#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qas h MET 207 N 0.00 0.00 0.00 1.97 2.86 -2.10 -2.27 114.93 115.39 1qas h MET 207 Ca 0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 1qas h MET 207 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1qas h MET 207 CO 0.00 0.38 -1.56 -0.11 1.06 0.00 0.00 176.91 176.68 1qas n LEU 208 N -3.65 0.56 0.00 1.22 7.94 -1.26 -4.06 117.00 117.76 1qas n LEU 208 Ca -0.01 0.24 0.07 0.00 -1.11 0.00 0.00 56.01 55.20 1qas n LEU 208 Cb 0.49 0.08 0.40 0.00 0.53 0.00 0.00 43.42 44.91 1qas n LEU 208 CO 0.37 0.07 0.65 0.41 -1.11 0.00 0.00 177.39 177.78 1qas n THR 209 N -2.68 0.00 -2.72 1.96 -1.04 -0.88 -4.79 114.28 104.13 1qas n THR 209 Ca -0.09 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.53 1qas n THR 209 Cb 0.75 -0.45 -0.06 0.00 -1.82 0.00 0.00 70.33 68.75 1qas n THR 209 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1qas s GLN 210 N -2.00 4.69 -0.23 -2.82 -0.21 -1.06 -5.05 119.66 112.99 1qas s GLN 210 Ca 0.20 1.46 -0.01 0.00 0.02 0.00 0.00 55.36 57.02 1qas s GLN 210 Cb 0.09 -3.04 0.07 0.00 1.00 0.00 0.00 33.01 31.13 1qas s GLN 210 CO 0.15 0.36 0.02 1.03 -2.12 0.00 0.00 175.29 174.73 1qas s ARG 211 N -1.63 0.95 0.31 2.91 0.52 -1.26 -5.02 118.95 115.73 1qas s ARG 211 Ca 0.46 -0.72 0.09 0.00 -0.52 0.00 0.00 55.73 55.04 1qas s ARG 211 Cb -0.23 -2.24 0.87 0.00 0.52 0.00 0.00 34.95 33.87 1qas s ARG 211 CO 0.29 -0.70 1.71 0.00 0.02 0.00 0.00 175.30 176.63 1qas h ALA 212 N 8.13 1.71 0.00 2.13 0.00 -1.99 0.99 119.26 130.24 1qas h ALA 212 Ca -0.16 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1qas h ALA 212 Cb 1.09 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1qas h ALA 212 CO 0.38 -0.34 -0.29 1.05 0.00 0.00 0.00 179.25 180.06 1qas h GLU 213 N 0.49 0.00 0.00 0.00 9.09 -1.99 0.35 114.58 122.53 1qas h GLU 213 Ca 0.63 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.82 1qas h GLU 213 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 1qas h GLU 213 CO -0.51 0.29 -0.95 0.82 0.05 0.00 0.00 179.01 178.70 1qas h ILE 214 N 0.00 1.40 -0.58 -1.06 1.08 -1.27 -1.26 117.51 115.82 1qas h ILE 214 Ca -0.00 -2.46 -0.11 0.00 -0.39 0.00 0.00 64.86 61.90 1qas h ILE 214 Cb 0.54 2.43 -0.02 0.00 -3.07 0.00 0.00 36.82 36.70 1qas h ILE 214 CO 0.04 0.73 -0.05 0.44 -0.69 0.00 0.00 178.15 178.62 1qas h ASP 215 N 0.23 1.05 -0.34 1.72 5.19 -0.69 0.10 116.42 123.69 1qas h ASP 215 Ca -0.08 -0.33 -0.03 0.00 -0.62 0.00 0.00 57.03 55.97 1qas h ASP 215 Cb 1.59 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.81 1qas h ASP 215 CO 0.17 1.12 0.08 -0.09 -3.12 0.00 0.00 179.24 177.40 1qas h ARG 216 N 0.95 0.54 -0.58 3.56 9.65 -0.85 -1.55 114.38 126.11 1qas h ARG 216 Ca 0.16 -0.13 -0.09 0.00 -1.10 0.00 0.00 59.98 58.82 1qas h ARG 216 Cb 0.61 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.10 1qas h ARG 216 CO 0.04 0.59 -0.00 0.00 2.80 0.00 0.00 179.97 183.40 1qas h ALA 217 N 0.92 0.90 0.30 2.80 0.00 -1.05 -0.55 119.26 122.58 1qas h ALA 217 Ca 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1qas h ALA 217 Cb 0.30 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1qas h ALA 217 CO 0.00 0.65 -0.15 0.35 0.00 0.00 0.00 179.25 180.11 1qas h PHE 218 N 0.92 -0.38 -0.59 0.00 3.57 -0.65 -2.86 116.94 116.94 1qas h PHE 218 Ca 0.17 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.70 1qas h PHE 218 Cb 0.54 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 1qas h PHE 218 CO 0.04 -0.08 0.39 0.93 -2.23 0.00 0.00 178.31 177.36 1qas h GLU 219 N -0.67 0.63 0.00 1.11 5.08 -1.27 0.76 114.58 120.21 1qas h GLU 219 Ca -0.04 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1qas h GLU 219 Cb 0.47 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1qas h GLU 219 CO 0.07 0.42 -0.03 1.49 -1.00 0.00 0.00 179.01 179.95 1qas h GLU 220 N 0.65 0.00 0.00 2.33 4.81 -0.98 -1.31 114.58 120.08 1qas h GLU 220 Ca 0.24 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.20 1qas h GLU 220 Cb 0.15 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.48 1qas h GLU 220 CO -0.07 0.03 -2.03 0.00 -0.73 0.00 0.00 179.01 176.22 1qas n ALA 221 N -2.27 1.63 -0.07 2.92 0.00 0.91 -4.76 120.51 118.86 1qas n ALA 221 Ca -0.03 -0.94 -0.22 0.00 0.00 0.00 0.00 53.44 52.26 1qas n ALA 221 Cb 0.13 -0.03 -0.12 0.00 0.00 0.00 0.00 19.45 19.42 1qas n ALA 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qas n ALA 222 N -2.67 0.87 0.00 0.00 0.00 0.23 -4.85 120.51 114.09 1qas n ALA 222 Ca -0.26 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.59 1qas n ALA 222 Cb 0.95 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1qas n ALA 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qas n GLY 223 N 1.63 0.36 0.00 0.00 0.00 -0.51 -3.60 105.19 103.07 1qas n GLY 223 Ca -0.34 -1.36 0.06 0.00 0.00 0.00 0.00 46.02 44.38 1qas n GLY 223 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qas n SER 224 N 1.41 0.00 -4.76 1.61 2.88 -1.26 -4.65 113.62 108.84 1qas n SER 224 Ca 0.00 -0.18 -0.40 0.00 -1.33 0.00 0.00 58.87 56.97 1qas n SER 224 Cb 0.00 -0.12 -0.06 0.00 -0.75 0.00 0.00 64.21 63.28 1qas n SER 224 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qas s ALA 225 N -2.24 3.39 -0.06 -1.46 0.00 -1.24 -4.96 121.76 115.19 1qas s ALA 225 Ca 0.16 0.49 0.13 0.00 0.00 0.00 0.00 51.96 52.74 1qas s ALA 225 Cb 0.08 -3.08 -0.18 0.00 0.00 0.00 0.00 23.12 19.94 1qas s ALA 225 CO 0.16 0.25 0.83 1.49 0.00 0.00 0.00 175.76 178.49 1qas h GLU 226 N 4.17 0.00 -6.65 0.00 4.81 -1.90 -3.45 114.58 111.55 1qas h GLU 226 Ca -0.46 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 58.08 1qas h GLU 226 Cb 1.20 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.36 1qas h GLU 226 CO 0.67 0.48 -0.83 0.95 -0.73 0.00 0.00 179.01 179.55 1qas s THR 227 N -2.74 2.62 0.21 0.32 -4.23 -1.26 -4.44 115.64 106.13 1qas s THR 227 Ca -0.03 -1.30 -0.28 0.00 -1.18 0.00 0.00 61.69 58.89 1qas s THR 227 Cb 0.08 -2.10 -0.09 0.00 1.34 0.00 0.00 72.50 71.74 1qas s THR 227 CO 0.82 0.30 0.88 -0.76 -0.54 0.00 0.00 174.62 175.32 1qas s LEU 228 N -1.52 4.63 0.33 4.79 1.43 0.79 -4.84 118.68 124.30 1qas s LEU 228 Ca 0.14 1.84 -0.12 0.00 -1.03 0.00 0.00 54.13 54.96 1qas s LEU 228 Cb -0.10 -3.50 -0.08 0.00 0.03 0.00 0.00 46.19 42.54 1qas s LEU 228 CO 0.05 0.18 0.71 -0.94 0.23 0.00 0.00 176.35 176.58 1qas s SER 229 N -1.17 6.65 0.37 2.29 1.04 -1.26 -1.45 113.70 120.17 1qas s SER 229 Ca 0.39 1.15 0.15 0.00 0.48 0.00 0.00 55.95 58.11 1qas s SER 229 Cb -0.25 -2.32 1.00 0.00 0.10 0.00 0.00 66.02 64.55 1qas s SER 229 CO 0.30 -0.25 1.78 0.58 0.98 0.00 0.00 173.24 176.63 1qas h VAL 230 N 1.66 0.59 -0.32 5.02 2.07 -1.95 0.13 116.25 123.45 1qas h VAL 230 Ca -0.47 -0.17 -0.15 0.00 0.82 0.00 0.00 66.70 66.73 1qas h VAL 230 Cb 1.18 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1qas h VAL 230 CO 0.65 0.09 -0.39 -0.33 0.02 0.00 0.00 177.57 177.61 1qas h GLU 231 N 0.49 0.76 -0.02 1.57 3.07 -1.92 -2.02 114.58 116.51 1qas h GLU 231 Ca 0.58 -0.39 -0.18 0.00 -0.50 0.00 0.00 59.36 58.86 1qas h GLU 231 Cb 1.30 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.20 1qas h GLU 231 CO -0.31 1.01 -0.80 0.00 -1.40 0.00 0.00 179.01 177.51 1qas h ARG 232 N 0.62 0.20 -0.13 2.33 2.47 -1.22 -3.17 114.38 115.49 1qas h ARG 232 Ca 0.05 -0.20 -0.11 0.00 -1.26 0.00 0.00 59.98 58.47 1qas h ARG 232 Cb 0.94 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.30 1qas h ARG 232 CO 0.09 0.90 -0.40 1.25 0.56 0.00 0.00 179.97 182.36 1qas h LEU 233 N 0.12 0.30 -1.84 3.04 5.85 -0.88 -2.06 115.31 119.85 1qas h LEU 233 Ca -0.03 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1qas h LEU 233 Cb 1.40 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 1qas h LEU 233 CO 0.12 0.68 -0.14 0.58 -0.34 0.00 0.00 178.44 179.34 1qas h VAL 234 N 0.24 0.68 0.14 1.05 2.07 -1.34 0.11 116.25 119.20 1qas h VAL 234 Ca 0.02 -0.57 -0.28 0.00 0.82 0.00 0.00 66.70 66.68 1qas h VAL 234 Cb 0.82 1.36 0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1qas h VAL 234 CO 0.06 0.14 -1.26 0.74 0.02 0.00 0.00 177.57 177.27 1qas h THR 235 N 0.00 1.43 0.64 2.57 2.02 -1.38 -2.63 112.91 115.56 1qas h THR 235 Ca -0.00 -2.89 -0.03 0.00 0.77 0.00 0.00 66.41 64.26 1qas h THR 235 Cb 0.35 2.89 0.01 0.00 -1.74 0.00 0.00 68.15 69.66 1qas h THR 235 CO 0.02 0.85 -0.31 0.15 0.37 0.00 0.00 175.52 176.60 1qas h PHE 236 N 0.12 -0.80 -0.84 3.16 3.57 -0.81 0.38 116.94 121.72 1qas h PHE 236 Ca -0.16 -0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.51 1qas h PHE 236 Cb 1.97 0.26 -0.11 0.00 2.79 0.00 0.00 35.95 40.86 1qas h PHE 236 CO 0.08 -0.46 0.34 -0.07 -2.23 0.00 0.00 178.31 175.97 1qas h LEU 237 N -0.97 0.28 0.09 0.59 3.38 -0.88 0.80 115.31 118.59 1qas h LEU 237 Ca -0.09 0.14 -0.22 0.00 0.09 0.00 0.00 57.88 57.80 1qas h LEU 237 Cb 0.69 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1qas h LEU 237 CO 0.14 0.03 -1.11 0.06 0.09 0.00 0.00 178.44 177.65 1qas h GLN 238 N 0.41 0.20 0.05 1.13 3.07 -1.40 0.22 115.11 118.79 1qas h GLN 238 Ca 0.50 -0.34 -0.00 0.00 0.09 0.00 0.00 58.65 58.90 1qas h GLN 238 Cb 0.88 0.13 0.00 0.00 0.08 0.00 0.00 27.48 28.57 1qas h GLN 238 CO -0.49 1.16 -0.03 1.25 0.09 0.00 0.00 178.83 180.82 1qas h HIS 239 N -0.48 -0.07 0.17 0.06 2.76 0.32 -2.83 115.15 115.09 1qas h HIS 239 Ca -0.24 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.92 1qas h HIS 239 Cb 1.60 0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.58 1qas h HIS 239 CO 0.15 0.42 -0.08 1.96 -1.30 0.00 0.00 177.93 179.09 1qas h GLN 240 N -0.96 -0.21 0.00 5.26 1.08 0.45 -3.37 115.11 117.36 1qas h GLN 240 Ca -0.01 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1qas h GLN 240 Cb 0.52 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1qas h GLN 240 CO 0.01 -0.14 0.00 1.04 -0.95 0.00 0.00 178.83 178.79 1qas n GLN 241 N -4.92 0.25 -3.16 1.46 1.13 -0.46 -3.54 117.38 108.15 1qas n GLN 241 Ca -0.03 0.12 -0.17 0.00 -1.94 0.00 0.00 57.00 54.98 1qas n GLN 241 Cb 0.09 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 28.92 1qas n GLN 241 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1qas n ARG 242 N -1.29 -2.60 -2.55 -1.09 5.12 -0.83 -4.54 116.66 108.89 1qas n ARG 242 Ca 0.08 0.27 -0.34 0.00 -1.93 0.00 0.00 57.85 55.93 1qas n ARG 242 Cb 0.14 -4.87 -0.03 0.00 -1.16 0.00 0.00 32.46 26.54 1qas n ARG 242 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1qas s GLU 243 N -5.76 3.80 -0.70 5.56 0.41 0.73 -4.86 118.70 117.89 1qas s GLU 243 Ca 0.29 1.36 -0.05 0.00 -0.41 0.00 0.00 54.97 56.16 1qas s GLU 243 Cb -0.16 -2.09 0.06 0.00 -1.78 0.00 0.00 34.13 30.15 1qas s GLU 243 CO 0.35 -0.43 2.72 0.39 -0.49 0.00 0.00 175.26 177.80 1qas n GLU 244 N -0.96 3.03 -1.23 1.61 4.71 -1.26 -4.54 120.64 122.00 1qas n GLU 244 Ca 0.09 -2.59 -0.44 0.00 -0.01 0.00 0.00 57.16 54.22 1qas n GLU 244 Cb 0.53 -2.29 -0.04 0.00 -1.01 0.00 0.00 31.44 28.63 1qas n GLU 244 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1qas n GLU 245 N 1.26 0.00 -1.10 3.49 -0.58 -1.26 -4.86 120.64 117.59 1qas n GLU 245 Ca 0.53 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 57.08 1qas n GLU 245 Cb 0.48 -0.96 -0.03 0.00 -0.57 0.00 0.00 31.44 30.36 1qas n GLU 245 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1qas n ALA 246 N 0.30 5.69 -0.28 0.62 0.00 -1.26 -4.95 120.51 120.64 1qas n ALA 246 Ca 0.16 -2.06 0.00 0.00 0.00 0.00 0.00 53.44 51.54 1qas n ALA 246 Cb 0.18 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1qas n ALA 246 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qas n GLY 247 N 0.93 2.18 0.23 0.00 0.00 -1.26 0.06 105.19 107.33 1qas n GLY 247 Ca 0.36 -0.19 0.16 0.00 0.00 0.00 0.00 46.02 46.35 1qas n GLY 247 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1qas h PRO 248 N 0.00 0.00 0.13 1.61 0.11 -1.93 -2.77 132.00 129.15 1qas h PRO 248 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1qas h PRO 248 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1qas h PRO 248 CO 0.00 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 177.73 1qas h ALA 249 N 2.08 -0.18 -0.18 -0.75 0.00 -1.10 0.34 119.26 119.47 1qas h ALA 249 Ca 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1qas h ALA 249 Cb 0.32 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1qas h ALA 249 CO 0.00 -0.30 -0.04 1.25 0.00 0.00 0.00 179.25 180.16 1qas h LEU 250 N -0.77 -0.15 -0.55 0.00 5.85 -0.26 0.32 115.31 119.74 1qas h LEU 250 Ca -0.02 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.86 1qas h LEU 250 Cb 0.54 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.58 1qas h LEU 250 CO 0.03 -0.05 -0.01 0.00 -0.34 0.00 0.00 178.44 178.07 1qas h ALA 251 N 1.18 0.52 0.00 1.25 0.00 -1.50 0.16 119.26 120.88 1qas h ALA 251 Ca 0.09 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1qas h ALA 251 Cb 0.13 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1qas h ALA 251 CO -0.18 -0.39 -0.40 -0.07 0.00 0.00 0.00 179.25 178.21 1qas h LEU 252 N 0.11 0.00 0.04 0.00 3.38 0.57 -2.49 115.31 116.93 1qas h LEU 252 Ca 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1qas h LEU 252 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1qas h LEU 252 CO -0.47 0.40 -0.02 0.28 0.09 0.00 0.00 178.44 178.72 1qas h SER 253 N 0.00 -0.05 -0.99 -0.43 0.02 0.24 -1.60 113.55 110.73 1qas h SER 253 Ca -0.00 -0.36 0.01 0.00 -0.84 0.00 0.00 61.79 60.60 1qas h SER 253 Cb 0.75 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.26 1qas h SER 253 CO 0.05 0.34 0.66 -0.07 -1.14 0.00 0.00 176.83 176.67 1qas h LEU 254 N -0.45 1.13 0.11 5.07 -0.00 -1.06 0.21 115.31 120.33 1qas h LEU 254 Ca -0.01 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 1qas h LEU 254 Cb 0.41 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1qas h LEU 254 CO 0.01 0.82 -0.05 0.40 -0.00 0.00 0.00 178.44 179.61 1qas h ILE 255 N 1.34 1.02 -0.75 1.22 2.04 -1.41 0.25 117.51 121.22 1qas h ILE 255 Ca 0.37 -0.54 0.08 0.00 1.00 0.00 0.00 64.86 65.77 1qas h ILE 255 Cb -0.14 1.36 -0.07 0.00 -0.74 0.00 0.00 36.82 37.24 1qas h ILE 255 CO -0.08 0.13 0.42 -0.08 0.00 0.00 0.00 178.15 178.54 1qas h GLU 256 N -0.40 0.71 0.39 2.37 4.57 -1.10 -1.78 114.58 119.34 1qas h GLU 256 Ca -0.02 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1qas h GLU 256 Cb 0.33 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1qas h GLU 256 CO 0.03 0.47 -0.19 -0.09 -1.18 0.00 0.00 179.01 178.05 1qas h ARG 257 N 0.73 -0.51 0.00 1.92 2.43 -0.82 -3.40 114.38 114.74 1qas h ARG 257 Ca 0.35 0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.43 1qas h ARG 257 Cb 0.29 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1qas h ARG 257 CO -0.22 -0.34 -1.10 1.88 -1.51 0.00 0.00 179.97 178.68 1qas h TYR 258 N -0.96 0.00 -2.33 2.20 0.05 -0.54 -3.47 116.97 111.92 1qas h TYR 258 Ca -0.05 0.00 -0.58 0.00 0.05 0.00 0.00 58.73 58.15 1qas h TYR 258 Cb 0.40 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 1qas h TYR 258 CO 0.02 0.49 1.37 -2.00 -1.05 0.00 0.00 178.16 176.99 1qas s GLU 259 N -2.98 3.31 0.31 4.88 2.56 -0.67 -4.57 118.70 121.53 1qas s GLU 259 Ca -0.01 1.80 0.16 0.00 0.00 0.00 0.00 54.97 56.93 1qas s GLU 259 Cb 0.08 -4.27 0.34 0.00 2.00 0.00 0.00 34.13 32.28 1qas s GLU 259 CO 0.79 -1.90 1.57 -1.00 -0.56 0.00 0.00 175.26 174.16 1qas h PRO 260 N 13.70 0.00 -6.31 4.30 0.13 -1.89 -3.44 132.00 138.50 1qas h PRO 260 Ca -0.38 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.18 1qas h PRO 260 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1qas h PRO 260 CO 0.99 0.50 0.98 0.45 -0.23 0.00 0.00 178.00 180.69 1qas s SER 261 N -6.49 6.67 0.25 1.44 0.15 -1.26 -4.90 113.70 109.56 1qas s SER 261 Ca 0.02 1.37 -0.04 0.00 0.70 0.00 0.00 55.95 57.99 1qas s SER 261 Cb 0.10 -2.54 0.29 0.00 -1.71 0.00 0.00 66.02 62.16 1qas s SER 261 CO 0.73 -1.05 1.81 -0.33 1.20 0.00 0.00 173.24 175.60 1qas h GLU 262 N 9.33 1.02 -0.16 5.44 4.39 -1.99 -0.83 114.58 131.77 1qas h GLU 262 Ca -0.27 -0.19 -0.15 0.00 0.34 0.00 0.00 59.36 59.09 1qas h GLU 262 Cb 1.11 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1qas h GLU 262 CO 1.02 0.85 -0.49 1.79 -1.16 0.00 0.00 179.01 181.02 1qas h THR 263 N 0.99 1.33 0.00 1.13 1.35 -1.98 -0.55 112.91 115.18 1qas h THR 263 Ca 0.23 -1.74 -0.05 0.00 -0.55 0.00 0.00 66.41 64.29 1qas h THR 263 Cb 0.23 1.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 1qas h THR 263 CO -0.01 0.54 -0.26 0.00 -0.25 0.00 0.00 175.52 175.53 1qas h ALA 264 N 0.55 1.05 -0.10 6.62 0.00 -1.84 0.30 119.26 125.84 1qas h ALA 264 Ca -0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1qas h ALA 264 Cb 1.