#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdu n GLU 199 N 0.00 0.37 0.03 1.43 0.00 -1.26 -4.82 120.64 116.39 3kdu n GLU 199 Ca 0.00 -0.67 0.12 0.00 0.00 0.00 0.00 57.16 56.61 3kdu n GLU 199 Cb 0.00 -0.57 0.12 0.00 0.00 0.00 0.00 31.44 30.99 3kdu n GLU 199 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3kdu n THR 200 N -0.07 0.20 0.10 6.31 -2.24 -1.26 -4.02 114.28 113.30 3kdu n THR 200 Ca 0.00 -0.20 -0.03 0.00 -2.27 0.00 0.00 64.05 61.56 3kdu n THR 200 Cb 0.48 0.11 0.20 0.00 -2.10 0.00 0.00 70.33 69.02 3kdu n THR 200 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kdu h ALA 201 N 2.64 1.05 0.00 6.98 0.00 -1.99 -2.16 119.26 125.78 3kdu h ALA 201 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 3kdu h ALA 201 Cb 0.68 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3kdu h ALA 201 CO 0.00 0.63 -0.09 -0.44 0.00 0.00 0.00 179.25 179.35 3kdu h ASP 202 N 0.17 0.00 0.09 0.00 3.32 -1.95 -1.66 116.42 116.39 3kdu h ASP 202 Ca 0.01 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.73 3kdu h ASP 202 Cb 0.90 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 3kdu h ASP 202 CO 0.07 0.09 -1.80 0.18 -1.72 0.00 0.00 179.24 176.06 3kdu n LEU 203 N -3.22 2.41 0.27 1.55 4.77 -1.13 -2.80 117.00 118.85 3kdu n LEU 203 Ca 0.01 0.27 0.10 0.00 -0.03 0.00 0.00 56.01 56.36 3kdu n LEU 203 Cb 0.37 -1.07 0.72 0.00 -2.33 0.00 0.00 43.42 41.10 3kdu n LEU 203 CO 0.30 0.69 1.04 0.50 -1.33 0.00 0.00 177.39 178.59 3kdu h LYS 204 N -0.25 0.00 -0.02 3.23 3.64 -1.39 0.20 116.57 121.97 3kdu h LYS 204 Ca -0.41 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.95 3kdu h LYS 204 Cb 1.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.64 3kdu h LYS 204 CO -0.01 0.06 -0.08 1.03 -2.27 0.00 0.00 179.45 178.18 3kdu h SER 205 N 0.00 0.11 -0.47 4.20 0.87 -1.43 -2.93 113.55 113.91 3kdu h SER 205 Ca -0.00 -0.63 0.03 0.00 -1.23 0.00 0.00 61.79 59.96 3kdu h SER 205 Cb 0.11 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 3kdu h SER 205 CO 0.01 0.72 0.31 0.25 -0.53 0.00 0.00 176.83 177.59 3kdu h LEU 206 N -0.49 0.46 0.10 2.23 5.85 -1.25 -1.73 115.31 120.48 3kdu h LEU 206 Ca -0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3kdu h LEU 206 Cb 0.71 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3kdu h LEU 206 CO 0.02 0.32 -0.05 0.00 -0.34 0.00 0.00 178.44 178.38 3kdu h ALA 207 N 1.73 -0.14 -0.88 1.25 0.00 -1.02 -2.12 119.26 118.08 3kdu h ALA 207 Ca 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kdu h ALA 207 Cb 0.09 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3kdu h ALA 207 CO -0.05 -0.49 0.54 1.57 0.00 0.00 0.00 179.25 180.82 3kdu h LYS 208 N -0.32 1.18 -0.73 0.00 5.09 -1.30 -0.64 116.57 119.86 3kdu h LYS 208 Ca -0.01 -0.10 -0.03 0.00 0.09 0.00 0.00 60.65 60.60 3kdu h LYS 208 Cb 0.26 -0.25 -0.03 0.00 0.10 0.00 0.00 32.23 32.31 3kdu h LYS 208 CO 0.02 0.82 0.33 -0.09 -2.09 0.00 0.00 179.45 178.44 3kdu h ARG 209 N 1.20 1.06 -0.30 0.07 2.43 -1.28 0.27 114.38 117.84 3kdu h ARG 209 Ca 0.32 -0.17 -0.12 0.00 -0.81 0.00 0.00 59.98 59.19 3kdu h ARG 209 Cb -0.07 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.29 3kdu h ARG 209 CO -0.06 0.85 -0.30 0.82 -1.51 0.00 0.00 179.97 179.77 3kdu h ILE 210 N 1.03 1.30 -0.74 1.20 2.04 -1.13 -2.34 117.51 118.88 3kdu h ILE 210 Ca 0.25 -1.46 0.01 0.00 1.00 0.00 0.00 64.86 64.65 3kdu h ILE 210 Cb 0.15 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 3kdu h ILE 210 CO -0.03 0.47 0.49 0.22 0.00 0.00 0.00 178.15 179.30 3kdu h TYR 211 N 0.47 0.92 -0.83 1.37 3.20 -0.82 -1.64 116.97 119.64 3kdu h TYR 211 Ca 0.05 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 3kdu h TYR 211 Cb 0.87 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 3kdu h TYR 211 CO 0.07 0.57 0.41 0.93 -1.64 0.00 0.00 178.16 178.50 3kdu h GLU 212 N 0.99 1.19 -0.24 1.82 5.08 -0.42 -1.00 114.58 121.99 3kdu h GLU 212 Ca 0.27 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3kdu h GLU 212 Cb -0.10 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.92 3kdu h GLU 212 CO -0.06 0.90 -0.01 0.00 -1.00 0.00 0.00 179.01 178.84 3kdu h ALA 213 N 1.22 1.53 -0.08 3.43 0.00 -1.03 -0.91 119.26 123.42 3kdu h ALA 213 Ca 0.29 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 3kdu h ALA 213 Cb 0.10 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kdu h ALA 213 CO -0.04 0.34 -0.68 -0.92 0.00 0.00 0.00 179.25 177.95 3kdu h TYR 214 N 0.35 0.84 -0.58 0.00 3.20 -0.88 -2.18 116.97 117.72 3kdu h TYR 214 Ca 0.08 -0.40 -0.07 0.00 3.14 0.00 0.00 58.73 61.48 3kdu h TYR 214 Cb 0.26 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 3kdu h TYR 214 CO 0.01 1.21 0.07 -0.07 -1.64 0.00 0.00 178.16 177.73 3kdu h LEU 215 N 0.23 0.92 -0.74 2.82 3.38 -0.99 -2.25 115.31 118.67 3kdu h LEU 215 Ca -0.06 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.58 3kdu h LEU 215 Cb 1.33 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3kdu h LEU 215 CO 0.14 0.94 -0.30 0.50 0.09 0.00 0.00 178.44 179.81 3kdu h LYS 216 N 0.90 0.62 0.00 1.13 3.64 -1.19 -3.38 116.57 118.29 3kdu h LYS 216 Ca 0.18 -0.27 -0.20 0.00 -1.27 0.00 0.00 60.65 59.09 3kdu h LYS 216 Cb 0.43 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 3kdu h LYS 216 CO 0.01 0.85 -2.06 0.09 -2.27 0.00 0.00 179.45 176.07 3kdu n ASN 217 N -4.08 0.17 -4.40 4.20 3.02 -0.82 -4.86 115.26 108.48 3kdu n ASN 217 Ca -0.01 0.07 -0.38 0.00 -0.03 0.00 0.00 54.58 54.24 3kdu n ASN 217 Cb 0.46 1.18 -0.12 0.00 -0.61 0.00 0.00 39.78 40.69 3kdu n ASN 217 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3kdu s PHE 218 N -2.93 3.15 0.19 3.10 0.40 -0.86 -4.77 117.98 116.26 3kdu s PHE 218 Ca -0.08 -0.71 -0.11 0.00 -0.60 0.00 0.00 56.93 55.42 3kdu s PHE 218 Cb 0.09 -2.30 0.21 0.00 0.51 0.00 0.00 43.02 41.53 3kdu s PHE 218 CO 0.85 -0.49 1.74 -0.97 0.70 0.00 0.00 175.22 177.06 3kdu h ASN 219 N 8.29 0.19 -2.95 1.36 -0.00 -1.89 -3.41 115.58 117.18 3kdu h ASN 219 Ca -0.33 0.07 -0.66 0.00 -0.00 0.00 0.00 56.30 55.38 3kdu h ASN 219 Cb 1.14 0.05 -0.11 0.00 -0.00 0.00 0.00 38.32 39.41 3kdu h ASN 219 CO 0.61 0.13 -0.53 -0.32 -0.00 0.00 0.00 177.43 177.31 3kdu s MET 220 N -6.12 3.43 0.19 6.67 1.75 -1.26 -5.05 119.30 118.91 3kdu s MET 220 Ca -0.13 -0.24 0.04 0.00 -1.25 0.00 0.00 55.69 54.11 3kdu s MET 220 Cb 0.16 -3.10 -0.01 0.00 2.84 0.00 0.00 34.83 34.71 3kdu s MET 220 CO 0.74 0.67 0.18 0.27 -0.65 0.00 0.00 175.02 176.23 3kdu n ASN 221 N 2.31 -0.47 -0.09 1.11 0.23 -1.26 -5.05 115.26 112.04 3kdu n ASN 221 Ca -0.19 -2.23 -0.12 0.00 -0.53 0.00 0.00 54.58 51.52 3kdu n ASN 221 Cb 0.54 1.05 -0.04 0.00 -2.08 0.00 0.00 39.78 39.24 3kdu n ASN 221 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3kdu h LYS 222 N 0.00 0.50 -0.42 -3.83 3.64 -1.94 -1.48 116.57 113.05 3kdu h LYS 222 Ca -0.14 -0.19 0.02 0.00 -1.27 0.00 0.00 60.65 59.07 3kdu h LYS 222 Cb 0.69 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 3kdu h LYS 222 CO 0.20 0.72 0.23 0.28 -2.27 0.00 0.00 179.45 178.61 3kdu h VAL 223 N 0.24 1.02 -0.44 2.00 2.07 -1.98 0.12 116.25 119.28 3kdu h VAL 223 Ca 0.06 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3kdu h VAL 223 Cb 0.53 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3kdu h VAL 223 CO 0.03 0.09 0.24 0.11 0.02 0.00 0.00 177.57 178.05 3kdu h LYS 224 N 0.47 0.62 -0.60 1.57 1.57 -1.96 -1.60 116.57 116.64 3kdu h LYS 224 Ca 0.17 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 3kdu h LYS 224 Cb 0.04 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3kdu h LYS 224 CO -0.09 0.49 0.24 0.00 -0.57 0.00 0.00 179.45 179.51 3kdu h ALA 225 N 1.09 0.78 -0.32 3.86 0.00 -0.77 -2.31 119.26 121.59 3kdu h ALA 225 Ca 0.15 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3kdu h ALA 225 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kdu h ALA 225 CO -0.02 0.40 -0.25 0.00 0.00 0.00 0.00 179.25 179.37 3kdu h ARG 226 N 0.83 0.62 -0.39 0.00 2.47 -0.65 0.98 114.38 118.24 3kdu h ARG 226 Ca 0.20 -0.25 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 3kdu h ARG 226 Cb 0.21 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.48 3kdu h ARG 226 CO -0.02 0.82 0.19 0.28 0.56 0.00 0.00 179.97 181.80 3kdu h VAL 227 N 0.55 1.17 0.08 2.04 2.07 -1.14 -0.09 116.25 120.92 3kdu h VAL 227 Ca 0.08 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 3kdu h VAL 227 Cb 0.71 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3kdu h VAL 227 CO 0.05 0.18 -0.04 0.40 0.02 0.00 0.00 177.57 178.18 3kdu h ILE 228 N 0.49 1.11 -0.33 4.57 2.04 -1.18 0.24 117.51 124.45 3kdu h ILE 228 Ca 0.13 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 3kdu h ILE 228 Cb 0.11 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3kdu h ILE 228 CO -0.02 0.17 0.01 -0.07 0.00 0.00 0.00 178.15 178.24 3kdu h LEU 229 N -0.41 0.46 -0.10 1.44 3.38 -0.78 -2.52 115.31 116.78 3kdu h LEU 229 Ca -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kdu h LEU 229 Cb 0.35 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3kdu h LEU 229 CO 0.02 0.53 -0.10 -1.54 0.09 0.00 0.00 178.44 177.43 3kdu n SER 230 N -4.30 0.27 0.00 -0.43 3.41 -0.05 -4.94 113.62 107.58 3kdu n SER 230 Ca 0.01 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 3kdu n SER 230 Cb 0.23 