 1xn0 h GLN 201 CO 0.05 0.29 0.59 1.49 -0.67 0.00 0.00 178.83 180.58 1xn0 h GLU 202 N -0.22 0.84 -0.01 1.46 4.57 -1.25 -1.54 114.58 118.43 1xn0 h GLU 202 Ca 0.01 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1xn0 h GLU 202 Cb 0.27 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1xn0 h GLU 202 CO 0.00 0.56 -0.07 0.54 -1.18 0.00 0.00 179.01 178.85 1xn0 n ARG 203 N -4.70 1.25 -1.33 1.92 1.74 -0.88 -4.95 116.66 109.70 1xn0 n ARG 203 Ca 0.20 -0.63 -0.11 0.00 -0.77 0.00 0.00 57.85 56.53 1xn0 n ARG 203 Cb 0.42 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.33 1xn0 n ARG 203 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1xn0 n ASP 204 N -0.33 -4.91 0.13 0.55 4.64 -0.58 -4.91 116.55 111.14 1xn0 n ASP 204 Ca 0.17 0.28 0.03 0.00 -1.38 0.00 0.00 54.79 53.90 1xn0 n ASP 204 Cb 0.31 -3.42 0.41 0.00 -1.04 0.00 0.00 41.12 37.39 1xn0 n ASP 204 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 1xn0 h LEU 205 N 0.00 0.21 -0.79 -2.67 3.38 -1.52 -1.50 115.31 112.42 1xn0 h LEU 205 Ca -0.23 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.58 1xn0 h LEU 205 Cb 0.92 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1xn0 h LEU 205 CO 0.34 0.34 -0.36 -0.07 0.09 0.00 0.00 178.44 178.79 1xn0 h LEU 206 N 0.22 0.51 0.12 1.67 3.38 -1.88 -1.97 115.31 117.35 1xn0 h LEU 206 Ca 0.05 -0.21 -0.20 0.00 0.09 0.00 0.00 57.88 57.61 1xn0 h LEU 206 Cb 0.32 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 40.95 1xn0 h LEU 206 CO 0.02 0.83 -0.85 0.11 0.09 0.00 0.00 178.44 178.63 1xn0 h LYS 207 N 0.41 0.37 -0.73 1.13 6.56 -1.79 -0.73 116.57 121.79 1xn0 h LYS 207 Ca 0.04 -0.55 0.08 0.00 -1.06 0.00 0.00 60.65 59.16 1xn0 h LYS 207 Cb 0.82 0.20 -0.07 0.00 -0.57 0.00 0.00 32.23 32.61 1xn0 h LYS 207 CO 0.07 1.24 0.40 1.15 -2.06 0.00 0.00 179.45 180.24 1xn0 h THR 208 N -0.23 0.91 -0.41 -0.16 2.02 -1.26 -2.86 112.91 110.93 1xn0 h THR 208 Ca -0.14 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1xn0 h THR 208 Cb 1.63 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1xn0 h THR 208 CO 0.16 0.13 0.00 0.49 0.37 0.00 0.00 175.52 176.67 1xn0 n PHE 209 N -4.79 0.86 -3.85 3.16 3.72 -0.75 -4.99 117.46 110.82 1xn0 n PHE 209 Ca 0.11 -0.63 -0.27 0.00 -0.05 0.00 0.00 57.45 56.60 1xn0 n PHE 209 Cb 0.23 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 1xn0 n PHE 209 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1xn0 n ARG 210 N 0.42 -2.79 -3.43 -1.08 1.74 -0.70 -4.58 116.66 106.24 1xn0 n ARG 210 Ca 0.18 0.43 -0.38 0.00 -0.77 0.00 0.00 57.85 57.32 1xn0 n ARG 210 Cb 0.68 -4.43 -0.08 0.00 -1.02 0.00 0.00 32.46 27.61 1xn0 n ARG 210 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1xn0 s ILE 211 N -3.78 5.22 0.31 0.55 1.01 -0.37 -4.71 121.20 119.44 1xn0 s ILE 211 Ca 0.15 0.62 -0.29 0.00 0.00 0.00 0.00 60.65 61.13 1xn0 s ILE 211 Cb -0.06 -3.69 -0.11 0.00 0.01 0.00 0.00 42.46 38.62 1xn0 s ILE 211 CO 0.87 0.26 1.45 -0.55 0.00 0.00 0.00 174.94 176.98 1xn0 s SER 212 N 1.06 6.56 0.19 3.58 0.15 -1.26 -4.77 113.70 119.20 1xn0 s SER 212 Ca 0.17 2.82 -0.11 0.00 0.70 0.00 0.00 55.95 59.53 1xn0 s SER 212 Cb -0.15 -2.64 0.12 0.00 -1.71 0.00 0.00 66.02 61.64 1xn0 s SER 212 CO 0.07 -0.74 1.81 -1.28 1.20 0.00 0.00 173.24 174.30 1xn0 h SER 213 N 4.11 0.85 0.09 5.45 0.87 -1.96 0.53 113.55 123.49 1xn0 h SER 213 Ca -0.48 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 59.98 1xn0 h SER 213 Cb 1.23 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1xn0 h SER 213 CO 0.72 0.70 -0.04 0.44 -0.53 0.00 0.00 176.83 178.12 1xn0 h ASP 214 N 0.93 -0.10 -0.85 6.23 3.32 -2.00 -1.87 116.42 122.08 1xn0 h ASP 214 Ca 0.24 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.30 1xn0 h ASP 214 Cb 0.04 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 1xn0 h ASP 214 CO -0.04 -0.05 0.56 0.74 -1.72 0.00 0.00 179.24 178.73 1xn0 h THR 215 N -0.15 1.14 -0.18 0.35 2.02 -1.74 -0.80 112.91 113.54 1xn0 h THR 215 Ca -0.01 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 1xn0 h THR 215 Cb 0.12 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 1xn0 h THR 215 CO 0.02 0.19 0.06 0.15 0.37 0.00 0.00 175.52 176.31 1xn0 h PHE 216 N 1.05 0.29 -0.40 3.16 3.57 -0.62 -2.26 116.94 121.74 1xn0 h PHE 216 Ca 0.34 -0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.70 1xn0 h PHE 216 Cb 0.03 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1xn0 h PHE 216 CO -0.00 0.37 -0.17 0.82 -2.23 0.00 0.00 178.31 177.10 1xn0 h ILE 217 N 0.13 1.28 -0.44 1.41 1.08 -1.03 -0.56 117.51 119.38 1xn0 h ILE 217 Ca 0.06 -1.30 0.01 0.00 -0.39 0.00 0.00 64.86 63.24 1xn0 h ILE 217 Cb 0.21 1.27 -0.02 0.00 -3.07 0.00 0.00 36.82 35.21 1xn0 h ILE 217 CO -0.00 0.43 0.29 0.74 -0.69 0.00 0.00 178.15 178.92 1xn0 h THR 218 N 0.63 1.11 -0.31 -0.27 2.02 -1.12 0.19 112.91 115.15 1xn0 h THR 218 Ca 0.09 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 1xn0 h THR 218 Cb 0.72 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1xn0 h THR 218 CO 0.05 0.11 0.05 0.22 0.37 0.00 0.00 175.52 176.32 1xn0 h TYR 219 N 0.59 0.55 -0.32 3.16 3.20 -1.25 -2.42 116.97 120.48 1xn0 h TYR 219 Ca 0.16 -0.08 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 1xn0 h TYR 219 Cb -0.06 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 1xn0 h TYR 219 CO -0.05 0.60 -0.22 0.52 -1.64 0.00 0.00 178.16 177.37 1xn0 h MET 220 N 0.35 0.62 -0.47 1.82 2.86 -0.74 0.08 114.93 119.44 1xn0 h MET 220 Ca 0.10 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 1xn0 h MET 220 Cb 0.34 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1xn0 h MET 220 CO 0.01 0.79 0.11 0.52 1.06 0.00 0.00 176.91 179.40 1xn0 h MET 221 N 0.55 0.77 -0.34 1.72 2.86 -0.59 0.03 114.93 119.92 1xn0 h MET 221 Ca 0.08 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 1xn0 h MET 221 Cb 0.68 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 1xn0 h MET 221 CO 0.05 0.76 -0.05 1.15 1.06 0.00 0.00 176.91 179.88 1xn0 h THR 222 N 0.64 1.27 0.00 2.22 2.02 -1.13 -1.32 112.91 116.62 1xn0 h THR 222 Ca 0.15 -1.08 0.03 0.00 0.77 0.00 0.00 66.41 66.28 1xn0 h THR 222 Cb 0.34 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1xn0 h THR 222 CO 0.00 0.35 -0.18 0.25 0.37 0.00 0.00 175.52 176.32 1xn0 h LEU 223 N 0.43 -0.52 -0.96 2.58 5.85 -0.89 -1.99 115.31 119.80 1xn0 h LEU 223 Ca 0.09 0.08 0.11 0.00 0.84 0.00 0.00 57.88 59.00 1xn0 h LEU 223 Cb 0.53 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.70 1xn0 h LEU 223 CO 0.03 -0.24 0.59 -0.08 -0.34 0.00 0.00 178.44 178.39 1xn0 h GLU 224 N -0.29 0.92 0.00 1.25 4.81 -0.90 -0.43 114.58 119.94 1xn0 h GLU 224 Ca 0.06 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1xn0 h GLU 224 Cb 0.36 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 1xn0 h GLU 224 CO -0.17 0.61 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.21 1xn0 h ASP 225 N 0.94 0.00 0.63 1.04 3.32 -0.74 -2.30 116.42 119.32 1xn0 h ASP 225 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 1xn0 h ASP 225 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1xn0 h ASP 225 CO -0.26 0.06 -0.05 1.41 -1.72 0.00 0.00 179.24 178.69 1xn0 n HIS 226 N -3.42 0.00 -3.24 4.55 8.25 -0.17 -4.67 115.22 116.50 1xn0 n HIS 226 Ca -0.02 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.06 1xn0 n HIS 226 Cb 0.21 -0.32 -0.06 0.00 1.12 0.00 0.00 29.99 30.94 1xn0 n HIS 226 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1xn0 s TYR 227 N -2.68 3.48 -0.01 4.41 1.51 -0.87 -1.66 117.35 121.53 1xn0 s TYR 227 Ca 0.24 0.92 -0.30 0.00 -1.01 0.00 0.00 57.07 56.92 1xn0 s TYR 227 Cb 0.20 -2.64 -0.04 0.00 -0.11 0.00 0.00 41.96 39.37 1xn0 s TYR 227 CO 0.49 0.07 1.21 -1.01 -1.11 0.00 0.00 175.55 175.20 1xn0 s HIS 228 N 0.99 3.24 -0.85 2.71 3.76 -1.26 -4.70 115.29 119.18 1xn0 s HIS 228 Ca 0.27 1.21 0.27 0.00 -0.15 0.00 0.00 55.06 56.67 1xn0 s HIS 228 Cb -0.16 -3.44 1.01 0.00 1.11 0.00 0.00 32.58 31.10 1xn0 s HIS 228 CO 0.11 -1.38 1.84 -1.13 -0.85 0.00 0.00 174.74 173.33 1xn0 n SER 229 N 4.79 0.42 -1.25 1.40 3.41 -1.26 -3.39 113.62 117.73 1xn0 n SER 229 Ca 0.10 0.54 0.05 0.00 -0.26 0.00 0.00 58.87 59.31 1xn0 n SER 229 Cb 0.46 -0.65 0.25 0.00 -0.26 0.00 0.00 64.21 64.01 1xn0 n SER 229 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xn0 n ASP 230 N -1.89 3.63 -4.27 4.04 5.75 -1.26 -4.75 116.55 117.80 1xn0 n ASP 230 Ca 0.06 -2.43 -0.33 0.00 -0.01 0.00 0.00 54.79 52.08 1xn0 n ASP 230 Cb 0.38 -0.53 -0.15 0.00 -1.03 0.00 0.00 41.12 39.78 1xn0 n ASP 230 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1xn0 s VAL 231 N -1.91 2.72 0.11 2.12 1.01 -1.22 -5.06 120.40 118.16 1xn0 s VAL 231 Ca 0.34 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 1xn0 s VAL 231 Cb 0.24 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 1xn0 s VAL 231 CO 0.14 0.51 1.58 0.00 0.00 0.00 0.00 175.10 177.33 1xn0 h ALA 232 N 7.32 0.42 0.00 5.51 0.00 -1.85 -3.38 119.26 127.28 1xn0 h ALA 232 Ca -0.33 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 1xn0 h ALA 232 Cb 1.19 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1xn0 h ALA 232 CO 0.57 0.12 -1.50 0.98 0.00 0.00 0.00 179.25 179.42 1xn0 n TYR 233 N -4.61 0.00 -1.03 0.00 9.36 -1.24 -4.76 117.16 114.88 1xn0 n TYR 233 Ca -0.02 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 60.96 1xn0 n TYR 233 Cb 0.22 -0.65 -0.08 0.00 -0.63 0.00 0.00 39.34 38.20 1xn0 n TYR 233 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1xn0 n HIS 234 N -4.34 1.16 -3.80 2.98 8.25 -1.26 -4.32 115.22 113.89 1xn0 n HIS 234 Ca -0.27 -2.12 -0.11 0.00 -0.26 0.00 0.00 57.72 54.96 1xn0 n HIS 234 Cb 0.63 -1.90 -0.01 0.00 1.12 0.00 0.00 29.99 29.83 1xn0 n HIS 234 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1xn0 n ASN 235 N 3.21 1.88 0.18 0.41 0.23 -1.26 -4.59 115.26 115.32 1xn0 n ASN 235 Ca 0.55 -1.76 0.14 0.00 -0.53 0.00 0.00 54.58 52.98 1xn0 n ASN 235 Cb 0.48 0.02 0.54 0.00 -2.08 0.00 0.00 39.78 38.73 1xn0 n ASN 235 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1xn0 h SER 236 N 0.30 0.00 -0.33 0.53 4.64 -1.84 -2.38 113.55 114.48 1xn0 h SER 236 Ca -0.14 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.06 1xn0 h SER 236 Cb 0.