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1qas h ALA 264 CO 0.10 0.32 -0.18 -0.22 0.00 0.00 0.00 179.25 179.28 1qas h LYS 265 N 0.00 0.29 -0.37 0.00 3.64 -1.01 0.18 116.57 119.31 1qas h LYS 265 Ca -0.00 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 1qas h LYS 265 Cb 0.74 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1qas h LYS 265 CO 0.03 0.78 0.20 0.00 -2.27 0.00 0.00 179.45 178.19 1qas h ALA 266 N 0.52 0.48 -0.03 5.00 0.00 -0.61 -2.32 119.26 122.29 1qas h ALA 266 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1qas h ALA 266 Cb 0.76 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1qas h ALA 266 CO 0.04 0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.34 1qas n GLN 267 N -4.75 1.20 -3.76 0.00 6.02 0.10 -4.86 117.38 111.32 1qas n GLN 267 Ca -0.00 -0.17 -0.26 0.00 -0.01 0.00 0.00 57.00 56.56 1qas n GLN 267 Cb 0.08 -1.47 0.04 0.00 1.02 0.00 0.00 30.24 29.92 1qas n GLN 267 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1qas n ARG 268 N -0.02 -5.92 -4.24 -1.09 1.74 -0.87 -5.02 116.66 101.24 1qas n ARG 268 Ca 0.02 0.67 -0.13 0.00 -0.77 0.00 0.00 57.85 57.63 1qas n ARG 268 Cb 0.26 -5.51 -0.10 0.00 -1.02 0.00 0.00 32.46 26.09 1qas n ARG 268 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1qas s GLN 269 N -6.30 1.04 -0.18 5.56 -0.21 0.63 -3.39 119.66 116.81 1qas s GLN 269 Ca 0.42 -1.46 0.00 0.00 0.02 0.00 0.00 55.36 54.35 1qas s GLN 269 Cb -0.21 -0.46 0.01 0.00 1.00 0.00 0.00 33.01 33.36 1qas s GLN 269 CO 0.80 0.00 -0.17 1.41 -2.12 0.00 0.00 175.29 175.21 1qas s MET 270 N -3.81 3.07 0.22 2.91 -2.45 -0.53 -4.00 119.30 114.71 1qas s MET 270 Ca 0.18 -0.79 -0.04 0.00 -1.25 0.00 0.00 55.69 53.78 1qas s MET 270 Cb 0.04 -2.63 0.05 0.00 1.25 0.00 0.00 34.83 33.54 1qas s MET 270 CO 0.01 -0.18 0.27 0.25 1.05 0.00 0.00 175.02 176.41 1qas n THR 271 N 4.59 0.00 0.16 10.11 -2.24 -1.26 -0.15 114.28 125.49 1qas n THR 271 Ca -0.20 -0.18 0.08 0.00 -2.27 0.00 0.00 64.05 61.48 1qas n THR 271 Cb 0.50 -1.66 0.08 0.00 -2.10 0.00 0.00 70.33 67.15 1qas n THR 271 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1qas h LYS 272 N 0.00 0.00 -0.31 -0.78 3.64 -1.99 -2.57 116.57 114.57 1qas h LYS 272 Ca -0.09 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.17 1qas h LYS 272 Cb 0.26 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1qas h LYS 272 CO 0.06 0.16 -0.26 -0.44 -2.27 0.00 0.00 179.45 176.71 1qas h ASP 273 N 0.00 0.76 0.66 4.20 3.32 -1.97 -1.48 116.42 121.91 1qas h ASP 273 Ca -0.02 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1qas h ASP 273 Cb 1.15 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1qas h ASP 273 CO 0.02 1.05 -0.37 0.61 -1.72 0.00 0.00 179.24 178.83 1qas n GLY 274 N 0.10 -1.33 0.13 2.75 0.00 -1.24 -2.16 105.19 103.45 1qas n GLY 274 Ca -0.03 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 1qas n GLY 274 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1qas h PHE 275 N 0.00 0.69 -0.09 1.61 3.57 -1.25 -2.80 116.94 118.67 1qas h PHE 275 Ca 0.00 -0.51 -0.05 0.00 3.53 0.00 0.00 57.97 60.95 1qas h PHE 275 Cb 0.51 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 1qas h PHE 275 CO 0.00 1.41 -0.13 1.25 -2.23 0.00 0.00 178.31 178.61 1qas h LEU 276 N -0.19 0.27 -0.76 0.59 5.85 -1.34 -2.58 115.31 117.15 1qas h LEU 276 Ca -0.19 -0.52 0.09 0.00 0.84 0.00 0.00 57.88 58.11 1qas h LEU 276 Cb 1.83 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.71 1qas h LEU 276 CO 0.19 0.74 0.41 0.24 -0.34 0.00 0.00 178.44 179.68 1qas h MET 277 N -0.19 0.67 -0.56 1.25 2.86 -1.57 0.20 114.93 117.59 1qas h MET 277 Ca 0.01 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1qas h MET 277 Cb 0.67 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.16 1qas h MET 277 CO 0.03 0.44 0.13 -0.92 1.06 0.00 0.00 176.91 177.65 1qas h TYR 278 N 0.69 0.89 0.00 -0.22 3.20 -1.52 -1.47 116.97 118.55 1qas h TYR 278 Ca 0.37 -0.09 -0.12 0.00 3.14 0.00 0.00 58.73 62.03 1qas h TYR 278 Cb 0.37 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1qas h TYR 278 CO -0.09 0.75 -0.58 -0.07 -1.64 0.00 0.00 178.16 176.54 1qas h LEU 279 N 0.83 0.00 0.00 2.82 3.38 -0.57 -2.17 115.31 119.60 1qas h LEU 279 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1qas h LEU 279 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1qas h LEU 279 CO -0.00 0.58 -0.52 0.18 0.09 0.00 0.00 178.44 178.77 1qas n LEU 280 N -3.72 0.52 0.00 1.67 4.77 0.51 -3.87 117.00 116.87 1qas n LEU 280 Ca -0.01 0.05 -0.18 0.00 -0.03 0.00 0.00 56.01 55.85 1qas n LEU 280 Cb 0.61 -0.24 0.13 0.00 -2.33 0.00 0.00 43.42 41.58 1qas n LEU 280 CO 0.41 0.09 0.53 -1.54 -1.33 0.00 0.00 177.39 175.55 1qas n SER 281 N -1.61 -0.00 0.22 -1.43 3.41 -0.57 -4.80 113.62 108.83 1qas n SER 281 Ca 0.05 -1.28 0.05 0.00 -0.26 0.00 0.00 58.87 57.43 1qas n SER 281 Cb 0.36 -0.62 0.48 0.00 -0.26 0.00 0.00 64.21 64.17 1qas n SER 281 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qas h ALA 282 N -1.90 1.64 0.00 7.33 0.00 -1.89 0.16 119.26 124.60 1qas h ALA 282 Ca -0.26 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 1qas h ALA 282 Cb 0.72 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1qas h ALA 282 CO 0.18 0.27 -0.47 -0.44 0.00 0.00 0.00 179.25 178.79 1qas h ASP 283 N 0.00 0.00 0.68 0.00 3.32 -1.93 -3.20 116.42 115.29 1qas h ASP 283 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qas h ASP 283 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1qas h ASP 283 CO 0.03 0.47 -0.72 0.61 -1.72 0.00 0.00 179.24 177.91 1qas n GLY 284 N 0.81 -1.33 3.69 2.75 0.00 -0.08 -4.95 105.19 106.08 1qas n GLY 284 Ca 0.01 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 1qas n GLY 284 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qas n ASN 285 N -1.97 2.26 0.24 1.61 2.85 -0.45 -2.13 115.26 117.67 1qas n ASN 285 Ca 0.03 1.06 0.12 0.00 -0.11 0.00 0.00 54.58 55.69 1qas n ASN 285 Cb 0.42 -1.48 0.57 0.00 1.24 0.00 0.00 39.78 40.53 1qas n ASN 285 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1qas h ALA 286 N 1.81 1.05 -2.30 5.20 0.00 -1.80 -3.40 119.26 119.83 1qas h ALA 286 Ca -0.48 -0.14 -0.65 0.00 0.00 0.00 0.00 54.91 53.65 1qas h ALA 286 Cb 1.31 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.93 1qas h ALA 286 CO 0.58 0.19 0.08 0.12 0.00 0.00 0.00 179.25 180.23 1qas s PHE 287 N -3.75 3.12 -0.39 0.00 2.19 -1.26 -0.65 117.98 117.25 1qas s PHE 287 Ca 0.00 0.13 -0.43 0.00 0.33 0.00 0.00 56.93 56.96 1qas s PHE 287 Cb 0.10 -3.17 -0.17 0.00 -1.31 0.00 0.00 43.02 38.47 1qas s PHE 287 CO 0.60 -0.71 1.77 0.45 1.83 0.00 0.00 175.22 179.17 1qas n SER 288 N 6.05 1.74 -0.25 6.13 2.88 0.30 -4.86 113.62 125.62 1qas n SER 288 Ca -0.02 1.02 -0.01 0.00 -1.33 0.00 0.00 58.87 58.53 1qas n SER 288 Cb 0.48 -1.02 0.19 0.00 -0.75 0.00 0.00 64.21 63.11 1qas n SER 288 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1qas h LEU 289 N 7.00 0.95 -2.26 2.46 5.85 -1.87 -1.17 115.31 126.27 1qas h LEU 289 Ca -0.40 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.30 1qas h LEU 289 Cb 1.35 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 1qas h LEU 289 CO 0.99 0.73 0.08 0.00 -0.34 0.00 0.00 178.44 179.90 1qas h ALA 290 N 1.44 1.78 -0.00 1.25 0.00 -1.93 -0.01 119.26 121.78 1qas h ALA 290 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1qas h ALA 290 Cb -0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1qas h ALA 290 CO -0.05 -0.13 -0.24 0.72 0.00 0.00 0.00 179.25 179.55 1qas n HIS 291 N -4.03 0.00 1.73 0.00 8.25 -0.45 -3.70 115.22 117.03 1qas n HIS 291 Ca -0.01 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.51 1qas n HIS 291 Cb 0.19 -0.22 0.28 0.00 1.12 0.00 0.00 29.99 31.36 1qas n HIS 291 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1qas n ARG 292 N -1.07 1.22 -4.35 -0.41 5.12 -0.02 -1.75 116.66 115.41 1qas n ARG 292 Ca 0.11 -0.33 -0.20 0.00 -1.93 0.00 0.00 57.85 55.50 1qas n ARG 292 Cb 0.32 -1.20 -0.10 0.00 -1.16 0.00 0.00 32.46 30.31 1qas n ARG 292 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1qas s ARG 293 N -1.91 1.34 -0.16 5.56 1.70 -1.24 -4.28 118.95 119.96 1qas s ARG 293 Ca 0.18 -1.56 -0.29 0.00 -0.47 0.00 0.00 55.73 53.59 1qas s ARG 293 Cb 0.09 -1.21 -0.03 0.00 -0.57 0.00 0.00 34.95 33.23 1qas s ARG 293 CO 0.14 0.21 1.46 0.08 -1.08 0.00 0.00 175.30 176.11 1qas s VAL 294 N -2.74 3.94 0.00 4.99 1.01 -1.26 -2.26 120.40 124.09 1qas s VAL 294 Ca 0.21 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.31 1qas s VAL 294 Cb -0.02 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1qas s VAL 294 CO 0.07 -0.19 0.19 0.00 0.00 0.00 0.00 175.10 175.17 1qas n TYR 295 N 7.29 0.00 -3.11 5.22 0.18 -1.26 -4.94 117.16 120.53 1qas n TYR 295 Ca 0.16 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.72 1qas n TYR 295 Cb 0.45 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.41 1qas n TYR 295 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 1qas s GLN 296 N -0.02 3.10 -0.10 -3.48 -0.21 -1.26 -5.02 119.66 112.66 1qas s GLN 296 Ca 0.00 -0.59 -0.29 0.00 0.02 0.00 0.00 55.36 54.49 1qas s GLN 296 Cb 0.00 -2.62 -0.05 0.00 1.00 0.00 0.00 33.01 31.34 1qas s GLN 296 CO 0.00 -0.17 1.68 0.34 -2.12 0.00 0.00 175.29 175.02 1qas s ASP 297 N -4.20 6.53 -0.35 5.90 -1.08 -1.26 -4.87 116.67 117.34 1qas s ASP 297 Ca 0.47 2.08 0.08 0.00 -0.52 0.00 0.00 52.55 54.65 1qas s ASP 297 Cb -0.10 -2.53 0.59 0.00 -1.46 0.00 0.00 42.92 39.42 1qas s ASP 297 CO 0.36 -1.06 1.67 0.23 0.52 0.00 0.00 175.17 176.89 1qas n MET 298 N 7.36 2.25 -0.10 4.34 2.81 -1.26 -4.51 117.12 128.01 1qas n MET 298 Ca 0.18 -3.09 0.07 0.00 -1.81 0.00 0.00 57.70 53.05 1qas n MET 298 Cb 0.43 -2.00 0.12 0.00 -0.71 0.00 0.00 33.22 31.07 1qas n MET 298 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1qas n ASP 299 N -1.00 2.45 -4.97 7.83 8.00 -1.26 -1.25 116.55 126.36 1qas n ASP 299 Ca 0.43 -2.76 -0.21 0.00 0.71 0.00 0.00 54.79 52.96 1qas n ASP 299 Cb 1.30 -0.33 -0.02 0.00 -0.02 0.00 0.00 41.12 42.06 1qas n ASP 299 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1qas s GLN 300 N -2.32 3.45 0.65 -1.24 -1.52 -1.26 -4.78 119.66 112.62 1qas s GLN 300 Ca 0.25 -0.71 -0.17 0.00 -1.95 0.00 0.00 55.36 52.78 1qas s GLN 300 Cb 0.21 -2.87 -0.04 0.00 -0.22 0.00 0.00 33.01 30.10 1qas s GLN 300 CO 0.03 0.40 0.87 -2.30 -0.25 0.00 0.00 175.29 174.04 1qas n PRO 301 N -1.43 0.67 -0.19 2.91 -0.02 -1.26 -3.97 135.00 131.71 1qas n PRO 301 Ca -0.08 0.27 0.20 0.00 -2.02 0.00 0.00 63.50 61.87 1qas n PRO 301 Cb 0.57 -2.10 0.57 0.00 -0.02 0.00 0.00 33.50 32.52 1qas n PRO 301 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1qas h LEU 302 N 0.14 0.29 0.00 2.45 3.38 -1.52 -0.41 115.31 119.64 1qas h LEU 302 Ca -0.48 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1qas h LEU 302 Cb 1.36 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1qas h LEU 302 CO 0.48 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 177.60 1qas n SER 303 N -4.45 0.00 -0.75 -0.43 3.41 -1.26 -2.44 113.62 107.70 1qas n SER 303 Ca 0.17 0.43 0.10 0.00 -0.26 0.00 0.00 58.87 59.31 1qas n SER 303 Cb 0.70 -0.46 0.29 0.00 -0.26 0.00 0.00 64.21 64.48 1qas n SER 303 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1qas n HIS 304 N -1.46 0.37 -4.32 7.33 8.25 -0.16 -4.56 115.22 120.66 1qas n HIS 304 Ca 0.04 -0.18 -0.18 0.00 -0.26 0.00 0.00 57.72 57.13 1qas n HIS 304 Cb 0.15 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.15 1qas n HIS 304 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1qas s TYR 305 N -1.63 1.63 -0.23 4.41 1.51 -1.02 -1.07 117.35 120.95 1qas s TYR 305 Ca 0.33 -0.58 -0.10 0.00 -1.01 0.00 0.00 57.07 55.71 1qas s TYR 305 Cb 0.18 -0.78 -0.05 0.00 -0.11 0.00 0.00 41.96 41.20 1qas s TYR 305 CO 0.26 0.30 0.15 -0.51 -1.11 0.00 0.00 175.55 174.64 1qas s LEU 306 N -3.11 4.14 -0.18 -1.29 1.43 0.08 -4.64 118.68 115.11 1qas s LEU 306 Ca 0.19 0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.38 1qas s LEU 306 Cb -0.01 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 1qas s LEU 306 CO 0.06 0.10 0.02 -0.69 0.23 0.00 0.00 176.35 176.06 1qas s VAL 307 N 0.86 4.30 -0.16 -1.59 1.01 0.12 -2.13 120.40 122.81 1qas s VAL 307 Ca 0.08 -0.21 -0.28 0.00 0.00 0.00 0.00 61.98 61.57 1qas s VAL 307 Cb -0.13 -2.92 -0.06 0.00 0.00 0.00 0.00 36.38 33.27 1qas s VAL 307 CO 0.03 0.46 2.15 -0.55 0.00 0.00 0.00 175.10 177.19 1qas s SER 308 N 0.52 5.69 -0.06 3.32 0.15 -0.55 -4.36 113.70 118.42 1qas s SER 308 Ca 0.00 2.05 0.04 0.00 0.70 0.00 0.00 55.95 58.74 1qas s SER 308 Cb -0.14 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1qas s SER 308 CO 0.02 -1.75 -0.18 -0.44 1.20 0.00 0.00 173.24 172.10 1qas s SER 309 N 7.34 2.29 -0.14 5.45 0.01 -1.26 -0.04 113.70 127.35 1qas s SER 309 Ca 0.97 -0.39 -0.07 0.00 1.31 0.00 0.00 55.95 57.77 1qas s SER 309 Cb -0.35 -0.84 -0.04 0.00 0.21 0.00 0.00 66.02 65.00 1qas s SER 309 CO 0.36 0.13 0.12 -0.55 0.41 0.00 0.00 173.24 173.71 1qas s SER 310 N 0.27 6.20 -0.16 2.44 0.15 0.16 -2.04 113.70 120.72 1qas s SER 310 Ca -0.10 0.37 -0.07 0.00 0.70 0.00 0.00 55.95 56.85 1qas s SER 310 Cb -0.14 -2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 62.12 1qas s SER 310 CO 0.04 0.35 0.09 -2.28 1.20 0.00 0.00 173.24 172.64 1qas s HIS 311 N -0.66 3.37 -1.14 3.44 5.04 -0.79 -4.03 115.29 120.52 1qas s HIS 311 Ca 0.13 0.27 -0.14 0.00 -1.54 0.00 0.00 55.06 53.78 1qas s HIS 311 Cb -0.12 -2.03 0.02 0.00 0.04 0.00 0.00 32.58 30.50 1qas s HIS 311 CO 0.02 0.38 0.27 0.09 -2.34 0.00 0.00 174.74 173.17 1qas n ASN 312 N 2.94 -1.23 -0.45 9.88 5.03 -1.26 -4.62 115.26 125.55 1qas n ASN 312 Ca -0.18 -1.07 0.39 0.00 0.87 0.00 0.00 54.58 54.60 1qas n ASN 312 Cb 0.53 -1.30 0.73 0.00 -1.02 0.00 0.00 39.78 38.72 1qas n ASN 312 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.26 176.17 1qas h THR 313 N -1.48 0.26 0.00 3.41 2.02 -1.79 -0.81 112.91 114.53 1qas h THR 313 Ca -0.57 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 1qas h THR 313 Cb 1.16 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1qas h THR 313 CO 0.51 0.01 -0.05 0.10 0.37 0.00 0.00 175.52 176.46 1qas h TYR 314 N 0.06 0.00 -3.70 3.16 -0.00 -1.85 -3.37 116.97 111.26 1qas h TYR 314 Ca 0.71 0.00 -0.50 0.00 -0.00 0.00 0.00 58.73 58.94 1qas h TYR 314 Cb 2.65 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 39.38 1qas h TYR 314 CO -0.00 0.05 0.40 -0.51 -0.00 0.00 0.00 178.16 178.10 1qas s LEU 315 N -7.58 4.58 -0.01 0.10 1.43 -0.31 -0.62 118.68 116.27 1qas s LEU 315 Ca -0.04 2.02 0.19 0.00 -1.03 0.00 0.00 54.13 55.26 1qas s LEU 315 Cb 0.14 -3.61 -0.23 0.00 0.03 0.00 0.00 46.19 42.52 1qas s LEU 315 CO 0.57 -0.00 0.68 0.18 0.23 0.00 0.00 176.35 178.00 1qas n LEU 316 N 1.77 0.61 0.00 1.79 4.77 -0.62 -4.76 117.00 120.56 1qas n LEU 316 Ca -0.00 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1qas n LEU 316 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1qas n LEU 316 CO 0.52 0.15 0.00 -0.62 -1.33 0.00 0.00 177.39 176.11 1qas n GLU 317 N -1.67 0.00 -1.94 3.23 1.02 -1.26 -4.88 120.64 115.15 1qas n GLU 317 Ca 0.01 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.86 1qas n GLU 317 Cb 0.36 0.00 0.17 0.00 -0.02 0.00 0.00 31.44 31.95 1qas n GLU 317 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1qas s ASP 318 N 1.09 3.37 0.00 1.62 -4.77 -1.26 -4.64 116.67 112.09 1qas s ASP 318 Ca 0.00 0.35 0.27 0.00 -3.30 0.00 0.00 52.55 49.86 1qas s ASP 318 Cb 0.00 -0.47 0.82 0.00 -1.09 0.00 0.00 42.92 42.18 1qas s ASP 318 CO 0.00 -2.58 1.60 0.00 0.70 0.00 0.00 175.17 174.89 1qas n GLN 319 N -3.68 0.89 -0.02 2.11 1.13 -0.31 -4.05 117.38 113.45 1qas n GLN 319 Ca 0.14 -0.51 -0.03 0.00 -1.94 0.00 0.00 57.00 54.66 1qas n GLN 319 Cb 0.60 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.44 1qas n GLN 319 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1qas n LEU 320 N -0.62 2.52 0.00 1.08 4.77 -1.26 -4.85 117.00 118.64 1qas n LEU 320 Ca 0.13 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1qas n LEU 320 Cb 0.34 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1qas n LEU 320 CO 0.25 0.49 0.14 0.35 -1.33 0.00 0.00 177.39 177.29 1qas n THR 321 N -2.73 0.00 -1.68 -5.08 -2.24 -1.26 0.23 114.28 101.52 1qas n THR 321 Ca -0.08 -0.28 -0.29 0.00 -2.27 0.00 0.00 64.05 61.13 1qas n THR 321 Cb 0.58 1.43 0.10 0.00 -2.10 0.00 0.00 70.33 70.34 1qas n THR 321 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1qas s GLY 322 N -0.00 1.60 0.52 3.38 0.00 -1.26 -4.45 107.32 107.11 1qas s GLY 322 Ca 0.00 -0.45 -0.18 0.00 0.00 0.00 0.00 44.72 44.09 1qas s GLY 322 CO 0.00 0.03 1.04 2.56 0.00 0.00 0.00 173.10 176.73 1qas s PRO 323 N -5.34 3.65 -0.01 2.90 0.04 -1.26 -1.29 135.00 133.70 1qas s PRO 323 Ca 0.62 1.26 0.06 0.00 0.04 0.00 0.00 61.00 62.98 1qas s PRO 323 Cb -0.13 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1qas s PRO 323 CO 0.52 -0.54 -0.19 -1.12 0.04 0.00 0.00 177.00 175.71 1qas s SER 324 N -2.36 3.67 -0.04 6.66 0.01 -1.25 -1.58 113.70 118.80 1qas s SER 324 Ca 0.65 -0.36 -0.27 0.00 1.31 0.00 0.00 55.95 57.28 1qas s SER 324 Cb -0.15 -0.62 0.06 0.00 0.21 0.00 0.00 66.02 65.52 1qas s SER 324 CO 0.27 0.30 0.60 -0.55 0.41 0.00 0.00 173.24 174.27 1qas s SER 325 N -0.97 -0.56 0.41 2.44 0.15 0.21 -4.81 113.70 110.58 1qas s SER 325 Ca 0.12 0.58 0.12 0.00 0.70 0.00 0.00 55.95 57.47 1qas s SER 325 Cb -0.10 0.49 0.87 0.00 -1.71 0.00 0.00 66.02 65.57 1qas s SER 325 CO 0.02 -0.57 1.94 0.71 1.20 0.00 0.00 173.24 176.53 1qas h THR 326 N 3.19 1.17 -0.90 6.45 1.35 -1.96 -2.31 112.91 119.90 1qas h THR 326 Ca -0.28 -0.78 0.18 0.00 -0.55 0.00 0.00 66.41 64.98 1qas h THR 326 Cb 1.15 1.34 -0.07 0.00 -1.73 0.00 0.00 68.15 68.83 1qas h THR 326 CO 0.39 0.23 0.59 -0.33 -0.25 0.00 0.00 175.52 176.15 1qas h GLU 327 N 0.09 0.54 -0.54 4.72 5.08 -1.94 0.18 114.58 122.71 1qas h GLU 327 Ca 0.02 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1qas h GLU 327 Cb 0.39 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1qas h GLU 327 CO 0.03 0.36 0.17 0.00 -1.00 0.00 0.00 179.01 178.57 1qas h ALA 328 N 1.61 1.28 -0.15 