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3kdu n SER 230 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kdu n GLY 231 N 1.35 0.57 1.39 5.00 0.00 -0.95 -4.97 105.19 107.58 3kdu n GLY 231 Ca 0.12 -0.82 0.06 0.00 0.00 0.00 0.00 46.02 45.38 3kdu n GLY 231 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kdu n LYS 232 N -1.78 3.70 -1.76 1.61 4.01 0.05 -5.02 118.16 118.98 3kdu n LYS 232 Ca 0.00 -3.01 -0.32 0.00 -0.51 0.00 0.00 58.31 54.47 3kdu n LYS 232 Cb 0.24 -2.04 0.04 0.00 -0.51 0.00 0.00 35.03 32.76 3kdu n LYS 232 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kdu s ALA 233 N -2.85 2.60 0.41 7.82 0.00 -1.20 -4.90 121.76 123.64 3kdu s ALA 233 Ca 0.48 0.33 0.08 0.00 0.00 0.00 0.00 51.96 52.86 3kdu s ALA 233 Cb 0.38 -3.24 0.86 0.00 0.00 0.00 0.00 23.12 21.12 3kdu s ALA 233 CO 0.12 -1.14 2.02 1.03 0.00 0.00 0.00 175.76 177.79 3kdu h SER 234 N -0.14 0.38 0.00 0.00 0.87 -1.95 -3.44 113.55 109.27 3kdu h SER 234 Ca -0.46 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 3kdu h SER 234 Cb 1.22 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 3kdu h SER 234 CO 0.56 0.34 0.00 0.59 -0.53 0.00 0.00 176.83 177.78 3kdu n ASN 235 N -4.42 0.00 -4.32 6.23 4.13 -1.26 -5.14 115.26 110.47 3kdu n ASN 235 Ca 0.01 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 56.02 3kdu n ASN 235 Cb 0.12 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.24 3kdu n ASN 235 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3kdu s ASN 236 N 0.88 2.81 0.74 6.41 -0.87 -1.26 -5.14 114.94 118.51 3kdu s ASN 236 Ca 0.00 -0.71 -0.14 0.00 -1.57 0.00 0.00 52.86 50.44 3kdu s ASN 236 Cb 0.00 -0.17 0.04 0.00 -0.02 0.00 0.00 41.25 41.11 3kdu s ASN 236 CO 0.00 0.10 1.16 -2.16 -2.57 0.00 0.00 177.10 173.63 3kdu s PRO 237 N -1.99 2.19 0.60 -0.60 0.04 -1.26 -4.96 135.00 129.02 3kdu s PRO 237 Ca 0.09 1.56 -0.18 0.00 0.04 0.00 0.00 61.00 62.52 3kdu s PRO 237 Cb -0.10 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 3kdu s PRO 237 CO 0.05 -1.76 1.17 -1.25 0.04 0.00 0.00 177.00 175.25 3kdu s PRO 238 N -4.17 2.99 -0.06 0.56 0.04 -1.26 -4.95 135.00 128.14 3kdu s PRO 238 Ca 0.70 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 63.13 3kdu s PRO 238 Cb -0.24 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 3kdu s PRO 238 CO 0.47 -1.16 1.34 0.12 0.04 0.00 0.00 177.00 177.81 3kdu s PHE 239 N -1.79 2.85 -0.30 0.56 5.36 -0.67 -4.73 117.98 119.27 3kdu s PHE 239 Ca 0.74 0.91 -0.24 0.00 -0.96 0.00 0.00 56.93 57.38 3kdu s PHE 239 Cb -0.27 -3.58 -0.00 0.00 -0.34 0.00 0.00 43.02 38.83 3kdu s PHE 239 CO 0.33 -2.10 0.79 0.08 -1.46 0.00 0.00 175.22 172.87 3kdu s VAL 240 N 2.81 4.80 -0.52 3.12 1.01 -1.26 -0.52 120.40 129.84 3kdu s VAL 240 Ca 0.60 1.23 -0.19 0.00 0.00 0.00 0.00 61.98 63.63 3kdu s VAL 240 Cb -0.27 -4.14 0.07 0.00 0.00 0.00 0.00 36.38 32.04 3kdu s VAL 240 CO 0.22 -0.23 0.61 -0.63 0.00 0.00 0.00 175.10 175.08 3kdu s ILE 241 N 2.94 4.90 0.00 2.22 1.01 0.17 -4.85 121.20 127.60 3kdu s ILE 241 Ca 0.33 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.33 3kdu s ILE 241 Cb -0.14 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 38.01 3kdu s ILE 241 CO 0.12 -0.84 0.18 0.00 0.00 0.00 0.00 174.94 174.40 3kdu n HIS 242 N 6.09 0.00 -3.84 3.97 1.44 -1.26 -1.25 115.22 120.37 3kdu n HIS 242 Ca -0.08 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.54 3kdu n HIS 242 Cb 0.45 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.57 3kdu n HIS 242 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 3kdu s ASP 243 N -0.13 0.07 0.37 4.39 1.47 -1.26 -4.64 116.67 116.93 3kdu s ASP 243 Ca 0.00 -1.12 0.04 0.00 1.18 0.00 0.00 52.55 52.65 3kdu s ASP 243 Cb 0.00 0.82 0.70 0.00 -0.34 0.00 0.00 42.92 44.09 3kdu s ASP 243 CO 0.00 -1.61 2.00 0.24 0.68 0.00 0.00 175.17 176.48 3kdu h MET 244 N 2.01 0.68 0.00 2.11 2.86 -1.99 -1.47 114.93 119.13 3kdu h MET 244 Ca -0.30 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.28 3kdu h MET 244 Cb 1.25 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.77 3kdu h MET 244 CO 0.38 0.49 -0.00 1.49 1.06 0.00 0.00 176.91 180.34 3kdu h GLU 245 N 0.69 -0.00 -0.46 1.72 4.81 -2.00 -2.32 114.58 117.02 3kdu h GLU 245 Ca 0.18 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 3kdu h GLU 245 Cb 0.01 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3kdu h GLU 245 CO -0.03 0.38 0.14 1.79 -0.73 0.00 0.00 179.01 180.55 3kdu h THR 246 N -0.38 1.19 0.11 0.32 1.35 -1.87 -1.55 112.91 112.08 3kdu h THR 246 Ca -0.00 -0.66 0.01 0.00 -0.55 0.00 0.00 66.41 65.21 3kdu h THR 246 Cb 0.38 0.69 -0.02 0.00 -1.73 0.00 0.00 68.15 67.47 3kdu h THR 246 CO 0.00 0.25 -0.17 0.25 -0.25 0.00 0.00 175.52 175.60 3kdu h LEU 247 N 0.67 -0.47 -0.50 3.87 5.85 -1.23 -0.19 115.31 123.31 3kdu h LEU 247 Ca 0.16 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.98 3kdu h LEU 247 Cb 0.21 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 3kdu h LEU 247 CO -0.01 -0.25 0.23 0.00 -0.34 0.00 0.00 178.44 178.08 3kdu h MET 249 N 0.45 -0.10 -0.90 0.00 2.86 -1.08 -2.09 114.93 114.07 3kdu h MET 249 Ca 0.23 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.90 3kdu h MET 249 Cb 0.18 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 3kdu h MET 249 CO -0.19 -0.07 0.59 0.00 1.06 0.00 0.00 176.91 178.31 3kdu h ALA 250 N 1.04 1.40 -0.58 6.32 0.00 -0.54 -1.09 119.26 125.82 3kdu h ALA 250 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3kdu h ALA 250 Cb 0.26 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3kdu h ALA 250 CO -0.25 0.53 0.29 0.93 0.00 0.00 0.00 179.25 180.75 3kdu h GLU 251 N 1.17 0.83 -0.21 0.00 5.08 -0.48 0.60 114.58 121.57 3kdu h GLU 251 Ca 0.34 -0.12 -0.19 0.00 -1.00 0.00 0.00 59.36 58.40 3kdu h GLU 251 Cb -0.06 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.04 3kdu h GLU 251 CO -0.09 0.66 -0.63 0.87 -1.00 0.00 0.00 179.01 178.82 3kdu h LYS 252 N 0.78 0.74 0.03 2.33 1.79 -1.11 -3.36 116.57 117.77 3kdu h LYS 252 Ca 0.20 -0.52 -0.37 0.00 -2.18 0.00 0.00 60.65 57.78 3kdu h LYS 252 Cb 0.10 0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 30.77 3kdu h LYS 252 CO -0.03 1.14 -2.28 0.25 -1.08 0.00 0.00 179.45 177.46 3kdu n THR 253 N -3.96 1.54 -0.08 -0.16 -2.24 -0.44 -4.72 114.28 104.22 3kdu n THR 253 Ca -0.05 -0.68 -0.08 0.00 -2.27 0.00 0.00 64.05 60.97 3kdu n THR 253 Cb 0.66 -1.21 -0.13 0.00 -2.10 0.00 0.00 70.33 67.55 3kdu n THR 253 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kdu n LEU 254 N -3.16 0.00 -4.40 3.22 4.77 0.19 -5.00 117.00 112.61 3kdu n LEU 254 Ca -0.37 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.37 3kdu n LEU 254 Cb 1.05 0.40 -0.11 0.00 -2.33 0.00 0.00 43.42 42.44 3kdu n LEU 254 CO 0.36 0.40 -0.49 0.68 -1.33 0.00 0.00 177.39 177.01 3kdu s VAL 255 N -2.42 2.17 0.00 4.08 -7.23 -1.20 -4.99 120.40 110.81 3kdu s VAL 255 Ca -0.08 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 57.96 3kdu s VAL 255 Cb 0.05 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.91 3kdu s VAL 255 CO 0.69 -0.30 0.07 0.00 -0.31 0.00 0.00 175.10 175.25 3kdu n ALA 256 N -0.04 0.00 0.00 1.32 0.00 -1.26 -4.66 120.51 115.87 3kdu n ALA 256 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3kdu n ALA 256 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3kdu n ALA 256 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3kdu n ILE 263 N -0.09 0.00 0.28 0.00 0.00 -1.26 -5.02 119.36 113.28 3kdu n ILE 263 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 62.75 62.93 3kdu n ILE 263 Cb 0.00 0.00 0.90 0.00 0.00 0.00 0.00 39.64 40.54 3kdu n ILE 263 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3kdu h GLN 264 N 0.00 0.00 0.00 9.51 1.08 -2.00 -2.41 115.11 121.30 3kdu h GLN 264 Ca 0.00 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 3kdu h GLN 264 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3kdu h GLN 264 CO 0.00 0.00 -0.41 -0.97 -0.95 0.00 0.00 178.83 176.50 3kdu h ASN 265 N 0.00 0.00 -4.34 1.46 -0.73 -2.05 -3.47 115.58 106.45 3kdu h ASN 265 Ca 0.00 0.00 -0.49 0.00 1.87 0.00 0.00 56.30 57.68 3kdu h ASN 265 Cb 0.10 0.00 0.10 0.00 0.27 0.00 0.00 38.32 38.80 3kdu h ASN 265 CO 0.00 0.41 0.36 -0.54 -0.37 0.00 0.00 177.43 177.29 3kdu s LYS 266 N -3.63 2.25 0.48 6.67 1.02 -0.91 -5.02 119.74 120.60 3kdu s LYS 266 Ca -0.00 0.57 -0.23 0.00 0.02 0.00 0.00 55.97 56.33 3kdu s LYS 266 Cb 0.11 -1.94 -0.08 0.00 -0.52 0.00 0.00 37.83 35.40 3kdu s LYS 266 CO 0.70 -1.49 1.06 -1.91 -0.92 0.00 0.00 175.35 172.79 3kdu n GLU 267 N -3.33 1.35 -0.24 1.68 2.13 -1.26 -4.74 120.64 116.23 3kdu n GLU 267 Ca 0.07 0.49 0.04 0.00 0.66 0.00 0.00 57.16 58.42 3kdu n GLU 267 Cb 0.57 -2.17 0.15 0.00 0.27 0.00 0.00 31.44 30.25 3kdu n GLU 267 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kdu h ALA 268 N 1.34 0.78 -0.95 4.31 0.00 -1.96 -0.93 119.26 121.85 3kdu h ALA 268 Ca -0.47 0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.72 3kdu h ALA 268 Cb 1.33 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 19.40 3kdu h ALA 268 CO 0.56 -0.40 0.60 0.93 0.00 0.00 0.00 179.25 180.94 3kdu h GLU 269 N 0.15 1.04 -0.20 0.00 3.07 -1.99 -1.25 114.58 115.41 3kdu h GLU 269 Ca 0.39 -0.06 -0.19 0.00 -0.50 0.00 0.00 59.36 59.00 3kdu h GLU 269 Cb 0.67 -0.24 0.01 0.00 -0.84 0.00 0.00 28.75 