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1xn0 h SER 236 CO 0.22 0.00 -0.24 0.25 -0.87 0.00 0.00 176.83 176.20 1xn0 h LEU 237 N 0.00 0.85 -0.42 5.97 5.85 -1.96 -0.71 115.31 124.89 1xn0 h LEU 237 Ca 0.00 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 1xn0 h LEU 237 Cb 0.48 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1xn0 h LEU 237 CO 0.00 1.05 0.20 -0.74 -0.34 0.00 0.00 178.44 178.61 1xn0 h HIS 238 N 0.72 0.60 -0.59 1.25 2.76 -1.62 -1.33 115.15 116.94 1xn0 h HIS 238 Ca 0.09 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 1xn0 h HIS 238 Cb 0.77 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.51 1xn0 h HIS 238 CO 0.04 0.49 0.32 0.00 -1.30 0.00 0.00 177.93 177.49 1xn0 h ALA 239 N 1.05 0.75 -0.71 5.26 0.00 -1.41 -1.60 119.26 122.60 1xn0 h ALA 239 Ca 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1xn0 h ALA 239 Cb 0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1xn0 h ALA 239 CO -0.02 0.27 0.33 0.00 0.00 0.00 0.00 179.25 179.83 1xn0 h ALA 240 N 1.15 1.25 -0.40 0.00 0.00 -0.98 -1.29 119.26 118.98 1xn0 h ALA 240 Ca 0.21 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1xn0 h ALA 240 Cb 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1xn0 h ALA 240 CO -0.03 0.57 0.05 0.22 0.00 0.00 0.00 179.25 180.05 1xn0 h ASP 241 N 1.00 0.66 0.01 0.00 3.58 -0.86 -0.80 116.42 120.02 1xn0 h ASP 241 Ca 0.24 -0.28 -0.17 0.00 0.42 0.00 0.00 57.03 57.25 1xn0 h ASP 241 Cb 0.12 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 40.99 1xn0 h ASP 241 CO -0.03 0.77 -0.57 0.58 -2.88 0.00 0.00 179.24 177.11 1xn0 h VAL 242 N 0.53 1.32 -0.44 2.25 2.07 -1.10 0.85 116.25 121.73 1xn0 h VAL 242 Ca 0.12 -1.82 -0.06 0.00 0.82 0.00 0.00 66.70 65.76 1xn0 h VAL 242 Cb 0.40 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1xn0 h VAL 242 CO 0.01 0.57 0.05 0.00 0.02 0.00 0.00 177.57 178.22 1xn0 h ALA 243 N 0.93 0.58 -0.48 1.67 0.00 -1.15 -1.17 119.26 119.65 1xn0 h ALA 243 Ca 0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 1xn0 h ALA 243 Cb 1.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1xn0 h ALA 243 CO 0.11 0.32 -0.23 0.37 0.00 0.00 0.00 179.25 179.82 1xn0 h GLN 244 N 0.59 1.00 -0.39 0.00 -0.00 -0.95 -0.92 115.11 114.44 1xn0 h GLN 244 Ca 0.13 -0.44 -0.08 0.00 -0.00 0.00 0.00 58.65 58.27 1xn0 h GLN 244 Cb 0.41 -0.03 -0.02 0.00 0.00 0.00 0.00 27.48 27.84 1xn0 h GLN 244 CO 0.01 1.11 -0.08 0.77 0.00 0.00 0.00 178.83 180.64 1xn0 h SER 245 N 0.85 0.65 -0.34 -0.69 0.02 -0.79 -2.27 113.55 110.99 1xn0 h SER 245 Ca 0.11 -0.17 -0.14 0.00 -0.84 0.00 0.00 61.79 60.75 1xn0 h SER 245 Cb 0.82 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1xn0 h SER 245 CO 0.07 0.77 -0.32 0.74 -1.14 0.00 0.00 176.83 176.95 1xn0 h THR 246 N 0.61 1.29 -0.75 -2.27 2.02 -1.08 -1.67 112.91 111.06 1xn0 h THR 246 Ca 0.11 -1.49 0.10 0.00 0.77 0.00 0.00 66.41 65.90 1xn0 h THR 246 Cb 0.51 1.48 -0.08 0.00 -1.74 0.00 0.00 68.15 68.32 1xn0 h THR 246 CO 0.03 0.49 0.38 -0.74 0.37 0.00 0.00 175.52 176.05 1xn0 h HIS 247 N 0.60 0.67 -0.10 3.16 6.17 -0.80 -1.26 115.15 123.59 1xn0 h HIS 247 Ca 0.06 0.03 -0.05 0.00 0.71 0.00 0.00 60.37 61.11 1xn0 h HIS 247 Cb 0.91 -0.19 -0.00 0.00 2.52 0.00 0.00 27.41 30.65 1xn0 h HIS 247 CO 0.07 0.23 -0.13 0.28 0.71 0.00 0.00 177.93 179.08 1xn0 h VAL 248 N 0.62 1.38 -0.37 5.26 2.07 -1.29 -3.18 116.25 120.74 1xn0 h VAL 248 Ca 0.37 -1.35 0.05 0.00 0.82 0.00 0.00 66.70 66.60 1xn0 h VAL 248 Cb 0.42 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1xn0 h VAL 248 CO -0.29 0.38 0.25 -0.07 0.02 0.00 0.00 177.57 177.87 1xn0 h LEU 249 N -0.16 0.25 -1.72 2.57 3.38 -1.06 -1.09 115.31 117.49 1xn0 h LEU 249 Ca 0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1xn0 h LEU 249 Cb 0.68 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1xn0 h LEU 249 CO 0.03 0.17 -0.04 -0.07 0.09 0.00 0.00 178.44 178.62 1xn0 h LEU 250 N 0.29 0.00 -1.32 1.67 3.38 -1.21 -2.83 115.31 115.30 1xn0 h LEU 250 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1xn0 h LEU 250 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1xn0 h LEU 250 CO -0.03 0.04 0.00 -1.20 0.09 0.00 0.00 178.44 177.34 1xn0 n SER 251 N -3.19 1.94 -4.75 -0.43 7.64 -0.41 -4.81 113.62 109.61 1xn0 n SER 251 Ca -0.00 -1.90 -0.41 0.00 1.01 0.00 0.00 58.87 57.57 1xn0 n SER 251 Cb 0.28 -0.20 -0.02 0.00 -1.01 0.00 0.00 64.21 63.25 1xn0 n SER 251 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1xn0 s THR 252 N -1.60 2.55 0.30 0.44 -4.23 -1.07 -4.88 115.64 107.15 1xn0 s THR 252 Ca 0.28 0.49 0.05 0.00 -1.18 0.00 0.00 61.69 61.33 1xn0 s THR 252 Cb 0.15 -3.31 0.29 0.00 1.34 0.00 0.00 72.50 70.97 1xn0 s THR 252 CO 0.21 0.09 1.76 -0.65 -0.54 0.00 0.00 174.62 175.49 1xn0 h PRO 253 N 4.51 0.67 0.00 3.99 0.11 -1.93 -0.95 132.00 138.41 1xn0 h PRO 253 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1xn0 h PRO 253 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1xn0 h PRO 253 CO 0.74 0.45 0.00 0.00 -0.21 0.00 0.00 178.00 178.98 1xn0 h ALA 254 N 1.65 1.00 -0.35 -0.75 0.00 -1.82 -1.92 119.26 117.08 1xn0 h ALA 254 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1xn0 h ALA 254 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1xn0 h ALA 254 CO -0.40 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.13 1xn0 n LEU 255 N -2.70 2.93 -4.66 0.00 4.77 -0.36 -1.23 117.00 115.75 1xn0 n LEU 255 Ca -0.02 -2.00 -0.51 0.00 -0.03 0.00 0.00 56.01 53.45 1xn0 n LEU 255 Cb 0.06 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 40.86 1xn0 n LEU 255 CO 0.15 0.73 1.23 -0.67 -1.33 0.00 0.00 177.39 177.51 1xn0 n ASP 256 N 0.52 2.66 -0.21 -1.43 2.03 -0.72 -2.13 116.55 117.27 1xn0 n ASP 256 Ca 0.12 1.06 -0.03 0.00 0.52 0.00 0.00 54.79 56.46 1xn0 n ASP 256 Cb 0.43 -1.28 -0.01 0.00 -0.72 0.00 0.00 41.12 39.53 1xn0 n ASP 256 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xn0 n ALA 257 N 4.54 -0.04 0.05 -1.67 0.00 -1.26 -4.87 120.51 117.25 1xn0 n ALA 257 Ca 0.21 0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.49 1xn0 n ALA 257 Cb 0.23 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.23 1xn0 n ALA 257 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xn0 h VAL 258 N 0.00 1.32 -3.14 0.00 2.07 -1.79 -3.46 116.25 111.25 1xn0 h VAL 258 Ca -0.06 -2.28 -0.59 0.00 0.82 0.00 0.00 66.70 64.60 1xn0 h VAL 258 Cb 0.88 2.53 -0.04 0.00 -1.52 0.00 0.00 31.29 33.14 1xn0 h VAL 258 CO 0.08 0.69 -0.26 -0.36 0.02 0.00 0.00 177.57 177.74 1xn0 s PHE 259 N -3.18 3.54 0.77 1.57 0.08 -1.26 -5.01 117.98 114.49 1xn0 s PHE 259 Ca -0.11 0.72 -0.11 0.00 0.12 0.00 0.00 56.93 57.55 1xn0 s PHE 259 Cb 0.06 -2.11 0.05 0.00 -0.57 0.00 0.00 43.02 40.44 1xn0 s PHE 259 CO 0.90 0.48 1.09 0.95 -0.10 0.00 0.00 175.22 178.54 1xn0 s THR 260 N -1.51 3.31 0.30 0.64 -4.23 -1.26 -4.90 115.64 108.00 1xn0 s THR 260 Ca 0.36 0.42 -0.01 0.00 -1.18 0.00 0.00 61.69 61.28 1xn0 s THR 260 Cb -0.13 -3.19 0.25 0.00 1.34 0.00 0.00 72.50 70.77 1xn0 s THR 260 CO 0.20 -0.55 1.96 0.44 -0.54 0.00 0.00 174.62 176.12 1xn0 h ASP 261 N -0.98 0.90 0.06 3.99 3.32 -1.99 -1.54 116.42 120.18 1xn0 h ASP 261 Ca -0.46 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 56.49 1xn0 h ASP 261 Cb 1.25 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1xn0 h ASP 261 CO 0.59 0.67 -0.18 0.25 -1.72 0.00 0.00 179.24 178.85 1xn0 h LEU 262 N 1.04 0.23 -0.25 1.55 5.85 -1.99 -0.48 115.31 121.26 1xn0 h LEU 262 Ca 0.28 -0.06 -0.21 0.00 0.84 0.00 0.00 57.88 58.73 1xn0 h LEU 262 Cb -0.07 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1xn0 h LEU 262 CO -0.05 0.43 -0.84 -0.33 -0.34 0.00 0.00 178.44 177.31 1xn0 h GLU 263 N 0.22 0.49 -0.22 1.25 5.08 -1.68 -2.03 114.58 117.69 1xn0 h GLU 263 Ca 0.04 -0.46 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 1xn0 h GLU 263 Cb 0.46 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1xn0 h GLU 263 CO 0.03 1.09 0.00 0.82 -1.00 0.00 0.00 179.01 179.96 1xn0 h ILE 264 N 0.31 1.25 -0.53 3.13 2.04 -0.69 -2.06 117.51 120.96 1xn0 h ILE 264 Ca -0.06 -0.87 0.06 0.00 1.00 0.00 0.00 64.86 64.99 1xn0 h ILE 264 Cb 1.46 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 38.87 1xn0 h ILE 264 CO 0.15 0.27 0.24 0.25 0.00 0.00 0.00 178.15 179.06 1xn0 h LEU 265 N 0.17 0.32 -0.46 1.44 5.85 -1.11 -1.73 115.31 119.79 1xn0 h LEU 265 Ca 0.06 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1xn0 h LEU 265 Cb 0.39 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1xn0 h LEU 265 CO 0.01 0.22 0.21 0.00 -0.34 0.00 0.00 178.44 178.53 1xn0 h ALA 266 N 1.31 0.60 -0.50 1.25 0.00 -1.21 -0.75 119.26 119.96 1xn0 h ALA 266 Ca 0.24 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1xn0 h ALA 266 Cb 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1xn0 h ALA 266 CO -0.20 0.18 -0.15 0.00 0.00 0.00 0.00 179.25 179.08 1xn0 h ALA 267 N 1.05 0.69 -0.20 0.00 0.00 -1.15 -1.47 119.26 118.18 1xn0 h ALA 267 Ca 0.16 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1xn0 h ALA 267 Cb 0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1xn0 h ALA 267 CO -0.02 0.63 -0.33 0.82 0.00 0.00 0.00 179.25 180.35 1xn0 h ILE 268 N 0.84 1.33 -0.73 0.00 2.04 -1.20 -2.49 117.51 117.30 1xn0 h ILE 268 Ca 0.12 -1.55 0.06 0.00 1.00 0.00 0.00 64.86 64.49 1xn0 h ILE 268 Cb 0.71 1.85 -0.06 0.00 -0.74 0.00 0.00 36.82 38.58 1xn0 h ILE 268 CO 0.05 0.48 0.42 0.15 0.00 0.00 0.00 178.15 179.26 1xn0 h PHE 269 N 0.24 0.78 -0.37 1.37 3.57 -1.13 -1.99 116.94 119.41 1xn0 h PHE 269 Ca 0.01 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1xn0 h PHE 269 Cb 0.92 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 1xn0 h PHE 269 CO 0.09 0.38 0.22 0.00 -2.23 0.00 0.00 178.31 176.77 1xn0 h ALA 270 N 1.37 0.48 -0.24 2.41 0.00 -1.22 -1.91 119.26 120.14 1xn0 h ALA 270 Ca 0.33 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1xn0 h ALA 270 Cb 0.