3.43 0.00 -1.69 0.14 119.26 123.88 1qas h ALA 328 Ca 0.47 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 1qas h ALA 328 Cb 0.96 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1qas h ALA 328 CO -0.21 0.51 -0.50 1.88 0.00 0.00 0.00 179.25 180.93 1qas h TYR 329 N 0.79 0.79 -0.05 0.00 0.05 -0.79 -2.50 116.97 115.26 1qas h TYR 329 Ca 0.18 -0.32 -0.00 0.00 0.05 0.00 0.00 58.73 58.64 1qas h TYR 329 Cb 0.23 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 37.83 1qas h TYR 329 CO 0.01 1.10 0.03 0.82 -1.05 0.00 0.00 178.16 179.07 1qas h ILE 330 N 0.26 1.04 -0.58 -2.88 2.04 -0.85 -1.16 117.51 115.38 1qas h ILE 330 Ca -0.02 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.74 1qas h ILE 330 Cb 1.12 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 1qas h ILE 330 CO 0.11 0.04 0.36 0.03 0.00 0.00 0.00 178.15 178.68 1qas h ARG 331 N 0.03 0.69 -0.83 2.37 3.08 -0.82 -0.20 114.38 118.70 1qas h ARG 331 Ca 0.02 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1qas h ARG 331 Cb 0.04 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 1qas h ARG 331 CO -0.00 0.46 0.45 0.00 -1.07 0.00 0.00 179.97 179.81 1qas h ALA 332 N 1.25 1.07 -0.19 0.04 0.00 -1.09 -2.51 119.26 117.82 1qas h ALA 332 Ca 0.23 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 1qas h ALA 332 Cb 0.01 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.47 1qas h ALA 332 CO -0.09 0.58 -0.69 -0.07 0.00 0.00 0.00 179.25 178.98 1qas h LEU 333 N 1.16 0.94 -2.09 0.00 3.38 -0.90 -0.35 115.31 117.45 1qas h LEU 333 Ca 0.29 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1qas h LEU 333 Cb 0.04 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1qas h LEU 333 CO -0.05 1.38 0.00 0.00 0.09 0.00 0.00 178.44 179.87 1qas n LYS 335 N -2.82 4.16 -0.91 0.00 5.02 -0.96 -4.84 118.16 117.82 1qas n LYS 335 Ca -0.01 -2.95 0.00 0.00 -2.02 0.00 0.00 58.31 53.32 1qas n LYS 335 Cb 0.13 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 32.93 1qas n LYS 335 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qas n GLY 336 N 0.24 0.51 3.70 0.72 0.00 0.31 -4.99 105.19 105.67 1qas n GLY 336 Ca 0.33 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.91 1qas n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qas n ARG 338 N 2.79 1.05 -3.61 0.00 5.12 0.94 -4.54 116.66 118.41 1qas n ARG 338 Ca 0.13 0.04 -0.40 0.00 -1.93 0.00 0.00 57.85 55.69 1qas n ARG 338 Cb 0.33 -1.41 -0.11 0.00 -1.16 0.00 0.00 32.46 30.11 1qas n ARG 338 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1qas s LEU 340 N 1.58 3.53 -0.10 0.00 1.43 -0.30 -0.67 118.68 124.16 1qas s LEU 340 Ca 0.03 -0.11 -0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1qas s LEU 340 Cb -0.18 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 1qas s LEU 340 CO 0.07 0.20 -0.07 -1.61 0.23 0.00 0.00 176.35 175.16 1qas s GLU 341 N -2.17 3.07 -0.18 1.70 2.02 -1.26 -0.38 118.70 121.51 1qas s GLU 341 Ca 0.25 -0.56 -0.01 0.00 0.02 0.00 0.00 54.97 54.67 1qas s GLU 341 Cb -0.12 -2.68 0.05 0.00 0.10 0.00 0.00 34.13 31.48 1qas s GLU 341 CO 0.17 0.49 -0.02 -0.51 0.02 0.00 0.00 175.26 175.41 1qas s LEU 342 N -0.35 1.56 -0.53 1.80 1.02 -0.20 -3.54 118.68 118.44 1qas s LEU 342 Ca 0.05 -0.74 -0.18 0.00 0.02 0.00 0.00 54.13 53.28 1qas s LEU 342 Cb -0.12 -0.83 0.08 0.00 0.02 0.00 0.00 46.19 45.34 1qas s LEU 342 CO 0.02 -0.23 0.60 -1.81 0.02 0.00 0.00 176.35 174.95 1qas s ASP 343 N 1.69 6.19 -0.13 2.29 1.01 -1.26 -0.99 116.67 125.47 1qas s ASP 343 Ca -0.00 -1.22 -0.20 0.00 0.71 0.00 0.00 52.55 51.83 1qas s ASP 343 Cb -0.16 -2.27 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 1qas s ASP 343 CO -0.07 -0.92 0.57 0.00 0.21 0.00 0.00 175.17 174.96 1qas s TRP 345 N 1.00 1.33 0.21 0.00 0.52 0.13 -0.34 118.94 121.79 1qas s TRP 345 Ca 0.29 -1.10 -0.30 0.00 0.02 0.00 0.00 56.10 55.02 1qas s TRP 345 Cb -0.16 -0.76 -0.08 0.00 -1.15 0.00 0.00 33.47 31.31 1qas s TRP 345 CO 0.12 -0.28 1.12 -0.51 0.02 0.00 0.00 176.95 177.42 1qas s ASP 346 N -3.23 7.22 0.28 2.95 1.01 -1.26 -0.80 116.67 122.85 1qas s ASP 346 Ca 0.30 2.18 0.09 0.00 0.71 0.00 0.00 52.55 55.83 1qas s ASP 346 Cb 0.07 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.33 1qas s ASP 346 CO 0.08 -0.23 -0.11 -0.83 0.21 0.00 0.00 175.17 174.29 1qas s GLY 347 N -0.28 1.85 0.18 0.21 0.00 -1.02 -4.64 107.32 103.62 1qas s GLY 347 Ca 0.49 -1.90 -0.33 0.00 0.00 0.00 0.00 44.72 42.98 1qas s GLY 347 CO 0.37 -1.90 1.34 -1.05 0.00 0.00 0.00 173.10 171.87 1qas n PRO 348 N -0.60 1.62 -3.17 2.90 -0.02 -1.26 -3.28 135.00 131.19 1qas n PRO 348 Ca -0.06 0.58 -0.15 0.00 -2.02 0.00 0.00 63.50 61.85 1qas n PRO 348 Cb 0.62 -2.20 0.06 0.00 -0.02 0.00 0.00 33.50 31.97 1qas n PRO 348 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1qas n ASN 349 N 2.36 -3.52 -1.39 2.55 5.03 -1.26 -3.63 115.26 115.39 1qas n ASN 349 Ca 0.15 -0.43 -0.18 0.00 0.87 0.00 0.00 54.58 54.98 1qas n ASN 349 Cb 0.27 -3.89 -0.08 0.00 -1.02 0.00 0.00 39.78 35.06 1qas n ASN 349 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1qas n GLN 350 N -3.55 -1.50 -3.84 3.52 1.13 -1.20 -4.97 117.38 106.96 1qas n GLN 350 Ca -0.11 1.14 -0.36 0.00 -1.94 0.00 0.00 57.00 55.73 1qas n GLN 350 Cb 0.59 -5.52 -0.13 0.00 0.11 0.00 0.00 30.24 25.28 1qas n GLN 350 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1qas s GLU 351 N -3.53 2.76 0.59 -1.09 0.41 -1.23 -4.87 118.70 111.74 1qas s GLU 351 Ca 0.00 -1.06 -0.20 0.00 -0.41 0.00 0.00 54.97 53.30 1qas s GLU 351 Cb 0.00 -3.25 -0.03 0.00 -1.78 0.00 0.00 34.13 29.07 1qas s GLU 351 CO 0.00 -0.52 1.33 -1.25 -0.49 0.00 0.00 175.26 174.32 1qas s PRO 352 N 1.37 2.88 0.32 0.39 0.04 -1.26 -2.44 135.00 136.30 1qas s PRO 352 Ca -0.01 2.15 0.05 0.00 0.04 0.00 0.00 61.00 63.24 1qas s PRO 352 Cb -0.18 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 1qas s PRO 352 CO -0.00 -1.37 0.00 0.96 0.04 0.00 0.00 177.00 176.63 1qas s ILE 353 N -1.35 1.50 -0.05 0.56 -4.36 0.02 -2.06 121.20 115.45 1qas s ILE 353 Ca 0.77 -2.05 0.03 0.00 -0.26 0.00 0.00 60.65 59.14 1qas s ILE 353 Cb -0.39 -2.68 0.00 0.00 1.25 0.00 0.00 42.46 40.65 1qas s ILE 353 CO 0.44 -0.13 -0.15 -0.63 0.24 0.00 0.00 174.94 174.71 1qas s ILE 354 N -3.09 1.31 -0.04 8.37 1.01 0.14 -0.69 121.20 128.21 1qas s ILE 354 Ca 0.33 -0.62 -0.31 0.00 0.00 0.00 0.00 60.65 60.05 1qas s ILE 354 Cb 0.07 -1.15 0.13 0.00 0.01 0.00 0.00 42.46 41.51 1qas s ILE 354 CO 0.14 0.39 1.33 -0.72 0.00 0.00 0.00 174.94 176.08 1qas s TYR 355 N 0.32 -0.03 -0.48 3.97 1.13 -1.18 -1.38 117.35 119.70 1qas s TYR 355 Ca -0.09 -0.04 -0.24 0.00 -1.41 0.00 0.00 57.07 55.29 1qas s TYR 355 Cb -0.13 0.53 0.03 0.00 -1.10 0.00 0.00 41.96 41.29 1qas s TYR 355 CO 0.03 -0.19 0.87 -1.58 -2.51 0.00 0.00 175.55 172.17 1qas s HIS 356 N -2.30 2.92 0.20 -3.49 5.65 -1.26 -4.70 115.29 112.31 1qas s HIS 356 Ca 0.14 0.19 -0.30 0.00 0.25 0.00 0.00 55.06 55.34 1qas s HIS 356 Cb 0.06 -3.87 -0.16 0.00 -1.18 0.00 0.00 32.58 27.42 1qas s HIS 356 CO -0.05 -1.11 0.87 0.41 -0.65 0.00 0.00 174.74 174.21 1qas n GLY 357 N 5.00 -0.74 3.60 1.59 0.00 -1.26 -3.06 105.19 110.31 1qas n GLY 357 Ca 0.03 0.43 -0.24 0.00 0.00 0.00 0.00 46.02 46.24 1qas n GLY 357 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qas n TYR 358 N 0.58 -2.88 -4.09 1.61 4.01 -1.26 -5.01 117.16 110.13 1qas n TYR 358 Ca 0.15 1.02 -0.10 0.00 -0.16 0.00 0.00 57.90 58.80 1qas n TYR 358 Cb 0.25 -5.04 -0.07 0.00 -0.31 0.00 0.00 39.34 34.17 1qas n TYR 358 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1qas s THR 359 N -3.32 0.00 -0.66 -0.72 -4.23 -1.17 -5.04 115.64 100.50 1qas s THR 359 Ca 0.58 -1.67 0.05 0.00 -1.18 0.00 0.00 61.69 59.46 1qas s THR 359 Cb -0.25 -2.34 0.29 0.00 1.34 0.00 0.00 72.50 71.54 1qas s THR 359 CO 0.73 0.00 1.00 0.49 -0.54 0.00 0.00 174.62 176.30 1qas n PHE 360 N -0.34 0.81 -2.21 3.99 3.72 0.14 -4.92 117.46 118.65 1qas n PHE 360 Ca 0.00 -0.35 -0.41 0.00 -0.05 0.00 0.00 57.45 56.64 1qas n PHE 360 Cb 0.64 -0.28 -0.03 0.00 -0.94 0.00 0.00 39.48 38.87 1qas n PHE 360 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1qas s THR 361 N -1.59 3.03 0.60 4.37 -4.23 -0.95 -4.44 115.64 112.43 1qas s THR 361 Ca 0.20 0.95 -0.18 0.00 -1.18 0.00 0.00 61.69 61.47 1qas s THR 361 Cb 0.15 -3.60 -0.05 0.00 1.34 0.00 0.00 72.50 70.34 1qas s THR 361 CO 0.06 0.19 0.97 -0.24 -0.54 0.00 0.00 174.62 175.05 1qas n SER 362 N 1.68 0.78 -4.66 3.99 2.88 -0.41 -4.71 113.62 113.16 1qas n SER 362 Ca 0.03 0.80 -0.31 0.00 -1.33 0.00 0.00 58.87 58.06 1qas n SER 362 Cb 0.43 -1.39 -0.09 0.00 -0.75 0.00 0.00 64.21 62.41 1qas n SER 362 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1qas s LYS 363 N -2.77 2.57 0.05 -1.46 1.02 -1.26 -3.88 119.74 114.01 1qas s LYS 363 Ca 0.76 -0.78 -0.00 0.00 0.02 0.00 0.00 55.97 55.97 1qas s LYS 363 Cb -0.42 -2.55 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 1qas s LYS 363 CO 0.47 0.57 -0.04 0.96 -0.92 0.00 0.00 175.35 176.39 1qas s ILE 364 N -1.20 0.32 0.26 2.17 -4.36 -0.48 -4.96 121.20 112.94 1qas s ILE 364 Ca 0.23 -1.62 -0.30 0.00 -0.26 0.00 0.00 60.65 58.70 1qas s ILE 364 Cb -0.12 -1.26 -0.09 0.00 1.25 0.00 0.00 42.46 42.24 1qas s ILE 364 CO 0.14 -0.84 1.08 -0.76 0.24 0.00 0.00 174.94 174.81 1qas s LEU 365 N -2.59 4.55 0.24 0.37 1.43 -1.26 0.29 118.68 121.71 1qas s LEU 365 Ca 0.03 2.21 -0.05 0.00 -1.03 0.00 0.00 54.13 55.28 1qas s LEU 365 Cb 0.03 -3.62 0.33 0.00 0.03 0.00 0.00 46.19 42.96 1qas s LEU 365 CO -0.07 -0.13 1.87 0.15 0.23 0.00 0.00 176.35 178.40 1qas h PHE 366 N 4.09 1.05 -0.50 0.29 3.57 -1.70 -2.19 116.94 121.55 1qas h PHE 366 Ca -0.46 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 60.97 1qas h PHE 366 Cb 1.21 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 1qas h PHE 366 CO 0.60 0.56 -0.08 0.00 -2.23 0.00 0.00 178.31 177.15 1qas h ASP 368 N 0.82 -0.07 -0.92 0.00 3.32 -1.83 -2.20 116.42 115.54 1qas h ASP 368 Ca 0.14 -0.11 0.15 0.00 0.02 0.00 0.00 57.03 57.23 1qas h ASP 368 Cb 0.60 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 40.09 1qas h ASP 368 CO 0.04 0.06 0.59 0.58 -1.72 0.00 0.00 179.24 178.79 1qas h VAL 369 N -0.21 0.82 0.00 -1.35 2.07 -1.29 -0.58 116.25 115.72 1qas h VAL 369 Ca -0.01 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 1qas h VAL 369 Cb 0.18 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 1qas h VAL 369 CO 0.01 0.13 -0.54 -0.07 0.02 0.00 0.00 177.57 177.13 1qas h LEU 370 N 0.71 0.00 -0.16 2.57 3.38 -1.04 -1.53 115.31 119.24 1qas h LEU 370 Ca 0.47 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.26 1qas h LEU 370 Cb 0.75 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.50 1qas h LEU 370 CO -0.23 0.54 -0.59 0.03 0.09 0.00 0.00 178.44 178.28 1qas h ARG 371 N 0.00 0.69 0.19 1.13 3.08 -0.52 -0.63 114.38 118.32 1qas h ARG 371 Ca -0.01 -0.52 -0.01 0.00 0.07 0.00 0.00 59.98 59.51 1qas h ARG 371 Cb 1.08 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1qas h ARG 371 CO 0.07 1.14 -0.09 0.00 -1.07 0.00 0.00 179.97 180.02 1qas h ALA 372 N 0.55 -0.26 -0.92 0.04 0.00 -1.26 -1.60 119.26 115.81 1qas h ALA 372 Ca -0.03 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1qas h ALA 372 Cb 1.22 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1qas h ALA 372 CO 0.12 -0.62 0.61 0.82 0.00 0.00 0.00 179.25 180.18 1qas h ILE 373 N -0.32 1.18 -0.59 0.00 2.04 -1.30 -1.93 117.51 116.60 1qas h ILE 373 Ca -0.03 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1qas h ILE 373 Cb 0.24 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.19 1qas h ILE 373 CO 0.04 0.22 0.27 -0.09 0.00 0.00 0.00 178.15 178.59 1qas h ARG 374 N 1.19 0.85 -0.43 2.37 2.43 -0.80 0.18 114.38 120.16 1qas h ARG 374 Ca 0.36 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 59.28 1qas h ARG 374 Cb -0.03 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1qas h ARG 374 CO -0.10 0.70 -0.19 -0.44 -1.51 0.00 0.00 179.97 178.44 1qas h ASP 375 N 0.80 0.86 -0.01 -3.80 3.32 -0.80 -3.34 116.42 113.44 1qas h ASP 375 Ca 0.20 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1qas h ASP 375 Cb 0.14 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1qas h ASP 375 CO -0.02 1.03 -0.18 -1.22 -1.72 0.00 0.00 179.24 177.13 1qas n TYR 376 N -4.12 0.00 -0.31 4.55 4.02 -0.77 -4.74 117.16 115.79 1qas n TYR 376 Ca 0.01 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.04 1qas n TYR 376 Cb 0.42 0.00 0.32 0.00 -0.02 0.00 0.00 39.34 40.06 1qas n TYR 376 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1qas h ALA 377 N 2.39 1.43 -0.03 -0.72 0.00 -1.09 -2.54 119.26 118.71 1qas h ALA 377 Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1qas h ALA 377 Cb 0.48 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1qas h ALA 377 CO 0.00 -0.43 -0.10 1.19 0.00 0.00 0.00 179.25 179.91 1qas n PHE 378 N -5.13 0.11 -0.07 0.00 3.72 -1.26 -4.68 117.46 110.16 1qas n PHE 378 Ca 0.23 -1.11 -0.11 0.00 -0.05 0.00 0.00 57.45 56.41 1qas n PHE 378 Cb 0.71 -0.19 -0.05 0.00 -0.94 0.00 0.00 39.48 39.01 1qas n PHE 378 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1qas h LYS 379 N 0.37 0.36 0.00 -1.08 1.79 -1.74 -3.26 116.57 113.01 1qas h LYS 379 Ca 0.01 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1qas h LYS 379 Cb 1.06 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.67 1qas h LYS 379 CO 0.03 0.52 -0.94 0.00 -1.08 0.00 0.00 179.45 177.97 1qas n ALA 380 N -2.31 3.81 -3.59 3.86 0.00 -1.26 -4.96 120.51 116.06 1qas n ALA 380 Ca -0.04 -0.45 -0.12 0.00 0.00 0.00 0.00 53.44 52.83 1qas n ALA 380 Cb 0.20 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 1qas n ALA 380 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1qas s SER 381 N -3.48 -0.50 0.00 0.00 0.15 -1.23 -4.69 113.70 103.96 1qas s SER 381 Ca 0.06 0.76 0.27 0.00 0.70 0.00 0.00 55.95 57.74 1qas s SER 381 Cb 0.16 0.70 0.83 0.00 -1.71 0.00 0.00 66.02 66.00 1qas s SER 381 CO 0.80 -0.31 1.62 -0.81 1.20 0.00 0.00 173.24 175.74 1qas n PRO 382 N 1.53 0.42 -2.48 5.44 -0.04 -1.26 -4.10 135.00 134.51 1qas n PRO 382 Ca -0.13 -0.20 -0.34 0.00 -0.04 0.00 0.00 63.50 62.79 1qas n PRO 382 Cb 0.57 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 1qas n PRO 382 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1qas s TYR 383 N -2.72 3.05 0.26 0.54 2.02 -1.26 -0.53 117.35 118.70 1qas s TYR 383 Ca 0.20 1.56 -0.30 0.00 -0.37 0.00 0.00 57.07 58.16 1qas s TYR 383 Cb 0.19 -3.02 -0.14 0.00 -0.40 0.00 0.00 41.96 38.59 1qas s TYR 383 CO 0.57 -0.79 1.17 -0.35 -1.57 0.00 0.00 175.55 174.59 1qas n PRO 384 N -1.15 1.55 -4.22 -1.71 -0.04 -1.23 -4.67 135.00 123.52 1qas n PRO 384 Ca 0.09 0.55 -0.35 0.00 -0.04 0.00 0.00 63.50 63.75 1qas n PRO 384 Cb 0.53 -2.04 -0.09 0.00 -0.04 0.00 0.00 33.50 31.86 1qas n PRO 384 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1qas s VAL 385 N -0.64 4.57 -0.17 0.52 -7.23 -1.08 -4.85 120.40 111.53 1qas s VAL 385 Ca 0.64 -0.14 -0.05 0.00 -1.81 0.00 0.00 61.98 60.61 1qas s VAL 385 Cb -0.71 -2.97 -0.03 0.00 0.56 0.00 0.00 36.38 33.23 1qas s VAL 385 CO 0.56 0.57 0.01 -0.63 -0.31 0.00 0.00 175.10 175.31 1qas s ILE 386 N -0.59 4.32 -0.42 -0.62 1.01 0.22 -1.46 121.20 123.66 1qas s ILE 386 Ca 0.10 -0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 1qas s ILE 386 Cb -0.12 -2.92 0.07 0.00 0.01 0.00 0.00 42.46 39.50 1qas s ILE 386 CO 0.02 0.48 0.26 -0.76 0.00 0.00 0.00 174.94 174.94 1qas s LEU 387 N 0.38 5.14 -0.39 2.97 1.43 0.16 -1.15 118.68 127.23 1qas s LEU 387 Ca -0.01 -1.44 -0.26 0.00 -1.03 0.00 0.00 54.13 51.39 1qas s LEU 387 Cb -0.13 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.10 1qas s LEU 387 CO 0.02 -0.53 0.94 -0.94 0.23 0.00 0.00 176.35 176.06 1qas s SER 388 N 2.09 6.65 -0.19 2.29 1.04 0.49 -0.94 113.70 125.14 1qas s SER 388 Ca 0.03 0.51 -0.13 0.00 0.48 0.00 0.00 55.95 56.84 1qas s SER 388 Cb -0.23 -2.47 -0.05 0.00 0.10 0.00 0.00 66.02 63.38 1qas s SER 388 CO 0.03 -0.90 0.26 -0.76 0.98 0.00 0.00 173.24 172.84 1qas s LEU 389 N 3.56 4.20 -0.55 2.42 1.43 0.55 -1.04 118.68 129.25 1qas s LEU 389 Ca 0.38 0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 53.85 1qas s LEU 389 Cb -0.11 -2.30 0.14 0.00 0.03 0.00 0.00 46.19 43.95 1qas s LEU 389 CO 0.20 0.08 0.35 -0.70 0.23 0.00 0.00 176.35 176.51 1qas s GLU 390 N 0.70 2.34 -0.18 1.70 2.12 -0.16 -4.48 118.70 120.75 1qas s GLU 390 Ca 0.14 -2.32 -0.27 0.00 0.36 0.00 0.00 54.97 52.88 1qas s GLU 390 Cb -0.13 -3.65 -0.01 0.00 0.26 0.00 0.00 34.13 30.60 1qas s GLU 390 CO 0.03 -1.14 0.90 1.21 -0.54 0.00 0.00 175.26 175.73 1qas s ASN 391 N 0.96 7.02 0.00 -1.70 3.04 -1.26 -0.93 114.94 122.07 1qas s ASN 391 Ca 0.14 1.26 0.00 0.00 0.04 0.00 0.00 52.86 54.30 1qas s ASN 391 Cb -0.21 -2.49 0.00 0.00 -1.54 0.00 0.00 41.25 37.01 1qas s ASN 391 CO -0.03 -0.47 0.55 1.41 -3.04 0.00 0.00 177.10 175.52 1qas n HIS 392 N 5.48 0.00 -1.71 0.43 8.25 0.54 -4.98 115.22 123.23 1qas n HIS 392 Ca 0.07 -0.13 -0.33 0.00 -0.26 0.00 0.00 57.72 57.07 1qas n HIS 392 Cb 0.48 -0.01 0.05 0.00 1.12 0.00 0.00 29.99 31.63 1qas n HIS 392 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qas s SER 394 N -2.67 3.18 0.52 0.00 1.04 -1.26 -4.72 113.70 109.78 1qas s SER 394 Ca 0.66 0.98 0.22 0.00 0.48 0.00 0.00 55.95 58.29 1qas s SER 394 Cb -0.20 -1.54 1.40 0.00 0.10 0.00 0.00 66.02 65.78 1qas s SER 394 CO 0.43 -2.76 2.13 -0.07 0.98 0.00 0.00 