28.35 3kdu h GLU 269 CO -0.59 0.69 -0.62 0.28 -1.40 0.00 0.00 179.01 177.38 3kdu h VAL 270 N 1.07 1.29 -0.64 3.13 2.07 -1.57 -2.14 116.25 119.47 3kdu h VAL 270 Ca 0.42 -1.83 0.02 0.00 0.82 0.00 0.00 66.70 66.13 3kdu h VAL 270 Cb 0.22 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 3kdu h VAL 270 CO -0.19 0.58 0.41 0.03 0.02 0.00 0.00 177.57 178.43 3kdu h ARG 271 N 0.49 0.81 -0.11 1.57 3.08 -0.88 -0.71 114.38 118.63 3kdu h ARG 271 Ca -0.02 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3kdu h ARG 271 Cb 1.24 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.10 3kdu h ARG 271 CO 0.13 0.53 0.06 0.82 -1.07 0.00 0.00 179.97 180.44 3kdu h ILE 272 N 0.83 1.09 -0.61 2.04 2.04 -1.25 -2.08 117.51 119.56 3kdu h ILE 272 Ca 0.25 -0.24 0.13 0.00 1.00 0.00 0.00 64.86 65.99 3kdu h ILE 272 Cb -0.04 1.06 -0.10 0.00 -0.74 0.00 0.00 36.82 36.99 3kdu h ILE 272 CO -0.08 0.08 -0.01 0.15 0.00 0.00 0.00 178.15 178.29 3kdu h PHE 273 N 0.08 -0.07 -0.59 1.37 3.57 -1.01 0.37 116.94 120.66 3kdu h PHE 273 Ca 0.04 0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 3kdu h PHE 273 Cb 0.07 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3kdu h PHE 273 CO -0.04 -0.17 -0.01 0.45 -2.23 0.00 0.00 178.31 176.30 3kdu h HIS 274 N 0.10 1.15 -0.96 0.41 3.86 -1.02 -2.00 115.15 116.70 3kdu h HIS 274 Ca 0.32 -0.20 0.05 0.00 -1.16 0.00 0.00 60.37 59.38 3kdu h HIS 274 Cb 0.51 -0.30 -0.06 0.00 1.06 0.00 0.00 27.41 28.62 3kdu h HIS 274 CO -0.38 1.02 0.62 0.00 0.86 0.00 0.00 177.93 180.05 3kdu h GLN 277 N 0.85 0.69 -0.93 0.00 4.20 -0.98 -1.12 115.11 117.82 3kdu h GLN 277 Ca 0.17 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 3kdu h GLN 277 Cb 0.45 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 3kdu h GLN 277 CO 0.02 0.58 0.56 0.00 -0.67 0.00 0.00 178.83 179.32 3kdu h THR 279 N 1.27 1.32 -0.16 0.00 2.02 -1.02 -2.76 112.91 113.59 3kdu h THR 279 Ca 0.33 -1.25 -0.12 0.00 0.77 0.00 0.00 66.41 66.15 3kdu h THR 279 Cb -0.06 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 3kdu h THR 279 CO -0.06 0.37 -0.40 0.77 0.37 0.00 0.00 175.52 176.57 3kdu h SER 280 N 0.09 0.38 -0.47 4.18 4.64 -1.12 -1.61 113.55 119.63 3kdu h SER 280 Ca 0.04 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 3kdu h SER 280 Cb 0.65 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 3kdu h SER 280 CO 0.04 0.74 0.26 0.58 -0.87 0.00 0.00 176.83 177.58 3kdu h VAL 281 N 0.30 1.17 -0.62 0.95 2.07 -1.32 0.31 116.25 119.10 3kdu h VAL 281 Ca 0.03 -0.43 0.08 0.00 0.82 0.00 0.00 66.70 67.20 3kdu h VAL 281 Cb 0.84 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 3kdu h VAL 281 CO 0.07 0.18 0.28 -0.33 0.02 0.00 0.00 177.57 177.78 3kdu h GLU 282 N 0.62 0.48 -0.09 1.57 5.08 -1.23 -2.64 114.58 118.36 3kdu h GLU 282 Ca 0.17 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.34 3kdu h GLU 282 Cb 0.06 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3kdu h GLU 282 CO -0.03 0.32 -0.62 1.15 -1.00 0.00 0.00 179.01 178.83 3kdu h THR 283 N 0.50 1.37 -0.65 1.13 2.02 -0.80 -2.23 112.91 114.24 3kdu h THR 283 Ca 0.30 -1.99 0.00 0.00 0.77 0.00 0.00 66.41 65.50 3kdu h THR 283 Cb 0.32 1.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.68 3kdu h THR 283 CO -0.26 0.59 0.42 0.58 0.37 0.00 0.00 175.52 177.22 3kdu h VAL 284 N 0.25 1.17 -0.18 3.16 2.07 -0.82 0.15 116.25 122.06 3kdu h VAL 284 Ca -0.01 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 3kdu h VAL 284 Cb 1.15 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3kdu h VAL 284 CO 0.10 0.17 0.10 0.74 0.02 0.00 0.00 177.57 178.70 3kdu h THR 285 N 0.88 1.10 -0.77 2.57 2.02 -1.29 -1.44 112.91 115.99 3kdu h THR 285 Ca 0.24 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 67.14 3kdu h THR 285 Cb -0.08 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 3kdu h THR 285 CO -0.05 0.10 0.50 -0.33 0.37 0.00 0.00 175.52 176.11 3kdu h GLU 286 N 0.19 1.02 -0.81 6.66 5.08 -1.13 -2.55 114.58 123.04 3kdu h GLU 286 Ca 0.06 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3kdu h GLU 286 Cb 0.07 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 3kdu h GLU 286 CO -0.01 0.68 0.34 -0.07 -1.00 0.00 0.00 179.01 178.95 3kdu h LEU 287 N 1.04 1.10 -0.34 1.33 3.38 -0.82 -1.05 115.31 119.96 3kdu h LEU 287 Ca 0.28 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3kdu h LEU 287 Cb -0.11 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.34 3kdu h LEU 287 CO -0.06 0.97 0.21 0.74 0.09 0.00 0.00 178.44 180.39 3kdu h THR 288 N 1.17 1.06 -0.70 0.22 2.02 -1.00 0.12 112.91 115.81 3kdu h THR 288 Ca 0.27 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 67.23 3kdu h THR 288 Cb 0.20 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3kdu h THR 288 CO -0.02 0.08 0.14 -0.33 0.37 0.00 0.00 175.52 175.75 3kdu h GLU 289 N 0.44 1.13 -0.34 6.66 4.39 -1.28 -2.20 114.58 123.38 3kdu h GLU 289 Ca 0.13 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 3kdu h GLU 289 Cb -0.02 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 3kdu h GLU 289 CO -0.05 1.02 0.19 0.35 -1.16 0.00 0.00 179.01 179.36 3kdu h PHE 290 N 1.06 0.46 -0.40 4.33 3.57 -0.89 -2.61 116.94 122.47 3kdu h PHE 290 Ca 0.21 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.74 3kdu h PHE 290 Cb 0.41 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 3kdu h PHE 290 CO 0.03 0.36 0.17 0.00 -2.23 0.00 0.00 178.31 176.65 3kdu h ALA 291 N 1.05 0.48 -0.38 2.41 0.00 -0.56 -1.46 119.26 120.82 3kdu h ALA 291 Ca 0.12 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.15 3kdu h ALA 291 Cb 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3kdu h ALA 291 CO -0.02 -0.20 0.27 0.87 0.00 0.00 0.00 179.25 180.16 3kdu h LYS 292 N 0.35 0.10 -0.00 0.00 1.57 -1.26 0.08 116.57 117.42 3kdu h LYS 292 Ca 0.18 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3kdu h LYS 292 Cb 0.12 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3kdu h LYS 292 CO -0.15 0.06 -0.09 0.00 -0.57 0.00 0.00 179.45 178.70 3kdu n ALA 293 N -2.58 2.75 -2.63 3.86 0.00 -0.59 -4.58 120.51 116.73 3kdu n ALA 293 Ca 0.06 -0.29 -0.43 0.00 0.00 0.00 0.00 53.44 52.78 3kdu n ALA 293 Cb 0.39 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 3kdu n ALA 293 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kdu s ILE 294 N -2.37 4.51 -0.25 0.00 1.01 0.02 -4.87 121.20 119.25 3kdu s ILE 294 Ca 0.32 1.66 -0.39 0.00 0.00 0.00 0.00 60.65 62.23 3kdu s ILE 294 Cb 0.20 -4.41 -0.15 0.00 0.01 0.00 0.00 42.46 38.11 3kdu s ILE 294 CO 0.45 -0.50 1.76 -2.65 0.00 0.00 0.00 174.94 173.99 3kdu n PRO 295 N 6.89 1.30 0.00 2.79 -0.02 -1.26 -1.28 135.00 143.41 3kdu n PRO 295 Ca 0.11 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3kdu n PRO 295 Cb 0.47 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3kdu n PRO 295 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kdu n GLY 296 N 4.20 3.45 0.32 -1.23 0.00 -1.26 -4.93 105.19 105.74 3kdu n GLY 296 Ca 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 3kdu n GLY 296 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3kdu h PHE 297 N 0.00 1.08 0.00 1.61 3.57 -1.46 -2.50 116.94 119.24 3kdu h PHE 297 Ca 0.00 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.40 3kdu h PHE 297 Cb 0.00 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.42 3kdu h PHE 297 CO 0.00 0.86 0.00 0.00 -2.23 0.00 0.00 178.31 176.94 3kdu h ALA 298 N 1.22 1.00 -0.00 2.41 0.00 -1.81 -2.58 119.26 119.50 3kdu h ALA 298 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3kdu h ALA 298 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3kdu h ALA 298 CO -0.01 0.00 -0.07 0.09 0.00 0.00 0.00 179.25 179.26 3kdu n ASN 299 N -3.00 0.10 -4.77 0.00 3.02 -0.94 -4.90 115.26 104.77 3kdu n ASN 299 Ca 0.00 0.23 -0.31 0.00 -0.03 0.00 0.00 54.58 54.46 3kdu n ASN 299 Cb 0.27 -0.34 0.08 0.00 -0.61 0.00 0.00 39.78 39.18 3kdu n ASN 299 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kdu s LEU 300 N -2.89 3.12 0.21 3.41 1.43 -0.98 -4.96 118.68 118.02 3kdu s LEU 300 Ca 0.17 1.83 -0.32 0.00 -1.03 0.00 0.00 54.13 54.79 3kdu s LEU 300 Cb 0.19 -4.52 -0.14 0.00 0.03 0.00 0.00 46.19 41.74 3kdu s LEU 300 CO 0.54 -1.88 1.30 -0.67 0.23 0.00 0.00 176.35 175.87 3kdu n ASP 301 N -3.23 2.12 -0.33 2.29 2.03 -1.26 -4.81 116.55 113.36 3kdu n ASP 301 Ca 0.09 1.14 0.08 0.00 0.52 0.00 0.00 54.79 56.62 3kdu n ASP 301 Cb 0.53 -1.33 0.25 0.00 -0.72 0.00 0.00 41.12 39.84 3kdu n ASP 301 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 3kdu h LEU 302 N 3.84 0.71 -0.47 -2.67 -0.00 -1.94 -1.30 115.31 113.49 3kdu h LEU 302 Ca -0.44 0.08 -0.17 0.00 -0.00 0.00 0.00 57.88 57.34 3kdu h LEU 302 Cb 1.31 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.91 3kdu h LEU 302 CO 0.73 0.32 -0.70 0.78 -0.00 0.00 0.00 178.44 179.57 3kdu h ASN 303 N 0.77 0.39 -0.55 0.17 2.35 -2.00 -2.97 115.58 113.75 3kdu h ASN 303 Ca 0.50 -0.25 -0.08 0.00 -0.55 0.00 0.00 56.30 55.92 3kdu h ASN 303 Cb 0.64 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 3kdu h ASN 303 CO -0.33 0.97 0.06 0.44 -1.65 0.00 0.00 177.43 176.92 3kdu h ASP 304 N 0.23 0.93 -0.53 5.81 3.32 -1.63 -0.20 116.42 124.34 3kdu h ASP 304 Ca -0.02 -0.22 0.07 0.00 0.02 0.00 0.00 57.03 56.87 3kdu h ASP 304 Cb 1.26 