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1xn0 h ALA 270 CO -0.18 -0.02 0.06 0.00 0.00 0.00 0.00 179.25 179.11 1xn0 h ALA 271 N 1.09 0.25 -0.71 0.00 0.00 -1.15 0.78 119.26 119.51 1xn0 h ALA 271 Ca 0.13 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1xn0 h ALA 271 Cb 0.02 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1xn0 h ALA 271 CO -0.02 -0.36 0.47 0.00 0.00 0.00 0.00 179.25 179.33 1xn0 h ALA 272 N 1.17 1.64 -0.00 0.00 0.00 -1.02 -3.04 119.26 118.01 1xn0 h ALA 272 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xn0 h ALA 272 Cb 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1xn0 h ALA 272 CO -0.13 0.27 -0.83 0.44 0.00 0.00 0.00 179.25 178.99 1xn0 n ILE 273 N -4.47 0.00 0.31 0.00 -5.35 -0.75 -4.68 119.36 104.42 1xn0 n ILE 273 Ca 0.10 -0.04 0.18 0.00 -0.27 0.00 0.00 62.75 62.71 1xn0 n ILE 273 Cb 0.17 0.91 0.92 0.00 -1.74 0.00 0.00 39.64 39.90 1xn0 n ILE 273 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 1xn0 h HIS 274 N 0.39 0.00 0.00 4.28 2.07 -0.73 -1.85 115.15 119.32 1xn0 h HIS 274 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1xn0 h HIS 274 Cb 0.54 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.52 1xn0 h HIS 274 CO 0.00 0.00 -0.22 -0.25 -3.07 0.00 0.00 177.93 174.39 1xn0 n ASP 275 N -3.06 1.30 -4.75 3.10 8.00 -1.26 -4.82 116.55 115.06 1xn0 n ASP 275 Ca -0.01 -2.59 -0.41 0.00 0.71 0.00 0.00 54.79 52.49 1xn0 n ASP 275 Cb 0.31 -0.32 -0.02 0.00 -0.02 0.00 0.00 41.12 41.07 1xn0 n ASP 275 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xn0 s VAL 276 N -1.58 2.36 -1.13 2.53 0.11 -0.70 -2.19 120.40 119.81 1xn0 s VAL 276 Ca 0.17 0.30 -0.01 0.00 -2.93 0.00 0.00 61.98 59.51 1xn0 s VAL 276 Cb 0.15 -3.19 0.00 0.00 -1.53 0.00 0.00 36.38 31.81 1xn0 s VAL 276 CO 0.02 0.05 0.17 -0.67 -3.33 0.00 0.00 175.10 171.33 1xn0 n ASP 277 N 2.33 -4.42 -4.70 3.54 2.03 -0.66 -4.35 116.55 110.32 1xn0 n ASP 277 Ca 0.08 -0.09 -0.42 0.00 0.52 0.00 0.00 54.79 54.88 1xn0 n ASP 277 Cb 0.39 -3.47 -0.03 0.00 -0.72 0.00 0.00 41.12 37.29 1xn0 n ASP 277 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1xn0 s HIS 278 N -2.81 3.11 -0.96 -0.67 5.65 -0.93 -4.92 115.29 113.76 1xn0 s HIS 278 Ca 0.08 0.97 0.28 0.00 0.25 0.00 0.00 55.06 56.65 1xn0 s HIS 278 Cb -0.04 -3.62 1.17 0.00 -1.18 0.00 0.00 32.58 28.92 1xn0 s HIS 278 CO 0.10 -2.17 1.90 -0.35 -0.65 0.00 0.00 174.74 173.57 1xn0 n PRO 279 N 4.60 0.04 -0.25 2.88 -0.04 -1.26 -4.63 135.00 136.33 1xn0 n PRO 279 Ca 0.12 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1xn0 n PRO 279 Cb 0.44 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1xn0 n PRO 279 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xn0 n GLY 280 N 1.45 0.86 3.26 0.55 0.00 -1.26 -4.99 105.19 105.06 1xn0 n GLY 280 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 1xn0 n GLY 280 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xn0 s VAL 281 N -2.03 1.30 0.66 1.61 -7.23 -1.26 -4.68 120.40 108.77 1xn0 s VAL 281 Ca 0.00 -1.97 -0.08 0.00 -1.81 0.00 0.00 61.98 58.13 1xn0 s VAL 281 Cb 0.00 -1.76 0.03 0.00 0.56 0.00 0.00 36.38 35.21 1xn0 s VAL 281 CO 0.00 -0.62 0.99 -0.94 -0.31 0.00 0.00 175.10 174.22 1xn0 s SER 282 N -2.95 5.27 0.16 4.85 1.04 -1.26 -4.91 113.70 115.89 1xn0 s SER 282 Ca 0.15 0.73 -0.16 0.00 0.48 0.00 0.00 55.95 57.14 1xn0 s SER 282 Cb -0.00 -1.55 0.08 0.00 0.10 0.00 0.00 66.02 64.65 1xn0 s SER 282 CO 0.02 -1.33 1.71 0.78 0.98 0.00 0.00 173.24 175.41 1xn0 h ASN 283 N -0.45 -0.09 -0.89 7.02 2.35 -2.01 -1.62 115.58 119.89 1xn0 h ASN 283 Ca -0.45 0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.40 1xn0 h ASN 283 Cb 1.28 0.12 -0.05 0.00 0.05 0.00 0.00 38.32 39.72 1xn0 h ASN 283 CO 0.62 -0.01 0.58 -0.61 -1.65 0.00 0.00 177.43 176.36 1xn0 h GLN 284 N 0.13 1.10 -0.20 0.81 5.75 -1.97 -0.79 115.11 119.94 1xn0 h GLN 284 Ca 0.17 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.59 1xn0 h GLN 284 Cb 0.23 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 1xn0 h GLN 284 CO -0.27 0.73 0.05 0.35 -2.65 0.00 0.00 178.83 177.04 1xn0 h PHE 285 N 1.13 0.33 -0.86 3.99 3.04 -1.82 -0.63 116.94 122.11 1xn0 h PHE 285 Ca 0.35 -0.04 0.06 0.00 3.98 0.00 0.00 57.97 62.32 1xn0 h PHE 285 Cb -0.02 -0.09 -0.06 0.00 2.56 0.00 0.00 35.95 38.34 1xn0 h PHE 285 CO -0.00 0.42 0.54 -0.07 -2.02 0.00 0.00 178.31 177.18 1xn0 h LEU 286 N 0.14 0.85 -0.11 0.59 3.38 -0.59 -2.21 115.31 117.35 1xn0 h LEU 286 Ca 0.06 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1xn0 h LEU 286 Cb 0.25 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1xn0 h LEU 286 CO -0.00 0.55 -0.05 0.40 0.09 0.00 0.00 178.44 179.42 1xn0 h ILE 287 N 0.98 1.32 0.00 1.22 2.04 -1.10 -1.02 117.51 120.95 1xn0 h ILE 287 Ca 0.37 -1.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.12 1xn0 h ILE 287 Cb 0.16 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1xn0 h ILE 287 CO -0.17 0.31 -0.19 0.78 0.00 0.00 0.00 178.15 178.88 1xn0 h ASN 288 N -0.12 0.00 -0.09 1.72 2.35 -1.00 -2.74 115.58 115.70 1xn0 h ASN 288 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1xn0 h ASN 288 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1xn0 h ASN 288 CO 0.02 0.19 0.00 0.35 -1.65 0.00 0.00 177.43 176.34 1xn0 n THR 289 N -4.09 0.10 -3.32 2.81 -2.24 -0.84 -4.95 114.28 101.74 1xn0 n THR 289 Ca -0.02 -0.37 -0.24 0.00 -2.27 0.00 0.00 64.05 61.14 1xn0 n THR 289 Cb 0.26 0.73 0.04 0.00 -2.10 0.00 0.00 70.33 69.27 1xn0 n THR 289 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xn0 n ASN 290 N 0.59 -5.65 -4.51 3.42 3.02 -1.03 -4.94 115.26 106.14 1xn0 n ASN 290 Ca 0.17 -0.42 -0.31 0.00 -0.03 0.00 0.00 54.58 53.99 1xn0 n ASN 290 Cb 0.43 -4.54 0.18 0.00 -0.61 0.00 0.00 39.78 35.24 1xn0 n ASN 290 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xn0 n SER 291 N -2.64 -1.07 -0.22 6.41 3.41 -0.40 -4.79 113.62 114.32 1xn0 n SER 291 Ca -0.05 0.19 -0.02 0.00 -0.26 0.00 0.00 58.87 58.73 1xn0 n SER 291 Cb 0.58 -1.30 0.19 0.00 -0.26 0.00 0.00 64.21 63.42 1xn0 n SER 291 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1xn0 h GLU 292 N -2.05 1.02 -0.68 4.33 4.39 -1.92 -2.55 114.58 117.11 1xn0 h GLU 292 Ca -0.49 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.04 1xn0 h GLU 292 Cb 1.30 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 29.72 1xn0 h GLU 292 CO 0.41 0.75 0.22 -0.07 -1.16 0.00 0.00 179.01 179.17 1xn0 h LEU 293 N 1.02 0.98 -0.42 1.33 3.38 -1.92 -0.45 115.31 119.23 1xn0 h LEU 293 Ca 0.26 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1xn0 h LEU 293 Cb 0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1xn0 h LEU 293 CO -0.04 0.92 -0.30 0.00 0.09 0.00 0.00 178.44 179.11 1xn0 h ALA 294 N 1.10 0.60 -0.59 1.53 0.00 -1.76 -1.07 119.26 119.07 1xn0 h ALA 294 Ca 0.22 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1xn0 h ALA 294 Cb 0.28 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1xn0 h ALA 294 CO -0.01 0.64 0.34 -0.07 0.00 0.00 0.00 179.25 180.15 1xn0 h LEU 295 N 0.77 0.72 -0.53 0.00 3.38 -1.34 0.21 115.31 118.52 1xn0 h LEU 295 Ca 0.08 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1xn0 h LEU 295 Cb 0.88 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1xn0 h LEU 295 CO 0.08 0.59 0.23 -0.03 0.09 0.00 0.00 178.44 179.41 1xn0 h MET 296 N 0.80 0.78 -0.72 1.13 4.05 -0.86 -3.20 114.93 116.91 1xn0 h MET 296 Ca 0.21 -0.13 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1xn0 h MET 296 Cb 0.02 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.68 1xn0 h MET 296 CO -0.04 0.66 0.00 0.66 0.23 0.00 0.00 176.91 178.43 1xn0 n TYR 297 N -4.55 1.19 -3.94 1.39 4.01 -0.42 -4.99 117.16 109.84 1xn0 n TYR 297 Ca 0.02 -0.54 -0.29 0.00 -0.16 0.00 0.00 57.90 56.93 1xn0 n TYR 297 Cb 0.14 -0.09 0.01 0.00 -0.31 0.00 0.00 39.34 39.09 1xn0 n TYR 297 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1xn0 n ASN 298 N 1.50 -3.28 0.00 7.72 3.02 0.02 -2.55 115.26 121.69 1xn0 n ASN 298 Ca 0.25 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 1xn0 n ASN 298 Cb 0.73 -3.61 0.00 0.00 -0.61 0.00 0.00 39.78 36.29 1xn0 n ASN 298 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1xn0 n ASP 299 N -2.86 -0.98 -4.61 6.41 8.00 -0.96 -4.96 116.55 116.59 1xn0 n ASP 299 Ca -0.06 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.07 1xn0 n ASP 299 Cb 0.57 -2.46 -0.10 0.00 -0.02 0.00 0.00 41.12 39.10 1xn0 n ASP 299 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1xn0 s GLU 300 N -1.08 3.98 -0.86 -1.24 2.56 -1.06 -4.54 118.70 116.47 1xn0 s GLU 300 Ca 0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 54.97 54.48 1xn0 s GLU 300 Cb 0.00 -3.58 0.02 0.00 2.00 0.00 0.00 34.13 32.58 1xn0 s GLU 300 CO 0.00 -0.07 0.34 0.43 -0.56 0.00 0.00 175.26 175.40 1xn0 n SER 301 N 4.70 -1.89 0.21 -1.70 7.64 -1.26 -4.80 113.62 116.53 1xn0 n SER 301 Ca -0.15 -0.87 -0.17 0.00 1.01 0.00 0.00 58.87 58.70 1xn0 n SER 301 Cb 0.52 -1.05 -0.09 0.00 -1.01 0.00 0.00 64.21 62.58 1xn0 n SER 301 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1xn0 h VAL 302 N -0.75 0.05 -0.57 0.44 2.07 -1.88 -1.16 116.25 114.44 1xn0 h VAL 302 Ca -0.47 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 1xn0 h VAL 302 Cb 0.93 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1xn0 h VAL 302 CO 0.37 0.00 0.02 -0.07 0.02 0.00 0.00 177.57 177.91 1xn0 h LEU 303 N -0.87 0.94 -0.35 2.57 3.38 -1.94 -2.58 115.31 116.46 1xn0 h LEU 303 Ca -0.03 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.59 1xn0 h LEU 303 Cb 0.80 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1xn0 h LEU 303 CO -0.15 0.99 -0.20 -0.33 0.09 0.00 0.00 178.44 178.83 1xn0 h GLU 304 N 0.90 0.76 -0.83 1.13 3.07 -1.87 0.17 114.58 117.91 1xn0 h GLU 304 Ca 0.17 -0.35 0.01 0.00 -0.50 0.00 0.00 59.36 58.69 1xn0 h GLU 304 Cb 0.50 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.35 1xn0 h GLU 304 CO 0.02 0.96 0.55 -0.91 -1.40 0.00 0.00 179.01 178.23 1xn0 h ASN 305 N 0.54 0.95 -0.57 1.42 2.35 -1.22 -2.80 115.58 116.25 1xn0 h ASN 305 Ca 0.07 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.72 1xn0 h ASN 305 Cb 0.76 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 1xn0 h ASN 305 CO 0.06 0.69 0.05 -0.74 -1.65 0.00 0.00 177.43 175.84 1xn0 h HIS 306 N 1.12 1.05 -0.74 1.19 2.76 -0.93 -1.60 115.15 118.00 1xn0 h HIS 306 Ca 0.30 -0.16 0.02 0.00 -2.20 0.00 0.00 60.37 58.33 1xn0 h HIS 306 Cb -0.13 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 