173.24 173.94 1qas h LEU 395 N -1.64 0.00 0.08 2.42 3.38 -1.95 0.28 115.31 117.88 1qas h LEU 395 Ca -0.51 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.20 1qas h LEU 395 Cb 1.33 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.10 1qas h LEU 395 CO 0.59 0.07 -1.05 -0.08 0.09 0.00 0.00 178.44 178.06 1qas h GLU 396 N 0.00 0.57 0.00 1.13 4.57 -2.00 -3.02 114.58 115.82 1qas h GLU 396 Ca -0.00 -0.72 -0.04 0.00 -1.18 0.00 0.00 59.36 57.42 1qas h GLU 396 Cb 0.15 0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1qas h GLU 396 CO 0.01 1.31 -0.18 1.96 -1.18 0.00 0.00 179.01 180.93 1qas h GLN 397 N 0.15 0.00 -0.25 1.92 4.20 -1.78 -2.74 115.11 116.62 1qas h GLN 397 Ca -0.16 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.45 1qas h GLN 397 Cb 1.75 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.51 1qas h GLN 397 CO 0.20 0.18 -0.27 1.96 -0.67 0.00 0.00 178.83 180.23 1qas h GLN 398 N 0.00 0.49 -0.36 1.46 4.20 -0.97 -0.01 115.11 119.92 1qas h GLN 398 Ca -0.00 -0.19 -0.12 0.00 0.06 0.00 0.00 58.65 58.39 1qas h GLN 398 Cb 0.88 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 1qas h GLN 398 CO 0.02 0.72 -0.28 0.00 -0.67 0.00 0.00 178.83 178.62 1qas h ARG 399 N 0.43 0.75 -0.61 1.46 3.08 -1.36 -0.51 114.38 117.61 1qas h ARG 399 Ca 0.06 -0.33 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 1qas h ARG 399 Cb 0.70 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 1qas h ARG 399 CO 0.05 0.94 0.22 0.28 -1.07 0.00 0.00 179.97 180.39 1qas h VAL 400 N 0.64 1.24 0.23 2.04 2.07 -1.10 -1.10 116.25 120.26 1qas h VAL 400 Ca 0.08 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1qas h VAL 400 Cb 0.80 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1qas h VAL 400 CO 0.07 0.30 -0.19 0.24 0.02 0.00 0.00 177.57 178.01 1qas h MET 401 N 0.86 -0.41 -0.81 1.57 2.86 -0.72 -1.36 114.93 116.91 1qas h MET 401 Ca 0.20 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.93 1qas h MET 401 Cb 0.25 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.94 1qas h MET 401 CO -0.01 -0.27 0.50 0.00 1.06 0.00 0.00 176.91 178.18 1qas h ALA 402 N 0.31 1.12 -0.66 6.32 0.00 -0.91 0.13 119.26 125.55 1qas h ALA 402 Ca -0.01 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1qas h ALA 402 Cb 0.39 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1qas h ALA 402 CO -0.02 0.22 0.10 0.00 0.00 0.00 0.00 179.25 179.55 1qas h ARG 403 N 0.90 1.10 -0.47 0.00 2.47 -0.96 -1.94 114.38 115.49 1qas h ARG 403 Ca 0.36 -0.30 -0.12 0.00 -1.26 0.00 0.00 59.98 58.66 1qas h ARG 403 Cb 0.18 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 1qas h ARG 403 CO -0.18 1.02 -0.19 0.45 0.56 0.00 0.00 179.97 181.63 1qas h HIS 404 N 1.03 1.06 0.31 3.04 3.86 -0.68 0.34 115.15 124.11 1qas h HIS 404 Ca 0.20 -0.24 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1qas h HIS 404 Cb 0.45 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.67 1qas h HIS 404 CO 0.03 1.03 -0.18 -0.07 0.86 0.00 0.00 177.93 179.61 1qas h LEU 405 N 0.82 -0.45 -0.77 2.43 3.38 -0.77 0.40 115.31 120.35 1qas h LEU 405 Ca 0.11 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 1qas h LEU 405 Cb 0.74 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1qas h LEU 405 CO 0.06 -0.29 -0.32 0.03 0.09 0.00 0.00 178.44 178.00 1qas h ARG 406 N -0.46 0.56 0.10 1.13 3.08 -1.35 -0.06 114.38 117.37 1qas h ARG 406 Ca -0.03 -0.25 -0.28 0.00 0.07 0.00 0.00 59.98 59.49 1qas h ARG 406 Cb 0.38 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.43 1qas h ARG 406 CO 0.04 0.81 -1.19 0.00 -1.07 0.00 0.00 179.97 178.56 1qas h ALA 407 N 1.17 0.10 0.03 0.04 0.00 -0.79 -2.35 119.26 117.46 1qas h ALA 407 Ca 0.06 -0.79 -0.16 0.00 0.00 0.00 0.00 54.91 54.01 1qas h ALA 407 Cb 0.80 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1qas h ALA 407 CO 0.06 0.79 -0.85 0.82 0.00 0.00 0.00 179.25 180.07 1qas h ILE 408 N 0.21 1.27 -0.01 0.00 2.04 -0.19 -3.38 117.51 117.44 1qas h ILE 408 Ca -0.15 -2.30 -0.20 0.00 1.00 0.00 0.00 64.86 63.20 1qas h ILE 408 Cb 1.87 2.78 -0.01 0.00 -0.74 0.00 0.00 36.82 40.72 1qas h ILE 408 CO 0.22 0.52 -0.86 -0.07 0.00 0.00 0.00 178.15 177.96 1qas h LEU 409 N -0.81 0.38 0.00 1.44 3.38 -1.12 -3.48 115.31 115.10 1qas h LEU 409 Ca -0.21 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1qas h LEU 409 Cb 1.32 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1qas h LEU 409 CO -0.06 1.08 0.00 0.61 0.09 0.00 0.00 178.44 180.16 1qas n GLY 410 N 0.81 3.06 0.30 0.83 0.00 -0.89 -2.34 105.19 106.96 1qas n GLY 410 Ca -0.05 -0.26 0.17 0.00 0.00 0.00 0.00 46.02 45.88 1qas n GLY 410 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qas h PRO 411 N 0.00 0.00 -0.82 1.61 0.13 -1.93 -2.26 132.00 128.73 1qas h PRO 411 Ca 0.00 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.25 1qas h PRO 411 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 1qas h PRO 411 CO 0.00 0.04 0.53 0.82 -0.23 0.00 0.00 178.00 179.16 1qas h ILE 412 N 0.00 0.89 -3.23 -3.56 2.04 -1.73 -3.42 117.51 108.50 1qas h ILE 412 Ca -0.00 -0.23 -0.53 0.00 1.00 0.00 0.00 64.86 65.10 1qas h ILE 412 Cb 0.15 0.16 0.03 0.00 -0.74 0.00 0.00 36.82 36.42 1qas h ILE 412 CO 0.01 0.12 0.67 -0.22 0.00 0.00 0.00 178.15 178.72 1qas s LEU 413 N -9.70 4.40 -0.77 1.44 2.96 -0.85 -1.76 118.68 114.39 1qas s LEU 413 Ca -0.10 2.33 -0.22 0.00 -0.22 0.00 0.00 54.13 55.92 1qas s LEU 413 Cb 0.21 -3.60 0.08 0.00 0.50 0.00 0.00 46.19 43.38 1qas s LEU 413 CO 0.78 -0.56 1.11 -0.22 -1.32 0.00 0.00 176.35 176.14 1qas s LEU 414 N 0.44 4.24 0.11 -0.68 2.96 -0.36 -4.80 118.68 120.59 1qas s LEU 414 Ca 0.60 -1.20 0.19 0.00 -0.22 0.00 0.00 54.13 53.50 1qas s LEU 414 Cb -0.36 -2.45 -0.09 0.00 0.50 0.00 0.00 46.19 43.78 1qas s LEU 414 CO 0.34 -1.43 0.88 -0.90 -1.32 0.00 0.00 176.35 173.93 1qas n ASP 415 N 7.85 0.83 -4.24 3.68 5.75 -1.26 -4.78 116.55 124.38 1qas n ASP 415 Ca 0.08 0.35 -0.19 0.00 -0.01 0.00 0.00 54.79 55.02 1qas n ASP 415 Cb 0.47 0.31 -0.11 0.00 -1.03 0.00 0.00 41.12 40.76 1qas n ASP 415 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1qas s GLN 416 N -3.09 1.02 0.92 0.11 -0.21 -1.26 -4.74 119.66 112.41 1qas s GLN 416 Ca -0.02 -1.20 -0.11 0.00 0.02 0.00 0.00 55.36 54.05 1qas s GLN 416 Cb 0.09 -0.98 0.14 0.00 1.00 0.00 0.00 33.01 33.26 1qas s GLN 416 CO 0.81 0.20 1.09 -1.25 -2.12 0.00 0.00 175.29 174.02 1qas s PRO 417 N -2.44 1.06 -0.05 2.91 0.04 -1.26 -5.01 135.00 130.25 1qas s PRO 417 Ca 0.07 0.98 -0.17 0.00 0.04 0.00 0.00 61.00 61.92 1qas s PRO 417 Cb -0.06 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 1qas s PRO 417 CO 0.03 -2.42 0.48 -0.51 0.04 0.00 0.00 177.00 174.62 1qas s LEU 418 N -6.37 4.38 0.40 -3.56 1.43 -1.26 -5.04 118.68 108.65 1qas s LEU 418 Ca 0.64 0.94 -0.27 0.00 -1.03 0.00 0.00 54.13 54.42 1qas s LEU 418 Cb -0.19 -2.70 -0.09 0.00 0.03 0.00 0.00 46.19 43.23 1qas s LEU 418 CO 0.58 0.14 1.36 -0.62 0.23 0.00 0.00 176.35 178.04 1qas s ASP 419 N -0.16 6.30 0.00 2.29 2.15 -1.26 -2.74 116.67 123.24 1qas s ASP 419 Ca 0.26 2.78 0.00 0.00 0.43 0.00 0.00 52.55 56.02 1qas s ASP 419 Cb -0.16 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.81 1qas s ASP 419 CO 0.13 -0.87 0.00 0.61 -0.17 0.00 0.00 175.17 174.87 1qas n GLY 420 N 0.64 2.30 3.61 2.66 0.00 -1.26 -4.98 105.19 108.16 1qas n GLY 420 Ca 0.03 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 1qas n GLY 420 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qas s VAL 421 N -0.76 3.98 0.00 1.61 1.01 -1.11 -4.62 120.40 120.51 1qas s VAL 421 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1qas s VAL 421 Cb 0.00 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1qas s VAL 421 CO 0.00 -0.60 0.00 0.35 0.00 0.00 0.00 175.10 174.85 1qas n THR 422 N 6.68 0.00 -0.01 3.92 -2.24 -1.26 -4.78 114.28 116.59 1qas n THR 422 Ca 0.16 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.03 1qas n THR 422 Cb 0.47 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.55 1qas n THR 422 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1qas n THR 423 N -0.26 0.08 -3.98 4.28 5.66 -1.26 -5.04 114.28 113.76 1qas n THR 423 Ca 0.00 -0.48 -0.09 0.00 -3.05 0.00 0.00 64.05 60.42 1qas n THR 423 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.73 1qas n THR 423 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1qas s SER 424 N -4.38 -0.06 0.40 1.09 0.01 -1.26 -4.87 113.70 104.62 1qas s SER 424 Ca -0.07 -0.92 -0.27 0.00 1.31 0.00 0.00 55.95 56.00 1qas s SER 424 Cb 0.12 0.54 -0.09 0.00 0.21 0.00 0.00 66.02 66.80 1qas s SER 424 CO 0.83 -1.06 1.37 -0.76 0.41 0.00 0.00 173.24 174.03 1qas s LEU 425 N -3.01 4.25 0.00 2.44 1.43 -1.26 -4.91 118.68 117.62 1qas s LEU 425 Ca 0.22 2.81 -0.15 0.00 -1.03 0.00 0.00 54.13 55.97 1qas s LEU 425 Cb 0.01 -3.82 0.23 0.00 0.03 0.00 0.00 46.19 42.64 1qas s LEU 425 CO 0.06 -0.88 0.62 -0.81 0.23 0.00 0.00 176.35 175.58 1qas n PRO 426 N 0.24 -3.32 -3.66 1.29 -0.04 -1.26 -4.29 135.00 123.96 1qas n PRO 426 Ca 0.03 -1.02 -0.20 0.00 -0.04 0.00 0.00 63.50 62.27 1qas n PRO 426 Cb 0.42 -1.17 -0.02 0.00 -0.04 0.00 0.00 33.50 32.69 1qas n PRO 426 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1qas s SER 427 N -2.99 5.57 0.32 3.54 1.04 -1.26 -1.74 113.70 118.19 1qas s SER 427 Ca 0.45 -0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.52 1qas s SER 427 Cb -0.06 -1.07 0.55 0.00 0.10 0.00 0.00 66.02 65.54 1qas s SER 427 CO 0.36 -0.40 1.91 -0.65 0.98 0.00 0.00 173.24 175.44 1qas h PRO 428 N 1.09 0.73 -0.77 4.02 0.11 -1.69 -1.94 132.00 133.56 1qas h PRO 428 Ca -0.45 -0.11 0.01 0.00 0.11 0.00 0.00 66.00 65.56 1qas h PRO 428 Cb 1.26 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1qas h PRO 428 CO 0.56 0.61 0.50 0.93 -0.21 0.00 0.00 178.00 180.40 1qas h GLU 429 N 0.73 0.99 0.00 1.05 4.39 -1.52 -2.68 114.58 117.53 1qas h GLU 429 Ca 0.17 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 1qas h GLU 429 Cb 0.16 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1qas h GLU 429 CO -0.01 0.65 -0.15 1.96 -1.16 0.00 0.00 179.01 180.30 1qas h GLN 430 N 1.02 0.00 -0.47 2.33 4.20 -1.61 -3.08 115.11 117.50 1qas h GLN 430 Ca 0.29 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.82 1qas h GLN 430 Cb -0.09 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 27.58 1qas h GLN 430 CO -0.07 0.15 0.09 1.28 -0.67 0.00 0.00 178.83 179.61 1qas n LEU 431 N -3.66 4.69 -4.75 1.46 4.77 -1.02 -4.97 117.00 113.52 1qas n LEU 431 Ca -0.02 -3.47 -0.41 0.00 -0.03 0.00 0.00 56.01 52.08 1qas n LEU 431 Cb 0.27 -0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 1qas n LEU 431 CO 0.31 1.01 1.08 -0.54 -1.33 0.00 0.00 177.39 177.92 1qas s LYS 432 N -3.11 4.28 -0.38 3.23 1.02 -1.14 -2.22 119.74 121.42 1qas s LYS 432 Ca 0.47 2.30 0.00 0.00 0.02 0.00 0.00 55.97 58.76 1qas s LYS 432 Cb 0.40 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 1qas s LYS 432 CO 0.06 -0.38 0.00 0.41 -0.92 0.00 0.00 175.35 174.52 1qas n GLY 433 N 1.80 0.61 3.51 -3.33 0.00 0.31 -4.93 105.19 103.16 1qas n GLY 433 Ca 0.05 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 1qas n GLY 433 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qas s LYS 434 N -1.61 1.82 -0.11 1.61 2.47 -0.94 -4.65 119.74 118.33 1qas s LYS 434 Ca 0.00 -1.48 0.02 0.00 -1.56 0.00 0.00 55.97 52.95 1qas s LYS 434 Cb 0.00 -1.97 0.01 0.00 -1.46 0.00 0.00 37.83 34.41 1qas s LYS 434 CO 0.00 0.39 -0.16 0.42 0.16 0.00 0.00 175.35 176.16 1qas s ILE 435 N -1.92 1.57 0.14 5.43 1.01 -0.72 -2.62 121.20 124.09 1qas s ILE 435 Ca 0.25 -0.70 0.09 0.00 0.00 0.00 0.00 60.65 60.29 1qas s ILE 435 Cb -0.07 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 1qas s ILE 435 CO 0.14 0.46 -0.15 -1.48 0.00 0.00 0.00 174.94 173.91 1qas s LEU 436 N 0.90 2.82 0.03 2.97 2.34 -0.54 -1.23 118.68 125.97 1qas s LEU 436 Ca -0.08 -0.55 -0.01 0.00 0.06 0.00 0.00 54.13 53.55 1qas s LEU 436 Cb -0.15 -1.60 -0.04 0.00 -0.56 0.00 0.00 46.19 43.83 1qas s LEU 436 CO -0.00 0.16 0.18 -0.76 -1.06 0.00 0.00 176.35 174.86 1qas s LEU 437 N -2.37 4.29 -0.06 1.48 1.43 -1.26 -0.66 118.68 121.53 1qas s LEU 437 Ca 0.21 0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.62 1qas s LEU 437 Cb -0.10 -2.76 -0.00 0.00 0.03 0.00 0.00 46.19 43.36 1qas s LEU 437 CO 0.12 0.21 -0.22 -0.75 0.23 0.00 0.00 176.35 175.94 1qas s LYS 438 N -2.25 2.37 0.00 1.70 2.36 -0.11 -4.08 119.74 119.72 1qas s LYS 438 Ca 0.31 -0.78 0.00 0.00 -2.55 0.00 0.00 55.97 52.95 1qas s LYS 438 Cb -0.13 -1.96 0.00 0.00 -1.05 0.00 0.00 37.83 34.69 1qas s LYS 438 CO 0.23 0.27 0.00 0.41 1.55 0.00 0.00 175.35 177.82 1qas n GLY 439 N 3.18 -1.61 3.77 5.54 0.00 -0.95 -0.33 105.19 114.79 1qas n GLY 439 Ca -0.18 -1.14 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 1qas n GLY 439 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qas s LYS 440 N -1.55 4.35 0.08 1.61 -0.14 -1.26 0.31 119.74 123.13 1qas s LYS 440 Ca 0.00 1.94 0.09 0.00 -1.36 0.00 0.00 55.97 56.64 1qas s LYS 440 Cb 0.00 -2.97 -0.03 0.00 -1.68 0.00 0.00 37.83 33.15 1qas s LYS 440 CO 0.00 -0.09 -0.24 0.21 -0.76 0.00 0.00 175.35 174.47 1qas s LYS 441 N -1.86 1.43 0.29 1.68 2.20 -1.26 -4.70 119.74 117.52 1qas s LYS 441 Ca 0.50 -1.14 0.07 0.00 -0.36 0.00 0.00 55.97 55.04 1qas s LYS 441 Cb -0.34 -1.70 0.44 0.00 -1.51 0.00 0.00 37.83 34.72 1qas s LYS 441 CO 0.44 0.42 1.68 -0.07 -0.36 0.00 0.00 175.35 177.46 1qas h LEU 442 N 4.42 0.22 0.00 5.43 3.38 -1.94 -3.41 115.31 123.41 1qas h LEU 442 Ca -0.46 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1qas h LEU 442 Cb 1.16 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1qas h LEU 442 CO 0.42 0.65 0.00 0.61 0.09 0.00 0.00 178.44 180.20 1qas n GLY 443 N -0.11 0.00 3.42 0.83 0.00 -1.26 -4.86 105.19 103.21 1qas n GLY 443 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1qas n GLY 443 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qas n GLY 444 N 0.00 0.15 3.30 -0.02 0.00 -1.26 -5.24 105.19 102.11 1qas n GLY 444 Ca 0.00 1.10 -0.27 0.00 0.00 0.00 0.00 46.02 46.86 1qas n GLY 444 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1qas n LEU 445 N -0.25 0.20 0.00 0.99 -0.00 -1.26 -5.24 117.00 111.44 1qas n LEU 445 Ca -0.09 -1.12 0.00 0.00 -0.00 0.00 0.00 56.01 54.79 1qas n LEU 445 Cb 0.66 -0.32 0.00 0.00 -0.00 0.00 0.00 43.42 43.76 1qas n LEU 445 CO 0.54 -1.63 0.00 0.29 -0.00 0.00 0.00 177.39 176.59 1qas n LYS 485 N 6.22 0.00 0.09 1.96 4.01 -0.83 -5.31 118.16 124.30 1qas n LYS 485 Ca 0.28 0.00 -0.21 0.00 -0.51 0.00 0.00 58.31 57.88 1qas n LYS 485 Cb 0.35 0.00 -0.12 0.00 -0.51 0.00 0.00 35.03 34.76 1qas n LYS 485 CO 0.00 0.00 0.00 1.37 -1.11 0.00 0.00 177.40 177.66 1qas h LEU 486 N 0.00 0.80 0.00 -0.35 -0.00 -2.04 -3.40 115.31 110.31 1qas h LEU 486 Ca 0.00 -0.73 0.00 0.00 -0.00 0.00 0.00 57.88 57.15 1qas h LEU 486 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.41 1qas h LEU 486 CO 0.00 1.54 -0.67 1.17 -0.00 0.00 0.00 178.44 180.48 1qas n LYS 487 N -3.76 1.99 -3.74 0.17 4.81 -1.26 -5.01 118.16 111.36 1qas n LYS 487 Ca -0.12 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.10 1qas n LYS 487 Cb 0.97 -0.84 -0.18 0.00 0.02 0.00 0.00 35.03 35.01 1qas n LYS 487 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1qas s LEU 488 N -2.03 0.44 0.32 3.14 2.96 -1.26 -4.82 118.68 117.43 1qas s LEU 488 Ca 0.00 -0.03 -0.29 0.00 -0.22 0.00 0.00 54.13 53.60 1qas s LEU 488 Cb 0.00 -0.34 -0.10 0.00 0.50 0.00 0.00 46.19 46.26 1qas s LEU 488 CO 0.00 -0.21 1.19 0.68 -1.32 0.00 0.00 176.35 176.68 1qas s VAL 489 N 2.03 3.16 0.41 1.68 -7.23 -1.26 -1.96 120.40 117.23 1qas s VAL 489 Ca 0.05 1.14 0.19 0.00 -1.81 0.00 0.00 61.98 61.55 1qas s VAL 489 Cb -0.12 -3.71 0.40 0.00 0.56 0.00 0.00 36.38 33.50 1qas s VAL 489 CO -0.04 0.25 1.80 -0.65 -0.31 0.00 0.00 175.10 176.15 1qas h PRO 490 N 3.48 0.37 -0.30 4.82 0.11 -1.98 -1.24 132.00 137.26 1qas h PRO 490 Ca -0.48 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.68 1qas h PRO 490 Cb 1.22 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 32.18 1qas h PRO 490 CO 0.66 0.24 -0.16 0.93 -0.21 0.00 0.00 178.00 179.46 1qas h GLU 491 N 0.38 -0.11 0.15 1.05 3.07 -1.96 -0.11 114.58 117.04 1qas h GLU 491 Ca 0.55 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.41 1qas h GLU 491 Cb 1.43 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.37 1qas h GLU 491 CO -0.23 -0.08 -0.07 -0.07 -1.40 0.00 0.00 179.01 177.16 1qas h LEU 492 N -0.12 -0.17 -0.96 1.33 3.38 -1.53 -3.35 115.31 113.90 1qas h LEU 492 Ca 0.16 -0.34 0.24 0.00 0.09 0.00 0.00 57.88 58.03 1qas h LEU 492 Cb 0.36 0.04 -0.13 0.00 0.09 0.00 0.00 40.66 41.02 1qas h LEU 492 CO -0.38 0.41 0.51 -1.28 0.09 0.00 0.00 178.44 177.80 1qas h SER 493 N -0.92 0.52 0.42 -0.43 0.87 -1.39 0.65 113.55 113.27 1qas h SER 493 Ca -0.02 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1qas h SER 493 Cb 0.50 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1qas h SER 493 CO 0.03 0.05 0.00 0.47 -0.53 0.00 0.00 176.83 176.85 1qas n ASP 494 N -4.96 0.65 -0.23 6.23 9.92 -0.06 -1.82 116.55 126.28 1qas n ASP 494 Ca 0.25 0.71 0.13 0.00 -0.53 0.00 0.00 54.79 55.36 1qas n ASP 494 Cb 0.72 -0.83 0.39 0.00 -0.64 0.00 0.00 41.12 40.76 1qas n ASP 494 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1qas n MET 495 N -2.27 0.81 -3.16 -1.24 2.81 0.22 -4.70 117.12 109.59 