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.50 3kdu h ASP 304 CO 0.12 0.95 0.21 1.56 -1.72 0.00 0.00 179.24 180.36 3kdu h GLN 305 N 0.91 0.40 -0.27 3.56 4.20 -1.21 0.14 115.11 122.83 3kdu h GLN 305 Ca 0.18 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.83 3kdu h GLN 305 Cb 0.45 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3kdu h GLN 305 CO 0.02 0.26 0.03 0.28 -0.67 0.00 0.00 178.83 178.75 3kdu h VAL 306 N 0.41 1.24 -0.84 -0.54 2.07 -1.32 -2.63 116.25 114.63 3kdu h VAL 306 Ca 0.26 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 3kdu h VAL 306 Cb 0.26 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 3kdu h VAL 306 CO -0.24 0.26 0.40 0.74 0.02 0.00 0.00 177.57 178.75 3kdu h THR 307 N 0.26 1.26 -0.34 2.57 2.02 -0.71 0.17 112.91 118.13 3kdu h THR 307 Ca 0.08 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 3kdu h THR 307 Cb 0.36 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 3kdu h THR 307 CO 0.01 0.31 0.16 -0.07 0.37 0.00 0.00 175.52 176.30 3kdu h LEU 308 N 1.20 0.46 -0.22 2.58 3.38 -0.68 -1.90 115.31 120.13 3kdu h LEU 308 Ca 0.29 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 3kdu h LEU 308 Cb 0.12 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kdu h LEU 308 CO -0.04 0.47 -0.24 -0.07 0.09 0.00 0.00 178.44 178.66 3kdu h LEU 309 N 0.42 0.60 -0.47 1.67 3.38 -1.24 0.19 115.31 119.85 3kdu h LEU 309 Ca 0.12 -0.48 0.09 0.00 0.09 0.00 0.00 57.88 57.70 3kdu h LEU 309 Cb 0.14 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 40.63 3kdu h LEU 309 CO -0.01 0.96 -0.23 0.50 0.09 0.00 0.00 178.44 179.75 3kdu h LYS 310 N 0.25 -0.13 0.00 1.13 3.64 -0.59 -0.54 116.57 120.33 3kdu h LYS 310 Ca 0.03 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3kdu h LYS 310 Cb 0.80 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3kdu h LYS 310 CO 0.06 -0.09 -0.43 0.66 -2.27 0.00 0.00 179.45 177.38 3kdu n TYR 311 N -5.41 0.40 -0.05 1.91 4.02 -0.72 -4.20 117.16 113.11 3kdu n TYR 311 Ca 0.03 0.12 -0.06 0.00 -0.01 0.00 0.00 57.90 57.98 3kdu n TYR 311 Cb 0.32 -0.57 -0.14 0.00 -0.02 0.00 0.00 39.34 38.92 3kdu n TYR 311 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kdu n GLY 312 N 1.39 -1.03 0.13 2.72 0.00 0.66 -4.65 105.19 104.41 3kdu n GLY 312 Ca 0.05 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 3kdu n GLY 312 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3kdu h VAL 313 N 0.00 1.09 -0.35 1.61 -1.51 -1.28 -1.70 116.25 114.10 3kdu h VAL 313 Ca -0.37 -0.19 -0.08 0.00 -1.23 0.00 0.00 66.70 64.82 3kdu h VAL 313 Cb 1.97 0.76 -0.02 0.00 -2.13 0.00 0.00 31.29 31.87 3kdu h VAL 313 CO 0.04 0.08 -0.13 1.88 -1.23 0.00 0.00 177.57 178.22 3kdu h TYR 314 N 0.32 0.67 -0.37 5.19 -1.99 -1.84 0.50 116.97 119.45 3kdu h TYR 314 Ca 0.09 -0.11 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 3kdu h TYR 314 Cb -0.00 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.54 3kdu h TYR 314 CO -0.05 0.72 0.23 0.93 -0.00 0.00 0.00 178.16 179.99 3kdu h GLU 315 N 0.56 0.50 -0.67 4.88 5.08 -1.76 -1.55 114.58 121.62 3kdu h GLU 315 Ca 0.10 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3kdu h GLU 315 Cb 0.55 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 3kdu h GLU 315 CO 0.03 0.36 0.32 0.00 -1.00 0.00 0.00 179.01 178.73 3kdu h ALA 316 N 1.11 0.87 -0.09 3.43 0.00 -0.77 -2.12 119.26 121.68 3kdu h ALA 316 Ca 0.13 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3kdu h ALA 316 Cb -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3kdu h ALA 316 CO -0.03 0.43 -0.02 0.82 0.00 0.00 0.00 179.25 180.45 3kdu h ILE 317 N 0.93 0.91 0.00 0.00 2.04 0.27 -1.31 117.51 120.35 3kdu h ILE 317 Ca 0.23 -0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.95 3kdu h ILE 317 Cb 0.12 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3kdu h ILE 317 CO -0.03 0.00 -0.68 -0.26 0.00 0.00 0.00 178.15 177.18 3kdu h PHE 318 N 0.00 0.00 0.06 1.37 0.04 -1.26 0.29 116.94 117.43 3kdu h PHE 318 Ca 0.04 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 3kdu h PHE 318 Cb 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 3kdu h PHE 318 CO -0.14 0.68 -0.03 0.00 -0.60 0.00 0.00 178.31 178.23 3kdu h ALA 319 N 1.32 -0.07 0.00 2.45 0.00 -1.26 -3.03 119.26 118.67 3kdu h ALA 319 Ca -0.01 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 3kdu h ALA 319 Cb 1.26 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3kdu h ALA 319 CO 0.09 -0.50 -0.69 0.52 0.00 0.00 0.00 179.25 178.67 3kdu h MET 320 N -0.16 0.00 -0.56 0.00 2.86 -1.04 -3.12 114.93 112.91 3kdu h MET 320 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3kdu h MET 320 Cb 0.14 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 3kdu h MET 320 CO 0.01 0.69 0.36 1.25 1.06 0.00 0.00 176.91 180.27 3kdu h LEU 321 N 0.00 0.65 -1.40 1.22 5.85 -0.44 -2.06 115.31 119.13 3kdu h LEU 321 Ca -0.01 -0.02 0.32 0.00 0.84 0.00 0.00 57.88 59.01 3kdu h LEU 321 Cb 1.24 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 42.01 3kdu h LEU 321 CO 0.09 0.48 0.73 0.28 -0.34 0.00 0.00 178.44 179.69 3kdu h SER 322 N 0.76 0.36 -0.14 1.25 0.02 -1.46 -0.54 113.55 113.79 3kdu h SER 322 Ca 0.20 0.10 0.04 0.00 -0.84 0.00 0.00 61.79 61.29 3kdu h SER 322 Cb -0.06 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3kdu h SER 322 CO -0.04 -0.01 0.12 0.28 -1.14 0.00 0.00 176.83 176.04 3kdu h SER 323 N 0.27 0.00 -0.55 3.07 0.02 -1.54 -2.09 113.55 112.73 3kdu h SER 323 Ca 0.67 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.62 3kdu h SER 323 Cb 1.89 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.43 3kdu h SER 323 CO -0.33 0.00 0.00 1.33 -1.14 0.00 0.00 176.83 176.69 3kdu n VAL 324 N -4.21 0.99 -4.73 2.27 0.24 -0.22 -4.58 118.33 108.09 3kdu n VAL 324 Ca 0.01 -0.99 -0.33 0.00 -2.04 0.00 0.00 64.34 60.98 3kdu n VAL 324 Cb 0.24 0.51 -0.12 0.00 -1.47 0.00 0.00 33.84 33.00 3kdu n VAL 324 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3kdu s MET 325 N -1.01 2.77 0.23 7.34 -1.94 -0.79 -1.31 119.30 124.60 3kdu s MET 325 Ca 0.37 -0.62 0.01 0.00 -1.71 0.00 0.00 55.69 53.74 3kdu s MET 325 Cb 0.19 -2.53 -0.00 0.00 2.01 0.00 0.00 34.83 34.50 3kdu s MET 325 CO 0.25 0.58 0.04 0.27 -0.01 0.00 0.00 175.02 176.15 3kdu n ASN 326 N 2.47 1.79 0.30 3.03 0.23 -0.20 -4.97 115.26 117.91 3kdu n ASN 326 Ca -0.18 -2.14 0.19 0.00 -0.53 0.00 0.00 54.58 51.92 3kdu n ASN 326 Cb 0.53 0.39 0.88 0.00 -2.08 0.00 0.00 39.78 39.49 3kdu n ASN 326 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 3kdu h LYS 327 N 0.00 0.00 0.00 -3.83 2.10 -2.00 -3.00 116.57 109.85 3kdu h LYS 327 Ca -0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 3kdu h LYS 327 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 3kdu h LYS 327 CO 0.30 0.02 -1.32 -0.25 -2.00 0.00 0.00 179.45 176.21 3kdu n ASP 328 N -3.16 0.56 0.00 7.07 8.00 -1.26 -4.83 116.55 122.93 3kdu n ASP 328 Ca -0.01 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.67 3kdu n ASP 328 Cb 0.22 0.96 0.00 0.00 -0.02 0.00 0.00 41.12 42.28 3kdu n ASP 328 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kdu n GLY 329 N 1.22 -0.50 3.25 0.44 0.00 -1.13 -0.79 105.19 107.68 3kdu n GLY 329 Ca -0.01 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 3kdu n GLY 329 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3kdu s MET 330 N -1.95 0.76 0.32 1.61 0.23 -0.52 -1.03 119.30 118.72 3kdu s MET 330 Ca 0.00 -0.41 -0.28 0.00 -1.03 0.00 0.00 55.69 53.97 3kdu s MET 330 Cb 0.00 0.33 -0.09 0.00 -1.53 0.00 0.00 34.83 33.54 3kdu s MET 330 CO 0.00 -0.23 1.14 -0.51 -2.03 0.00 0.00 175.02 173.39 3kdu s LEU 331 N -1.83 4.44 0.28 0.18 1.43 -0.43 -1.07 118.68 121.68 3kdu s LEU 331 Ca -0.08 2.33 0.03 0.00 -1.03 0.00 0.00 54.13 55.39 3kdu s LEU 331 Cb -0.02 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 3kdu s LEU 331 CO -0.01 -0.32 0.20 0.68 0.23 0.00 0.00 176.35 177.13 3kdu s VAL 332 N -1.24 0.07 -1.24 -1.59 -7.23 -0.25 -4.89 120.40 104.04 3kdu s VAL 332 Ca 0.48 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.60 3kdu s VAL 332 Cb -0.32 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.11 3kdu s VAL 332 CO 0.42 0.00 0.75 0.00 -0.31 0.00 0.00 175.10 175.95 3kdu n ALA 333 N -0.49 -2.19 -1.84 1.32 0.00 -1.26 -1.66 120.51 114.39 3kdu n ALA 333 Ca 0.04 -0.14 -0.17 0.00 0.00 0.00 0.00 53.44 53.17 3kdu n ALA 333 Cb 0.64 -2.91 -0.05 0.00 0.00 0.00 0.00 19.45 17.14 3kdu n ALA 333 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kdu n TYR 334 N -4.11 -0.33 -0.37 0.00 4.02 -1.26 -1.49 117.16 113.61 3kdu n TYR 334 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.66 3kdu n TYR 334 Cb 0.65 -3.13 0.00 0.00 -0.02 0.00 0.00 39.34 36.84 3kdu n TYR 334 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kdu n GLY 335 N -0.94 0.80 0.11 2.72 0.00 -0.79 -4.94 105.19 102.15 3kdu n GLY 335 Ca -0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.96 3kdu n GLY 335 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kdu n ASN 336 N 0.00 0.74 -4.32 1.61 3.02 -0.56 -4.73 115.26 111.03 3kdu n ASN 336 Ca 0.00 -0.55 -0.17 0.00 -0.03 0.00 0.00 54.58 53.83 3kdu n ASN 336 Cb 0.00 0.19 -0.10 0.00 -0.61 0.00 0.00 39.78 39.26 3kdu n ASN 336 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3kdu s GLY 337 N -2.76 1.33 -0.16 