28.51 1xn0 h HIS 306 CO -0.01 0.93 0.48 0.45 -1.30 0.00 0.00 177.93 178.48 1xn0 h HIS 307 N 0.86 0.90 -0.58 5.26 3.86 -0.57 -1.26 115.15 123.61 1xn0 h HIS 307 Ca 0.17 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.34 1xn0 h HIS 307 Cb 0.48 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 1xn0 h HIS 307 CO 0.04 0.54 0.13 -0.07 0.86 0.00 0.00 177.93 179.42 1xn0 h LEU 308 N 0.95 0.89 -0.25 2.43 3.38 -1.40 -1.69 115.31 119.62 1xn0 h LEU 308 Ca 0.29 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1xn0 h LEU 308 Cb -0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1xn0 h LEU 308 CO -0.09 0.90 0.11 0.00 0.09 0.00 0.00 178.44 179.45 1xn0 h ALA 309 N 1.03 0.33 -0.43 1.53 0.00 -0.49 -1.62 119.26 119.61 1xn0 h ALA 309 Ca 0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1xn0 h ALA 309 Cb 0.36 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1xn0 h ALA 309 CO 0.00 -0.09 0.11 0.28 0.00 0.00 0.00 179.25 179.55 1xn0 h VAL 310 N 0.27 1.23 -0.89 0.00 2.07 -1.19 0.37 116.25 118.10 1xn0 h VAL 310 Ca 0.09 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1xn0 h VAL 310 Cb 0.15 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1xn0 h VAL 310 CO -0.01 0.28 0.48 1.23 0.02 0.00 0.00 177.57 179.56 1xn0 h GLY 311 N 0.55 1.34 1.84 2.17 0.00 -1.19 -2.34 103.07 105.45 1xn0 h GLY 311 Ca 0.13 -0.62 -0.23 0.00 0.00 0.00 0.00 47.33 46.61 1xn0 h GLY 311 CO 0.00 0.60 -1.08 0.74 0.00 0.00 0.00 176.54 176.80 1xn0 h PHE 312 N 1.26 0.22 -0.27 5.60 0.04 -1.23 -3.28 116.94 119.27 1xn0 h PHE 312 Ca 0.31 -0.15 -0.05 0.00 2.80 0.00 0.00 57.97 60.88 1xn0 h PHE 312 Cb 0.05 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 1xn0 h PHE 312 CO 0.01 1.10 -0.06 -0.22 -0.60 0.00 0.00 178.31 178.54 1xn0 h LYS 313 N 0.04 0.42 0.00 1.51 3.11 -0.51 -2.47 116.57 118.67 1xn0 h LYS 313 Ca -0.06 -0.10 0.00 0.00 -2.81 0.00 0.00 60.65 57.68 1xn0 h LYS 313 Cb 1.82 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.99 1xn0 h LYS 313 CO 0.16 0.50 0.00 -0.07 -2.81 0.00 0.00 179.45 177.23 1xn0 h LEU 314 N 0.40 0.00 0.00 5.20 3.38 -1.49 -2.42 115.31 120.38 1xn0 h LEU 314 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1xn0 h LEU 314 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1xn0 h LEU 314 CO 0.02 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.73 1xn0 n LEU 315 N -2.34 0.00 0.20 1.67 4.77 -0.93 -4.35 117.00 116.01 1xn0 n LEU 315 Ca 0.02 0.45 0.13 0.00 -0.03 0.00 0.00 56.01 56.58 1xn0 n LEU 315 Cb 0.24 -0.45 0.30 0.00 -2.33 0.00 0.00 43.42 41.18 1xn0 n LEU 315 CO 0.21 -0.01 0.85 1.56 -1.33 0.00 0.00 177.39 178.66 1xn0 h GLN 316 N 0.00 0.00 -5.53 3.23 1.08 -1.56 -3.35 115.11 108.97 1xn0 h GLN 316 Ca 0.00 0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.60 1xn0 h GLN 316 Cb 0.44 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 27.76 1xn0 h GLN 316 CO 0.00 0.00 -0.12 -1.21 -0.95 0.00 0.00 178.83 176.55 1xn0 s GLU 317 N -3.24 4.21 0.32 1.46 2.02 -1.26 -4.98 118.70 117.23 1xn0 s GLU 317 Ca 0.07 0.34 0.12 0.00 0.02 0.00 0.00 54.97 55.52 1xn0 s GLU 317 Cb 0.07 -3.53 1.03 0.00 0.10 0.00 0.00 34.13 31.81 1xn0 s GLU 317 CO 0.63 -0.05 1.45 0.39 0.02 0.00 0.00 175.26 177.69 1xn0 n GLU 318 N 4.47 -0.06 -0.64 1.61 1.02 -1.26 -2.88 120.64 122.90 1xn0 n GLU 318 Ca -0.06 1.31 -0.04 0.00 -0.02 0.00 0.00 57.16 58.35 1xn0 n GLU 318 Cb 0.51 -2.25 -0.05 0.00 -0.02 0.00 0.00 31.44 29.63 1xn0 n GLU 318 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1xn0 n HIS 319 N -5.19 0.00 -2.66 -0.32 1.44 -1.26 -4.87 115.22 102.37 1xn0 n HIS 319 Ca 0.30 -1.12 -0.01 0.00 -2.01 0.00 0.00 57.72 54.88 1xn0 n HIS 319 Cb 1.00 -0.85 0.00 0.00 0.12 0.00 0.00 29.99 30.27 1xn0 n HIS 319 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1xn0 n ASP 321 N 1.85 -7.67 0.00 4.39 -0.08 -1.14 -4.69 116.55 109.22 1xn0 n ASP 321 Ca 0.14 1.25 0.09 0.00 -1.51 0.00 0.00 54.79 54.75 1xn0 n ASP 321 Cb 0.62 -5.09 0.40 0.00 2.34 0.00 0.00 41.12 39.39 1xn0 n ASP 321 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1xn0 n ILE 322 N 0.54 0.68 -0.15 5.18 -5.35 -1.26 -2.69 119.36 116.31 1xn0 n ILE 322 Ca 0.01 0.17 0.06 0.00 -0.27 0.00 0.00 62.75 62.73 1xn0 n ILE 322 Cb 0.06 -0.87 0.16 0.00 -1.74 0.00 0.00 39.64 37.25 1xn0 n ILE 322 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1xn0 n PHE 323 N -1.43 0.48 -0.21 4.28 3.72 -1.26 -4.67 117.46 118.36 1xn0 n PHE 323 Ca 0.06 -0.47 0.29 0.00 -0.05 0.00 0.00 57.45 57.27 1xn0 n PHE 323 Cb 0.19 -0.02 0.70 0.00 -0.94 0.00 0.00 39.48 39.41 1xn0 n PHE 323 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 1xn0 h MET 324 N 2.24 0.04 -0.50 -1.08 1.85 -1.88 -2.36 114.93 113.24 1xn0 h MET 324 Ca 0.00 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1xn0 h MET 324 Cb 0.74 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.76 1xn0 h MET 324 CO 0.00 0.03 0.00 0.09 -0.40 0.00 0.00 176.91 176.63 1xn0 n ASN 325 N -4.29 3.52 -4.86 1.39 3.02 -1.26 -4.92 115.26 107.86 1xn0 n ASN 325 Ca 0.20 -2.11 -0.30 0.00 -0.03 0.00 0.00 54.58 52.33 1xn0 n ASN 325 Cb 0.99 -0.37 0.04 0.00 -0.61 0.00 0.00 39.78 39.83 1xn0 n ASN 325 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xn0 s LEU 326 N -1.21 2.99 0.95 3.41 1.43 -0.89 -4.91 118.68 120.45 1xn0 s LEU 326 Ca 0.36 1.31 -0.14 0.00 -1.03 0.00 0.00 54.13 54.63 1xn0 s LEU 326 Cb 0.20 -4.16 0.16 0.00 0.03 0.00 0.00 46.19 42.42 1xn0 s LEU 326 CO 0.22 -1.30 1.17 0.42 0.23 0.00 0.00 176.35 177.09 1xn0 s THR 327 N -3.24 1.95 0.21 5.49 -4.23 -1.26 -4.86 115.64 109.69 1xn0 s THR 327 Ca 0.58 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.99 1xn0 s THR 327 Cb -0.12 -2.78 0.15 0.00 1.34 0.00 0.00 72.50 71.09 1xn0 s THR 327 CO 0.53 0.00 1.80 0.50 -0.54 0.00 0.00 174.62 176.92 1xn0 h LYS 328 N -1.62 1.09 -0.27 3.99 3.64 -1.97 -2.23 116.57 119.20 1xn0 h LYS 328 Ca -0.48 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 58.74 1xn0 h LYS 328 Cb 1.31 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 1xn0 h LYS 328 CO 0.55 0.84 0.16 -0.22 -2.27 0.00 0.00 179.45 178.51 1xn0 h LYS 329 N 1.07 0.38 -0.97 1.90 3.64 -2.01 -2.51 116.57 118.08 1xn0 h LYS 329 Ca 0.26 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1xn0 h LYS 329 Cb 0.10 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 1xn0 h LYS 329 CO -0.04 0.31 0.64 1.96 -2.27 0.00 0.00 179.45 180.06 1xn0 h GLN 330 N 0.33 1.21 -0.59 1.90 4.20 -1.87 -2.30 115.11 117.99 1xn0 h GLN 330 Ca 0.10 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.63 1xn0 h GLN 330 Cb 0.04 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 1xn0 h GLN 330 CO -0.02 0.80 -0.04 0.00 -0.67 0.00 0.00 178.83 178.90 1xn0 h ARG 331 N 1.24 1.07 -0.20 1.46 3.08 -1.20 -1.20 114.38 118.63 1xn0 h ARG 331 Ca 0.38 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1xn0 h ARG 331 Cb -0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1xn0 h ARG 331 CO -0.11 1.07 0.09 1.96 -1.07 0.00 0.00 179.97 181.90 1xn0 h GLN 332 N 0.96 0.30 -0.38 0.04 4.20 -1.05 -0.23 115.11 118.95 1xn0 h GLN 332 Ca 0.16 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.83 1xn0 h GLN 332 Cb 0.61 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1xn0 h GLN 332 CO 0.04 0.36 0.23 1.15 -0.67 0.00 0.00 178.83 179.94 1xn0 h THR 333 N 0.18 1.06 -0.48 -0.54 2.02 -1.40 -0.68 112.91 113.07 1xn0 h THR 333 Ca 0.07 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1xn0 h THR 333 Cb 0.16 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1xn0 h THR 333 CO -0.01 0.09 0.26 0.25 0.37 0.00 0.00 175.52 176.48 1xn0 h LEU 334 N 0.47 0.60 -0.44 2.58 6.46 -1.10 -1.30 115.31 122.57 1xn0 h LEU 334 Ca 0.15 -0.09 0.02 0.00 -0.12 0.00 0.00 57.88 57.83 1xn0 h LEU 334 Cb -0.01 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.74 1xn0 h LEU 334 CO -0.06 0.52 0.26 -0.09 -0.62 0.00 0.00 178.44 178.45 1xn0 h ARG 335 N 0.63 0.51 -0.72 1.25 2.43 -0.70 0.33 114.38 118.10 1xn0 h ARG 335 Ca 0.17 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1xn0 h ARG 335 Cb 0.06 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1xn0 h ARG 335 CO -0.03 0.34 0.44 -0.22 -1.51 0.00 0.00 179.97 178.99 1xn0 h LYS 336 N 0.52 0.98 -0.30 0.20 3.64 -0.89 -1.04 116.57 119.69 1xn0 h LYS 336 Ca 0.18 -0.09 -0.15 0.00 -1.27 0.00 0.00 60.65 59.32 1xn0 h LYS 336 Cb 0.01 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1xn0 h LYS 336 CO -0.08 0.69 -0.40 0.52 -2.27 0.00 0.00 179.45 177.91 1xn0 h MET 337 N 0.99 0.81 -0.16 1.90 2.86 -0.55 -2.23 114.93 118.55 1xn0 h MET 337 Ca 0.26 -0.46 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1xn0 h MET 337 Cb -0.04 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1xn0 h MET 337 CO -0.05 1.10 0.04 0.28 1.06 0.00 0.00 176.91 179.34 1xn0 h VAL 338 N 0.58 1.20 -0.12 -2.22 2.07 -0.85 0.36 116.25 117.28 1xn0 h VAL 338 Ca 0.04 -0.62 0.04 0.00 0.82 0.00 0.00 66.70 66.97 1xn0 h VAL 338 Cb 1.00 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 1xn0 h VAL 338 CO 0.09 0.19 -0.16 0.40 0.02 0.00 0.00 177.57 178.12 1xn0 h ILE 339 N 0.06 0.59 0.05 4.57 2.04 -1.19 -0.82 117.51 122.82 1xn0 h ILE 339 Ca 0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.94 1xn0 h ILE 339 Cb 0.25 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 1xn0 h ILE 339 CO 0.00 0.00 -0.28 -0.78 0.00 0.00 0.00 178.15 177.09 1xn0 h ASP 340 N -0.20 -0.81 -0.06 1.72 1.82 -1.26 -0.91 116.42 116.73 1xn0 h ASP 340 Ca 0.09 0.10 0.01 0.00 -0.39 0.00 0.00 57.03 56.84 1xn0 h ASP 340 Cb 0.33 0.32 -0.01 0.00 0.68 0.00 0.00 39.33 40.65 1xn0 h ASP 340 CO -0.23 -0.35 -0.02 0.24 -1.61 0.00 0.00 179.24 177.26 1xn0 h MET 341 N -0.45 -0.01 -0.42 0.28 2.86 -0.65 -2.18 114.93 114.36 1xn0 h MET 341 Ca 0.05 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1xn0 h MET 341 Cb 0.51 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 1xn0 h MET 341 CO -0.20 -0.00 0.18 0.28 1.06 0.00 0.00 176.91 178.22 1xn0 h VAL 342 N -0.01 1.19 -0.49 -2.22 2.07 -1.09 -1.69 116.25 114.01 1xn0 h VAL 342 Ca 0.03 -0.59 0.10 0.00 0.82 0.00 0.00 66.70 67.06 1xn0 h VAL 342 Cb 0.05 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1xn0 h VAL 342 CO -0.06 0.22 0.34 -0.07 0.02 0.00 0.00 177.57 178.02 1xn0 h LEU 343 N 0.54 0.20 -0.14 2.57 3.38 -1.10 -0.77 115.31 119.99 1xn0 h LEU 343 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1xn0 h LEU 343 Cb 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1xn0 h LEU 343 CO -0.01 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.64 1xn0 n ALA 344 N -2.56 1.61 1.69 1.53 0.00 -0.64 -2.36 120.51 119.78 1xn0 n ALA 344 Ca 0.08 -0.02 0.15 0.00 0.00 0.00 0.00 53.44 53.65 1xn0 n ALA 344 Cb 0.41 -1.25 0.76 0.00 0.00 0.00 0.00 19.45 19.37 1xn0 n ALA 344 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xn0 n THR 345 N -1.64 0.00 -2.24 0.00 -2.24 -0.29 -4.79 114.28 103.07 1xn0 n THR 345 Ca 0.03 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.32 1xn0 n THR 345 Cb 0.17 -0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.15 1xn0 n THR 345 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xn0 s ASP 346 N -2.20 6.54 0.58 3.42 2.15 -0.99 -4.90 116.67 121.26 1xn0 s ASP 346 Ca 0.39 1.52 0.27 0.00 0.43 0.00 0.00 52.55 55.16 1xn0 s ASP 346 Cb 0.21 -2.54 1.66 0.00 -0.30 0.00 0.00 42.92 41.96 1xn0 s ASP 346 CO 0.40 -1.13 2.18 0.24 -0.17 0.00 0.00 175.17 176.69 1xn0 h MET 347 N 9.95 0.00 0.00 4.34 2.86 -1.91 -0.33 114.93 129.84 1xn0 h MET 347 Ca -0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1xn0 h MET 347 Cb 1.