1qas n MET 495 Ca 0.01 -0.47 -0.44 0.00 -1.81 0.00 0.00 57.70 54.99 1qas n MET 495 Cb 0.15 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.10 1qas n MET 495 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1qas s ILE 496 N -2.51 4.88 -0.12 2.02 -1.09 -0.75 -4.29 121.20 119.33 1qas s ILE 496 Ca 0.24 -0.44 -0.10 0.00 -2.23 0.00 0.00 60.65 58.12 1qas s ILE 496 Cb 0.19 -4.28 -0.05 0.00 -1.58 0.00 0.00 42.46 36.73 1qas s ILE 496 CO 0.52 -0.78 -0.22 -0.38 -1.23 0.00 0.00 174.94 172.85 1qas n ILE 497 N 5.63 1.20 0.51 2.92 5.41 -1.26 -4.86 119.36 128.90 1qas n ILE 497 Ca -0.06 0.03 0.06 0.00 1.00 0.00 0.00 62.75 63.77 1qas n ILE 497 Cb 0.46 -1.92 -0.07 0.00 -0.71 0.00 0.00 39.64 37.39 1qas n ILE 497 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1qas n TYR 498 N -3.95 0.00 -2.89 1.39 4.01 -1.26 -4.72 117.16 109.74 1qas n TYR 498 Ca -0.20 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.28 1qas n TYR 498 Cb 0.51 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.47 1qas n TYR 498 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qas s LYS 500 N -3.43 4.06 0.00 0.00 2.20 0.38 -2.24 119.74 120.70 1qas s LYS 500 Ca 0.48 1.83 -0.30 0.00 -0.36 0.00 0.00 55.97 57.62 1qas s LYS 500 Cb 0.30 -3.94 -0.05 0.00 -1.51 0.00 0.00 37.83 32.63 1qas s LYS 500 CO -0.14 -0.97 1.34 0.45 -0.36 0.00 0.00 175.35 175.67 1qas s SER 501 N 3.24 6.91 0.10 1.43 0.15 0.15 0.09 113.70 125.75 1qas s SER 501 Ca 0.67 2.06 0.01 0.00 0.70 0.00 0.00 55.95 59.39 1qas s SER 501 Cb -0.27 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.44 1qas s SER 501 CO 0.25 -0.67 -0.05 0.68 1.20 0.00 0.00 173.24 174.65 1qas s VAL 502 N 2.14 0.59 0.34 4.45 -7.23 -0.66 -4.57 120.40 115.46 1qas s VAL 502 Ca 0.62 -1.92 -0.15 0.00 -1.81 0.00 0.00 61.98 58.72 1qas s VAL 502 Cb -0.30 -1.70 -0.09 0.00 0.56 0.00 0.00 36.38 34.85 1qas s VAL 502 CO 0.26 -0.85 0.76 -1.00 -0.31 0.00 0.00 175.10 173.96 1qas s HIS 503 N -3.69 3.38 -0.31 2.82 3.76 -1.26 -4.16 115.29 115.83 1qas s HIS 503 Ca 0.12 1.23 -0.29 0.00 -0.15 0.00 0.00 55.06 55.97 1qas s HIS 503 Cb 0.06 -2.55 0.01 0.00 1.11 0.00 0.00 32.58 31.21 1qas s HIS 503 CO -0.05 0.05 1.14 0.12 -0.85 0.00 0.00 174.74 175.15 1qas s PHE 504 N -2.06 3.01 -0.47 1.40 5.36 -1.26 -4.92 117.98 119.03 1qas s PHE 504 Ca 0.55 1.09 0.03 0.00 -0.96 0.00 0.00 56.93 57.64 1qas s PHE 504 Cb -0.10 -3.76 0.53 0.00 -0.34 0.00 0.00 43.02 39.34 1qas s PHE 504 CO 0.19 -1.07 1.76 0.41 -1.46 0.00 0.00 175.22 175.06 1qas n GLY 505 N 4.00 5.35 0.00 13.12 0.00 -1.26 -5.05 105.19 121.35 1qas n GLY 505 Ca 0.13 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1qas n GLY 505 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qas n GLY 506 N -1.00 -1.28 0.00 -0.02 0.00 -1.26 -5.03 105.19 96.60 1qas n GLY 506 Ca 0.53 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1qas n GLY 506 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qas n PHE 507 N -1.23 0.00 0.00 1.61 3.72 -1.26 -4.90 117.46 115.39 1qas n PHE 507 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1qas n PHE 507 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1qas n PHE 507 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1qas n SER 508 N 0.00 0.00 -4.38 4.37 7.64 -1.26 -4.95 113.62 115.03 1qas n SER 508 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 1qas n SER 508 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 1qas n SER 508 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1qas s SER 509 N 0.00 3.42 0.00 6.43 0.15 -1.26 -4.64 113.70 117.80 1qas s SER 509 Ca 0.00 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1qas s SER 509 Cb 0.00 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 1qas s SER 509 CO 0.00 0.28 0.00 -2.65 1.20 0.00 0.00 173.24 172.07 1qas n PRO 510 N 1.87 0.00 0.00 5.44 -0.02 -1.26 -5.31 135.00 135.73 1qas n PRO 510 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1qas n PRO 510 Cb 0.52 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 33.05 1qas n PRO 510 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qas n GLY 514 N -0.10 -2.33 3.56 -1.23 0.00 -1.26 -5.33 105.19 98.49 1qas n GLY 514 Ca 0.00 0.75 -0.50 0.00 0.00 0.00 0.00 46.02 46.27 1qas n GLY 514 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1qas n GLN 515 N 0.00 1.47 -1.24 1.61 7.27 -1.26 -4.88 117.38 120.36 1qas n GLN 515 Ca 0.00 0.47 -0.33 0.00 0.07 0.00 0.00 57.00 57.20 1qas n GLN 515 Cb 0.00 -2.56 0.11 0.00 2.41 0.00 0.00 30.24 30.20 1qas n GLN 515 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1qas s ALA 516 N 6.19 1.97 0.46 1.69 0.00 -1.26 -4.92 121.76 125.89 1qas s ALA 516 Ca 1.03 0.75 0.17 0.00 0.00 0.00 0.00 51.96 53.91 1qas s ALA 516 Cb -0.78 -3.45 1.13 0.00 0.00 0.00 0.00 23.12 20.03 1qas s ALA 516 CO 0.50 -2.08 2.03 0.27 0.00 0.00 0.00 175.76 176.47 1qas h PHE 517 N -0.76 0.00 -0.00 0.00 -0.00 -1.90 -1.25 116.94 113.02 1qas h PHE 517 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.51 1qas h PHE 517 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.23 1qas h PHE 517 CO 0.49 0.15 -0.03 2.48 -0.00 0.00 0.00 178.31 181.40 1qas n TYR 518 N -4.21 0.00 -4.22 6.09 4.11 -1.26 -4.64 117.16 113.02 1qas n TYR 518 Ca -0.02 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 57.53 1qas n TYR 518 Cb 0.22 -0.08 -0.09 0.00 -0.00 0.00 0.00 39.34 39.39 1qas n TYR 518 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1qas s GLU 519 N -2.20 3.37 -0.08 -3.48 2.02 -0.47 -0.47 118.70 117.38 1qas s GLU 519 Ca 0.39 -0.37 0.03 0.00 0.02 0.00 0.00 54.97 55.04 1qas s GLU 519 Cb 0.21 -2.96 0.01 0.00 0.10 0.00 0.00 34.13 31.49 1qas s GLU 519 CO 0.40 0.55 -0.18 1.41 0.02 0.00 0.00 175.26 177.47 1qas s MET 520 N -0.45 2.35 0.14 1.61 1.75 0.11 -4.53 119.30 120.28 1qas s MET 520 Ca 0.09 -0.64 0.04 0.00 -1.25 0.00 0.00 55.69 53.93 1qas s MET 520 Cb -0.12 -1.84 -0.04 0.00 2.84 0.00 0.00 34.83 35.67 1qas s MET 520 CO 0.02 0.09 0.16 0.00 -0.65 0.00 0.00 175.02 174.64 1qas s ALA 521 N 0.53 3.67 0.10 4.11 0.00 -1.26 -1.66 121.76 127.26 1qas s ALA 521 Ca -0.16 -1.12 0.09 0.00 0.00 0.00 0.00 51.96 50.77 1qas s ALA 521 Cb -0.17 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 1qas s ALA 521 CO 0.06 0.57 -0.19 -1.12 0.00 0.00 0.00 175.76 175.08 1qas s SER 522 N -2.96 3.78 0.01 0.00 0.01 -1.26 -1.42 113.70 111.86 1qas s SER 522 Ca 0.31 -0.56 0.02 0.00 1.31 0.00 0.00 55.95 57.04 1qas s SER 522 Cb -0.11 -0.51 -0.01 0.00 0.21 0.00 0.00 66.02 65.60 1qas s SER 522 CO 0.24 0.20 -0.07 -0.36 0.41 0.00 0.00 173.24 173.66 1qas s PHE 523 N -1.08 0.64 0.66 2.43 0.40 0.97 -4.85 117.98 117.15 1qas s PHE 523 Ca 0.17 -0.23 -0.11 0.00 -0.60 0.00 0.00 56.93 56.16 1qas s PHE 523 Cb -0.10 -0.40 -0.01 0.00 0.51 0.00 0.00 43.02 43.01 1qas s PHE 523 CO 0.08 -0.02 1.05 -1.54 0.70 0.00 0.00 175.22 175.49 1qas s SER 524 N -0.59 5.73 0.39 1.36 1.04 -1.26 -1.61 113.70 118.76 1qas s SER 524 Ca -0.01 1.57 0.11 0.00 0.48 0.00 0.00 55.95 58.10 1qas s SER 524 Cb -0.05 -2.49 0.90 0.00 0.10 0.00 0.00 66.02 64.48 1qas s SER 524 CO 0.00 -1.21 1.94 1.05 0.98 0.00 0.00 173.24 176.00 1qas h GLU 525 N -0.44 0.56 -0.23 4.02 4.11 -1.48 -0.03 114.58 121.09 1qas h GLU 525 Ca -0.44 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 58.90 1qas h GLU 525 Cb 1.20 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1qas h GLU 525 CO 0.59 0.37 -0.07 0.66 0.07 0.00 0.00 179.01 180.63 1qas h SER 526 N 0.58 0.46 -0.34 3.06 4.64 -1.91 -1.69 113.55 118.35 1qas h SER 526 Ca 0.34 -0.38 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 1qas h SER 526 Cb 0.55 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1qas h SER 526 CO -0.12 0.73 -0.10 -0.09 -0.87 0.00 0.00 176.83 176.39 1qas h ARG 527 N 0.19 0.66 -0.52 4.77 2.43 -1.78 -1.88 114.38 118.24 1qas h ARG 527 Ca 0.06 -0.26 0.08 0.00 -0.81 0.00 0.00 59.98 59.05 1qas h ARG 527 Cb 0.54 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.98 1qas h ARG 527 CO 0.03 0.84 0.14 0.00 -1.51 0.00 0.00 179.97 179.46 1qas h ALA 528 N 0.80 0.62 -0.69 2.80 0.00 -0.96 0.15 119.26 121.97 1qas h ALA 528 Ca 0.08 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1qas h ALA 528 Cb 0.60 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1qas h ALA 528 CO 0.04 -0.27 0.35 -0.07 0.00 0.00 0.00 179.25 179.30 1qas h LEU 529 N 0.29 0.89 -0.23 0.00 3.38 -1.14 -0.68 115.31 117.82 1qas h LEU 529 Ca 0.26 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1qas h LEU 529 Cb 0.34 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1qas h LEU 529 CO -0.31 0.75 0.10 -0.09 0.09 0.00 0.00 178.44 178.98 1qas h ARG 530 N 0.96 0.33 -0.24 1.13 2.43 -0.47 -0.69 114.38 117.83 1qas h ARG 530 Ca 0.24 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1qas h ARG 530 Cb 0.08 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1qas h ARG 530 CO -0.03 0.36 0.07 -0.07 -1.51 0.00 0.00 179.97 178.79 1qas h LEU 531 N 0.22 0.30 -0.55 3.80 3.38 -0.47 0.15 115.31 122.15 1qas h LEU 531 Ca 0.08 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1qas h LEU 531 Cb 0.15 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1qas h LEU 531 CO -0.01 0.30 -0.61 -0.07 0.09 0.00 0.00 178.44 178.15 1qas h LEU 532 N 0.34 0.45 0.00 1.67 3.38 -0.45 0.19 115.31 120.89 1qas h LEU 532 Ca 0.08 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 1qas h LEU 532 Cb 0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1qas h LEU 532 CO -0.01 0.95 -0.64 -0.61 0.09 0.00 0.00 178.44 178.22 1qas h GLN 533 N 0.29 0.00 0.00 1.13 5.75 -0.35 -2.88 115.11 119.06 1qas h GLN 533 Ca -0.01 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 58.28 1qas h GLN 533 Cb 1.14 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.66 1qas h GLN 533 CO 0.10 0.63 -1.37 0.39 -2.65 0.00 0.00 178.83 175.94 1qas n GLU 534 N -3.25 0.54 0.01 1.69 1.02 0.47 -4.69 120.64 116.43 1qas n GLU 534 Ca 0.01 0.47 -0.04 0.00 -0.02 0.00 0.00 57.16 57.59 1qas n GLU 534 Cb 0.79 -1.65 -0.10 0.00 -0.02 0.00 0.00 31.44 30.45 1qas n GLU 534 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1qas h SER 535 N -1.00 0.00 0.00 1.62 0.02 -0.81 -3.49 113.55 109.88 1qas h SER 535 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1qas h SER 535 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1qas h SER 535 CO -0.20 0.75 0.00 0.61 -1.14 0.00 0.00 176.83 176.86 1qas n GLY 536 N 1.46 1.43 0.06 -3.77 0.00 -1.09 -1.09 105.19 102.18 1qas n GLY 536 Ca -0.12 0.48 0.09 0.00 0.00 0.00 0.00 46.02 46.47 1qas n GLY 536 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qas n ASN 537 N 9.42 0.29 -0.16 1.61 6.94 -1.24 -1.83 115.26 130.28 1qas n ASN 537 Ca 0.00 0.57 -0.10 0.00 -0.02 0.00 0.00 54.58 55.03 1qas n ASN 537 Cb 0.00 -0.63 -0.01 0.00 -2.36 0.00 0.00 39.78 36.78 1qas n ASN 537 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1qas h GLY 538 N 2.47 0.88 0.74 4.83 0.00 -1.43 -0.74 103.07 109.82 1qas h GLY 538 Ca 0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 1qas h GLY 538 CO 0.00 0.62 -0.02 -2.75 0.00 0.00 0.00 176.54 174.39 1qas h PHE 539 N 0.66 0.24 -0.41 5.60 3.04 -1.52 -1.68 116.94 122.87 1qas h PHE 539 Ca 0.12 -0.05 0.06 0.00 3.98 0.00 0.00 57.97 62.08 1qas h PHE 539 Cb 0.54 -0.06 -0.05 0.00 2.56 0.00 0.00 35.95 38.94 1qas h PHE 539 CO 0.04 0.49 0.11 0.28 -2.02 0.00 0.00 178.31 177.22 1qas h VAL 540 N -0.09 0.83 -0.74 1.41 2.07 -1.40 -1.23 116.25 117.10 1qas h VAL 540 Ca 0.03 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1qas h VAL 540 Cb 0.41 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1qas h VAL 540 CO 0.01 0.05 0.40 0.03 0.02 0.00 0.00 177.57 178.07 1qas h ARG 541 N 0.25 1.04 -0.74 1.57 3.08 -1.07 -2.49 114.38 116.02 1qas h ARG 541 Ca 0.19 -0.13 0.06 0.00 0.07 0.00 0.00 59.98 60.18 1qas h ARG 541 Cb 0.21 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 30.00 1qas h ARG 541 CO -0.23 0.78 0.43 1.25 -1.07 0.00 0.00 179.97 181.14 1qas h HIS 542 N 1.03 0.80 0.00 3.04 2.76 -0.77 -1.78 115.15 120.23 1qas h HIS 542 Ca 0.26 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1qas h HIS 542 Cb 0.05 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 28.76 1qas h HIS 542 CO 0.00 0.39 0.00 0.09 -1.30 0.00 0.00 177.93 177.11 1qas n ASN 543 N -4.72 0.00 0.09 3.26 3.02 -0.51 -1.95 115.26 114.45 1qas n ASN 543 Ca 0.10 -0.86 -0.22 0.00 -0.03 0.00 0.00 54.58 53.57 1qas n ASN 543 Cb 0.18 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.21 1qas n ASN 543 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1qas h VAL 544 N 0.00 1.34 0.00 2.41 2.07 -1.20 -3.39 116.25 117.48 1qas h VAL 544 Ca 0.00 -2.51 -0.13 0.00 0.82 0.00 0.00 66.70 64.87 1qas h VAL 544 Cb 0.00 2.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 1qas h VAL 544 CO 0.00 0.75 -2.09 -1.54 0.02 0.00 0.00 177.57 174.71 1qas n SER 545 N -3.87 0.27 -4.35 0.57 3.41 -1.16 -4.33 113.62 104.17 1qas n SER 545 Ca -0.15 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.18 1qas n SER 545 Cb 0.97 1.57 -0.14 0.00 -0.26 0.00 0.00 64.21 66.35 1qas n SER 545 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qas s LEU 547 N -1.55 4.41 -0.06 0.00 1.43 -1.26 -4.24 118.68 117.41 1qas s LEU 547 Ca 0.12 1.78 0.02 0.00 -1.03 0.00 0.00 54.13 55.02 1qas s LEU 547 Cb -0.10 -3.83 0.02 0.00 0.03 0.00 0.00 46.19 42.31 1qas s LEU 547 CO 0.03 0.01 -0.10 -0.44 0.23 0.00 0.00 176.35 176.09 1qas s SER 548 N -1.51 1.47 -0.06 2.29 0.01 -1.26 -3.98 113.70 110.66 1qas s SER 548 Ca 0.46 -0.24 -0.02 0.00 1.31 0.00 0.00 55.95 57.46 1qas s SER 548 Cb -0.20 -0.69 -0.04 0.00 0.21 0.00 0.00 66.02 65.30 1qas s SER 548 CO 0.25 0.00 0.05 -0.60 0.41 0.00 0.00 173.24 173.36 1qas s ARG 549 N 0.74 3.09 0.05 12.44 3.52 -0.51 -2.03 118.95 136.25 1qas s ARG 549 Ca -0.14 -0.39 0.07 0.00 -0.13 0.00 0.00 55.73 55.15 1qas s ARG 549 Cb -0.15 -2.88 -0.03 0.00 -1.56 0.00 0.00 34.95 30.33 1qas s ARG 549 CO 0.03 0.70 -0.21 0.42 -0.81 0.00 0.00 175.30 175.42 1qas s ILE 550 N -1.02 1.68 0.05 4.11 -1.09 0.02 -0.02 121.20 124.92 1qas s ILE 550 Ca 0.17 -1.23 -0.03 0.00 -2.23 0.00 0.00 60.65 57.33 1qas s ILE 550 Cb -0.12 -1.46 -0.02 0.00 -1.58 0.00 0.00 42.46 39.28 1qas s ILE 550 CO 0.07 0.19 0.03 -0.72 -1.23 0.00 0.00 174.94 173.28 1qas s TYR 551 N -0.83 0.35 0.62 3.97 -0.85 -0.63 -1.28 117.35 118.69 1qas s TYR 551 Ca 0.07 -0.78 -0.18 0.00 -0.52 0.00 0.00 57.07 55.66 1qas s TYR 551 Cb -0.09 -0.25 -0.04 0.00 0.38 0.00 0.00 41.96 41.96 1qas s TYR 551 CO 0.02 -0.38 1.03 -2.30 -1.52 0.00 0.00 175.55 172.40 1qas n PRO 552 N 0.45 0.92 -1.95 -3.49 -0.02 -1.26 -1.39 135.00 128.26 1qas n PRO 552 Ca -0.17 0.36 -0.38 0.00 -2.02 0.00 0.00 63.50 61.30 1qas n PRO 552 Cb 0.60 -2.24 0.03 0.00 -0.02 0.00 0.00 33.50 31.86 1qas n PRO 552 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qas s ALA 553 N -1.49 2.81 0.42 3.55 0.00 -1.26 -4.61 121.76 121.17 1qas s ALA 553 Ca 0.78 1.17 0.15 0.00 0.00 0.00 0.00 51.96 54.06 1qas s ALA 553 Cb -0.41 -3.50 1.04 0.00 0.00 0.00 0.00 23.12 20.26 1qas s ALA 553 CO 0.45 -1.15 1.91 0.78 0.00 0.00 0.00 175.76 177.76 1qas h GLY 554 N 1.51 0.74 2.00 0.00 0.00 -2.02 -1.65 103.07 103.65 1qas h GLY 554 Ca -0.50 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1qas h GLY 554 CO 0.58 0.06 0.00 0.11 0.00 0.00 0.00 176.54 177.29 1qas h TRP 555 N 0.43 0.00 0.00 5.60 5.08 -2.03 -3.34 115.95 121.69 1qas h TRP 555 Ca 0.38 0.00 -0.42 0.00 1.08 0.00 0.00 58.89 59.92 1qas h TRP 555 Cb 0.85 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.01 1qas h TRP 555 CO -0.00 0.00 2.34 0.54 -1.28 0.00 0.00 178.44 180.04 1qas n ARG 556 N -2.60 2.54 0.00 0.12 1.74 -0.62 -4.56 116.66 113.28 1qas n ARG 556 Ca -0.00 -1.55 0.11 0.00 -0.77 0.00 0.00 57.85 55.64 1qas n ARG 556 Cb 0.16 -2.43 0.58 0.00 -1.02 0.00 0.00 32.46 29.74 1qas n ARG 556 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1qas n THR 557 N 3.56 0.26 1.26 0.55 -2.24 -1.25 -1.55 114.28 114.86 1qas n THR 557 Ca 0.54 0.07 0.11 0.00 -2.27 0.00 0.00 64.05 62.50 1qas n THR 557 Cb 0.32 -0.69 0.39 0.00 -2.10 0.00 0.00 70.33 68.25 1qas n THR 557 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1qas n ASP 558 N -1.26 1.64 -1.96 3.42 5.75 -1.26 -1.16 116.55 121.72 1qas n ASP 558 Ca 0.11 -1.68 -0.16 0.00 -0.01 0.00 0.00 54.79 53.04 1qas n ASP 558 Cb 0.17 -0.09 -0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1qas n ASP 558 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1qas n SER 559 N 0.30 -4.90 -4.78 -1.12 7.64 -0.60 -4.65 113.62 105.52 1qas n SER 559 Ca 0.16 -0.05 -0.30 0.00 1.01 0.00 0.00 58.87 59.69 1qas n SER 559 Cb 0.33 -3.96 0.10 0.00 -1.01 0.00 0.00 64.21 59.66 1qas n SER 559 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1qas s SER 560 N -2.36 4.39 0.22 6.43 1.04 -1.25 -4.67 113.70 117.50 1qas s SER 560 Ca 0.04 1.51 0.10 0.00 0.48 0.00 0.00 55.95 58.09 1qas s SER 560 Cb -0.02 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.81 1qas s SER 560 CO 0.05 -2.06 -0.13 0.20 0.98 0.00 0.00 173.24 172.28 1qas s ASN 561 N -3.66 3.98 0.32 7.02 0.01 -1.26 -4.75 114.94 116.59 1qas s ASN 561 Ca 0.61 -0.76 0.08 0.00 -0.71 0.00 0.00 52.86 52.08 1qas s ASN 561 Cb -0.16 -0.55 -0.04 0.00 0.41 0.00 0.00 41.25 40.92 1qas s ASN 561 CO 0.55 0.07 0.18 -0.72 -1.51 0.00 0.00 177.10 175.67 1qas s TYR 562 N -2.00 