7.41 0.00 -0.66 -1.66 107.32 110.82 3kdu s GLY 337 Ca 0.17 -1.62 -0.05 0.00 0.00 0.00 0.00 44.72 43.23 3kdu s GLY 337 CO 0.61 -1.70 0.10 -0.12 0.00 0.00 0.00 173.10 172.00 3kdu s PHE 338 N -3.12 0.12 -0.15 1.90 5.36 0.33 -1.09 117.98 121.33 3kdu s PHE 338 Ca 0.21 -0.19 -0.15 0.00 -0.96 0.00 0.00 56.93 55.85 3kdu s PHE 338 Cb 0.01 -0.63 -0.05 0.00 -0.34 0.00 0.00 43.02 42.02 3kdu s PHE 338 CO 0.05 -0.49 0.35 -1.50 -1.46 0.00 0.00 175.22 172.17 3kdu s ILE 339 N 2.17 5.27 0.39 3.12 2.07 -0.23 0.42 121.20 134.40 3kdu s ILE 339 Ca 0.03 0.67 -0.24 0.00 -1.41 0.00 0.00 60.65 59.70 3kdu s ILE 339 Cb -0.16 -3.69 -0.09 0.00 0.13 0.00 0.00 42.46 38.65 3kdu s ILE 339 CO -0.09 0.37 1.02 0.42 -1.91 0.00 0.00 174.94 174.76 3kdu s THR 340 N 0.50 3.87 0.23 4.00 -4.23 -0.38 -1.44 115.64 118.19 3kdu s THR 340 Ca 0.19 1.43 -0.07 0.00 -1.18 0.00 0.00 61.69 62.06 3kdu s THR 340 Cb -0.14 -3.74 0.20 0.00 1.34 0.00 0.00 72.50 70.17 3kdu s THR 340 CO 0.06 0.01 1.88 -0.09 -0.54 0.00 0.00 174.62 175.94 3kdu h ARG 341 N 2.59 1.05 -0.12 3.99 2.43 -1.28 -2.74 114.38 120.30 3kdu h ARG 341 Ca -0.48 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 58.46 3kdu h ARG 341 Cb 1.21 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 3kdu h ARG 341 CO 0.63 0.70 -0.64 0.93 -1.51 0.00 0.00 179.97 180.07 3kdu h GLU 342 N 1.08 0.44 -0.36 0.20 4.39 -1.93 -2.06 114.58 116.35 3kdu h GLU 342 Ca 0.34 -0.32 0.04 0.00 0.34 0.00 0.00 59.36 59.76 3kdu h GLU 342 Cb -0.01 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 3kdu h GLU 342 CO -0.11 0.93 0.14 0.35 -1.16 0.00 0.00 179.01 179.17 3kdu h PHE 343 N 0.32 0.26 -0.94 4.33 3.57 -1.79 -1.07 116.94 121.62 3kdu h PHE 343 Ca -0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3kdu h PHE 343 Cb 1.19 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.82 3kdu h PHE 343 CO 0.04 0.12 0.59 -0.07 -2.23 0.00 0.00 178.31 176.76 3kdu h LEU 344 N 0.31 1.11 -1.64 0.59 3.38 -1.33 -2.07 115.31 115.65 3kdu h LEU 344 Ca 0.16 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kdu h LEU 344 Cb 0.12 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3kdu h LEU 344 CO -0.15 0.83 0.00 0.11 0.09 0.00 0.00 178.44 179.32 3kdu h LYS 345 N 1.29 0.00 -0.01 1.13 1.57 -0.97 -2.93 116.57 116.64 3kdu h LYS 345 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3kdu h LYS 345 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3kdu h LYS 345 CO -0.07 0.00 -0.15 -1.13 -0.57 0.00 0.00 179.45 177.53 3kdu n SER 346 N -3.05 0.71 -4.76 0.86 3.41 -0.44 -4.85 113.62 105.50 3kdu n SER 346 Ca 0.00 -0.75 -0.29 0.00 -0.26 0.00 0.00 58.87 57.57 3kdu n SER 346 Cb 0.27 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.34 3kdu n SER 346 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3kdu s LEU 347 N -2.44 2.27 0.51 1.04 1.43 -1.11 -5.03 118.68 115.36 3kdu s LEU 347 Ca 0.28 1.27 -0.17 0.00 -1.03 0.00 0.00 54.13 54.48 3kdu s LEU 347 Cb 0.20 -3.72 -0.08 0.00 0.03 0.00 0.00 46.19 42.62 3kdu s LEU 347 CO 0.48 -2.40 0.99 0.00 0.23 0.00 0.00 176.35 175.65 3kdu s ARG 348 N -5.10 3.91 0.51 1.70 1.70 -1.26 -4.31 118.95 116.09 3kdu s ARG 348 Ca 0.63 1.03 -0.23 0.00 -0.47 0.00 0.00 55.73 56.69 3kdu s ARG 348 Cb -0.16 -2.13 -0.06 0.00 -0.57 0.00 0.00 34.95 32.03 3kdu s ARG 348 CO 0.55 -0.31 1.33 0.15 -1.08 0.00 0.00 175.30 175.94 3kdu s LYS 349 N -3.91 3.38 0.00 3.89 1.02 -1.26 -1.12 119.74 121.74 3kdu s LYS 349 Ca 0.60 2.18 0.18 0.00 0.02 0.00 0.00 55.97 58.95 3kdu s LYS 349 Cb -0.11 -2.37 0.68 0.00 -0.52 0.00 0.00 37.83 35.51 3kdu s LYS 349 CO 0.29 -0.98 1.49 -0.35 -0.92 0.00 0.00 175.35 174.88 3kdu n PRO 350 N -0.74 1.63 0.14 -1.68 -0.04 -1.26 -4.90 135.00 128.15 3kdu n PRO 350 Ca 0.09 -0.95 0.01 0.00 -0.04 0.00 0.00 63.50 62.61 3kdu n PRO 350 Cb 0.45 -1.34 0.34 0.00 -0.04 0.00 0.00 33.50 32.90 3kdu n PRO 350 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3kdu h PHE 351 N 1.83 0.16 0.00 0.54 -1.00 -1.46 -2.19 116.94 114.81 3kdu h PHE 351 Ca 0.00 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.75 3kdu h PHE 351 Cb 0.40 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.92 3kdu h PHE 351 CO 0.11 0.43 0.00 0.00 -1.61 0.00 0.00 178.31 177.24 3kdu n ASP 353 N -1.53 0.71 0.17 0.00 10.43 -0.82 -4.55 116.55 120.95 3kdu n ASP 353 Ca 0.04 -0.57 -0.11 0.00 2.57 0.00 0.00 54.79 56.72 3kdu n ASP 353 Cb 0.20 0.97 -0.06 0.00 1.84 0.00 0.00 41.12 44.07 3kdu n ASP 353 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 3kdu h ILE 354 N 0.00 0.37 0.00 0.53 1.08 -1.62 -3.36 117.51 114.51 3kdu h ILE 354 Ca 0.00 -0.70 -0.10 0.00 -0.39 0.00 0.00 64.86 63.66 3kdu h ILE 354 Cb 0.62 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.94 3kdu h ILE 354 CO 0.00 0.08 -0.56 0.24 -0.69 0.00 0.00 178.15 177.22 3kdu h MET 355 N -1.01 0.00 -0.49 2.37 2.86 -1.83 -3.38 114.93 113.46 3kdu h MET 355 Ca -0.05 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.65 3kdu h MET 355 Cb 0.51 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.11 3kdu h MET 355 CO 0.08 0.45 0.19 1.49 1.06 0.00 0.00 176.91 180.18 3kdu h GLU 356 N 0.00 0.37 -0.06 1.72 4.57 -1.81 0.94 114.58 120.31 3kdu h GLU 356 Ca -0.02 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3kdu h GLU 356 Cb 1.37 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.88 3kdu h GLU 356 CO 0.06 0.24 0.06 -1.35 -1.18 0.00 0.00 179.01 176.84 3kdu h PRO 357 N 0.38 0.00 -0.08 0.92 0.11 -1.76 -0.48 132.00 131.09 3kdu h PRO 357 Ca 0.23 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.10 3kdu h PRO 357 Cb 0.22 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.35 3kdu h PRO 357 CO -0.22 0.00 -0.91 0.87 -0.21 0.00 0.00 178.00 177.53 3kdu h LYS 358 N 0.00 0.73 -0.80 1.05 6.56 -1.06 -2.11 116.57 120.94 3kdu h LYS 358 Ca 0.03 -0.69 0.00 0.00 -1.06 0.00 0.00 60.65 58.94 3kdu h LYS 358 Cb 0.15 0.17 -0.04 0.00 -0.57 0.00 0.00 32.23 31.94 3kdu h LYS 358 CO -0.00 1.28 0.52 0.74 -2.06 0.00 0.00 179.45 179.93 3kdu h PHE 359 N 0.46 1.02 -0.51 -1.35 0.04 -0.70 0.51 116.94 116.41 3kdu h PHE 359 Ca -0.09 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.70 3kdu h PHE 359 Cb 1.55 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 39.33 3kdu h PHE 359 CO 0.09 0.65 0.33 -0.44 -0.60 0.00 0.00 178.31 178.35 3kdu h ASP 360 N 1.09 0.59 -0.09 2.17 3.45 -1.03 -1.83 116.42 120.78 3kdu h ASP 360 Ca 0.29 -0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.72 3kdu h ASP 360 Cb -0.10 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 38.52 3kdu h ASP 360 CO -0.06 0.44 0.03 0.15 -1.57 0.00 0.00 179.24 178.23 3kdu h PHE 361 N 0.69 0.13 -0.98 4.55 3.57 -1.22 -3.21 116.94 120.48 3kdu h PHE 361 Ca 0.19 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.74 3kdu h PHE 361 Cb -0.06 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.57 3kdu h PHE 361 CO -0.04 0.26 0.63 0.00 -2.23 0.00 0.00 178.31 176.94 3kdu h ALA 362 N 0.86 1.43 -0.48 2.41 0.00 -0.73 0.11 119.26 122.86 3kdu h ALA 362 Ca 0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3kdu h ALA 362 Cb 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3kdu h ALA 362 CO -0.00 0.43 0.09 0.52 0.00 0.00 0.00 179.25 180.29 3kdu h MET 363 N 1.15 0.79 -0.28 0.00 2.86 -1.35 0.52 114.93 118.60 3kdu h MET 363 Ca 0.42 -0.20 -0.06 0.00 -2.06 0.00 0.00 59.70 57.79 3kdu h MET 363 Cb 0.16 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3kdu h MET 363 CO -0.16 0.78 -0.06 0.87 1.06 0.00 0.00 176.91 179.40 3kdu h LYS 364 N 0.66 0.54 -0.74 1.72 1.57 -1.49 -2.29 116.57 116.54 3kdu h LYS 364 Ca 0.15 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3kdu h LYS 364 Cb 0.37 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 3kdu h LYS 364 CO 0.01 0.74 0.47 0.35 -0.57 0.00 0.00 179.45 180.45 3kdu h PHE 365 N 0.30 0.96 0.00 -1.35 3.57 -0.57 -2.81 116.94 117.04 3kdu h PHE 365 Ca 0.07 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 3kdu h PHE 365 Cb 0.54 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3kdu h PHE 365 CO 0.05 0.62 -0.22 -0.91 -2.23 0.00 0.00 178.31 175.62 3kdu h ASN 366 N 1.01 0.00 0.12 0.41 2.35 0.09 -2.45 115.58 117.10 3kdu h ASN 366 Ca 0.27 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.02 3kdu h ASN 366 Cb -0.08 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 3kdu h ASN 366 CO -0.05 0.22 -0.01 0.00 -1.65 0.00 0.00 177.43 175.94 3kdu h ALA 367 N 1.78 1.13 0.00 -0.83 0.00 -1.13 -1.90 119.26 118.30 3kdu h ALA 367 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kdu h ALA 367 Cb 0.73 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3kdu h ALA 367 CO 0.03 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.57 3kdu n LEU 368 N -3.28 0.57 -3.92 0.00 4.77 -0.92 -4.94 117.00 109.29 3kdu n LEU 368 Ca -0.03 0.58 -0.25 0.00 -0.03 0.00 0.00 56.01 56.28 3kdu n LEU 368 Cb 0.10 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 40.76 3kdu n LEU 368 CO 0.23 -0.24 -0.19 -0.62 -1.33 0.00 0.00 177.39 175.24 3kdu n GLU 369 N -2.06 -3.63 -2.41 3.23 1.02 -0.72 -4.97 120.64 111.11 3kdu n GLU 369 Ca 0.05 0.45 -0.34 0.00 -0.02 0.00 0.00 57.16 57.29 3kdu n GLU 369 Cb 0.35 -4.68 -0.02 0.00 -0.02 0.00 0.00 31.44 27.07 3kdu n GLU 369 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kdu s LEU 