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1xn0 h MET 347 CO 1.01 0.00 0.00 0.66 1.06 0.00 0.00 176.91 179.64 1xn0 h SER 348 N 0.00 0.00 0.10 1.22 4.64 -1.97 -2.33 113.55 115.21 1xn0 h SER 348 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1xn0 h SER 348 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1xn0 h SER 348 CO -0.00 0.00 -0.42 0.29 -0.87 0.00 0.00 176.83 175.83 1xn0 n LYS 349 N -2.40 0.96 0.01 4.77 4.76 -0.13 -4.68 118.16 121.45 1xn0 n LYS 349 Ca 0.00 -0.72 -0.11 0.00 -2.87 0.00 0.00 58.31 54.62 1xn0 n LYS 349 Cb 0.15 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.82 1xn0 n LYS 349 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1xn0 h HIS 350 N 1.75 -0.84 -0.93 2.13 -0.00 -1.49 -1.62 115.15 114.15 1xn0 h HIS 350 Ca 0.00 0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.42 1xn0 h HIS 350 Cb 0.64 0.38 -0.05 0.00 -0.00 0.00 0.00 27.41 28.38 1xn0 h HIS 350 CO 0.00 -0.39 0.62 0.52 -0.00 0.00 0.00 177.93 178.68 1xn0 h MET 351 N -0.39 1.22 -0.07 5.26 2.86 -1.83 -0.41 114.93 121.57 1xn0 h MET 351 Ca 0.09 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 1xn0 h MET 351 Cb 0.53 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 1xn0 h MET 351 CO -0.33 0.81 -0.51 1.03 1.06 0.00 0.00 176.91 178.97 1xn0 h SER 352 N 1.26 0.21 -0.15 1.22 0.87 -1.85 -1.92 113.55 113.19 1xn0 h SER 352 Ca 0.35 -0.10 -0.19 0.00 -1.23 0.00 0.00 61.79 60.61 1xn0 h SER 352 Cb -0.13 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 1xn0 h SER 352 CO -0.08 0.69 -0.62 0.25 -0.53 0.00 0.00 176.83 176.53 1xn0 h LEU 353 N 0.15 0.87 -0.21 2.23 5.85 -0.64 -2.68 115.31 120.88 1xn0 h LEU 353 Ca 0.00 -0.50 -0.06 0.00 0.84 0.00 0.00 57.88 58.16 1xn0 h LEU 353 Cb 0.96 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1xn0 h LEU 353 CO 0.08 1.28 -0.11 0.25 -0.34 0.00 0.00 178.44 179.60 1xn0 h LEU 354 N 0.57 0.46 -0.87 2.25 5.85 -1.00 -1.02 115.31 121.54 1xn0 h LEU 354 Ca -0.01 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1xn0 h LEU 354 Cb 1.22 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 1xn0 h LEU 354 CO 0.13 0.77 0.52 0.00 -0.34 0.00 0.00 178.44 179.52 1xn0 h ALA 355 N 0.70 1.11 0.00 1.25 0.00 -1.39 -1.75 119.26 119.18 1xn0 h ALA 355 Ca 0.05 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1xn0 h ALA 355 Cb 0.61 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xn0 h ALA 355 CO 0.03 0.58 -0.45 -0.44 0.00 0.00 0.00 179.25 178.97 1xn0 h ASP 356 N 1.20 0.00 0.42 0.00 5.19 -1.35 -2.88 116.42 119.00 1xn0 h ASP 356 Ca 0.31 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.56 1xn0 h ASP 356 Cb -0.04 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 1xn0 h ASP 356 CO -0.06 0.45 -0.67 0.25 -3.12 0.00 0.00 179.24 176.10 1xn0 h LEU 357 N 0.00 0.26 -0.57 1.55 5.85 -0.66 -2.78 115.31 118.96 1xn0 h LEU 357 Ca -0.00 -0.16 -0.11 0.00 0.84 0.00 0.00 57.88 58.44 1xn0 h LEU 357 Cb 1.05 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1xn0 h LEU 357 CO 0.06 0.85 -0.06 0.11 -0.34 0.00 0.00 178.44 179.06 1xn0 h LYS 358 N 0.16 1.05 -0.23 1.25 1.57 -1.13 -2.56 116.57 116.68 1xn0 h LYS 358 Ca -0.01 -0.37 -0.03 0.00 -1.87 0.00 0.00 60.65 58.37 1xn0 h LYS 358 Cb 1.20 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1xn0 h LYS 358 CO 0.10 1.06 0.02 1.15 -0.57 0.00 0.00 179.45 181.21 1xn0 h THR 359 N 0.94 1.14 -0.30 -0.16 2.02 -1.47 -1.66 112.91 113.43 1xn0 h THR 359 Ca 0.15 -0.52 -0.16 0.00 0.77 0.00 0.00 66.41 66.66 1xn0 h THR 359 Cb 0.63 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 1xn0 h THR 359 CO 0.04 0.18 -0.44 -0.03 0.37 0.00 0.00 175.52 175.64 1xn0 h MET 360 N 0.33 0.76 -0.39 6.66 1.85 -1.22 -3.05 114.93 119.87 1xn0 h MET 360 Ca 0.08 -0.42 -0.07 0.00 -0.61 0.00 0.00 59.70 58.68 1xn0 h MET 360 Cb 0.20 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.24 1xn0 h MET 360 CO 0.00 1.04 -0.05 0.28 -0.40 0.00 0.00 176.91 177.79 1xn0 h VAL 361 N 0.61 1.27 -0.83 -5.77 2.07 -0.98 -1.54 116.25 111.09 1xn0 h VAL 361 Ca 0.04 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.53 1xn0 h VAL 361 Cb 1.00 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.90 1xn0 h VAL 361 CO 0.10 0.37 0.51 -0.33 0.02 0.00 0.00 177.57 178.23 1xn0 h GLU 362 N 0.54 0.90 -0.74 1.57 5.08 -1.32 -2.41 114.58 118.19 1xn0 h GLU 362 Ca 0.11 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1xn0 h GLU 362 Cb 0.54 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1xn0 h GLU 362 CO 0.03 0.59 0.00 0.25 -1.00 0.00 0.00 179.01 178.88 1xn0 n THR 363 N -4.65 1.01 -1.57 1.13 -2.24 -1.15 -5.00 114.28 101.80 1xn0 n THR 363 Ca 0.12 -0.99 -0.45 0.00 -2.27 0.00 0.00 64.05 60.45 1xn0 n THR 363 Cb 0.18 0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 68.87 1xn0 n THR 363 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1xn0 n LYS 364 N 1.65 1.22 -3.91 -0.78 4.81 -0.58 -5.01 118.16 115.56 1xn0 n LYS 364 Ca 0.25 0.43 -0.27 0.00 -0.87 0.00 0.00 58.31 57.84 1xn0 n LYS 364 Cb 0.63 -1.78 -0.17 0.00 0.02 0.00 0.00 35.03 33.73 1xn0 n LYS 364 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1xn0 s LYS 365 N -1.39 1.58 -0.17 1.64 3.01 -1.26 -5.07 119.74 118.08 1xn0 s LYS 365 Ca 0.60 -0.29 -0.01 0.00 -1.01 0.00 0.00 55.97 55.27 1xn0 s LYS 365 Cb -0.73 -1.65 -0.00 0.00 -1.01 0.00 0.00 37.83 34.44 1xn0 s LYS 365 CO 0.59 -0.27 -0.13 0.14 0.51 0.00 0.00 175.35 176.19 1xn0 s VAL 366 N 1.69 2.85 1.32 3.17 -7.23 -1.26 -1.22 120.40 119.71 1xn0 s VAL 366 Ca 0.05 -0.70 -0.20 0.00 -1.81 0.00 0.00 61.98 59.32 1xn0 s VAL 366 Cb -0.13 -2.23 0.33 0.00 0.56 0.00 0.00 36.38 34.91 1xn0 s VAL 366 CO -0.08 0.50 0.99 0.42 -0.31 0.00 0.00 175.10 176.61 1xn0 s THR 367 N 0.95 1.48 0.52 5.32 -4.23 0.01 -4.83 115.64 114.87 1xn0 s THR 367 Ca -0.02 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 60.76 1xn0 s THR 367 Cb -0.15 -2.16 0.32 0.00 1.34 0.00 0.00 72.50 71.85 1xn0 s THR 367 CO -0.01 0.00 2.17 0.77 -0.54 0.00 0.00 174.62 177.01 1xn0 h SER 368 N -3.06 0.00 1.06 3.99 4.64 -2.00 -1.84 113.55 116.34 1xn0 h SER 368 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1xn0 h SER 368 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1xn0 h SER 368 CO 0.36 0.05 0.00 -1.54 -0.87 0.00 0.00 176.83 174.83 1xn0 n SER 369 N -3.85 0.22 0.00 4.97 3.41 -1.26 -4.93 113.62 112.18 1xn0 n SER 369 Ca -0.03 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1xn0 n SER 369 Cb 0.14 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 1xn0 n SER 369 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xn0 n GLY 370 N 1.26 0.82 3.60 5.00 0.00 -0.69 -5.09 105.19 110.09 1xn0 n GLY 370 Ca 0.06 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 1xn0 n GLY 370 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xn0 s VAL 371 N -2.00 3.15 0.37 1.61 0.11 -1.26 -4.61 120.40 117.77 1xn0 s VAL 371 Ca 0.00 -2.04 -0.25 0.00 -2.93 0.00 0.00 61.98 56.76 1xn0 s VAL 371 Cb 0.00 -2.70 -0.10 0.00 -1.53 0.00 0.00 36.38 32.05 1xn0 s VAL 371 CO 0.00 -0.37 1.00 -0.76 -3.33 0.00 0.00 175.10 171.64 1xn0 s LEU 372 N -3.64 4.20 -0.35 2.54 1.43 -0.37 -0.81 118.68 121.68 1xn0 s LEU 372 Ca 0.31 1.92 -0.13 0.00 -1.03 0.00 0.00 54.13 55.21 1xn0 s LEU 372 Cb -0.06 -4.15 -0.00 0.00 0.03 0.00 0.00 46.19 42.01 1xn0 s LEU 372 CO 0.19 -0.31 0.24 -0.22 0.23 0.00 0.00 176.35 176.47 1xn0 s LEU 373 N -2.46 4.60 -0.51 1.79 2.96 -0.36 -4.83 118.68 119.87 1xn0 s LEU 373 Ca 0.55 -0.60 0.03 0.00 -0.22 0.00 0.00 54.13 53.89 1xn0 s LEU 373 Cb -0.19 -2.11 0.15 0.00 0.50 0.00 0.00 46.19 44.53 1xn0 s LEU 373 CO 0.25 -0.29 0.31 -0.76 -1.32 0.00 0.00 176.35 174.53 1xn0 s LEU 374 N 1.68 3.39 0.17 -0.68 1.43 -1.26 -4.69 118.68 118.72 1xn0 s LEU 374 Ca 0.05 -3.03 0.21 0.00 -1.03 0.00 0.00 54.13 50.33 1xn0 s LEU 374 Cb -0.18 -1.24 0.87 0.00 0.03 0.00 0.00 46.19 45.67 1xn0 s LEU 374 CO 0.09 -0.21 1.65 0.47 0.23 0.00 0.00 176.35 178.58 1xn0 n ASP 375 N 3.03 0.46 -4.12 2.29 9.92 -1.26 -4.78 116.55 122.09 1xn0 n ASP 375 Ca 0.12 0.61 -0.10 0.00 -0.53 0.00 0.00 54.79 54.89 1xn0 n ASP 375 Cb 0.35 -0.71 -0.10 0.00 -0.64 0.00 0.00 41.12 40.03 1xn0 n ASP 375 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1xn0 s ASN 376 N -3.85 0.28 0.16 -2.24 2.20 -1.26 -5.05 114.94 105.17 1xn0 s ASN 376 Ca 0.06 -1.15 -0.16 0.00 -0.94 0.00 0.00 52.86 50.67 1xn0 s ASN 376 Cb 0.10 0.31 0.09 0.00 -2.00 0.00 0.00 41.25 39.76 1xn0 s ASN 376 CO 0.37 -0.75 1.72 0.22 -2.94 0.00 0.00 177.10 175.73 1xn0 h TYR 377 N 2.83 0.11 -0.91 1.54 3.20 -2.00 -2.66 116.97 119.08 1xn0 h TYR 377 Ca -0.35 0.02 0.17 0.00 3.14 0.00 0.00 58.73 61.72 1xn0 h TYR 377 Cb 1.20 0.01 -0.10 0.00 1.54 0.00 0.00 36.73 39.38 1xn0 h TYR 377 CO 0.43 0.00 0.49 1.15 -1.64 0.00 0.00 178.16 178.59 1xn0 h THR 378 N 0.19 