2.83 -0.02 2.20 1.13 -1.26 -4.98 117.35 115.24 1qas s TYR 562 Ca 0.26 -0.30 -0.30 0.00 -1.41 0.00 0.00 57.07 55.33 1qas s TYR 562 Cb -0.07 -1.59 -0.05 0.00 -1.10 0.00 0.00 41.96 39.15 1qas s TYR 562 CO 0.15 0.36 1.38 0.45 -2.51 0.00 0.00 175.55 175.38 1qas s SER 563 N -3.87 6.87 0.35 -0.18 0.15 -1.26 -4.86 113.70 110.90 1qas s SER 563 Ca 0.37 2.06 0.19 0.00 0.70 0.00 0.00 55.95 59.27 1qas s SER 563 Cb -0.05 -2.56 0.33 0.00 -1.71 0.00 0.00 66.02 62.03 1qas s SER 563 CO 0.24 -0.72 1.57 1.55 1.20 0.00 0.00 173.24 177.08 1qas h PRO 564 N 7.90 0.00 -0.15 5.44 0.13 -1.97 -3.37 132.00 139.98 1qas h PRO 564 Ca -0.37 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.81 1qas h PRO 564 Cb 1.17 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 1qas h PRO 564 CO 0.91 0.34 -0.33 0.28 -0.23 0.00 0.00 178.00 178.97 1qas h VAL 565 N 0.00 0.27 -0.03 1.56 2.07 -1.95 -1.18 116.25 116.99 1qas h VAL 565 Ca -0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1qas h VAL 565 Cb 1.16 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1qas h VAL 565 CO 0.04 0.00 0.04 -0.08 0.02 0.00 0.00 177.57 177.59 1qas h GLU 566 N -0.39 0.00 0.03 1.57 4.57 -1.87 0.85 114.58 119.33 1qas h GLU 566 Ca 0.10 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1qas h GLU 566 Cb 0.55 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1qas h GLU 566 CO -0.37 0.00 -0.01 0.52 -1.18 0.00 0.00 179.01 177.97 1qas h MET 567 N 0.00 -0.03 -0.83 1.92 2.86 -1.52 -3.24 114.93 114.08 1qas h MET 567 Ca 0.01 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.73 1qas h MET 567 Cb 0.09 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 1qas h MET 567 CO -0.00 0.66 0.54 -1.49 1.06 0.00 0.00 176.91 177.68 1qas h TRP 568 N -0.80 0.92 0.00 -0.22 6.55 -0.06 0.02 115.95 122.37 1qas h TRP 568 Ca -0.00 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.86 1qas h TRP 568 Cb 0.71 -0.30 0.00 0.00 -0.86 0.00 0.00 29.16 28.71 1qas h TRP 568 CO 0.17 0.48 0.00 -0.91 -1.05 0.00 0.00 178.44 177.13 1qas h ASN 569 N 0.90 0.00 -0.53 -3.49 2.35 -0.95 -1.23 115.58 112.64 1qas h ASN 569 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1qas h ASN 569 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1qas h ASN 569 CO -0.13 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.26 1qas n GLY 570 N -0.73 3.06 3.17 2.83 0.00 -0.03 -4.55 105.19 108.95 1qas n GLY 570 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1qas n GLY 570 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qas n GLY 571 N 0.64 2.91 3.67 -0.02 0.00 -0.46 -3.76 105.19 108.17 1qas n GLY 571 Ca 0.24 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.75 1qas n GLY 571 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qas n GLN 573 N 4.90 1.10 -3.59 0.00 0.00 -1.23 -4.16 117.38 114.40 1qas n GLN 573 Ca 0.22 -0.04 -0.36 0.00 0.00 0.00 0.00 57.00 56.82 1qas n GLN 573 Cb 0.23 -1.43 -0.06 0.00 0.00 0.00 0.00 30.24 28.98 1qas n GLN 573 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1qas n ILE 574 N -2.50 3.10 -3.13 -0.39 5.41 -0.86 0.15 119.36 121.14 1qas n ILE 574 Ca -0.22 -5.17 -0.44 0.00 1.00 0.00 0.00 62.75 57.93 1qas n ILE 574 Cb 0.91 -2.35 -0.06 0.00 -0.71 0.00 0.00 39.64 37.44 1qas n ILE 574 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1qas s VAL 575 N -1.53 4.83 -0.08 1.39 1.01 -1.26 -0.80 120.40 123.95 1qas s VAL 575 Ca 0.29 -0.51 -0.25 0.00 0.00 0.00 0.00 61.98 61.51 1qas s VAL 575 Cb -0.05 -4.35 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 1qas s VAL 575 CO -0.11 -0.88 0.79 0.00 0.00 0.00 0.00 175.10 174.90 1qas s ALA 576 N 2.74 3.35 0.10 5.51 0.00 -0.41 -4.11 121.76 128.96 1qas s ALA 576 Ca 0.16 0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.35 1qas s ALA 576 Cb -0.19 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1qas s ALA 576 CO 0.12 -0.28 -0.14 -0.51 0.00 0.00 0.00 175.76 174.94 1qas s LEU 577 N 1.22 2.36 -0.87 0.00 1.43 -0.86 -4.10 118.68 117.85 1qas s LEU 577 Ca 0.40 -0.74 -0.25 0.00 -1.03 0.00 0.00 54.13 52.51 1qas s LEU 577 Cb -0.18 -0.55 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 1qas s LEU 577 CO 0.18 -0.12 1.72 0.20 0.23 0.00 0.00 176.35 178.56 1qas s ASN 578 N -2.20 5.67 0.16 2.29 0.01 -1.26 -1.88 114.94 117.73 1qas s ASN 578 Ca 0.05 -0.72 0.10 0.00 -0.71 0.00 0.00 52.86 51.58 1qas s ASN 578 Cb -0.07 -2.56 0.52 0.00 0.41 0.00 0.00 41.25 39.56 1qas s ASN 578 CO 0.03 -2.23 1.25 0.49 -1.51 0.00 0.00 177.10 175.13 1qas n PHE 579 N 11.80 0.33 0.65 2.20 3.01 -1.26 -1.23 117.46 132.95 1qas n PHE 579 Ca 0.31 0.17 0.12 0.00 1.01 0.00 0.00 57.45 59.06 1qas n PHE 579 Cb 0.49 -0.72 0.28 0.00 -0.01 0.00 0.00 39.48 39.52 1qas n PHE 579 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1qas n GLN 580 N -1.82 0.24 -3.37 -1.08 0.00 -1.26 -4.80 117.38 105.29 1qas n GLN 580 Ca -0.01 0.12 -0.42 0.00 0.00 0.00 0.00 57.00 56.69 1qas n GLN 580 Cb 0.08 -1.70 -0.09 0.00 0.00 0.00 0.00 30.24 28.53 1qas n GLN 580 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1qas s THR 581 N -3.12 5.15 0.70 -0.39 2.01 -0.36 -4.97 115.64 114.65 1qas s THR 581 Ca 0.08 -0.31 -0.15 0.00 0.31 0.00 0.00 61.69 61.62 1qas s THR 581 Cb 0.14 -3.96 0.02 0.00 0.01 0.00 0.00 72.50 68.71 1qas s THR 581 CO 0.67 -0.31 1.15 -2.84 -0.69 0.00 0.00 174.62 172.60 1qas s PRO 582 N 2.01 2.44 0.00 4.92 0.02 -1.26 -4.63 135.00 138.50 1qas s PRO 582 Ca 0.10 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.68 1qas s PRO 582 Cb -0.17 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.46 1qas s PRO 582 CO 0.12 -1.56 0.00 0.41 -0.33 0.00 0.00 177.00 175.65 1qas n GLY 583 N -0.11 3.19 0.33 0.52 0.00 -1.26 -4.89 105.19 102.97 1qas n GLY 583 Ca 0.12 -1.13 0.18 0.00 0.00 0.00 0.00 46.02 45.19 1qas n GLY 583 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1qas h PRO 584 N 0.00 0.00 0.02 1.61 0.11 -1.97 0.59 132.00 132.35 1qas h PRO 584 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1qas h PRO 584 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1qas h PRO 584 CO 0.00 0.00 -0.01 0.93 -0.21 0.00 0.00 178.00 178.71 1qas h GLU 585 N 0.00 -0.03 -0.31 1.05 3.07 -1.91 -0.40 114.58 116.04 1qas h GLU 585 Ca 0.03 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.80 1qas h GLU 585 Cb 0.30 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1qas h GLU 585 CO -0.00 0.48 -0.20 0.52 -1.40 0.00 0.00 179.01 178.41 1qas h MET 586 N -0.55 0.58 0.16 2.33 2.86 -1.50 -0.44 114.93 118.37 1qas h MET 586 Ca -0.00 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.44 1qas h MET 586 Cb 0.52 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1qas h MET 586 CO 0.00 0.74 -0.19 -0.44 1.06 0.00 0.00 176.91 178.09 1qas h ASP 587 N 0.52 -0.51 0.56 1.22 3.32 -0.85 0.35 116.42 121.04 1qas h ASP 587 Ca 0.08 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 1qas h ASP 587 Cb 0.63 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 1qas h ASP 587 CO 0.04 -0.28 -0.28 0.58 -1.72 0.00 0.00 179.24 177.59 1qas h VAL 588 N -0.39 0.86 0.47 -1.35 2.07 -0.97 -1.25 116.25 115.69 1qas h VAL 588 Ca 0.01 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 1qas h VAL 588 Cb 0.38 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1qas h VAL 588 CO -0.07 0.27 -0.22 0.22 0.02 0.00 0.00 177.57 177.79 1qas h TYR 589 N 0.00 -0.58 0.00 1.57 3.20 0.36 -1.83 116.97 119.69 1qas h TYR 589 Ca -0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1qas h TYR 589 Cb 0.63 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.09 1qas h TYR 589 CO 0.00 -0.28 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.11 1qas h LEU 590 N -1.06 0.00 -0.56 2.82 3.38 -0.36 -2.20 115.31 117.33 1qas h LEU 590 Ca -0.06 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1qas h LEU 590 Cb 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1qas h LEU 590 CO 0.10 0.06 -0.17 1.23 0.09 0.00 0.00 178.44 179.76 1qas h GLY 591 N 1.55 1.06 1.24 0.83 0.00 -1.11 -0.22 103.07 106.42 1qas h GLY 591 Ca -0.00 -0.90 -0.12 0.00 0.00 0.00 0.00 47.33 46.32 1qas h GLY 591 CO 0.01 0.82 -0.18 0.00 0.00 0.00 0.00 176.54 177.19 1qas n PHE 593 N -4.13 0.53 0.07 0.00 3.72 -0.90 -2.70 117.46 114.05 1qas n PHE 593 Ca 0.01 -0.24 -0.02 0.00 -0.05 0.00 0.00 57.45 57.15 1qas n PHE 593 Cb 0.42 -0.06 -0.06 0.00 -0.94 0.00 0.00 39.48 38.84 1qas n PHE 593 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1qas h GLN 594 N 1.86 0.00 -7.29 -1.08 1.08 -0.96 -3.34 115.11 105.37 1qas h GLN 594 Ca 0.00 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.69 1qas h GLN 594 Cb 0.58 0.00 0.16 0.00 -0.05 0.00 0.00 27.48 28.17 1qas h GLN 594 CO 0.04 0.60 0.27 0.34 -0.95 0.00 0.00 178.83 179.14 1qas s ASP 595 N -6.34 3.73 -1.36 1.46 2.15 -1.10 -2.71 116.67 112.50 1qas s ASP 595 Ca 0.00 1.95 -0.03 0.00 0.43 0.00 0.00 52.55 54.91 1qas s ASP 595 Cb 0.09 -2.52 0.02 0.00 -0.30 0.00 0.00 42.92 40.20 1qas s ASP 595 CO 0.79 -2.55 0.74 -3.20 -0.17 0.00 0.00 175.17 170.78 1qas n ASN 596 N -3.86 -1.85 0.00 -0.34 5.15 -1.17 -1.86 115.26 111.33 1qas n ASN 596 Ca 0.10 -0.82 0.00 0.00 -0.60 0.00 0.00 54.58 53.26 1qas n ASN 596 Cb 0.53 -3.96 0.00 0.00 -0.53 0.00 0.00 39.78 35.81 1qas n ASN 596 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qas n GLY 597 N -1.63 0.24 2.32 8.20 0.00 -0.72 -2.79 105.19 110.81 1qas n GLY 597 Ca -0.23 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 1qas n GLY 597 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qas n GLY 598 N -0.85 1.06 0.00 -0.02 0.00 -0.78 -4.74 105.19 99.86 1qas n GLY 598 Ca 0.00 -0.50 0.11 0.00 0.00 0.00 0.00 46.02 45.63 1qas n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qas n GLY 600 N 0.49 1.58 3.01 0.00 0.00 -1.26 -4.62 105.19 104.37 1qas n GLY 600 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1qas n GLY 600 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qas s TYR 601 N -2.82 1.98 -0.15 1.61 2.02 -1.26 -1.48 117.35 117.25 1qas s TYR 601 Ca 0.00 -1.05 0.00 0.00 -0.37 0.00 0.00 57.07 55.66 1qas s TYR 601 Cb 0.00 -1.48 0.02 0.00 -0.40 0.00 0.00 41.96 40.10 1qas s TYR 601 CO 0.00 -0.59 -0.15 0.08 -1.57 0.00 0.00 175.55 173.32 1qas s VAL 602 N 1.40 1.65 0.01 0.71 1.01 -0.90 -4.84 120.40 119.43 1qas s VAL 602 Ca 0.02 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 1qas s VAL 602 Cb -0.13 -1.54 -0.07 0.00 0.00 0.00 0.00 36.38 34.64 1qas s VAL 602 CO -0.08 0.47 1.68 -0.22 0.00 0.00 0.00 175.10 176.95 1qas s LEU 603 N 1.44 4.35 0.75 3.92 2.96 -1.26 -0.74 118.68 130.10 1qas s LEU 603 Ca 0.05 2.38 -0.14 0.00 -0.22 0.00 0.00 54.13 56.19 1qas s LEU 603 Cb -0.13 -3.55 0.05 0.00 0.50 0.00 0.00 46.19 43.07 1qas s LEU 603 CO -0.11 -0.91 1.18 -0.54 -1.32 0.00 0.00 176.35 174.65 1qas s LYS 604 N 3.47 2.05 0.55 1.98 1.02 -0.23 -4.92 119.74 123.65 1qas s LYS 604 Ca 0.75 1.65 -0.21 0.00 0.02 0.00 0.00 55.97 58.18 1qas s LYS 604 Cb -0.37 -1.83 -0.05 0.00 -0.52 0.00 0.00 37.83 35.06 1qas s LYS 604 CO 0.32 -1.88 1.31 -2.30 -0.92 0.00 0.00 175.35 171.87 1qas n PRO 605 N -2.97 1.58 -0.09 -1.68 -0.02 -1.26 -4.78 135.00 125.77 1qas n PRO 605 Ca 0.13 0.58 0.19 0.00 -2.02 0.00 0.00 63.50 62.37 1qas n PRO 605 Cb 0.51 -2.52 0.61 0.00 -0.02 0.00 0.00 33.50 32.08 1qas n PRO 605 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qas h ALA 606 N 1.30 2.35 0.00 3.55 0.00 -1.96 0.31 119.26 124.80 1qas h ALA 606 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1qas h ALA 606 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1qas h ALA 606 CO 0.56 -0.53 0.00 0.27 0.00 0.00 0.00 179.25 179.55 1qas h PHE 607 N 0.19 0.00 -0.01 0.00 -0.00 -1.97 -0.17 116.94 114.98 1qas h PHE 607 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.29 1qas h PHE 607 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.94 1qas h PHE 607 CO -0.00 0.00 -0.30 1.28 -0.00 0.00 0.00 178.31 179.29 1qas n LEU 608 N -3.01 1.74 -0.98 2.10 4.77 0.11 -3.94 117.00 117.78 1qas n LEU 608 Ca -0.01 -0.59 0.05 0.00 -0.03 0.00 0.00 56.01 55.43 1qas n LEU 608 Cb 0.21 -0.04 0.24 0.00 -2.33 0.00 0.00 43.42 41.50 1qas n LEU 608 CO 0.24 0.31 0.72 0.54 -1.33 0.00 0.00 177.39 177.87 1qas n ARG 609 N -0.06 2.62 -3.98 3.23 1.74 -0.09 -4.61 116.66 115.52 1qas n ARG 609 Ca 0.12 -2.93 -0.34 0.00 -0.77 0.00 0.00 57.85 53.93 1qas n ARG 609 Cb 0.43 -1.85 -0.15 0.00 -1.02 0.00 0.00 32.46 29.88 1qas n ARG 609 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1qas s ASP 610 N -2.08 4.04 0.50 0.55 2.15 -1.15 -5.00 116.67 115.68 1qas s ASP 610 Ca 0.43 -0.64 0.20 0.00 0.43 0.00 0.00 52.55 52.97 1qas s ASP 610 Cb 0.36 -1.65 1.27 0.00 -0.30 0.00 0.00 42.92 42.60 1qas s ASP 610 CO 0.07 -0.06 2.03 1.55 -0.17 0.00 0.00 175.17 178.58 1qas h PRO 611 N 8.03 0.11 -0.52 4.34 0.13 -1.92 -1.84 132.00 140.34 1qas h PRO 611 Ca -0.39 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1qas h PRO 611 Cb 1.13 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1qas h PRO 611 CO 0.60 0.07 0.00 0.09 -0.23 0.00 0.00 178.00 178.53 1qas n ASN 612 N -4.44 3.52 -4.57 1.44 3.02 -1.26 -4.79 115.26 108.18 1qas n ASN 612 Ca 0.07 -1.97 -0.39 0.00 -0.03 0.00 0.00 54.58 52.25 1qas n ASN 612 Cb 0.43 -0.34 0.03 0.00 -0.61 0.00 0.00 39.78 39.28 1qas n ASN 612 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1qas n THR 613 N 1.35 2.74 -0.32 3.41 5.66 -0.69 -4.89 114.28 121.53 1qas n THR 613 Ca 0.20 -0.50 0.06 0.00 -3.05 0.00 0.00 64.05 60.75 1qas n THR 613 Cb 0.57 -1.00 0.16 0.00 -1.55 0.00 0.00 70.33 68.51 1qas n THR 613 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1qas n THR 614 N -1.18 1.24 -1.77 1.09 -2.24 -1.26 -4.88 114.28 105.28 1qas n THR 614 Ca 0.11 -1.17 -0.39 0.00 -2.27 0.00 0.00 64.05 60.33 1qas n THR 614 Cb 0.44 0.36 0.03 0.00 -2.10 0.00 0.00 70.33 69.05 1qas n THR 614 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1qas s PHE 615 N -1.35 2.36 -0.28 4.78 5.36 -1.26 -4.84 117.98 122.76 1qas s PHE 615 Ca 0.25 1.29 -0.00 0.00 -0.96 0.00 0.00 56.93 57.50 1qas s PHE 615 Cb 0.15 -3.91 0.17 0.00 -0.34 0.00 0.00 43.02 39.09 1qas s PHE 615 CO 0.13 -3.01 0.50 1.21 -1.46 0.00 0.00 175.22 172.59 1qas s ASN 616 N -0.63 -0.67 0.55 6.13 3.84 -1.26 -3.73 114.94 119.17 1qas s ASN 616 Ca 0.65 0.44 0.26 0.00 0.21 0.00 0.00 52.86 54.42 1qas s ASN 616 Cb -0.43 1.68 1.45 0.00 -0.55 0.00 0.00 41.25 43.40 1qas s ASN 616 CO 0.54 -0.29 2.01 -1.28 -2.79 0.00 0.00 177.10 175.29 1qas h SER 617 N 8.08 0.00 0.59 -4.21 0.87 -1.93 -1.93 113.55 115.02 1qas h SER 617 Ca -0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1qas h SER 617 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1qas h SER 617 CO 0.25 0.00 -0.62 0.54 -0.53 0.00 0.00 176.83 176.47 1qas n ARG 618 N -4.18 0.13 -3.10 2.24 5.12 -1.26 -4.35 116.66 111.26 1qas n ARG 618 Ca 0.08 0.03 -0.16 0.00 -1.93 0.00 0.00 57.85 55.86 1qas n ARG 618 Cb 0.54 -1.57 -0.05 0.00 -1.16 0.00 0.00 32.46 30.23 1qas n ARG 618 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1qas n ALA 619 N -1.65 0.68 -1.77 7.54 0.00 -0.74 -5.10 120.51 119.48 1qas n ALA 619 Ca 0.04 -2.15 -0.40 0.00 0.00 0.00 0.00 53.44 50.94 1qas n ALA 619 Cb 0.38 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 1qas n ALA 619 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qas s LEU 620 N 0.41 4.38 0.00 0.00 1.43 -1.14 -4.47 118.68 119.30 1qas s LEU 620 Ca 0.32 2.42 0.01 0.00 -1.03 0.00 0.00 54.13 55.84 1qas s LEU 620 Cb 0.02 -3.78 -0.00 0.00 0.03 0.00 0.00 46.19 42.46 1qas s LEU 620 CO -0.13 -0.45 0.04 0.35 0.23 0.00 0.00 176.35 176.39 1qas n THR 621 N 0.66 0.00 -3.10 5.49 -2.24 -1.26 -5.09 114.28 108.75 1qas n THR 621 Ca 0.01 -0.74 -0.39 0.00 -2.27 0.00 0.00 64.05 60.66 1qas n THR 621 Cb 0.45 0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.87 1qas n THR 621 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1qas s GLN 622 N -2.49 4.42 -0.07 -0.78 -0.44 -1.26 -4.72 119.66 114.33 1qas s GLN 622 Ca 0.06 0.98 -0.27 0.00 -2.50 0.00 0.00 55.36 53.62 1qas s GLN 622 Cb 0.00 -3.27 0.09 0.00 -1.64 0.00 0.00 33.01 28.19 1qas s GLN 622 CO 0.04 0.55 1.22 0.41 0.50 0.00 0.00 175.29 178.00 1qas n GLY 623 N 1.79 0.15 0.17 2.59 0.00 -1.26 -4.98 105.19 103.64 1qas n GLY 623 Ca -0.07 -1.00 0.12 0.00 0.00 0.00 0.00 46.02 45.07 1qas n GLY 623 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1qas h PRO 624 N 0.00 0.00 0.03 1.61 0.11 -2.03 -0.78 132.00 130.95 1qas h PRO 624 Ca -0.18 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.72 1qas h PRO 624 Cb 1.06 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1qas h PRO 624 CO 0.27 0.00 -0.99 0.11 -0.21 0.00 0.00 178.00 177.18 1qas h TRP 625 N 0.00 0.17 -1.97 0.65 0.09 -1.93 -3.41 115.95 109.54 1qas h TRP 625 Ca 0.00 -0.11 -0.58 0.00 0.09 0.00 0.00 58.89 58.29 1qas h TRP 625 Cb 0.10 -0.01 -0.10 0.00 0.08 0.00 0.00 29.16 29.22 1qas h TRP 625 CO 0.00 1.02 1.13 -0.46 0.09 0.00 0.00 178.44 180.22 1qas s TRP 626 N -2.88 2.48 -0.41 0.12 -0.11 -0.30 -4.26 118.94 113.58 1qas s TRP 626 Ca -0.01 -0.49 0.07 0.00 1.22 0.00 0.00 56.10 56.89 1qas s TRP 626 Cb 0.10 -4.58 0.23 0.00 -1.50 0.00 0.00 33.47 27.72 1qas s TRP 626 CO 0.83 -1.93 0.55 0.54 -4.62 0.00 0.00 176.95 172.32 1qas n ARG 627 N 8.77 0.62 -1.71 5.86 1.74 -0.16 -4.71 116.66 127.07 1qas n ARG 627 Ca 0.14 -2.94 -0.42 0.00 -0.77 0.00 0.00 57.85 