370 N -6.93 3.79 0.57 -4.62 1.43 -1.26 -5.08 118.68 106.57 3kdu s LEU 370 Ca 0.04 2.01 0.08 0.00 -1.03 0.00 0.00 54.13 55.22 3kdu s LEU 370 Cb -0.02 -4.57 0.07 0.00 0.03 0.00 0.00 46.19 41.70 3kdu s LEU 370 CO 0.87 -0.96 0.61 1.51 0.23 0.00 0.00 176.35 178.62 3kdu s ASP 371 N -1.96 4.84 0.35 2.29 1.47 -1.26 -4.95 116.67 117.44 3kdu s ASP 371 Ca 0.69 -1.08 0.03 0.00 1.18 0.00 0.00 52.55 53.36 3kdu s ASP 371 Cb -0.19 0.43 0.65 0.00 -0.34 0.00 0.00 42.92 43.48 3kdu s ASP 371 CO 0.23 -1.27 2.01 0.44 0.68 0.00 0.00 175.17 177.27 3kdu h ASP 372 N 0.43 0.71 -0.68 2.11 3.32 -1.98 -0.96 116.42 119.37 3kdu h ASP 372 Ca -0.33 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 56.73 3kdu h ASP 372 Cb 1.30 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 3kdu h ASP 372 CO 0.49 0.51 0.45 0.77 -1.72 0.00 0.00 179.24 179.74 3kdu h SER 373 N 0.83 0.73 -0.03 6.45 4.64 -1.96 0.05 113.55 124.26 3kdu h SER 373 Ca 0.22 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.49 3kdu h SER 373 Cb -0.09 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.83 3kdu h SER 373 CO -0.05 0.51 -0.14 0.44 -0.87 0.00 0.00 176.83 176.72 3kdu h ASP 374 N 0.85 0.18 -0.60 4.97 3.32 -1.65 -3.30 116.42 120.20 3kdu h ASP 374 Ca 0.26 -0.65 -0.03 0.00 0.02 0.00 0.00 57.03 56.63 3kdu h ASP 374 Cb 0.00 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3kdu h ASP 374 CO -0.07 0.80 0.26 0.40 -1.72 0.00 0.00 179.24 178.91 3kdu h ILE 375 N -0.42 1.22 -0.73 0.35 2.04 -1.02 -1.73 117.51 117.22 3kdu h ILE 375 Ca -0.01 -0.68 0.05 0.00 1.00 0.00 0.00 64.86 65.22 3kdu h ILE 375 Cb 0.79 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 3kdu h ILE 375 CO 0.03 0.27 0.43 0.77 0.00 0.00 0.00 178.15 179.66 3kdu h SER 376 N 0.90 0.68 -0.09 1.72 4.64 -1.09 0.08 113.55 120.40 3kdu h SER 376 Ca 0.21 0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.36 3kdu h SER 376 Cb 0.17 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3kdu h SER 376 CO -0.02 0.45 -0.64 -0.07 -0.87 0.00 0.00 176.83 175.68 3kdu h LEU 377 N 0.81 0.81 -0.29 5.97 3.38 -1.55 -2.04 115.31 122.40 3kdu h LEU 377 Ca 0.31 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3kdu h LEU 377 Cb 0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3kdu h LEU 377 CO -0.15 1.24 0.18 0.15 0.09 0.00 0.00 178.44 179.95 3kdu h PHE 378 N 0.52 0.39 -0.73 1.13 3.57 -0.83 -0.75 116.94 120.23 3kdu h PHE 378 Ca -0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3kdu h PHE 378 Cb 1.24 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.81 3kdu h PHE 378 CO 0.07 0.28 0.38 0.28 -2.23 0.00 0.00 178.31 177.09 3kdu h VAL 379 N 0.38 1.23 -0.80 1.41 2.07 -1.01 -0.15 116.25 119.37 3kdu h VAL 379 Ca 0.11 -0.59 0.05 0.00 0.82 0.00 0.00 66.70 67.08 3kdu h VAL 379 Cb 0.01 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 30.00 3kdu h VAL 379 CO -0.02 0.26 0.49 0.00 0.02 0.00 0.00 177.57 178.32 3kdu h ALA 380 N 1.19 1.08 -0.46 1.67 0.00 -1.12 -2.01 119.26 119.61 3kdu h ALA 380 Ca 0.26 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 3kdu h ALA 380 Cb 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3kdu h ALA 380 CO -0.04 0.24 -0.14 0.00 0.00 0.00 0.00 179.25 179.32 3kdu h ALA 381 N 1.37 0.88 -0.30 0.00 0.00 -0.63 -2.20 119.26 118.38 3kdu h ALA 381 Ca 0.34 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3kdu h ALA 381 Cb 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3kdu h ALA 381 CO -0.15 0.64 0.16 0.82 0.00 0.00 0.00 179.25 180.72 3kdu h ILE 382 N 0.78 1.01 -0.21 0.00 2.04 -0.67 -3.24 117.51 117.21 3kdu h ILE 382 Ca 0.12 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 3kdu h ILE 382 Cb 0.66 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3kdu h ILE 382 CO 0.05 0.06 -0.11 0.40 0.00 0.00 0.00 178.15 178.55 3kdu h ILE 383 N 0.34 1.31 -2.01 -0.67 2.04 -1.27 -3.36 117.51 113.89 3kdu h ILE 383 Ca 0.12 -1.18 -0.76 0.00 1.00 0.00 0.00 64.86 64.04 3kdu h ILE 383 Cb 0.02 1.63 -0.19 0.00 -0.74 0.00 0.00 36.82 37.54 3kdu h ILE 383 CO -0.07 0.36 1.53 0.00 0.00 0.00 0.00 178.15 179.97 3kdu n GLY 386 N 4.72 -1.12 0.12 0.00 0.00 -1.26 -3.62 105.19 104.03 3kdu n GLY 386 Ca -0.18 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 45.87 3kdu n GLY 386 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kdu h ASP 387 N 0.00 0.00 -4.01 1.61 3.45 -1.97 -3.48 116.42 112.02 3kdu h ASP 387 Ca 0.00 0.00 -0.52 0.00 0.43 0.00 0.00 57.03 56.94 3kdu h ASP 387 Cb 0.27 0.00 0.09 0.00 -0.56 0.00 0.00 39.33 39.13 3kdu h ASP 387 CO 0.00 0.00 0.55 -0.13 -1.57 0.00 0.00 179.24 178.09 3kdu s ARG 388 N -3.16 3.58 0.50 3.56 1.81 -1.24 -4.99 118.95 119.02 3kdu s ARG 388 Ca 0.09 2.00 -0.18 0.00 -1.72 0.00 0.00 55.73 55.92 3kdu s ARG 388 Cb 0.11 -2.42 -0.08 0.00 -0.45 0.00 0.00 34.95 32.11 3kdu s ARG 388 CO 0.57 -0.76 1.00 -1.25 -0.68 0.00 0.00 175.30 174.18 3kdu s PRO 389 N -2.69 3.89 -0.25 3.54 0.04 -1.26 -3.91 135.00 134.35 3kdu s PRO 389 Ca 0.65 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.79 3kdu s PRO 389 Cb -0.34 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.07 3kdu s PRO 389 CO 0.42 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.54 3kdu n GLY 390 N -1.04 0.57 3.70 0.56 0.00 -1.26 -5.02 105.19 102.71 3kdu n GLY 390 Ca 0.07 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 3kdu n GLY 390 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kdu s LEU 391 N -0.54 4.34 -0.14 0.99 1.43 -1.25 -4.90 118.68 118.61 3kdu s LEU 391 Ca 0.00 1.64 -0.23 0.00 -1.03 0.00 0.00 54.13 54.51 3kdu s LEU 391 Cb 0.00 -3.57 -0.20 0.00 0.03 0.00 0.00 46.19 42.45 3kdu s LEU 391 CO 0.00 -0.31 0.58 -0.07 0.23 0.00 0.00 176.35 176.78 3kdu h LEU 392 N 7.09 0.00 -7.41 1.79 3.38 -1.95 -3.41 115.31 114.80 3kdu h LEU 392 Ca -0.39 -0.77 -0.69 0.00 0.09 0.00 0.00 57.88 56.13 3kdu h LEU 392 Cb 1.20 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.59 3kdu h LEU 392 CO 0.78 0.93 -0.31 0.21 0.09 0.00 0.00 178.44 180.14 3kdu s ASN 393 N -6.13 5.39 0.17 -0.43 3.84 -1.26 -4.91 114.94 111.62 3kdu s ASN 393 Ca -0.16 -3.30 -0.08 0.00 0.21 0.00 0.00 52.86 49.53 3kdu s ASN 393 Cb -0.02 -1.83 0.04 0.00 -0.55 0.00 0.00 41.25 38.89 3kdu s ASN 393 CO 0.55 -0.26 1.53 0.58 -2.79 0.00 0.00 177.10 176.71 3kdu h VAL 394 N 4.75 1.28 -0.13 -5.21 2.07 -1.94 -3.12 116.25 113.95 3kdu h VAL 394 Ca 0.06 -1.50 0.05 0.00 0.82 0.00 0.00 66.70 66.13 3kdu h VAL 394 Cb 0.88 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 3kdu h VAL 394 CO 0.76 0.50 -0.20 1.23 0.02 0.00 0.00 177.57 179.87 3kdu h GLY 395 N 0.87 -0.18 0.68 2.17 0.00 -1.97 0.22 103.07 104.86 3kdu h GLY 395 Ca 0.07 0.25 0.07 0.00 0.00 0.00 0.00 47.33 47.72 3kdu h GLY 395 CO 0.08 -0.18 0.47 0.84 0.00 0.00 0.00 176.54 177.74 3kdu h HIS 396 N -0.26 0.86 -0.34 5.60 6.17 -1.99 -1.83 115.15 123.35 3kdu h HIS 396 Ca 0.10 0.03 -0.16 0.00 0.71 0.00 0.00 60.37 61.05 3kdu h HIS 396 Cb 0.41 -0.27 -0.00 0.00 2.52 0.00 0.00 27.41 30.06 3kdu h HIS 396 CO -0.31 0.41 -0.40 0.82 0.71 0.00 0.00 177.93 179.16 3kdu h ILE 397 N 0.84 1.28 -0.82 6.26 2.04 -1.36 -2.23 117.51 123.52 3kdu h ILE 397 Ca 0.35 -1.58 0.05 0.00 1.00 0.00 0.00 64.86 64.68 3kdu h ILE 397 Cb 0.21 1.48 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 3kdu h ILE 397 CO -0.19 0.52 0.51 -0.33 0.00 0.00 0.00 178.15 178.67 3kdu h GLU 398 N 0.68 0.93 -0.18 2.37 5.08 -0.28 0.17 114.58 123.36 3kdu h GLU 398 Ca 0.05 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 3kdu h GLU 398 Cb 1.00 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 3kdu h GLU 398 CO 0.10 0.62 -0.11 0.87 -1.00 0.00 0.00 179.01 179.49 3kdu h LYS 399 N 0.96 0.39 -0.52 2.33 1.57 -1.29 0.51 116.57 120.52 3kdu h LYS 399 Ca 0.35 -0.18 0.09 0.00 -1.87 0.00 0.00 60.65 59.04 3kdu h LYS 399 Cb 0.10 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.34 3kdu h LYS 399 CO -0.15 0.71 0.12 1.98 -0.57 0.00 0.00 179.45 181.54 3kdu h MET 400 N 0.06 0.26 -0.42 3.15 4.05 -1.15 -2.42 114.93 118.45 3kdu h MET 400 Ca 0.04 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 3kdu h MET 400 Cb 0.60 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 3kdu h MET 400 CO 0.03 0.17 0.24 0.37 0.23 0.00 0.00 176.91 177.94 3kdu h GLN 401 N 0.26 0.57 -0.72 0.39 4.15 -0.47 -2.50 115.11 116.79 3kdu h GLN 401 Ca 0.26 -0.06 0.16 0.00 0.77 0.00 0.00 58.65 59.78 3kdu h GLN 401 Cb 0.35 -0.12 -0.11 0.00 0.21 0.00 0.00 27.48 27.81 3kdu h GLN 401 CO -0.33 0.45 0.11 1.49 -1.93 0.00 0.00 178.83 178.62 3kdu h GLU 402 N 0.54 0.19 -0.29 1.69 4.81 -0.62 0.51 114.58 121.42 3kdu h GLU 402 Ca 0.15 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3kdu h GLU 402 Cb 0.04 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3kdu h GLU 402 CO -0.03 0.13 0.12 0.78 -0.73 0.00 0.00 179.01 179.29 3kdu h GLY 403 N 0.20 0.46 0.92 1.92 0.00 -1.12 -1.94 103.07 103.51 3kdu h GLY 403 Ca 0.40 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.44 3kdu h GLY 403 CO -0.55 0.23 0.02 -2.22 0.00 0.00 0.00 176.54 174.01 3kdu h ILE 404 N 0.32 1.25 -0.18 2.60 2.04 -0.97 -1.97 117.51 120.60 3kdu h ILE 404 Ca 0.10 -0.94 -0.09 0.00 1.00 0.00 0.00 64.86 64.93 3kdu h ILE 404 Cb 0.16 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3kdu h ILE 404 CO -0.01 0.31 -0.28 