0.69 -0.17 1.81 2.02 -1.98 -1.04 112.91 114.42 1xn0 h THR 378 Ca 0.18 -0.22 -0.19 0.00 0.77 0.00 0.00 66.41 66.96 1xn0 h THR 378 Cb 0.22 -0.01 0.01 0.00 -1.74 0.00 0.00 68.15 66.63 1xn0 h THR 378 CO -0.25 0.12 -0.62 0.44 0.37 0.00 0.00 175.52 175.58 1xn0 h ASP 379 N 0.65 0.84 0.14 4.18 3.32 -1.89 -2.88 116.42 120.78 1xn0 h ASP 379 Ca 0.51 -0.60 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1xn0 h ASP 379 Cb 0.78 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1xn0 h ASP 379 CO -0.39 1.30 -0.07 0.03 -1.72 0.00 0.00 179.24 178.39 1xn0 h ARG 380 N 0.42 -0.19 0.00 3.56 3.08 -0.89 -2.73 114.38 117.63 1xn0 h ARG 380 Ca -0.03 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1xn0 h ARG 380 Cb 1.24 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.33 1xn0 h ARG 380 CO 0.13 0.05 -0.12 0.97 -1.07 0.00 0.00 179.97 179.93 1xn0 h ILE 381 N -0.41 0.83 -0.35 2.04 6.09 -1.40 -1.21 117.51 123.12 1xn0 h ILE 381 Ca -0.02 -0.47 -0.14 0.00 -1.37 0.00 0.00 64.86 62.86 1xn0 h ILE 381 Cb 0.32 1.27 -0.01 0.00 0.47 0.00 0.00 36.82 38.88 1xn0 h ILE 381 CO 0.03 0.12 -0.36 -0.61 -3.07 0.00 0.00 178.15 174.27 1xn0 h GLN 382 N 0.00 0.80 -0.16 2.19 4.15 -1.37 0.84 115.11 121.55 1xn0 h GLN 382 Ca -0.00 -0.40 -0.06 0.00 0.77 0.00 0.00 58.65 58.96 1xn0 h GLN 382 Cb 0.26 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.95 1xn0 h GLN 382 CO 0.02 1.03 -0.13 0.28 -1.93 0.00 0.00 178.83 178.09 1xn0 h VAL 383 N 0.66 1.33 -0.88 2.39 2.07 -1.04 -2.59 116.25 118.20 1xn0 h VAL 383 Ca 0.06 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 66.37 1xn0 h VAL 383 Cb 0.91 1.80 -0.06 0.00 -1.52 0.00 0.00 31.29 32.42 1xn0 h VAL 383 CO 0.08 0.37 0.56 -0.07 0.02 0.00 0.00 177.57 178.53 1xn0 h LEU 384 N 0.03 0.91 -0.46 2.57 3.38 -1.15 0.31 115.31 120.89 1xn0 h LEU 384 Ca 0.03 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1xn0 h LEU 384 Cb 0.65 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1xn0 h LEU 384 CO 0.03 0.60 0.24 0.03 0.09 0.00 0.00 178.44 179.44 1xn0 h ARG 385 N 1.05 0.47 -0.02 1.13 3.08 -0.84 -1.88 114.38 117.38 1xn0 h ARG 385 Ca 0.36 -0.03 -0.13 0.00 0.07 0.00 0.00 59.98 60.25 1xn0 h ARG 385 Cb 0.08 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1xn0 h ARG 385 CO -0.14 0.31 -0.61 -0.91 -1.07 0.00 0.00 179.97 177.55 1xn0 h ASN 386 N 0.49 0.08 0.06 7.04 2.35 -0.98 -2.46 115.58 122.16 1xn0 h ASN 386 Ca 0.19 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1xn0 h ASN 386 Cb 0.08 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1xn0 h ASN 386 CO -0.12 0.67 -0.03 -0.03 -1.65 0.00 0.00 177.43 176.28 1xn0 h MET 387 N 0.05 -0.07 -0.48 0.81 4.05 -0.03 0.31 114.93 119.57 1xn0 h MET 387 Ca -0.01 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.39 1xn0 h MET 387 Cb 1.09 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.88 1xn0 h MET 387 CO 0.08 0.32 0.20 0.28 0.23 0.00 0.00 176.91 178.02 1xn0 h VAL 388 N -0.47 1.18 -0.54 -5.77 2.07 -1.41 0.14 116.25 111.45 1xn0 h VAL 388 Ca -0.01 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 1xn0 h VAL 388 Cb 0.42 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1xn0 h VAL 388 CO 0.01 0.21 0.04 -0.74 0.02 0.00 0.00 177.57 177.11 1xn0 h HIS 389 N 0.68 1.00 -0.70 1.57 6.17 -1.25 0.21 115.15 122.84 1xn0 h HIS 389 Ca 0.17 -0.16 -0.06 0.00 0.71 0.00 0.00 60.37 61.02 1xn0 h HIS 389 Cb 0.13 -0.27 -0.03 0.00 2.52 0.00 0.00 27.41 29.76 1xn0 h HIS 389 CO 0.01 0.91 0.18 0.00 0.71 0.00 0.00 177.93 179.73 1xn0 h ALA 391 N 1.08 1.13 -0.33 0.00 0.00 -0.69 -0.28 119.26 120.17 1xn0 h ALA 391 Ca 0.22 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1xn0 h ALA 391 Cb 0.35 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1xn0 h ALA 391 CO -0.00 0.65 -0.10 0.22 0.00 0.00 0.00 179.25 180.02 1xn0 h ASP 392 N 1.17 0.54 -0.88 0.00 -0.00 -0.53 -2.95 116.42 113.76 1xn0 h ASP 392 Ca 0.28 -0.14 -0.58 0.00 -0.00 0.00 0.00 57.03 56.59 1xn0 h ASP 392 Cb 0.14 -0.14 -0.31 0.00 -0.00 0.00 0.00 39.33 39.01 1xn0 h ASP 392 CO -0.03 0.68 0.38 0.18 -0.00 0.00 0.00 179.24 180.45 1xn0 n LEU 393 N -4.21 6.63 -0.32 2.28 4.77 -0.66 -4.62 117.00 120.88 1xn0 n LEU 393 Ca 0.01 -4.26 0.12 0.00 -0.03 0.00 0.00 56.01 51.85 1xn0 n LEU 393 Cb 0.32 -0.79 0.22 0.00 -2.33 0.00 0.00 43.42 40.84 1xn0 n LEU 393 CO 0.41 1.54 0.49 -1.54 -1.33 0.00 0.00 177.39 176.96 1xn0 n SER 394 N -0.92 1.37 -0.23 -1.43 3.41 -0.21 -4.60 113.62 111.01 1xn0 n SER 394 Ca 0.56 -1.10 0.01 0.00 -0.26 0.00 0.00 58.87 58.08 1xn0 n SER 394 Cb 0.89 0.30 0.13 0.00 -0.26 0.00 0.00 64.21 65.27 1xn0 n SER 394 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1xn0 h ASN 395 N 1.57 0.34 0.52 4.04 -0.26 -1.83 -0.90 115.58 119.06 1xn0 h ASN 395 Ca 0.00 0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1xn0 h ASN 395 Cb 0.60 0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.89 1xn0 h ASN 395 CO 0.00 0.19 0.00 -2.65 -1.06 0.00 0.00 177.43 173.91 1xn0 n PRO 396 N -4.94 0.06 0.00 0.81 -0.02 -1.26 -2.70 135.00 126.95 1xn0 n PRO 396 Ca 0.11 0.33 0.12 0.00 -2.02 0.00 0.00 63.50 62.04 1xn0 n PRO 396 Cb 0.30 -1.62 0.22 0.00 -0.02 0.00 0.00 33.50 32.38 1xn0 n PRO 396 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1xn0 n THR 397 N -1.74 0.00 -2.13 3.45 -2.24 -0.35 -4.20 114.28 107.07 1xn0 n THR 397 Ca 0.03 -0.09 -0.27 0.00 -2.27 0.00 0.00 64.05 61.44 1xn0 n THR 397 Cb 0.17 0.55 0.11 0.00 -2.10 0.00 0.00 70.33 69.06 1xn0 n THR 397 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xn0 s LYS 398 N -2.71 1.68 0.50 -0.78 -0.14 -1.10 -4.67 119.74 112.51 1xn0 s LYS 398 Ca 0.17 -0.35 -0.23 0.00 -1.36 0.00 0.00 55.97 54.21 1xn0 s LYS 398 Cb 0.18 -2.07 -0.07 0.00 -1.68 0.00 0.00 37.83 34.19 1xn0 s LYS 398 CO 0.63 -1.64 1.22 -1.13 -0.76 0.00 0.00 175.35 173.67 1xn0 n SER 399 N -3.20 2.15 -0.32 2.83 3.41 -1.26 -4.65 113.62 112.58 1xn0 n SER 399 Ca 0.11 1.00 0.18 0.00 -0.26 0.00 0.00 58.87 59.90 1xn0 n SER 399 Cb 0.60 -1.49 0.38 0.00 -0.26 0.00 0.00 64.21 63.44 1xn0 n SER 399 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1xn0 h LEU 400 N 1.52 0.22 -1.37 1.04 5.85 -1.94 0.32 115.31 120.95 1xn0 h LEU 400 Ca -0.49 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 1xn0 h LEU 400 Cb 1.31 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.54 1xn0 h LEU 400 CO 0.57 -0.16 0.26 -0.08 -0.34 0.00 0.00 178.44 178.70 1xn0 h GLU 401 N 0.25 0.69 0.02 1.25 4.81 -2.01 -1.51 114.58 118.09 1xn0 h GLU 401 Ca 0.64 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.80 1xn0 h GLU 401 Cb 1.38 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1xn0 h GLU 401 CO -0.64 0.52 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.07 1xn0 h LEU 402 N 0.70 -0.03 -0.72 1.64 3.38 -1.30 -3.30 115.31 115.68 1xn0 h LEU 402 Ca 0.18 -0.64 0.14 0.00 0.09 0.00 0.00 57.88 57.64 1xn0 h LEU 402 Cb 0.04 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.70 1xn0 h LEU 402 CO -0.03 0.65 0.26 0.22 0.09 0.00 0.00 178.44 179.63 1xn0 h TYR 403 N -0.73 0.44 -0.28 1.13 3.20 -1.24 -1.80 116.97 117.69 1xn0 h TYR 403 Ca -0.00 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 1xn0 h TYR 403 Cb 0.67 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 1xn0 h TYR 403 CO 0.16 0.04 -0.13 0.00 -1.64 0.00 0.00 178.16 176.58 1xn0 h ARG 404 N 0.40 0.48 -0.52 1.82 3.08 -1.40 -0.49 114.38 117.75 1xn0 h ARG 404 Ca 0.39 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 60.18 1xn0 h ARG 404 Cb 0.59 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1xn0 h ARG 404 CO -0.41 0.61 -0.16 1.96 -1.07 0.00 0.00 179.97 180.91 1xn0 h GLN 405 N 0.45 1.03 -0.73 0.04 4.20 -1.44 -1.34 115.11 117.32 1xn0 h GLN 405 Ca 0.08 -0.41 -0.05 0.00 0.06 0.00 0.00 58.65 58.33 1xn0 h GLN 405 Cb 0.50 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 1xn0 h GLN 405 CO 0.03 1.10 0.24 -1.49 -0.67 0.00 0.00 178.83 178.04 1xn0 h TRP 406 N 0.90 1.15 -0.38 2.96 -0.00 -0.64 -2.44 115.95 117.50 1xn0 h TRP 406 Ca 0.13 -0.11 -0.03 0.00 -0.00 0.00 0.00 58.89 58.88 1xn0 h TRP 406 Cb 0.74 -0.34 -0.02 0.00 -0.00 0.00 0.00 29.16 29.55 1xn0 h TRP 406 CO 0.05 0.90 0.10 1.15 -0.00 0.00 0.00 178.44 180.65 1xn0 h THR 407 N 1.08 1.22 -0.92 1.49 2.02 -0.96 -1.99 112.91 114.84 1xn0 h THR 407 Ca 0.24 -0.74 0.09 0.00 0.77 0.00 0.00 66.41 66.77 1xn0 h THR 407 Cb 0.28 0.99 -0.07 0.00 -1.74 0.00 0.00 68.15 67.61 1xn0 h THR 407 CO -0.01 0.26 0.59 0.44 0.37 0.00 0.00 175.52 177.17 1xn0 h ASP 408 N 0.47 0.85 -0.11 4.18 3.32 -1.09 -1.96 116.42 122.08 1xn0 h ASP 408 Ca 0.12 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 1xn0 h ASP 408 Cb 0.29 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1xn0 h ASP 408 CO -0.00 0.50 -0.12 0.03 -1.72 0.00 0.00 179.24 177.93 1xn0 h ARG 409 N 0.94 0.28 -0.08 3.56 3.08 -1.04 -2.26 114.38 118.86 1xn0 h ARG 409 Ca 0.43 -0.15 -0.12 0.00 0.07 0.00 0.00 59.98 60.20 1xn0 h ARG 409 Cb 0.38 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1xn0 h ARG 409 CO -0.19 0.70 -0.50 0.97 -1.07 0.00 0.00 179.97 179.88 1xn0 h ILE 410 N -0.13 1.35 -0.32 2.04 6.09 -1.29 -2.03 117.51 123.23 1xn0 h ILE 410 Ca 0.02 -1.75 -0.15 0.00 -1.37 0.00 0.00 64.86 61.61 1xn0 h ILE 410 Cb 0.65 1.85 -0.01 0.00 0.47 0.00 0.00 36.82 39.78 1xn0 h ILE 410 CO 0.03 0.52 -0.40 0.24 -3.07 0.00 0.00 178.15 175.46 1xn0 h MET 411 N 0.17 0.78 -0.48 2.19 2.86 -1.36 0.94 114.93 120.02 1xn0 h MET 411 Ca 0.01 -0.41 -0.00 0.00 -2.06 0.00 0.00 59.70 57.24 1xn0 h MET 411 Cb 0.95 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 1xn0 h MET 411 CO 0.08 1.04 0.30 1.49 1.06 0.00 0.00 176.91 180.87 1xn0 h GLU 412 N 0.63 0.65 0.19 1.72 4.81 -1.31 0.10 114.58 121.38 1xn0 h GLU 412 Ca 0.05 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1xn0 h GLU 412 Cb 0.96 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1xn0 h GLU 412 CO 0.09 0.47 -0.09 1.49 -0.73 0.00 0.00 179.01 180.24 1xn0 h GLU 413 N 0.65 -0.25 -0.39 1.92 4.81 -0.88 -2.19 114.58 118.24 1xn0 h GLU 413 Ca 0.17 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.47 1xn0 h GLU 413 Cb -0.02 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 1xn0 h GLU 413 CO -0.03 -0.06 0.13 0.74 -0.73 0.00 0.00 179.01 179.06 1xn0 h PHE 414 N -0.40 0.23 -0.14 0.92 -1.00 -0.71 -2.07 116.94 113.77 1xn0 h PHE 414 Ca -0.03 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.73 1xn0 h PHE 414 Cb 0.31 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 1xn0 h PHE 414 CO -0.02 0.09 -0.12 0.74 -1.61 0.00 0.00 178.31 177.38 1xn0 h PHE 415 N 0.28 0.23 -0.29 -0.55 0.04 -0.74 -1.34 116.94 114.58 1xn0 h PHE 415 Ca 0.18 -0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.81 1xn0 h PHE 415 Cb 0.16 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 1xn0 h PHE 415 CO -0.15 0.35 -0.31 0.37 -0.60 0.00 0.00 178.31 177.97 1xn0 h GLN 416 N 0.21 0.60 -0.37 1.51 4.15 -0.83 -1.15 115.11 119.24 1xn0 h GLN 416 Ca 0.04 -0.27 -0.05 0.00 0.77 0.00 0.00 58.65 59.15 1xn0 h GLN 416 Cb 0.35 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1xn0 h GLN 416 CO 0.02 0.84 0.04 0.37 -1.93 0.00 0.00 178.83 178.17 1xn0 h GLN 417 N 0.52 0.63 -0.86 1.69 4.15 -0.70 -2.33 115.11 118.20 1xn0 h GLN 417 Ca 0.06 -0.18 0.08 0.00 0.77 0.00 0.00 58.65 59.38 1xn0 h GLN 417 Cb 0.79 -0.07 -0.07 0.00 0.21 0.00 0.00 27.48 28.35 1xn0 h GLN 417 CO 0.06 0.71 0.52 0.78 -1.93 0.00 0.00 178.83 178.98 1xn0 h GLY 418 N 0.46 1.32 1.02 2.39 0.00 -1.03 -0.12 103.07 107.11 1xn0 h GLY 418 Ca 0.11 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1xn0 h GLY 418 CO 0.01 0.21 0.20 -0.55 0.00 0.00 0.00 176.54 176.41 1xn0 h ASP 419 N 0.92 0.93 -0.77 0.19 3.32 -0.98 -0.98 116.42 119.06 1xn0 h ASP 419 Ca 0.39 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 1xn0 h ASP 419 Cb 0.26 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 1xn0 h ASP 419 CO -0.21 0.89 0.34 0.11 -1.72 0.00 0.00 179.24 178.66 1xn0 h LYS 420 N 0.92 1.13 -0.34 3.56 1.57 -0.86 -0.39 116.57 122.17 1xn0 h LYS 420 Ca 0.21 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1xn0 h LYS 420 Cb 0.30 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1xn0 h LYS 420 CO -0.01 0.90 0.13 0.93 -0.57 0.00 0.00 179.45 180.83 1xn0 h GLU 421 N 1.12 0.51 0.02 3.15 5.08 -0.61 -2.65 114.58 121.20 1xn0 h GLU 421 Ca 0.26 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1xn0 h GLU 421 Cb 0.16 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1xn0 h GLU 421 CO -0.03 0.51 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.36 1xn0 h ARG 422 N 0.39 -0.08 -1.00 2.33 2.43 -0.50 -1.92 114.38 116.04 1xn0 h ARG 422 Ca 0.11 0.01 0.20 0.00 -0.81 0.00 0.00 59.98 59.49 1xn0 h ARG 422 Cb 0.20 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.67 1xn0 h ARG 422 CO -0.01 -0.05 0.61 0.93 -1.51 0.00 0.00 179.97 179.94 1xn0 h GLU 423 N -0.08 0.66 -0.01 0.20 5.08 -1.02 -1.14 114.58 118.27 1xn0 h GLU 423 Ca 0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1xn0 h GLU 423 Cb 0.09 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1xn0 h GLU 423 CO -0.03 0.44 -0.11 0.54 -1.00 0.00 0.00 179.01 178.85 1xn0 n ARG 424 N -4.74 1.05 -1.00 2.33 1.74 -0.95 -4.94 116.66 110.15 1xn0 n ARG 424 Ca 0.24 -0.50 0.00 0.00 -0.77 0.00 0.00 57.85 56.81 1xn0 n ARG 424 Cb 0.63 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 1xn0 n ARG 424 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xn0 n GLY 425 N 1.24 0.44 3.88 -0.13 0.00 -0.43 -5.04 105.19 105.15 1xn0 n GLY 425 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1xn0 n GLY 425 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1xn0 s MET 426 N -0.29 1.93 0.29 1.61 0.23 -0.78 -5.01 119.30 117.28 1xn0 s MET 426 Ca 0.00 0.16 -0.29 0.00 -1.03 0.00 0.00 55.69 54.53 1xn0 s MET 426 Cb 0.00 -1.94 -0.09 0.00 -1.53 0.00 0.00 34.83 31.26 1xn0 s MET 426 CO 0.00 -1.63 1.09 -1.21 -2.03 0.00 0.00 175.02 171.24 1xn0 s GLU 427 N -5.53 4.62 0.06 3.16 2.02 -1.26 -4.54 118.70 117.23 1xn0 s GLU 427 Ca 0.62 1.77 -0.30 0.00 0.02 0.00 0.00 54.97 57.08 1xn0 s GLU 427 Cb -0.11 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 30.92 1xn0 s GLU 427 CO 0.50 0.20 0.97 0.42 0.02 0.00 0.00 175.26 177.37 1xn0 s ILE 428 N -1.19 4.67 -0.18 -1.63 -1.09 -1.26 -4.95 121.20 115.57 1xn0 s ILE 428 Ca 0.45 2.06 -0.29 0.00 -2.23 0.00 0.00 60.65 60.64 1xn0 s ILE 428 Cb -0.31 -4.32 -0.03 0.00 -1.58 0.00 0.00 42.46 36.22 1xn0 s ILE 428 CO 0.40 0.24 1.57 -0.44 -1.23 0.00 0.00 174.94 175.47 1xn0 s SER 429 N 0.49 6.53 0.34 3.58 0.01 -1.26 -4.88 113.70 118.52 1xn0 s SER 429 Ca 0.49 1.75 0.21 0.00 1.31 0.00 0.00 55.95 59.72 1xn0 s SER 429 Cb -0.22 -2.53 1.23 0.00 0.21 0.00 0.00 66.02 64.70 1xn0 s SER 429 CO 0.29 -1.11 1.40 -2.65 0.41 0.00 0.00 173.24 171.58 1xn0 n PRO 430 N 7.39 -0.05 -0.93 12.44 -0.02 -1.26 -2.93 135.00 149.64 1xn0 n PRO 430 Ca 0.18 1.20 -0.14 0.00 -2.02 0.00 0.00 63.50 62.72 1xn0 n PRO 430 Cb 0.45 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 1xn0 n PRO 430 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1xn0 n MET 431 N -4.90 1.75 -2.84 -0.52 2.81 -1.26 -4.40 117.12 107.76 1xn0 n MET 431 Ca 0.34 -1.21 -0.03 0.00 -1.81 0.00 0.00 57.70 54.99 1xn0 n MET 431 Cb 1.20 -1.63 -0.02 0.00 -0.71 0.00 0.00 33.22 32.06 1xn0 n MET 431 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1xn0 n ASP 433 N 1.14 -3.97 0.28 7.83 -0.08 -1.15 -4.79 116.55 115.81 1xn0 n ASP 433 Ca 0.28 1.16 0.19 0.00 -1.51 0.00 0.00 54.79 54.90 1xn0 n ASP 433 Cb 0.61 -3.46 0.92 0.00 2.34 0.00 0.00 41.12 41.53 1xn0 n ASP 433 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1xn0 h LYS 434 N 4.57 0.00 0.00 -0.67 2.10 -1.90 -1.63 116.57 119.03 1xn0 h LYS 434 Ca -0.29 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.30 1xn0 h LYS 434 Cb 0.67 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.99 1xn0 h LYS 434 CO 0.01 0.00 -0.41 0.45 -2.00 0.00 0.00 179.45 177.49 1xn0 h HIS 435 N 0.00 0.00 0.00 0.07 3.86 -1.99 -3.41 115.15 113.68 1xn0 h HIS 435 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xn0 h HIS 435 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1xn0 h HIS 435 CO 0.00 0.28 -0.90 0.25 0.86 0.00 0.00 177.93 178.42 1xn0 n THR 436 N -3.11 0.00 -2.07 2.45 -2.24 -1.09 -5.07 114.28 103.15 1xn0 n THR 436 Ca 0.02 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 1xn0 n THR 436 Cb 0.65 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.29 1xn0 n THR 436 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xn0 s ALA 437 N -1.90 3.64 -0.28 6.98 0.00 -0.63 -4.99 121.76 124.57 1xn0 s ALA 437 Ca 0.00 1.25 -0.20 0.00 0.00 0.00 0.00 51.96 53.01 1xn0 s ALA 437 Cb 0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 1xn0 s ALA 437 CO 0.00 -0.68 0.63 0.45 0.00 0.00 0.00 175.76 176.15 1xn0 s SER 438 N 0.76 6.52 0.27 0.00 0.15 -1.26 -4.92 113.70 115.23 1xn0 s SER 438 Ca 0.63 0.54 -0.03 0.00 0.70 0.00 0.00 55.95 57.78 1xn0 s SER 438 Cb -0.40 -2.33 0.36 0.00 -1.71 0.00 0.00 66.02 61.93 1xn0 s SER 438 CO 0.36 -0.43 1.90 0.58 1.20 0.00 0.00 173.24 176.85 1xn0 h VAL 439 N 5.49 1.23 -0.03 4.45 2.07 -1.97 -2.15 116.25 125.33 1xn0 h VAL 439 Ca -0.27 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1xn0 h VAL 439 Cb 1.12 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1xn0 h VAL 439 CO 0.79 0.25 -0.05 -0.33 0.02 0.00 0.00 177.57 178.25 1xn0 h GLU 440 N 1.10 0.09 -0.89 1.57 3.07 -1.92 -2.50 114.58 115.10 1xn0 h GLU 440 Ca 0.28 -0.06 0.03 0.00 -0.50 0.00 0.00 59.36 59.12 1xn0 h GLU 440 Cb 0.01 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 27.88 1xn0 h GLU 440 CO -0.05 0.60 0.58 0.87 -1.40 0.00 0.00 179.01 179.62 1xn0 h LYS 441 N -0.41 1.10 -0.83 2.33 1.57 -1.86 -2.58 116.57 115.89 1xn0 h LYS 441 Ca 0.00 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1xn0 h LYS 441 Cb 0.59 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 1xn0 h LYS 441 CO 0.01 0.73 0.43 0.77 -0.57 0.00 0.00 179.45 180.82 1xn0 h SER 442 N 1.14 1.06 -0.29 0.86 0.02 -1.30 -2.28 113.55 112.76 1xn0 h SER 442 Ca 0.35 -0.10 -0.18 0.00 -0.84 0.00 0.00 61.79 61.02 1xn0 h SER 442 Cb -0.02 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.25 1xn0 h SER 442 CO -0.11 0.87 -0.52 1.56 -1.14 0.00 0.00 176.83 177.48 1xn0 h GLN 443 N 1.17 0.88 -0.49 3.45 1.08 -1.18 -0.91 115.11 119.10 1xn0 h GLN 443 Ca 0.29 -0.54 0.01 0.00 -1.45 0.00 0.00 58.65 56.97 1xn0 h GLN 443 Cb 0.06 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 1xn0 h GLN 443 CO -0.04 1.18 0.30 0.28 -0.95 0.00 0.00 178.83 179.60 1xn0 h VAL 444 N 0.68 1.08 -0.55 -0.54 2.07 -1.39 -1.35 116.25 116.26 1xn0 h VAL 444 Ca 0.02 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1xn0 h VAL 444 Cb 1.13 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1xn0 h VAL 444 CO 0.12 0.11 0.21 1.23 0.02 0.00 0.00 177.57 179.26 1xn0 h GLY 445 N 0.61 0.86 0.85 2.17 0.00 -1.28 -0.39 103.07 105.89 1xn0 h GLY 445 Ca 0.19 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 1xn0 h GLY 445 CO -0.07 0.41 0.01 -2.75 0.00 0.00 0.00 176.54 174.14 1xn0 h PHE 446 N 0.79 0.45 -0.02 5.60 3.57 -0.82 -1.92 116.94 124.59 1xn0 h PHE 446 Ca 0.19 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1xn0 h PHE 446 Cb 0.17 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 1xn0 h PHE 446 CO 0.01 0.58 -0.00 0.82 -2.23 0.00 0.00 178.31 177.48 1xn0 h ILE 447 N 0.19 1.28 -0.63 1.41 2.04 -1.09 -1.32 117.51 119.39 1xn0 h ILE 447 Ca 0.07 -0.83 0.03 0.00 1.00 0.00 0.00 64.86 65.13 1xn0 h ILE 447 Cb 0.39 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 1xn0 h ILE 447 CO 0.01 0.22 0.39 0.44 0.00 0.00 0.00 178.15 179.21 1xn0 h ASP 448 N -0.30 0.64 0.00 1.72 3.32 -1.08 0.60 116.42 121.31 1xn0 h ASP 448 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1xn0 h ASP 448 Cb 0.36 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1xn0 h ASP 448 CO 0.00 0.45 -1.31 -1.22 -1.72 0.00 0.00 179.24 175.44 1xn0 n TYR 449 N -4.71 0.00 0.05 4.55 4.01 -0.72 -4.51 117.16 115.83 1xn0 n TYR 449 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1xn0 n TYR 449 Cb 0.08 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 38.94 1xn0 n TYR 449 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1xn0 n ILE 450 N -1.74 0.23 -0.03 -0.72 5.41 -0.77 -4.84 119.36 116.90 1xn0 n ILE 450 Ca 0.01 