53.86 1qas n ARG 627 Cb 0.49 -1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 30.56 1qas n ARG 627 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1qas n PRO 628 N 1.76 2.80 -4.54 5.56 -0.04 -1.16 -4.57 135.00 134.80 1qas n PRO 628 Ca 0.21 1.01 -0.26 0.00 -0.04 0.00 0.00 63.50 64.42 1qas n PRO 628 Cb 0.54 -2.88 -0.10 0.00 -0.04 0.00 0.00 33.50 31.01 1qas n PRO 628 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1qas s GLU 629 N 1.73 1.81 -0.21 0.54 0.41 -0.56 -4.83 118.70 117.59 1qas s GLU 629 Ca 0.78 -1.93 0.02 0.00 -0.41 0.00 0.00 54.97 53.42 1qas s GLU 629 Cb -0.49 -1.69 0.04 0.00 -1.78 0.00 0.00 34.13 30.20 1qas s GLU 629 CO 0.34 0.15 -0.16 0.50 -0.49 0.00 0.00 175.26 175.60 1qas s ARG 630 N -3.61 2.60 -0.18 1.61 3.52 -0.43 -1.49 118.95 120.98 1qas s ARG 630 Ca 0.32 -1.01 -0.07 0.00 -0.13 0.00 0.00 55.73 54.84 1qas s ARG 630 Cb 0.02 -2.66 -0.04 0.00 -1.56 0.00 0.00 34.95 30.71 1qas s ARG 630 CO 0.16 -0.36 0.07 -1.17 -0.81 0.00 0.00 175.30 173.19 1qas s LEU 631 N 1.24 3.86 -0.13 -0.88 2.96 -0.33 -0.76 118.68 124.64 1qas s LEU 631 Ca -0.01 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.04 1qas s LEU 631 Cb -0.16 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.57 1qas s LEU 631 CO -0.10 0.19 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.80 1qas s ARG 632 N 0.26 2.77 -0.13 1.98 0.52 0.22 -1.03 118.95 123.54 1qas s ARG 632 Ca 0.04 -0.76 0.02 0.00 -0.52 0.00 0.00 55.73 54.51 1qas s ARG 632 Cb -0.12 -2.27 0.01 0.00 0.52 0.00 0.00 34.95 33.09 1qas s ARG 632 CO 0.00 -0.04 -0.19 0.08 0.02 0.00 0.00 175.30 175.18 1qas s VAL 633 N 0.89 1.83 -0.39 3.52 1.01 -0.82 -1.18 120.40 125.25 1qas s VAL 633 Ca -0.06 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 1qas s VAL 633 Cb -0.15 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.61 1qas s VAL 633 CO -0.02 0.50 0.24 -0.13 0.00 0.00 0.00 175.10 175.69 1qas s ARG 634 N 0.97 2.89 -0.82 2.72 1.81 -0.04 0.13 118.95 126.62 1qas s ARG 634 Ca -0.05 -1.05 -0.22 0.00 -1.72 0.00 0.00 55.73 52.70 1qas s ARG 634 Cb -0.15 -3.82 0.08 0.00 -0.45 0.00 0.00 34.95 30.61 1qas s ARG 634 CO -0.03 -0.71 1.13 0.42 -0.68 0.00 0.00 175.30 175.42 1qas s ILE 635 N 1.60 4.34 0.00 1.52 -1.09 0.70 -1.79 121.20 126.48 1qas s ILE 635 Ca 0.03 -0.76 0.00 0.00 -2.23 0.00 0.00 60.65 57.69 1qas s ILE 635 Cb -0.19 -4.80 0.00 0.00 -1.58 0.00 0.00 42.46 35.89 1qas s ILE 635 CO 0.08 -1.59 0.33 -0.38 -1.23 0.00 0.00 174.94 172.14 1qas n ILE 636 N 5.98 0.00 -4.25 2.92 5.41 -0.91 -0.67 119.36 127.84 1qas n ILE 636 Ca 0.12 0.70 -0.14 0.00 1.00 0.00 0.00 62.75 64.43 1qas n ILE 636 Cb 0.48 -1.44 -0.10 0.00 -0.71 0.00 0.00 39.64 37.87 1qas n ILE 636 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1qas s SER 637 N -2.07 0.66 0.05 4.38 1.04 -1.09 0.14 113.70 116.81 1qas s SER 637 Ca 0.00 -1.44 0.05 0.00 0.48 0.00 0.00 55.95 55.04 1qas s SER 637 Cb 0.00 0.35 -0.02 0.00 0.10 0.00 0.00 66.02 66.45 1qas s SER 637 CO 0.00 -0.84 -0.13 -0.83 0.98 0.00 0.00 173.24 172.42 1qas s GLY 638 N -3.24 0.77 -0.02 7.32 0.00 0.65 0.19 107.32 112.99 1qas s GLY 638 Ca 0.39 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 44.27 1qas s GLY 638 CO 0.14 -0.84 -0.05 -0.86 0.00 0.00 0.00 173.10 171.49 1qas s GLN 639 N -1.30 0.61 -1.34 2.90 0.00 -0.22 -3.08 119.66 117.23 1qas s GLN 639 Ca -0.00 -0.17 -0.03 0.00 -0.00 0.00 0.00 55.36 55.16 1qas s GLN 639 Cb -0.08 -0.61 -0.00 0.00 0.00 0.00 0.00 33.01 32.31 1qas s GLN 639 CO 0.01 0.05 0.55 1.04 0.00 0.00 0.00 175.29 176.94 1qas n GLN 640 N 3.38 -3.44 -1.90 9.60 6.02 -0.88 -2.45 117.38 127.71 1qas n GLN 640 Ca -0.18 0.47 -0.42 0.00 -0.01 0.00 0.00 57.00 56.86 1qas n GLN 640 Cb 0.55 -4.65 -0.03 0.00 1.02 0.00 0.00 30.24 27.13 1qas n GLN 640 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1qas s LEU 641 N -6.81 4.37 0.35 1.08 1.02 -0.78 -3.92 118.68 113.99 1qas s LEU 641 Ca 0.07 2.71 -0.28 0.00 0.02 0.00 0.00 54.13 56.65 1qas s LEU 641 Cb -0.02 -3.61 -0.10 0.00 0.02 0.00 0.00 46.19 42.48 1qas s LEU 641 CO 0.86 -0.83 1.31 -2.16 0.02 0.00 0.00 176.35 175.55 1qas s PRO 642 N 0.60 4.24 -0.17 1.29 0.04 -1.26 -4.76 135.00 134.97 1qas s PRO 642 Ca 0.68 2.20 -0.29 0.00 0.04 0.00 0.00 61.00 63.63 1qas s PRO 642 Cb -0.45 -2.97 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 1qas s PRO 642 CO 0.36 -0.28 1.51 -1.59 0.04 0.00 0.00 177.00 177.04 1qas s LYS 643 N -1.94 4.01 -0.15 4.56 0.00 -1.26 -4.95 119.74 120.01 1qas s LYS 643 Ca 0.51 1.75 -0.29 0.00 0.00 0.00 0.00 55.97 57.94 1qas s LYS 643 Cb -0.39 -3.94 -0.01 0.00 0.00 0.00 0.00 37.83 33.49 1qas s LYS 643 CO 0.52 -1.03 1.08 0.14 0.00 0.00 0.00 175.35 176.06 1qas s VAL 644 N 4.43 4.60 0.00 1.79 -7.23 -1.26 -5.16 120.40 117.57 1qas s VAL 644 Ca 0.66 1.90 0.00 0.00 -1.81 0.00 0.00 61.98 62.74 1qas s VAL 644 Cb -0.25 -4.23 0.00 0.00 0.56 0.00 0.00 36.38 32.46 1qas s VAL 644 CO 0.25 -0.08 0.00 -3.20 -0.31 0.00 0.00 175.10 171.76 1qas n ASN 645 N 5.73 0.00 -3.84 4.85 5.15 -1.26 -5.16 115.26 120.72 1qas n ASN 645 Ca 0.11 0.00 -0.19 0.00 -0.60 0.00 0.00 54.58 53.90 1qas n ASN 645 Cb 0.47 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.77 1qas n ASN 645 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1qas n ILE 651 N 0.00 0.00 -3.80 -1.44 5.41 -1.26 -5.25 119.36 113.02 1qas n ILE 651 Ca 0.00 -0.03 -0.13 0.00 1.00 0.00 0.00 62.75 63.59 1qas n ILE 651 Cb 0.00 -0.15 -0.14 0.00 -0.71 0.00 0.00 39.64 38.64 1qas n ILE 651 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1qas s VAL 652 N -2.03 -0.02 -0.86 1.39 1.01 -1.26 -5.03 120.40 113.60 1qas s VAL 652 Ca 0.24 0.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.17 1qas s VAL 652 Cb 0.01 -0.18 0.22 0.00 0.00 0.00 0.00 36.38 36.44 1qas s VAL 652 CO 0.34 0.03 0.79 -1.81 0.00 0.00 0.00 175.10 174.45 1qas s ASP 653 N 0.47 6.70 0.60 3.32 1.11 -1.26 -0.71 116.67 126.90 1qas s ASP 653 Ca -0.03 -2.88 -0.14 0.00 0.18 0.00 0.00 52.55 49.68 1qas s ASP 653 Cb -0.05 -2.17 -0.04 0.00 1.07 0.00 0.00 42.92 41.73 1qas s ASP 653 CO -0.02 -0.50 1.03 -2.84 1.18 0.00 0.00 175.17 174.02 1qas s PRO 654 N -0.12 3.50 -0.18 8.23 0.02 -1.07 -0.52 135.00 144.86 1qas s PRO 654 Ca 0.20 0.95 -0.16 0.00 0.02 0.00 0.00 61.00 62.01 1qas s PRO 654 Cb -0.11 -2.07 0.05 0.00 0.02 0.00 0.00 34.50 32.39 1qas s PRO 654 CO -0.08 -0.65 0.48 -1.59 -0.33 0.00 0.00 177.00 174.82 1qas s LYS 655 N -4.58 0.55 -0.19 5.54 -2.85 -0.88 -0.43 119.74 116.90 1qas s LYS 655 Ca 0.59 0.66 -0.04 0.00 -1.00 0.00 0.00 55.97 56.18 1qas s LYS 655 Cb -0.12 0.27 -0.02 0.00 -2.06 0.00 0.00 37.83 35.89 1qas s LYS 655 CO 0.44 -0.07 -0.02 0.08 0.10 0.00 0.00 175.35 175.88 1qas s VAL 656 N 0.26 3.79 -0.15 1.79 1.01 -1.26 -1.08 120.40 124.76 1qas s VAL 656 Ca -0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 1qas s VAL 656 Cb -0.03 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1qas s VAL 656 CO 0.01 0.45 0.11 -0.63 0.00 0.00 0.00 175.10 175.03 1qas s ILE 657 N 0.91 5.27 -0.15 2.22 1.09 0.30 -1.42 121.20 129.41 1qas s ILE 657 Ca 0.00 0.13 0.02 0.00 -1.10 0.00 0.00 60.65 59.70 1qas s ILE 657 Cb -0.14 -3.34 0.01 0.00 -1.06 0.00 0.00 42.46 37.93 1qas s ILE 657 CO 0.02 0.53 -0.20 -0.69 -0.10 0.00 0.00 174.94 174.50 1qas s VAL 658 N -0.34 1.95 0.06 2.92 1.01 0.94 0.20 120.40 127.14 1qas s VAL 658 Ca 0.11 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.24 1qas s VAL 658 Cb -0.12 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1qas s VAL 658 CO 0.01 0.53 -0.15 -1.83 0.00 0.00 0.00 175.10 173.66 1qas s GLU 659 N 1.05 0.92 -0.17 2.72 -1.05 -0.12 -0.54 118.70 121.52 1qas s GLU 659 Ca -0.02 -0.90 -0.03 0.00 -0.15 0.00 0.00 54.97 53.87 1qas s GLU 659 Cb -0.14 -0.96 -0.02 0.00 -0.44 0.00 0.00 34.13 32.57 1qas s GLU 659 CO -0.06 0.22 -0.05 0.42 0.95 0.00 0.00 175.26 176.74 1qas s ILE 660 N -1.08 3.67 -0.20 1.83 -1.09 -0.16 -0.66 121.20 123.50 1qas s ILE 660 Ca 0.01 -0.43 -0.02 0.00 -2.23 0.00 0.00 60.65 57.98 1qas s ILE 660 Cb -0.09 -2.61 0.00 0.00 -1.58 0.00 0.00 42.46 38.18 1qas s ILE 660 CO 0.02 0.48 -0.12 -1.00 -1.23 0.00 0.00 174.94 173.09 1qas s HIS 661 N 0.60 2.87 0.00 3.97 3.76 0.23 -2.36 115.29 124.37 1qas s HIS 661 Ca -0.03 -1.25 0.00 0.00 -0.15 0.00 0.00 55.06 53.62 1qas s HIS 661 Cb -0.15 -2.02 0.00 0.00 1.11 0.00 0.00 32.58 31.53 1qas s HIS 661 CO 0.03 -0.66 0.00 0.41 -0.85 0.00 0.00 174.74 173.67 1qas n GLY 662 N 4.69 2.48 3.56 -2.22 0.00 -1.26 0.43 105.19 112.86 1qas n GLY 662 Ca -0.19 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 1qas n GLY 662 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qas s VAL 663 N 0.30 1.71 0.15 1.61 -7.23 -1.26 -4.67 120.40 111.02 1qas s VAL 663 Ca 0.00 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.88 1qas s VAL 663 Cb 0.00 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 1qas s VAL 663 CO 0.00 0.00 1.56 1.23 -0.31 0.00 0.00 175.10 177.58 1qas h GLY 664 N -2.53 -0.68 0.43 2.32 0.00 -1.98 -2.51 103.07 98.12 1qas h GLY 664 Ca -0.50 0.60 0.07 0.00 0.00 0.00 0.00 47.33 47.50 1qas h GLY 664 CO 0.43 -0.16 0.02 3.21 0.00 0.00 0.00 176.54 180.04 1qas h ARG 665 N -0.33 0.12 0.00 4.80 3.08 -1.91 -2.76 114.38 117.38 1qas h ARG 665 Ca 0.13 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1qas h ARG 665 Cb 0.59 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1qas h ARG 665 CO -0.61 0.08 0.00 -0.25 -1.07 0.00 0.00 179.97 178.13 1qas n ASP 666 N -5.16 0.55 -4.61 7.04 8.00 -1.03 -4.72 116.55 116.62 1qas n ASP 666 Ca 0.02 0.62 -0.43 0.00 0.71 0.00 0.00 54.79 55.71 1qas n ASP 666 Cb 0.19 -0.74 -0.02 0.00 -0.02 0.00 0.00 41.12 40.53 1qas n ASP 666 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1qas s THR 667 N -3.22 3.76 0.34 -3.53 2.01 -0.97 -4.59 115.64 109.42 1qas s THR 667 Ca 0.06 0.79 -0.10 0.00 0.31 0.00 0.00 61.69 62.74 1qas s THR 667 Cb 0.10 -3.96 0.02 0.00 0.01 0.00 0.00 72.50 68.68 1qas s THR 667 CO 0.41 -0.57 0.61 -0.83 -0.69 0.00 0.00 174.62 173.55 1qas s GLY 668 N 4.57 0.80 0.06 4.40 0.00 -0.99 -5.00 107.32 111.15 1qas s GLY 668 Ca 0.68 -1.04 -0.22 0.00 0.00 0.00 0.00 44.72 44.14 1qas s GLY 668 CO 0.32 -0.62 0.53 -0.45 0.00 0.00 0.00 173.10 172.88 1qas s SER 669 N -3.11 -0.45 0.04 1.64 0.15 -1.26 -0.99 113.70 109.72 1qas s SER 669 Ca 0.22 0.15 -0.06 0.00 0.70 0.00 0.00 55.95 56.96 1qas s SER 669 Cb -0.03 0.50 -0.01 0.00 -1.71 0.00 0.00 66.02 64.78 1qas s SER 669 CO 0.14 -0.75 0.11 -0.13 1.20 0.00 0.00 173.24 173.81 1qas s ARG 670 N -2.62 0.62 0.06 5.44 1.81 0.30 -5.00 118.95 119.56 1qas s ARG 670 Ca -0.04 -0.76 -0.04 0.00 -1.72 0.00 0.00 55.73 53.17 1qas s ARG 670 Cb -0.00 0.24 -0.02 0.00 -0.45 0.00 0.00 34.95 34.71 1qas s ARG 670 CO -0.03 -0.16 0.06 1.14 -0.68 0.00 0.00 175.30 175.63 1qas s GLN 671 N -2.69 0.69 0.43 3.54 -2.07 -1.26 -0.04 119.66 118.25 1qas s GLN 671 Ca -0.04 -1.08 0.08 0.00 -1.82 0.00 0.00 55.36 52.50 1qas s GLN 671 Cb -0.01 0.26 0.01 0.00 -1.09 0.00 0.00 33.01 32.18 1qas s GLN 671 CO -0.05 -0.17 0.56 0.95 -1.32 0.00 0.00 175.29 175.26 1qas s THR 672 N -3.77 2.89 0.71 3.63 -4.23 -0.51 -5.00 115.64 109.36 1qas s THR 672 Ca 0.05 -1.05 -0.13 0.00 -1.18 0.00 0.00 61.69 59.38 1qas s THR 672 Cb 0.06 -2.94 0.03 0.00 1.34 0.00 0.00 72.50 70.98 1qas s THR 672 CO -0.10 0.00 1.10 0.00 -0.54 0.00 0.00 174.62 175.08 1qas s ALA 673 N -2.39 2.37 0.03 3.99 0.00 -1.26 -4.56 121.76 119.94 1qas s ALA 673 Ca 0.54 0.41 -0.27 0.00 0.00 0.00 0.00 51.96 52.65 1qas s ALA 673 Cb -0.09 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 1qas s ALA 673 CO 0.33 -1.50 0.84 0.08 0.00 0.00 0.00 175.76 175.50 1qas s VAL 674 N -2.61 4.78 -0.17 0.00 1.01 -1.26 -4.54 120.40 117.60 1qas s VAL 674 Ca 0.64 1.77 -0.15 0.00 0.00 0.00 0.00 61.98 64.24 1qas s VAL 674 Cb -0.19 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1qas s VAL 674 CO 0.48 0.29 0.36 -0.63 0.00 0.00 0.00 175.10 175.60 1qas s ILE 675 N 0.35 5.25 0.03 2.22 -1.09 0.43 -4.95 121.20 123.42 1qas s ILE 675 Ca 0.43 0.66 -0.30 0.00 -2.23 0.00 0.00 60.65 59.21 1qas s ILE 675 Cb -0.21 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 36.94 1qas s ILE 675 CO 0.24 0.32 1.05 -0.89 -1.23 0.00 0.00 174.94 174.43 1qas s THR 676 N 0.86 4.59 -0.89 2.92 2.01 -1.26 -2.60 115.64 121.28 1qas s THR 676 Ca 0.19 1.88 -0.16 0.00 0.31 0.00 0.00 61.69 63.90 1qas s THR 676 Cb -0.14 -4.20 0.02 0.00 0.01 0.00 0.00 72.50 68.19 1qas s THR 676 CO 0.06 0.15 0.55 0.59 -0.69 0.00 0.00 174.62 175.29 1qas n ASN 677 N 3.84 -3.80 -3.15 3.53 4.13 -1.23 -4.93 115.26 113.65 1qas n ASN 677 Ca 0.07 -1.00 0.04 0.00 1.68 0.00 0.00 54.58 55.37 1qas n ASN 677 Cb 0.49 -1.36 -0.00 0.00 -1.54 0.00 0.00 39.78 37.37 1qas n ASN 677 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1qas s ASN 678 N -3.31 -1.37 -0.13 6.41 3.84 0.11 -4.86 114.94 115.63 1qas s ASN 678 Ca 0.22 0.03 0.16 0.00 0.21 0.00 0.00 52.86 53.48 1qas s ASN 678 Cb -0.13 1.84 -0.23 0.00 -0.55 0.00 0.00 41.25 42.19 1qas s ASN 678 CO 0.81 -0.24 0.15 0.61 -2.79 0.00 0.00 177.10 175.64 1qas n GLY 679 N 5.18 -0.83 0.20 1.21 0.00 -1.25 -3.92 105.19 105.78 1qas n GLY 679 Ca 0.07 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 1qas n GLY 679 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1qas h PHE 680 N 0.00 0.66 -0.42 1.61 3.57 -1.88 -2.06 116.94 118.41 1qas h PHE 680 Ca -0.33 -0.10 -0.24 0.00 3.53 0.00 0.00 57.97 60.82 1qas h PHE 680 Cb 1.71 -0.18 -0.35 0.00 2.79 0.00 0.00 35.95 39.92 1qas h PHE 680 CO 0.00 0.68 -0.98 0.27 -2.23 0.00 0.00 178.31 176.05 1qas n ASN 681 N -4.54 0.99 -4.78 0.41 6.94 -1.26 -2.08 115.26 110.94 1qas n ASN 681 Ca -0.01 -2.15 -0.41 0.00 -0.02 0.00 0.00 54.58 51.99 1qas n ASN 681 Cb 0.24 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 1qas n ASN 681 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1qas n PRO 682 N -0.68 2.61 -3.84 -0.53 -0.04 -1.18 -4.76 135.00 126.59 1qas n PRO 682 Ca 0.03 0.92 -0.27 0.00 -0.04 0.00 0.00 63.50 64.14 1qas n PRO 682 Cb 0.82 -2.67 -0.17 0.00 -0.04 0.00 0.00 33.50 31.44 1qas n PRO 682 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1qas s ARG 683 N -2.17 1.12 -0.25 0.54 3.52 -1.26 -0.25 118.95 120.20 1qas s ARG 683 Ca 0.55 -0.31 0.04 0.00 -0.13 0.00 0.00 55.73 55.88 1qas s ARG 683 Cb -0.47 -1.71 -0.18 0.00 -1.56 0.00 0.00 34.95 31.04 1qas s ARG 683 CO 0.63 -0.41 -0.19 0.91 -0.81 0.00 0.00 175.30 175.43 1qas n TRP 684 N 4.98 0.00 -4.03 5.12 8.01 0.12 -4.96 117.44 126.68 1qas n TRP 684 Ca -0.10 0.00 -0.29 0.00 -1.31 0.00 0.00 57.50 55.79 1qas n TRP 684 Cb 0.49 -0.98 -0.02 0.00 -2.01 0.00 0.00 31.31 28.79 1qas n TRP 684 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1qas n ASP 685 N -3.19 -1.76 -4.28 -0.99 8.00 0.15 -4.95 116.55 109.54 1qas n ASP 685 Ca -0.44 -0.98 -0.33 0.00 0.71 0.00 0.00 54.79 53.76 1qas n ASP 685 Cb 1.00 -3.07 -0.16 0.00 -0.02 0.00 0.00 41.12 38.88 1qas n ASP 685 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1qas s MET 686 N -6.67 3.21 -0.08 -1.24 1.75 -0.64 -4.92 119.30 110.72 1qas s MET 686 Ca 0.31 -0.77 -0.06 0.00 -1.25 0.00 0.00 55.69 53.92 1qas s MET 686 Cb -0.16 -2.53 -0.04 0.00 2.84 0.00 0.00 34.83 34.94 1qas s MET 686 CO 0.89 0.12 0.16 -2.00 -0.65 0.00 0.00 175.02 173.54 1qas s GLU 687 N 0.54 3.44 0.37 4.11 2.12 -1.26 -0.21 118.70 127.81 1qas s GLU 687 Ca -0.11 -0.19 0.08 0.00 0.36 0.00 0.00 54.97 55.11 1qas s GLU 687 Cb -0.16 -3.16 -0.07 0.00 0.26 0.00 0.00 34.13 31.00 1qas s GLU 687 CO 0.04 0.74 -0.03 -0.06 -0.54 0.00 0.00 175.26 175.41 1qas s PHE 688 N -1.13 2.47 -0.16 5.30 0.08 0.12 -4.94 117.98 119.72 1qas s PHE 688 Ca 0.19 -0.55 -0.06 0.00 0.12 0.00 0.00 56.93 56.63 1qas s PHE 688 Cb -0.12 -1.56 0.07 0.00 -0.57 0.00 0.00 43.02 40.84 1qas s PHE 688 CO 0.09 0.51 0.32 -2.00 -0.10 0.00 0.00 175.22 174.04 1qas s GLU 689 N -3.67 0.21 0.09 0.44 2.12 -1.26 -1.95 118.70 114.68 1qas s GLU 689 Ca 0.34 0.86 0.09 0.00 0.36 0.00 0.00 54.97 56.62 1qas s GLU 689 Cb 0.05 0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.51 1qas s GLU 689 CO 0.18 -0.27 -0.19 -0.06 -0.54 0.00 0.00 175.26 174.37 1qas s PHE 690 N 2.49 2.52 -0.25 5.30 0.40 -0.20 -4.98 117.98 123.26 1qas s PHE 690 Ca 0.00 -0.28 -0.06 0.00 -0.60 0.00 0.00 56.93 55.99 1qas s PHE 690 Cb -0.12 -1.38 -0.02 0.00 0.51 0.00 0.00 43.02 42.02 1qas s PHE 690 CO -0.10 0.33 0.04 -2.00 0.70 0.00 0.00 175.22 174.19 1qas s GLU 691 N -1.87 3.49 -0.34 0.44 -6.30 -1.26 -1.19 118.70 111.67 1qas s GLU 691 Ca 0.16 -0.58 -0.01 0.00 -2.50 0.00 0.00 54.97 52.04 1qas s GLU 691 Cb -0.10 -3.26 0.08 0.00 0.00 0.00 0.00 34.13 30.84 1qas s GLU 691 CO 0.08 -0.24 0.07 0.08 0.02 0.00 0.00 175.26 175.27 1qas s VAL 692 N 1.56 2.98 0.20 3.70 1.01 -0.55 -4.76 120.40 124.54 1qas s VAL 692 Ca 0.06 -1.73 -0.00 0.00 0.00 0.00 0.00 61.98 60.31 1qas s VAL 692 Cb -0.15 -2.88 -0.07 0.00 0.00 0.00 0.00 36.38 33.27 1qas s VAL 692 CO 0.02 -0.36 1.49 0.71 0.00 0.00 0.00 175.10 176.96 1qas h THR 693 N 6.46 1.37 -2.61 3.92 1.35 -1.87 -1.48 112.91 120.04 1qas h THR 693 Ca -0.16 -2.00 -0.60 0.00 -0.55 0.00 0.00 66.41 63.10 1qas h THR 693 Cb 1.05 1.99 -0.41 0.00 -1.73 0.00 0.00 68.15 69.05 1qas h THR 693 CO 0.58 0.60 -0.72 0.52 -0.25 0.00 0.00 175.52 176.26 1qas n VAL 694 N -3.88 0.98 0.23 6.82 0.31 -1.26 -0.99 118.33 120.54 1qas n VAL 694 Ca -0.03 -4.57 0.14 0.00 -0.01 0.00 0.00 64.34 