0.58 0.00 0.00 0.00 178.15 178.76 3kdu h VAL 405 N 0.43 1.26 0.04 1.67 2.07 -0.94 -0.61 116.25 120.18 3kdu h VAL 405 Ca 0.10 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 3kdu h VAL 405 Cb 0.43 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3kdu h VAL 405 CO 0.02 0.38 -0.02 -0.74 0.02 0.00 0.00 177.57 177.23 3kdu h HIS 406 N 0.30 -0.05 -0.54 1.57 -0.00 -1.20 -1.48 115.15 113.75 3kdu h HIS 406 Ca 0.04 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.42 3kdu h HIS 406 Cb 0.65 0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 28.05 3kdu h HIS 406 CO 0.02 0.27 0.36 -0.24 -0.00 0.00 0.00 177.93 178.33 3kdu h VAL 407 N -0.38 1.13 0.02 5.26 3.04 -1.26 -2.37 116.25 121.69 3kdu h VAL 407 Ca -0.01 -0.25 -0.00 0.00 -1.01 0.00 0.00 66.70 65.44 3kdu h VAL 407 Cb 0.35 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 29.98 3kdu h VAL 407 CO 0.01 0.13 -0.01 0.25 -1.01 0.00 0.00 177.57 176.94 3kdu h LEU 408 N 0.72 -0.02 -0.18 3.16 5.85 -0.98 0.06 115.31 123.92 3kdu h LEU 408 Ca 0.20 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.73 3kdu h LEU 408 Cb -0.07 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3kdu h LEU 408 CO -0.04 0.21 -0.06 -0.09 -0.34 0.00 0.00 178.44 178.12 3kdu h ARG 409 N -0.25 -0.02 -0.81 1.25 2.43 -1.15 -1.25 114.38 114.59 3kdu h ARG 409 Ca -0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3kdu h ARG 409 Cb 0.24 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 3kdu h ARG 409 CO 0.00 -0.01 0.38 -0.07 -1.51 0.00 0.00 179.97 178.77 3kdu h LEU 410 N -0.02 1.06 -0.43 3.80 3.38 -1.37 -1.47 115.31 120.27 3kdu h LEU 410 Ca 0.09 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 3kdu h LEU 410 Cb 0.15 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3kdu h LEU 410 CO -0.20 0.90 -0.13 -0.74 0.09 0.00 0.00 178.44 178.36 3kdu h HIS 411 N 1.15 0.95 -0.26 1.13 2.76 -0.70 -1.81 115.15 118.36 3kdu h HIS 411 Ca 0.28 -0.21 -0.06 0.00 -2.20 0.00 0.00 60.37 58.18 3kdu h HIS 411 Cb 0.12 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 3kdu h HIS 411 CO 0.01 0.96 -0.09 -0.07 -1.30 0.00 0.00 177.93 177.45 3kdu h LEU 412 N 0.67 0.40 -0.42 0.26 3.38 -1.05 0.17 115.31 118.72 3kdu h LEU 412 Ca 0.10 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3kdu h LEU 412 Cb 0.67 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3kdu h LEU 412 CO 0.05 0.54 0.05 -0.61 0.09 0.00 0.00 178.44 178.56 3kdu h GLN 413 N 0.40 0.70 0.01 1.13 4.15 -1.02 0.12 115.11 120.61 3kdu h GLN 413 Ca 0.08 -0.20 -0.24 0.00 0.77 0.00 0.00 58.65 59.07 3kdu h GLN 413 Cb 0.40 -0.08 0.01 0.00 0.21 0.00 0.00 27.48 28.02 3kdu h GLN 413 CO 0.02 0.75 -0.98 0.66 -1.93 0.00 0.00 178.83 177.35 3kdu h SER 414 N 0.55 0.57 0.80 -0.69 4.64 -1.07 -3.20 113.55 115.16 3kdu h SER 414 Ca 0.13 -0.47 -0.20 0.00 -0.47 0.00 0.00 61.79 60.77 3kdu h SER 414 Cb 0.40 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 3kdu h SER 414 CO 0.01 1.28 -1.30 -1.13 -0.87 0.00 0.00 176.83 174.82 3kdu h ASN 415 N 0.24 0.00 -2.14 4.97 -1.24 -0.68 -3.38 115.58 113.34 3kdu h ASN 415 Ca -0.09 0.00 -0.57 0.00 0.71 0.00 0.00 56.30 56.35 3kdu h ASN 415 Cb 1.63 0.00 -0.41 0.00 0.73 0.00 0.00 38.32 40.27 3kdu h ASN 415 CO 0.17 0.75 -0.81 1.41 -1.29 0.00 0.00 177.43 177.67 3kdu n HIS 416 N -3.05 2.35 0.30 0.67 8.25 0.41 -4.91 115.22 119.24 3kdu n HIS 416 Ca -0.09 -3.93 0.18 0.00 -0.26 0.00 0.00 57.72 53.62 3kdu n HIS 416 Cb 0.90 -0.47 0.94 0.00 1.12 0.00 0.00 29.99 32.47 3kdu n HIS 416 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3kdu h PRO 417 N 3.66 0.00 0.00 -0.41 0.13 -1.74 -2.37 132.00 131.26 3kdu h PRO 417 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3kdu h PRO 417 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3kdu h PRO 417 CO 0.70 0.03 0.00 -0.40 -0.23 0.00 0.00 178.00 178.10 3kdu n ASP 418 N -3.29 0.24 -3.47 1.44 5.75 -1.26 -4.17 116.55 111.79 3kdu n ASP 418 Ca -0.02 0.54 -0.27 0.00 -0.01 0.00 0.00 54.79 55.04 3kdu n ASP 418 Cb 0.17 -0.60 -0.12 0.00 -1.03 0.00 0.00 41.12 39.54 3kdu n ASP 418 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3kdu s ASP 419 N -3.45 2.85 0.07 -1.12 2.15 -0.89 -5.00 116.67 111.27 3kdu s ASP 419 Ca 0.09 -1.70 0.20 0.00 0.43 0.00 0.00 52.55 51.57 3kdu s ASP 419 Cb 0.12 -0.20 0.84 0.00 -0.30 0.00 0.00 42.92 43.39 3kdu s ASP 419 CO 0.40 -0.35 1.64 0.00 -0.17 0.00 0.00 175.17 176.69 3kdu n ILE 420 N 4.57 0.71 -1.16 4.11 0.13 -1.26 -2.62 119.36 123.85 3kdu n ILE 420 Ca 0.05 0.15 -0.07 0.00 -1.10 0.00 0.00 62.75 61.77 3kdu n ILE 420 Cb 0.40 -0.88 0.25 0.00 -0.84 0.00 0.00 39.64 38.57 3kdu n ILE 420 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 3kdu n PHE 421 N -1.70 2.09 -0.09 9.51 3.01 -1.26 -4.55 117.46 124.46 3kdu n PHE 421 Ca 0.04 -1.37 -0.10 0.00 1.01 0.00 0.00 57.45 57.03 3kdu n PHE 421 Cb 0.24 -0.65 0.04 0.00 -0.01 0.00 0.00 39.48 39.10 3kdu n PHE 421 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 3kdu h LEU 422 N 1.89 0.86 -0.02 4.37 5.85 -1.86 -2.90 115.31 123.49 3kdu h LEU 422 Ca 0.29 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.67 3kdu h LEU 422 Cb 2.18 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.95 3kdu h LEU 422 CO 0.67 1.12 -0.11 0.15 -0.34 0.00 0.00 178.44 179.93 3kdu h PHE 423 N 0.68 -0.28 -0.86 1.25 3.57 -1.86 0.40 116.94 119.84 3kdu h PHE 423 Ca 0.07 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.68 3kdu h PHE 423 Cb 0.90 0.13 -0.08 0.00 2.79 0.00 0.00 35.95 39.69 3kdu h PHE 423 CO 0.05 -0.17 0.50 -1.35 -2.23 0.00 0.00 178.31 175.11 3kdu h PRO 424 N -0.18 0.79 -0.81 6.41 0.11 -1.90 -1.26 132.00 135.16 3kdu h PRO 424 Ca 0.05 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3kdu h PRO 424 Cb 0.24 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.13 3kdu h PRO 424 CO -0.12 0.52 0.52 0.87 -0.21 0.00 0.00 178.00 179.58 3kdu h LYS 425 N 0.82 1.08 -0.45 1.05 1.57 -1.24 -2.54 116.57 116.85 3kdu h LYS 425 Ca 0.42 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 59.04 3kdu h LYS 425 Cb 0.42 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3kdu h LYS 425 CO -0.26 0.73 -0.09 -0.07 -0.57 0.00 0.00 179.45 179.19 3kdu h LEU 426 N 1.10 0.78 -1.17 2.94 3.38 -0.31 -2.39 115.31 119.64 3kdu h LEU 426 Ca 0.30 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3kdu h LEU 426 Cb -0.10 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.39 3kdu h LEU 426 CO -0.06 0.90 0.56 -0.07 0.09 0.00 0.00 178.44 179.86 3kdu h LEU 427 N 0.72 0.95 -0.49 1.67 3.38 -1.02 -0.66 115.31 119.86 3kdu h LEU 427 Ca 0.13 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3kdu h LEU 427 Cb 0.57 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3kdu h LEU 427 CO 0.03 0.67 0.26 1.56 0.09 0.00 0.00 178.44 181.06 3kdu h GLN 428 N 1.11 0.69 -0.19 1.13 4.20 -1.11 -2.65 115.11 118.29 3kdu h GLN 428 Ca 0.33 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 3kdu h GLN 428 Cb -0.05 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 3kdu h GLN 428 CO -0.08 0.55 0.09 0.87 -0.67 0.00 0.00 178.83 179.58 3kdu h LYS 429 N 0.65 0.25 -0.62 1.46 1.79 -0.88 -0.06 116.57 119.17 3kdu h LYS 429 Ca 0.17 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.59 3kdu h LYS 429 Cb 0.06 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.63 3kdu h LYS 429 CO -0.03 0.20 0.28 1.98 -1.08 0.00 0.00 179.45 180.80 3kdu h MET 430 N 0.26 0.90 -0.42 3.15 4.05 -0.84 0.56 114.93 122.58 3kdu h MET 430 Ca 0.07 -0.15 -0.11 0.00 -0.28 0.00 0.00 59.70 59.23 3kdu h MET 430 Cb 0.03 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.66 3kdu h MET 430 CO -0.01 0.74 -0.16 0.00 0.23 0.00 0.00 176.91 177.71 3kdu h ALA 431 N 1.11 0.59 -0.98 0.39 0.00 -0.93 -2.91 119.26 116.53 3kdu h ALA 431 Ca 0.21 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.82 3kdu h ALA 431 Cb 0.15 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 3kdu h ALA 431 CO -0.02 0.52 0.63 -0.44 0.00 0.00 0.00 179.25 179.94 3kdu h ASP 432 N 0.68 1.03 -0.80 0.00 3.32 -0.79 -2.61 116.42 117.25 3kdu h ASP 432 Ca 0.10 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3kdu h ASP 432 Cb 0.71 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 3kdu h ASP 432 CO 0.05 0.67 0.41 -0.07 -1.72 0.00 0.00 179.24 178.59 3kdu h LEU 433 N 1.18 1.03 -0.50 1.55 3.38 -0.79 -1.37 115.31 119.77 3kdu h LEU 433 Ca 0.41 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 3kdu h LEU 433 Cb 0.11 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3kdu h LEU 433 CO -0.16 0.85 0.27 -0.09 0.09 0.00 0.00 178.44 179.40 3kdu h ARG 434 N 1.14 0.71 -0.39 1.13 2.43 -1.27 -1.45 114.38 116.68 3kdu h ARG 434 Ca 0.28 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 3kdu h ARG 434 Cb 0.07 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3kdu h ARG 434 CO -0.04 0.56 -0.06 0.37 -1.51 0.00 0.00 179.97 179.29 3kdu h GLN 435 N 0.67 0.73 -0.91 0.20 5.75 -1.39 -0.49 115.11 119.67 3kdu h GLN 435 Ca 0.18 -0.26 0.07 0.00 -0.15 0.00 0.00 58.65 58.49 3kdu h GLN 435 Cb 0.07 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 28.50 3kdu h GLN 435 CO -0.03 0.86 0.57 1.25 -2.65 0.00 0.00 178.83 178.83 3kdu h LEU 436 N 0.54 0.88 -0.15 -2.39 5.85 -1.13 -0.53 115.31 118.38 3kdu h LEU 436 Ca 0.10 