0.07 -0.14 0.00 1.00 0.00 0.00 62.75 63.70 1xn0 n ILE 450 Cb 0.40 -0.91 -0.10 0.00 -0.71 0.00 0.00 39.64 38.32 1xn0 n ILE 450 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1xn0 h VAL 451 N 0.00 1.48 -0.08 1.39 2.07 -1.25 -3.09 116.25 116.78 1xn0 h VAL 451 Ca 0.00 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 1xn0 h VAL 451 Cb 0.21 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1xn0 h VAL 451 CO 0.00 0.45 0.02 -0.74 0.02 0.00 0.00 177.57 177.32 1xn0 h HIS 452 N -0.43 0.14 -1.00 1.57 -0.00 -1.12 -1.11 115.15 113.20 1xn0 h HIS 452 Ca -0.01 -0.02 0.14 0.00 -0.00 0.00 0.00 60.37 60.48 1xn0 h HIS 452 Cb 0.81 -0.04 -0.09 0.00 -0.00 0.00 0.00 27.41 28.09 1xn0 h HIS 452 CO 0.15 0.31 0.62 -1.35 -0.00 0.00 0.00 177.93 177.66 1xn0 h PRO 453 N -0.07 0.91 0.14 5.26 0.11 -1.75 0.25 132.00 136.85 1xn0 h PRO 453 Ca 0.03 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1xn0 h PRO 453 Cb 0.24 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1xn0 h PRO 453 CO 0.00 0.60 -0.07 1.25 -0.21 0.00 0.00 178.00 179.57 1xn0 h LEU 454 N 0.94 -0.16 -0.83 2.35 5.85 -1.43 -2.93 115.31 119.10 1xn0 h LEU 454 Ca 0.51 -0.33 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 1xn0 h LEU 454 Cb 0.58 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1xn0 h LEU 454 CO -0.29 0.28 -0.14 -0.50 -0.34 0.00 0.00 178.44 177.44 1xn0 h TRP 455 N -0.64 0.79 -0.87 1.25 4.06 -1.07 -1.24 115.95 118.24 1xn0 h TRP 455 Ca -0.02 -0.15 0.09 0.00 2.06 0.00 0.00 58.89 60.87 1xn0 h TRP 455 Cb 0.48 -0.20 -0.07 0.00 -1.00 0.00 0.00 29.16 28.37 1xn0 h TRP 455 CO 0.06 0.82 0.52 1.49 -3.56 0.00 0.00 178.44 177.77 1xn0 h GLU 456 N 0.65 0.85 -0.27 0.49 4.81 -0.58 0.23 114.58 120.76 1xn0 h GLU 456 Ca 0.11 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.14 1xn0 h GLU 456 Cb 0.61 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1xn0 h GLU 456 CO 0.04 0.56 -0.43 1.15 -0.73 0.00 0.00 179.01 179.60 1xn0 h THR 457 N 0.88 1.29 -0.32 0.32 2.02 -1.26 -2.63 112.91 113.22 1xn0 h THR 457 Ca 0.41 -1.62 -0.09 0.00 0.77 0.00 0.00 66.41 65.89 1xn0 h THR 457 Cb 0.34 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1xn0 h THR 457 CO -0.23 0.52 -0.15 -0.25 0.37 0.00 0.00 175.52 175.77 1xn0 h TRP 458 N 0.56 0.77 -0.60 3.16 2.91 -0.52 -2.77 115.95 119.46 1xn0 h TRP 458 Ca 0.04 -0.19 0.04 0.00 1.13 0.00 0.00 58.89 59.91 1xn0 h TRP 458 Cb 0.97 -0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 29.41 1xn0 h TRP 458 CO 0.05 0.89 0.39 0.00 -1.03 0.00 0.00 178.44 178.74 1xn0 h ALA 459 N 0.77 1.71 -0.17 2.65 0.00 -0.54 -2.19 119.26 121.49 1xn0 h ALA 459 Ca 0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1xn0 h ALA 459 Cb 0.68 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1xn0 h ALA 459 CO 0.05 0.21 -0.38 -0.44 0.00 0.00 0.00 179.25 178.69 1xn0 h ASP 460 N 0.67 0.40 -0.15 0.00 5.19 -1.24 -0.61 116.42 120.69 1xn0 h ASP 460 Ca 0.24 -0.16 -0.19 0.00 -0.62 0.00 0.00 57.03 56.30 1xn0 h ASP 460 Cb 0.13 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1xn0 h ASP 460 CO -0.07 0.75 -0.63 0.25 -3.12 0.00 0.00 179.24 176.42 1xn0 h LEU 461 N 0.32 0.87 -2.86 1.55 5.85 -1.14 -3.28 115.31 116.62 1xn0 h LEU 461 Ca 0.03 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1xn0 h LEU 461 Cb 0.82 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1xn0 h LEU 461 CO 0.07 1.28 0.00 1.33 -0.34 0.00 0.00 178.44 180.78 1xn0 n VAL 462 N -3.96 1.08 -1.49 1.05 0.24 -0.96 -5.01 118.33 109.28 1xn0 n VAL 462 Ca -0.05 -1.03 -0.53 0.00 -2.04 0.00 0.00 64.34 60.69 1xn0 n VAL 462 Cb 0.66 0.46 -0.05 0.00 -1.47 0.00 0.00 33.84 33.44 1xn0 n VAL 462 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1xn0 n GLN 463 N 0.98 0.30 -0.65 7.34 7.27 -0.24 -2.22 117.38 130.16 1xn0 n GLN 463 Ca 0.18 0.11 0.08 0.00 0.07 0.00 0.00 57.00 57.44 1xn0 n GLN 463 Cb 0.54 -1.43 0.35 0.00 2.41 0.00 0.00 30.24 32.11 1xn0 n GLN 463 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1xn0 n PRO 464 N 1.39 3.86 -0.13 3.69 -0.04 -1.26 -4.96 135.00 137.55 1xn0 n PRO 464 Ca 0.18 -2.79 0.15 0.00 -0.04 0.00 0.00 63.50 61.00 1xn0 n PRO 464 Cb 0.18 -1.95 0.53 0.00 -0.04 0.00 0.00 33.50 32.21 1xn0 n PRO 464 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xn0 h ASP 465 N 3.90 0.34 -0.47 3.54 3.32 -1.75 -2.77 116.42 122.51 1xn0 h ASP 465 Ca 0.00 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1xn0 h ASP 465 Cb 1.52 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 41.01 1xn0 h ASP 465 CO 0.28 0.18 0.00 0.00 -1.72 0.00 0.00 179.24 177.98 1xn0 n ALA 466 N -2.54 3.65 -0.09 3.45 0.00 -1.26 -4.51 120.51 119.22 1xn0 n ALA 466 Ca 0.13 -1.58 -0.11 0.00 0.00 0.00 0.00 53.44 51.88 1xn0 n ALA 466 Cb 0.51 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.81 1xn0 n ALA 466 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1xn0 h GLN 467 N 3.29 0.48 -0.78 0.00 5.75 -1.85 -1.96 115.11 120.03 1xn0 h GLN 467 Ca 0.00 -0.17 0.04 0.00 -0.15 0.00 0.00 58.65 58.37 1xn0 h GLN 467 Cb 1.73 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 30.19 1xn0 h GLN 467 CO 0.41 0.68 0.49 -0.44 -2.65 0.00 0.00 178.83 177.31 1xn0 h ASP 468 N 0.23 0.78 -0.58 -0.69 3.45 -1.85 -0.07 116.42 117.69 1xn0 h ASP 468 Ca 0.07 0.01 0.02 0.00 0.43 0.00 0.00 57.03 57.55 1xn0 h ASP 468 Cb 0.49 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 39.06 1xn0 h ASP 468 CO 0.02 0.52 0.37 0.40 -1.57 0.00 0.00 179.24 178.98 1xn0 h ILE 469 N 0.92 1.10 -0.37 0.35 2.04 -1.85 -1.49 117.51 118.21 1xn0 h ILE 469 Ca 0.33 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 1xn0 h ILE 469 Cb 0.08 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1xn0 h ILE 469 CO -0.14 0.13 -0.08 0.25 0.00 0.00 0.00 178.15 178.31 1xn0 h LEU 470 N 0.73 0.61 -0.42 1.44 5.85 -0.52 -2.33 115.31 120.67 1xn0 h LEU 470 Ca 0.22 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1xn0 h LEU 470 Cb -0.02 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1xn0 h LEU 470 CO -0.08 0.74 -0.09 0.44 -0.34 0.00 0.00 178.44 179.11 1xn0 h ASP 471 N 0.58 0.81 -0.60 1.25 3.32 -0.48 -2.74 116.42 118.56 1xn0 h ASP 471 Ca 0.11 -0.36 -0.06 0.00 0.02 0.00 0.00 57.03 56.74 1xn0 h ASP 471 Cb 0.50 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1xn0 h ASP 471 CO 0.03 0.98 0.16 0.74 -1.72 0.00 0.00 179.24 179.43 1xn0 h THR 472 N 0.63 1.25 -0.90 0.35 2.02 -1.16 -1.92 112.91 113.18 1xn0 h THR 472 Ca 0.11 -0.90 0.01 0.00 0.77 0.00 0.00 66.41 66.40 1xn0 h THR 472 Cb 0.62 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 1xn0 h THR 472 CO 0.04 0.34 0.59 0.25 0.37 0.00 0.00 175.52 177.12 1xn0 h LEU 473 N 0.95 1.03 -0.05 2.58 5.85 -1.33 0.21 115.31 124.55 1xn0 h LEU 473 Ca 0.20 -0.03 -0.19 0.00 0.84 0.00 0.00 57.88 58.71 1xn0 h LEU 473 Cb 0.33 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.11 1xn0 h LEU 473 CO -0.00 0.75 -0.70 -0.33 -0.34 0.00 0.00 178.44 177.82 1xn0 h GLU 474 N 1.22 0.56 -0.74 1.25 5.08 -1.28 -0.67 114.58 120.00 1xn0 h GLU 474 Ca 0.33 -0.54 0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1xn0 h GLU 474 Cb -0.14 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1xn0 h GLU 474 CO -0.07 1.16 0.48 -0.44 -1.00 0.00 0.00 179.01 179.14 1xn0 h ASP 475 N 0.16 0.82 -0.60 1.42 3.32 -1.09 -1.48 116.42 118.97 1xn0 h ASP 475 Ca -0.07 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 1xn0 h ASP 475 Cb 1.37 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 1xn0 h ASP 475 CO 0.14 0.58 0.19 0.78 -1.72 0.00 0.00 179.24 179.21 1xn0 h ASN 476 N 0.97 0.88 -0.65 6.45 2.35 -0.53 -0.92 115.58 124.13 1xn0 h ASN 476 Ca 0.28 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1xn0 h ASN 476 Cb -0.07 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.04 1xn0 h ASN 476 CO -0.08 0.86 0.38 -0.09 -1.65 0.00 0.00 177.43 176.85 1xn0 h ARG 477 N 0.86 0.89 -0.03 0.81 1.12 -0.84 -2.27 114.38 114.92 1xn0 h ARG 477 Ca 0.19 -0.09 -0.09 0.00 -1.11 0.00 0.00 59.98 58.89 1xn0 h ARG 477 Cb 0.29 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 30.06 1xn0 h ARG 477 CO -0.01 0.64 -0.41 -0.91 -3.11 0.00 0.00 179.97 176.18 1xn0 h ASN 478 N 0.88 0.07 -0.28 -3.80 2.35 -0.96 -2.45 115.58 111.39 1xn0 h ASN 478 Ca 0.23 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.90 1xn0 h ASN 478 Cb -0.01 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1xn0 h ASN 478 CO -0.04 0.47 -0.04 -0.25 -1.65 0.00 0.00 177.43 175.93 1xn0 h TRP 479 N 0.06 0.58 -0.22 1.19 7.01 -0.62 -1.37 115.95 122.58 1xn0 h TRP 479 Ca 0.00 -0.11 -0.11 0.00 2.11 0.00 0.00 58.89 60.78 1xn0 h TRP 479 Cb 0.75 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.66 1xn0 h TRP 479 CO 0.00 0.70 -0.33 1.88 -2.79 0.00 0.00 178.44 177.90 1xn0 h TYR 480 N 0.29 0.52 -0.41 2.65 0.05 -1.35 -2.20 116.97 116.52 1xn0 h TYR 480 Ca 0.08 -0.13 -0.09 0.00 0.05 0.00 0.00 58.73 58.64 1xn0 h TYR 480 Cb 0.49 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.10 1xn0 h TYR 480 CO 0.04 0.74 -0.10 0.37 -1.05 0.00 0.00 178.16 178.16 1xn0 h GLN 481 N 0.39 0.72 0.00 4.88 5.75 -1.37 -2.12 115.11 123.37 1xn0 h GLN 481 Ca 0.05 -0.23 0.00 0.00 -0.15 0.00 0.00 58.65 58.32 1xn0 h GLN 481 Cb 0.78 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.26 1xn0 h GLN 481 CO 0.06 0.81 0.00 0.66 -2.65 0.00 0.00 178.83 177.71 1xn0 h SER 482 N 0.66 0.00 0.73 -0.69 4.64 -0.78 -2.88 113.55 115.24 1xn0 h SER 482 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1xn0 h SER 482 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1xn0 h SER 482 CO 0.03 0.00 -0.09 0.23 -0.87 0.00 0.00 176.83 176.14 1xn0 n MET 483 N -2.73 0.21 -3.19 4.77 2.81 -0.80 -4.78 117.12 113.41 1xn0 n MET 483 Ca 0.02 -0.04 -0.39 0.00 -1.81 0.00 0.00 57.70 55.48 1xn0 n MET 483 Cb 0.33 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.28 1xn0 n MET 483 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1xn0 s ILE 484 N -2.82 5.09 -2.00 2.02 1.01 -1.09 -5.02 121.20 118.39 1xn0 s ILE 484 Ca 0.19 1.11 0.26 0.00 0.00 0.00 0.00 60.65 62.21 1xn0 s ILE 484 Cb 0.19 -3.90 0.75 0.00 0.01 0.00 0.00 42.46 39.51 1xn0 s ILE 484 CO 0.53 0.21 1.92 -2.65 0.00 0.00 0.00 174.94 174.95