59.87 1qas n VAL 694 Cb 0.65 -2.03 0.80 0.00 -0.91 0.00 0.00 33.84 32.34 1qas n VAL 694 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1qas h PRO 695 N 5.00 0.00 0.00 5.55 0.11 -1.78 -2.81 132.00 138.07 1qas h PRO 695 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1qas h PRO 695 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1qas h PRO 695 CO 0.65 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.19 1qas n ASP 696 N -4.07 0.74 -0.54 -2.05 8.00 -1.26 -2.83 116.55 114.54 1qas n ASP 696 Ca -0.00 0.65 0.05 0.00 0.71 0.00 0.00 54.79 56.20 1qas n ASP 696 Cb 0.21 -0.82 0.11 0.00 -0.02 0.00 0.00 41.12 40.60 1qas n ASP 696 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1qas n LEU 697 N -2.28 2.49 -4.95 0.64 4.77 -1.06 -4.85 117.00 111.76 1qas n LEU 697 Ca 0.03 -1.59 -0.24 0.00 -0.03 0.00 0.00 56.01 54.18 1qas n LEU 697 Cb 0.28 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1qas n LEU 697 CO 0.23 0.57 -0.08 0.00 -1.33 0.00 0.00 177.39 176.78 1qas s ALA 698 N -0.96 3.94 -0.02 -1.18 0.00 -1.13 -4.23 121.76 118.18 1qas s ALA 698 Ca 0.18 -1.11 -0.03 0.00 0.00 0.00 0.00 51.96 51.01 1qas s ALA 698 Cb 0.11 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.48 1qas s ALA 698 CO 0.15 0.44 0.06 -0.51 0.00 0.00 0.00 175.76 175.89 1qas s LEU 699 N -3.48 1.79 -0.22 0.00 1.02 0.17 -1.69 118.68 116.28 1qas s LEU 699 Ca 0.34 -0.01 -0.06 0.00 0.02 0.00 0.00 54.13 54.42 1qas s LEU 699 Cb -0.10 0.27 -0.03 0.00 0.02 0.00 0.00 46.19 46.35 1qas s LEU 699 CO 0.28 -0.11 0.04 -0.69 0.02 0.00 0.00 176.35 175.89 1qas s VAL 700 N -0.38 4.24 -0.13 -1.59 1.01 0.76 -0.60 120.40 123.72 1qas s VAL 700 Ca -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1qas s VAL 700 Cb -0.03 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 1qas s VAL 700 CO 0.00 0.40 -0.14 -0.60 0.00 0.00 0.00 175.10 174.75 1qas s ARG 701 N 1.14 3.32 -0.19 2.72 3.52 0.16 -0.30 118.95 129.32 1qas s ARG 701 Ca 0.04 -0.72 -0.07 0.00 -0.13 0.00 0.00 55.73 54.85 1qas s ARG 701 Cb -0.14 -2.60 -0.04 0.00 -1.56 0.00 0.00 34.95 30.61 1qas s ARG 701 CO 0.02 0.17 0.06 -0.06 -0.81 0.00 0.00 175.30 174.69 1qas s PHE 702 N 0.44 3.22 -0.06 5.12 0.40 0.13 -0.94 117.98 126.29 1qas s PHE 702 Ca -0.11 0.01 0.01 0.00 -0.60 0.00 0.00 56.93 56.25 1qas s PHE 702 Cb -0.16 -2.09 0.02 0.00 0.51 0.00 0.00 43.02 41.30 1qas s PHE 702 CO 0.05 0.10 -0.07 1.41 0.70 0.00 0.00 175.22 177.41 1qas s MET 703 N 0.48 1.20 -0.18 0.44 1.75 0.13 -1.51 119.30 121.62 1qas s MET 703 Ca 0.03 -0.22 -0.02 0.00 -1.25 0.00 0.00 55.69 54.23 1qas s MET 703 Cb -0.13 -1.11 -0.01 0.00 2.84 0.00 0.00 34.83 36.43 1qas s MET 703 CO 0.01 -0.06 -0.11 0.08 -0.65 0.00 0.00 175.02 174.29 1qas s VAL 704 N 0.92 3.00 0.28 10.11 1.01 -0.45 0.11 120.40 135.38 1qas s VAL 704 Ca -0.11 -0.64 0.10 0.00 0.00 0.00 0.00 61.98 61.33 1qas s VAL 704 Cb -0.15 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 1qas s VAL 704 CO 0.01 0.48 -0.00 -1.61 0.00 0.00 0.00 175.10 173.97 1qas s GLU 705 N 1.04 2.23 -0.42 2.72 2.02 -0.24 -0.55 118.70 125.50 1qas s GLU 705 Ca -0.01 -1.49 -0.09 0.00 0.02 0.00 0.00 54.97 53.40 1qas s GLU 705 Cb -0.15 -2.11 0.08 0.00 0.10 0.00 0.00 34.13 32.05 1qas s GLU 705 CO -0.02 0.32 0.27 0.34 0.02 0.00 0.00 175.26 176.19 1qas s ASP 706 N -3.68 5.67 0.36 -0.19 2.15 0.23 -2.07 116.67 119.14 1qas s ASP 706 Ca 0.32 -1.52 -0.28 0.00 0.43 0.00 0.00 52.55 51.49 1qas s ASP 706 Cb -0.05 -2.00 -0.11 0.00 -0.30 0.00 0.00 42.92 40.46 1qas s ASP 706 CO 0.20 -0.55 1.44 -0.47 -0.17 0.00 0.00 175.17 175.62 1qas s TYR 707 N 1.43 2.73 -0.29 -5.34 5.04 0.32 -0.57 117.35 120.66 1qas s TYR 707 Ca 0.03 1.21 0.02 0.00 -2.44 0.00 0.00 57.07 55.89 1qas s TYR 707 Cb -0.23 -3.93 0.18 0.00 0.35 0.00 0.00 41.96 38.33 1qas s TYR 707 CO 0.02 -2.72 0.54 0.34 -1.34 0.00 0.00 175.55 172.39 1qas s ASP 708 N -0.19 -1.00 0.34 4.32 -1.08 -1.26 -4.64 116.67 113.16 1qas s ASP 708 Ca 0.52 0.34 0.10 0.00 -0.52 0.00 0.00 52.55 52.99 1qas s ASP 708 Cb -0.45 1.82 0.86 0.00 -1.46 0.00 0.00 42.92 43.69 1qas s ASP 708 CO 0.59 -0.29 1.80 0.77 0.52 0.00 0.00 175.17 178.55 1qas h SER 709 N 8.05 0.67 -2.47 -0.34 4.64 -1.94 -2.96 113.55 119.19 1qas h SER 709 Ca -0.12 0.08 -0.59 0.00 -0.47 0.00 0.00 61.79 60.69 1qas h SER 709 Cb 1.16 -0.04 -0.40 0.00 -0.31 0.00 0.00 62.40 62.82 1qas h SER 709 CO 0.22 0.23 -0.81 -1.20 -0.87 0.00 0.00 176.83 174.41 1qas n SER 710 N -4.69 1.56 0.00 4.97 7.64 -1.26 -4.66 113.62 117.18 1qas n SER 710 Ca 0.23 -2.91 0.00 0.00 1.01 0.00 0.00 58.87 57.20 1qas n SER 710 Cb 0.63 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 1qas n SER 710 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1qas n SER 711 N 1.88 0.00 -0.69 6.43 2.88 -1.23 -5.13 113.62 117.75 1qas n SER 711 Ca 0.25 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1qas n SER 711 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1qas n SER 711 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1qas n LYS 712 N 0.00 -1.99 -1.79 -1.46 0.00 -1.12 -4.91 118.16 106.89 1qas n LYS 712 Ca 0.00 1.48 -0.41 0.00 0.00 0.00 0.00 58.31 59.38 1qas n LYS 712 Cb 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 35.03 33.36 1qas n LYS 712 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1qas s ASN 713 N -2.64 6.29 -0.15 3.14 0.01 -1.26 -4.60 114.94 115.73 1qas s ASN 713 Ca 0.00 3.05 -0.15 0.00 -0.71 0.00 0.00 52.86 55.05 1qas s ASN 713 Cb 0.00 -2.67 -0.04 0.00 0.41 0.00 0.00 41.25 38.95 1qas s ASN 713 CO 0.00 -0.91 0.35 -1.81 -1.51 0.00 0.00 177.10 173.21 1qas s ASP 714 N -0.17 6.50 0.05 -1.22 1.11 0.26 -4.79 116.67 118.41 1qas s ASP 714 Ca 0.54 0.58 -0.30 0.00 0.18 0.00 0.00 52.55 53.55 1qas s ASP 714 Cb -0.46 -2.21 -0.09 0.00 1.07 0.00 0.00 42.92 41.23 1qas s ASP 714 CO 0.63 0.06 1.81 0.12 1.18 0.00 0.00 175.17 178.97 1qas s PHE 715 N 0.56 1.88 -0.24 4.23 2.19 -1.26 0.77 117.98 126.12 1qas s PHE 715 Ca 0.19 -0.06 -0.17 0.00 0.33 0.00 0.00 56.93 57.22 1qas s PHE 715 Cb -0.14 -4.11 -0.14 0.00 -1.31 0.00 0.00 43.02 37.33 1qas s PHE 715 CO 0.06 -4.71 -0.14 -0.89 1.83 0.00 0.00 175.22 171.37 1qas n ILE 716 N 5.14 1.52 -3.67 3.12 5.41 0.29 -4.88 119.36 126.29 1qas n ILE 716 Ca 0.18 -0.17 -0.02 0.00 1.00 0.00 0.00 62.75 63.73 1qas n ILE 716 Cb 0.40 -2.01 -0.01 0.00 -0.71 0.00 0.00 39.64 37.31 1qas n ILE 716 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1qas s GLY 717 N -5.14 -0.32 0.29 7.39 0.00 -1.13 -4.82 107.32 103.58 1qas s GLY 717 Ca -0.33 0.53 -0.17 0.00 0.00 0.00 0.00 44.72 44.75 1qas s GLY 717 CO 0.50 0.12 0.64 -0.86 0.00 0.00 0.00 173.10 173.51 1qas s GLN 718 N -2.92 1.77 -0.27 2.90 1.03 -0.13 -1.34 119.66 120.70 1qas s GLN 718 Ca 0.12 -1.16 -0.22 0.00 0.04 0.00 0.00 55.36 54.14 1qas s GLN 718 Cb 0.01 0.56 0.08 0.00 0.03 0.00 0.00 33.01 33.69 1qas s GLN 718 CO -0.02 -0.79 0.73 0.45 -2.54 0.00 0.00 175.29 173.12 1qas s SER 719 N -2.98 -0.79 -0.09 12.60 0.15 -0.57 0.83 113.70 122.84 1qas s SER 719 Ca 0.16 1.43 0.04 0.00 0.70 0.00 0.00 55.95 58.28 1qas s SER 719 Cb -0.04 1.41 0.00 0.00 -1.71 0.00 0.00 66.02 65.68 1qas s SER 719 CO 0.09 -0.24 -0.21 -0.89 1.20 0.00 0.00 173.24 173.19 1qas s THR 720 N 0.81 1.82 -0.10 6.45 2.01 -1.26 -0.70 115.64 124.67 1qas s THR 720 Ca -0.03 -0.88 -0.00 0.00 0.31 0.00 0.00 61.69 61.08 1qas s THR 720 Cb -0.05 -1.59 0.02 0.00 0.01 0.00 0.00 72.50 70.89 1qas s THR 720 CO -0.07 0.51 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.67 1qas s ILE 721 N 0.42 0.96 0.43 1.82 1.01 0.59 -4.62 121.20 121.81 1qas s ILE 721 Ca -0.18 -0.27 -0.26 0.00 0.00 0.00 0.00 60.65 59.95 1qas s ILE 721 Cb -0.17 -0.98 -0.09 0.00 0.01 0.00 0.00 42.46 41.23 1qas s ILE 721 CO 0.08 0.35 1.44 -2.65 0.00 0.00 0.00 174.94 174.16 1qas n PRO 722 N 4.77 2.34 -0.24 2.79 -0.02 -1.26 -0.17 135.00 143.21 1qas n PRO 722 Ca -0.14 0.83 -0.08 0.00 -2.02 0.00 0.00 63.50 62.10 1qas n PRO 722 Cb 0.50 -2.64 -0.07 0.00 -0.02 0.00 0.00 33.50 31.28 1qas n PRO 722 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1qas h TRP 723 N 2.43 -1.24 0.00 6.00 2.91 -1.56 0.82 115.95 125.31 1qas h TRP 723 Ca -0.51 0.08 0.00 0.00 1.13 0.00 0.00 58.89 59.59 1qas h TRP 723 Cb 1.26 0.62 0.00 0.00 -0.51 0.00 0.00 29.16 30.53 1qas h TRP 723 CO 0.50 -0.26 0.00 0.09 -1.03 0.00 0.00 178.44 177.74 1qas n ASN 724 N -4.49 0.00 -0.02 2.65 3.02 -1.26 -0.86 115.26 114.30 1qas n ASN 724 Ca 0.01 -0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1qas n ASN 724 Cb 0.18 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1qas n ASN 724 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1qas n SER 725 N -0.72 1.13 -4.57 6.41 7.64 0.26 -4.97 113.62 118.80 1qas n SER 725 Ca 0.01 -1.11 -0.43 0.00 1.01 0.00 0.00 58.87 58.35 1qas n SER 725 Cb 0.01 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1qas n SER 725 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1qas s LEU 726 N -0.13 3.77 0.37 -3.43 2.96 -0.04 -0.54 118.68 121.65 1qas s LEU 726 Ca 0.01 0.08 -0.24 0.00 -0.22 0.00 0.00 54.13 53.75 1qas s LEU 726 Cb 0.00 -3.18 -0.10 0.00 0.50 0.00 0.00 46.19 43.42 1qas s LEU 726 CO 0.01 -1.27 0.96 -0.54 -1.32 0.00 0.00 176.35 174.19 1qas s LYS 727 N 4.33 4.41 0.56 1.98 1.02 0.18 -4.97 119.74 127.24 1qas s LYS 727 Ca 0.40 1.29 -0.01 0.00 0.02 0.00 0.00 55.97 57.66 1qas s LYS 727 Cb -0.09 -2.56 0.03 0.00 -0.52 0.00 0.00 37.83 34.68 1qas s LYS 727 CO 0.26 0.12 0.81 -0.65 -0.92 0.00 0.00 175.35 174.96 1qas s GLN 728 N -2.48 2.66 2.02 1.68 -0.21 -1.26 -4.67 119.66 117.39 1qas s GLN 728 Ca 0.55 -0.53 0.00 0.00 0.02 0.00 0.00 55.36 55.41 1qas s GLN 728 Cb -0.16 -2.42 0.00 0.00 1.00 0.00 0.00 33.01 31.43 1qas s GLN 728 CO 0.21 -0.69 0.00 0.41 -2.12 0.00 0.00 175.29 173.10 1qas n GLY 729 N -2.41 -1.06 3.68 3.09 0.00 -0.19 -4.64 105.19 103.67 1qas n GLY 729 Ca 0.06 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 1qas n GLY 729 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qas s TYR 730 N 0.00 3.48 0.05 1.61 1.51 -1.26 -1.44 117.35 121.30 1qas s TYR 730 Ca 0.00 1.49 -0.07 0.00 -1.01 0.00 0.00 57.07 57.48 1qas s TYR 730 Cb 0.00 -3.14 -0.01 0.00 -0.11 0.00 0.00 41.96 38.71 1qas s TYR 730 CO 0.00 -0.24 0.14 1.03 -1.11 0.00 0.00 175.55 175.38 1qas s ARG 731 N 2.09 0.67 -0.20 -0.62 1.81 -0.47 -4.94 118.95 117.29 1qas s ARG 731 Ca 0.45 -0.76 -0.06 0.00 -1.72 0.00 0.00 55.73 53.64 1qas s ARG 731 Cb -0.18 0.27 -0.03 0.00 -0.45 0.00 0.00 34.95 34.56 1qas s ARG 731 CO 0.16 -0.19 0.03 -1.01 -0.68 0.00 0.00 175.30 173.61 1qas s HIS 732 N -2.87 3.11 -0.31 -0.53 3.76 -0.90 -0.96 115.29 116.59 1qas s HIS 732 Ca -0.03 -0.24 -0.21 0.00 -0.15 0.00 0.00 55.06 54.43 1qas s HIS 732 Cb 0.00 -2.10 -0.01 0.00 1.11 0.00 0.00 32.58 31.59 1qas s HIS 732 CO -0.06 -0.10 0.67 0.08 -0.85 0.00 0.00 174.74 174.47 1qas s VAL 733 N 0.84 4.90 -0.39 -0.90 1.01 0.26 -2.42 120.40 123.70 1qas s VAL 733 Ca 0.02 0.92 -0.20 0.00 0.00 0.00 0.00 61.98 62.71 1qas s VAL 733 Cb -0.14 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1qas s VAL 733 CO 0.02 -0.17 0.63 -1.00 0.00 0.00 0.00 175.10 174.58 1qas s HIS 734 N 2.69 3.11 0.48 5.22 3.76 -1.26 -1.15 115.29 128.14 1qas s HIS 734 Ca 0.27 0.15 -0.23 0.00 -0.15 0.00 0.00 55.06 55.11 1qas s HIS 734 Cb -0.15 -3.23 -0.07 0.00 1.11 0.00 0.00 32.58 30.24 1qas s HIS 734 CO 0.12 -0.74 1.21 -0.51 -0.85 0.00 0.00 174.74 173.97 1qas s LEU 735 N 2.75 3.97 0.16 0.89 1.43 -0.62 -4.76 118.68 122.50 1qas s LEU 735 Ca 0.23 2.41 0.09 0.00 -1.03 0.00 0.00 54.13 55.84 1qas s LEU 735 Cb -0.14 -4.26 -0.04 0.00 0.03 0.00 0.00 46.19 41.78 1qas s LEU 735 CO 0.17 -1.08 -0.15 -0.76 0.23 0.00 0.00 176.35 174.75 1qas s LEU 736 N -3.16 2.78 0.00 1.79 1.43 0.24 -1.39 118.68 120.38 1qas s LEU 736 Ca 0.66 -0.62 -0.06 0.00 -1.03 0.00 0.00 54.13 53.07 1qas s LEU 736 Cb -0.31 -1.53 0.14 0.00 0.03 0.00 0.00 46.19 44.51 1qas s LEU 736 CO 0.38 0.13 0.87 -1.54 0.23 0.00 0.00 176.35 176.42 1qas n SER 737 N 0.37 0.52 0.08 2.29 3.41 0.38 -0.95 113.62 119.72 1qas n SER 737 Ca -0.13 -1.59 0.04 0.00 -0.26 0.00 0.00 58.87 56.93 1qas n SER 737 Cb 0.54 -0.62 0.45 0.00 -0.26 0.00 0.00 64.21 64.32 1qas n SER 737 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1qas h LYS 738 N 0.00 0.35 -0.02 4.33 1.57 -1.89 -0.39 116.57 120.52 1qas h LYS 738 Ca -0.28 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1qas h LYS 738 Cb 0.90 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1qas h LYS 738 CO 0.24 0.30 0.00 0.27 -0.57 0.00 0.00 179.45 179.70 1qas n ASN 739 N -4.42 0.24 -0.06 0.86 6.94 -1.26 -4.62 115.26 112.93 1qas n ASN 739 Ca 0.01 -1.42 -0.01 0.00 -0.02 0.00 0.00 54.58 53.14 1qas n ASN 739 Cb 0.13 -0.01 -0.00 0.00 -2.36 0.00 0.00 39.78 37.53 1qas n ASN 739 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qas n GLY 740 N 0.86 0.49 3.74 4.83 0.00 -0.16 -5.02 105.19 109.92 1qas n GLY 740 Ca 0.15 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 1qas n GLY 740 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qas s ASP 741 N -2.40 6.74 0.05 1.61 1.11 -1.26 -4.70 116.67 117.83 1qas s ASP 741 Ca 0.00 0.88 -0.31 0.00 0.18 0.00 0.00 52.55 53.31 1qas s ASP 741 Cb 0.00 -2.30 -0.08 0.00 1.07 0.00 0.00 42.92 41.61 1qas s ASP 741 CO 0.00 0.03 1.62 -1.58 1.18 0.00 0.00 175.17 176.43 1qas s GLN 742 N 0.39 4.21 0.26 8.23 0.74 -1.26 -0.47 119.66 131.76 1qas s GLN 742 Ca 0.27 2.28 -0.30 0.00 0.05 0.00 0.00 55.36 57.66 1qas s GLN 742 Cb -0.16 -3.62 -0.10 0.00 1.10 0.00 0.00 33.01 30.23 1qas s GLN 742 CO 0.12 -0.72 1.45 -1.01 -0.55 0.00 0.00 175.29 174.57 1qas s HIS 743 N 2.69 2.99 0.29 1.67 3.76 -0.48 -4.90 115.29 121.31 1qas s HIS 743 Ca 0.73 1.02 0.02 0.00 -0.15 0.00 0.00 55.06 56.68 1qas s HIS 743 Cb -0.38 -3.84 0.58 0.00 1.11 0.00 0.00 32.58 30.05 1qas s HIS 743 CO 0.31 -2.71 1.82 -1.00 -0.85 0.00 0.00 174.74 172.31 1qas h PRO 744 N 4.94 0.93 0.00 8.40 0.13 -1.93 -3.31 132.00 141.15 1qas h PRO 744 Ca -0.46 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1qas h PRO 744 Cb 1.22 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1qas h PRO 744 CO 0.77 0.61 -0.01 -1.13 -0.23 0.00 0.00 178.00 178.01 1qas n SER 745 N -4.65 0.56 -4.67 1.44 3.41 -1.26 -5.06 113.62 103.40 1qas n SER 745 Ca 0.20 -1.32 -0.42 0.00 -0.26 0.00 0.00 58.87 57.07 1qas n SER 745 Cb 0.39 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.29 1qas n SER 745 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qas s ALA 746 N -0.30 3.54 0.23 7.33 0.00 -1.25 -4.51 121.76 126.81 1qas s ALA 746 Ca 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 51.96 51.90 1qas s ALA 746 Cb 0.00 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1qas s ALA 746 CO 0.00 -0.71 0.35 0.95 0.00 0.00 0.00 175.76 176.35 1qas s THR 747 N 2.30 0.00 -0.09 0.00 -4.23 -1.03 -1.59 115.64 111.01 1qas s THR 747 Ca 0.38 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 1qas s THR 747 Cb -0.16 -2.33 0.02 0.00 1.34 0.00 0.00 72.50 71.37 1qas s THR 747 CO 0.11 0.00 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.36 1qas s LEU 748 N -3.08 1.28 -0.07 4.79 1.43 -0.30 -1.05 118.68 121.67 1qas s LEU 748 Ca 0.29 -0.26 -0.25 0.00 -1.03 0.00 0.00 54.13 52.88 1qas s LEU 748 Cb 0.02 -0.76 -0.03 0.00 0.03 0.00 0.00 46.19 45.45 1qas s LEU 748 CO 0.11 -0.08 0.78 0.12 0.23 0.00 0.00 176.35 177.51 1qas s PHE 749 N 1.35 3.56 0.19 0.29 5.36 0.13 -0.57 117.98 128.29 1qas s PHE 749 Ca -0.02 1.33 -0.03 0.00 -0.96 0.00 0.00 56.93 57.25 1qas s PHE 749 Cb -0.14 -2.90 -0.03 0.00 -0.34 0.00 0.00 43.02 39.61 1qas s PHE 749 CO -0.04 0.01 0.18 0.14 -1.46 0.00 0.00 175.22 174.05 1qas s VAL 750 N 1.10 0.02 -0.08 3.12 -7.23 -0.14 -2.13 120.40 115.06 1qas s VAL 750 Ca 0.40 -1.85 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 1qas s VAL 750 Cb -0.18 -2.32 0.02 0.00 0.56 0.00 0.00 36.38 34.46 1qas s VAL 750 CO 0.19 -0.11 -0.07 -0.75 -0.31 0.00 0.00 175.10 174.05 1qas s LYS 751 N -4.10 1.28 -0.04 4.82 2.20 -0.74 -1.37 119.74 121.78 1qas s LYS 751 Ca 0.32 -0.21 0.04 0.00 -0.36 0.00 0.00 55.97 55.75 1qas s LYS 751 Cb 0.06 -1.26 -0.03 0.00 -1.51 0.00 0.00 37.83 35.08 1qas s LYS 751 CO 0.09 -0.14 -0.13 0.42 -0.36 0.00 0.00 175.35 175.22 1qas s ILE 752 N 1.24 3.14 -0.09 5.43 1.01 -0.52 -0.86 121.20 130.55 1qas s ILE 752 Ca -0.05 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.82 1qas s ILE 752 Cb -0.14 -2.26 0.05 0.00 0.01 0.00 0.00 42.46 40.13 1qas s ILE 752 CO -0.02 0.55 0.15 -0.55 0.00 0.00 0.00 174.94 175.06 1qas s SER 753 N -0.87 0.99 -0.21 3.58 0.15 -0.32 -1.02 113.70 116.00 1qas s SER 753 Ca 0.12 0.17 -0.03 0.00 0.70 0.00 0.00 55.95 56.92 1qas s SER 753 Cb -0.11 0.18 -0.01 0.00 -1.71 0.00 0.00 66.02 64.38 1qas s SER 753 CO 0.02 -0.26 -0.06 -0.63 1.20 0.00 0.00 173.24 173.51 1qas s ILE 754 N 2.27 3.31 -0.06 6.45 1.01 -1.26 -0.61 121.20 132.31 1qas s ILE 754 Ca 0.04 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.22 1qas s ILE 754 Cb -0.13 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 1qas s ILE 754 CO -0.06 0.44 -0.21 -1.10 0.00 0.00 0.00 174.94 174.01 1qas s GLN 755 N 1.29 2.54 0.00 2.79 -1.52 0.07 -4.95 119.66 119.87 1qas s GLN 755 Ca 0.03 -0.83 0.30 0.00 -1.95 0.00 0.00 55.36 52.91 1qas s GLN 755 Cb -0.14 -2.24 1.48 0.00 -0.22 0.00 0.00 33.01 31.89 1qas s GLN 755 CO -0.02 0.46 1.99 -0.25 -0.25 0.00 0.00 175.29 177.22