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 3kdu h LEU 436 Cb 0.57 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.44 3kdu h LEU 436 CO 0.03 0.54 -0.39 0.58 -0.34 0.00 0.00 178.44 178.86 3kdu h VAL 437 N 1.00 1.35 -0.24 1.05 2.07 -1.04 -0.63 116.25 119.81 3kdu h VAL 437 Ca 0.41 -1.66 0.06 0.00 0.82 0.00 0.00 66.70 66.33 3kdu h VAL 437 Cb 0.24 2.01 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 3kdu h VAL 437 CO -0.20 0.50 -0.20 0.74 0.02 0.00 0.00 177.57 178.44 3kdu h THR 438 N 0.16 0.46 -0.59 2.57 2.02 -0.82 -0.76 112.91 115.96 3kdu h THR 438 Ca -0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3kdu h THR 438 Cb 1.00 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 67.83 3kdu h THR 438 CO 0.08 0.00 0.31 -0.08 0.37 0.00 0.00 175.52 176.20 3kdu h GLU 439 N -0.20 0.57 -0.72 6.66 4.81 -1.08 -2.62 114.58 122.00 3kdu h GLU 439 Ca 0.14 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3kdu h GLU 439 Cb 0.41 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 3kdu h GLU 439 CO -0.36 0.38 0.46 1.25 -0.73 0.00 0.00 179.01 180.01 3kdu h HIS 440 N 0.59 0.87 -0.62 0.92 2.76 -0.46 -1.58 115.15 117.63 3kdu h HIS 440 Ca 0.26 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 3kdu h HIS 440 Cb 0.16 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.80 3kdu h HIS 440 CO -0.09 0.53 0.39 0.00 -1.30 0.00 0.00 177.93 177.45 3kdu h ALA 441 N 1.28 0.78 -0.17 5.26 0.00 -0.92 -1.17 119.26 124.32 3kdu h ALA 441 Ca 0.27 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3kdu h ALA 441 Cb -0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3kdu h ALA 441 CO -0.08 0.24 0.01 1.96 0.00 0.00 0.00 179.25 181.38 3kdu h GLN 442 N 0.84 0.06 -0.63 0.00 4.20 -1.09 -1.95 115.11 116.53 3kdu h GLN 442 Ca 0.22 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 3kdu h GLN 442 Cb -0.05 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 3kdu h GLN 442 CO -0.04 0.04 0.34 -0.07 -0.67 0.00 0.00 178.83 178.43 3kdu h LEU 443 N 0.07 0.79 -1.08 1.46 3.38 -1.03 -1.39 115.31 117.51 3kdu h LEU 443 Ca 0.08 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3kdu h LEU 443 Cb 0.09 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3kdu h LEU 443 CO -0.13 0.67 0.12 0.58 0.09 0.00 0.00 178.44 179.77 3kdu h VAL 444 N 0.86 1.22 -0.17 1.22 2.07 -1.11 -1.97 116.25 118.36 3kdu h VAL 444 Ca 0.22 -0.79 -0.12 0.00 0.82 0.00 0.00 66.70 66.84 3kdu h VAL 444 Cb 0.06 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3kdu h VAL 444 CO -0.03 0.29 -0.41 1.56 0.02 0.00 0.00 177.57 179.00 3kdu h GLN 445 N 0.75 0.38 -0.48 1.57 1.08 -0.93 -1.52 115.11 115.96 3kdu h GLN 445 Ca 0.17 -0.18 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 3kdu h GLN 445 Cb 0.28 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 3kdu h GLN 445 CO -0.00 0.72 0.14 0.82 -0.95 0.00 0.00 178.83 179.57 3kdu h ILE 446 N 0.32 1.23 -0.97 2.54 2.04 -0.88 -0.86 117.51 120.92 3kdu h ILE 446 Ca 0.03 -0.77 0.05 0.00 1.00 0.00 0.00 64.86 65.17 3kdu h ILE 446 Cb 0.85 0.82 -0.06 0.00 -0.74 0.00 0.00 36.82 37.69 3kdu h ILE 446 CO 0.07 0.28 0.63 0.40 0.00 0.00 0.00 178.15 179.53 3kdu h ILE 447 N 0.65 1.11 -0.05 -0.67 2.04 -1.18 -0.22 117.51 119.19 3kdu h ILE 447 Ca 0.15 -0.40 -0.10 0.00 1.00 0.00 0.00 64.86 65.51 3kdu h ILE 447 Cb 0.28 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 3kdu h ILE 447 CO -0.00 0.21 -0.43 0.11 0.00 0.00 0.00 178.15 178.04 3kdu h LYS 448 N 1.17 0.11 -0.00 2.37 1.79 -0.94 -1.04 116.57 120.03 3kdu h LYS 448 Ca 0.41 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 3kdu h LYS 448 Cb 0.10 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3kdu h LYS 448 CO -0.15 0.52 -0.73 1.63 -1.08 0.00 0.00 179.45 179.64 3kdu n LYS 449 N -4.02 0.06 0.00 3.15 5.02 -0.36 -4.50 118.16 117.51 3kdu n LYS 449 Ca -0.02 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3kdu n LYS 449 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 3kdu n LYS 449 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3kdu n THR 450 N -1.43 0.00 -4.11 -0.18 -2.24 -0.15 -5.05 114.28 101.13 3kdu n THR 450 Ca 0.05 -0.23 -0.34 0.00 -2.27 0.00 0.00 64.05 61.26 3kdu n THR 450 Cb 0.34 0.87 -0.15 0.00 -2.10 0.00 0.00 70.33 69.29 3kdu n THR 450 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3kdu s GLU 451 N -0.66 3.20 0.08 -0.78 0.41 -0.40 -5.03 118.70 115.52 3kdu s GLU 451 Ca 0.00 -0.73 -0.15 0.00 -0.41 0.00 0.00 54.97 53.68 3kdu s GLU 451 Cb 0.00 -2.76 -0.17 0.00 -1.78 0.00 0.00 34.13 29.41 3kdu s GLU 451 CO 0.00 -0.16 1.26 0.77 -0.49 0.00 0.00 175.26 176.64 3kdu h SER 452 N 7.89 0.83 0.01 -0.19 0.02 -1.93 -3.33 113.55 116.85 3kdu h SER 452 Ca -0.42 -0.65 0.00 0.00 -0.84 0.00 0.00 61.79 59.89 3kdu h SER 452 Cb 1.16 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.45 3kdu h SER 452 CO 0.61 1.34 -0.11 -0.67 -1.14 0.00 0.00 176.83 176.87 3kdu n ASP 453 N -4.04 2.17 -4.43 3.07 2.03 -1.26 -4.84 116.55 109.25 3kdu n ASP 453 Ca -0.08 -1.65 -0.44 0.00 0.52 0.00 0.00 54.79 53.15 3kdu n ASP 453 Cb 0.71 0.09 -0.04 0.00 -0.72 0.00 0.00 41.12 41.16 3kdu n ASP 453 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kdu s ALA 454 N -2.13 3.23 0.23 -1.67 0.00 -1.25 -5.04 121.76 115.13 3kdu s ALA 454 Ca 0.29 -1.92 -0.08 0.00 0.00 0.00 0.00 51.96 50.25 3kdu s ALA 454 Cb 0.20 -3.71 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 3kdu s ALA 454 CO 0.38 -2.55 0.53 0.00 0.00 0.00 0.00 175.76 174.11 3kdu s ALA 455 N 3.50 3.61 -0.18 0.00 0.00 -1.26 -4.82 121.76 122.61 3kdu s ALA 455 Ca 0.19 -0.38 -0.02 0.00 0.00 0.00 0.00 51.96 51.74 3kdu s ALA 455 Cb -0.19 -2.36 -0.01 0.00 0.00 0.00 0.00 23.12 20.56 3kdu s ALA 455 CO 0.10 0.46 -0.09 -1.17 0.00 0.00 0.00 175.76 175.06 3kdu s LEU 456 N -2.99 2.79 0.15 0.00 2.96 -1.26 -4.90 118.68 115.43 3kdu s LEU 456 Ca 0.46 -0.37 -0.34 0.00 -0.22 0.00 0.00 54.13 53.66 3kdu s LEU 456 Cb -0.11 -1.67 -0.16 0.00 0.50 0.00 0.00 46.19 44.75 3kdu s LEU 456 CO 0.24 0.06 1.16 1.57 -1.32 0.00 0.00 176.35 178.06 3kdu n HIS 457 N 4.23 1.23 0.17 5.38 -0.00 -1.26 -4.70 115.22 120.27 3kdu n HIS 457 Ca -0.18 0.70 0.06 0.00 -0.00 0.00 0.00 57.72 58.30 3kdu n HIS 457 Cb 0.52 -2.27 0.55 0.00 -0.00 0.00 0.00 29.99 28.79 3kdu n HIS 457 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3kdu h PRO 458 N 3.43 0.17 -0.60 1.57 0.13 -1.99 -0.41 132.00 134.30 3kdu h PRO 458 Ca -0.44 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 3kdu h PRO 458 Cb 1.35 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 3kdu h PRO 458 CO 0.70 0.14 0.21 1.25 -0.23 0.00 0.00 178.00 180.08 3kdu h LEU 459 N 0.17 0.84 -0.51 1.56 5.85 -2.00 -2.50 115.31 118.72 3kdu h LEU 459 Ca 0.04 -0.19 -0.15 0.00 0.84 0.00 0.00 57.88 58.42 3kdu h LEU 459 Cb 0.04 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 3kdu h LEU 459 CO -0.01 0.81 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.40 3kdu h LEU 460 N 0.83 0.79 -0.47 2.25 3.38 -1.65 -1.88 115.31 118.56 3kdu h LEU 460 Ca 0.20 -0.37 0.08 0.00 0.09 0.00 0.00 57.88 57.88 3kdu h LEU 460 Cb 0.24 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 3kdu h LEU 460 CO -0.01 1.11 0.06 1.56 0.09 0.00 0.00 178.44 181.25 3kdu h GLN 461 N 0.59 0.18 -0.57 1.13 4.20 -1.03 -0.85 115.11 118.76 3kdu h GLN 461 Ca 0.04 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3kdu h GLN 461 Cb 0.98 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.69 3kdu h GLN 461 CO 0.09 0.12 0.31 1.49 -0.67 0.00 0.00 178.83 180.18 3kdu h GLU 462 N 0.19 0.80 -0.16 1.46 4.57 -1.23 -1.11 114.58 119.10 3kdu h GLU 462 Ca 0.23 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 58.33 3kdu h GLU 462 Cb 0.32 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 3kdu h GLU 462 CO -0.33 0.61 0.06 0.82 -1.18 0.00 0.00 179.01 178.99 3kdu h ILE 463 N 0.77 0.96 0.00 2.32 2.04 -0.86 -2.71 117.51 120.04 3kdu h ILE 463 Ca 0.20 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 66.01 3kdu h ILE 463 Cb 0.05 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3kdu h ILE 463 CO -0.03 0.02 -0.00 1.88 0.00 0.00 0.00 178.15 180.02 3kdu h TYR 464 N 0.13 0.00 -2.68 1.37 0.99 -0.99 -3.46 116.97 112.34 3kdu h TYR 464 Ca 0.07 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.27 3kdu h TYR 464 Cb 0.04 0.00 0.02 0.00 1.00 0.00 0.00 36.73 37.79 3kdu h TYR 464 CO -0.11 0.00 1.01 0.50 -0.00 0.00 0.00 178.16 179.56 3kdu s ARG 465 N -3.77 4.19 -0.97 4.88 3.52 -0.44 -3.49 118.95 122.88 3kdu s ARG 465 Ca -0.00 2.35 -0.08 0.00 -0.13 0.00 0.00 55.73 57.87 3kdu s ARG 465 Cb 0.10 -3.59 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 3kdu s ARG 465 CO 0.52 -0.74 0.80 -3.47 -0.81 0.00 0.00 175.30 171.60 3kdu n ASP 466 N 5.59 -6.52 -0.03 -2.12 2.03 -1.26 -4.84 116.55 109.40 3kdu n ASP 466 Ca 0.16 -0.63 0.00 0.00 0.52 0.00 0.00 54.79 54.84 3kdu n ASP 466 Cb 0.40 -4.51 0.00 0.00 -0.72 0.00 0.00 41.12 36.29 3kdu n ASP 466 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3kdu n MET 467 N -3.01 0.42 0.00 -0.67 2.81 -1.23 -5.16 117.12 110.28 3kdu n MET 467 Ca -0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 3kdu n MET 467 Cb 0.58 -1.01 0.00 0.00 -0.71 0.00 0.00 33.22 32.08 3kdu n MET 467 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46