#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qas h LYS 206 N 0.00 0.00 0.00 -0.72 1.57 -1.97 0.28 116.57 115.73 1qas h LYS 206 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1qas h LYS 206 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1qas h LYS 206 CO 0.00 0.00 -1.20 -0.12 -0.57 0.00 0.00 179.45 177.56 1qas n MET 207 N -2.42 0.15 0.00 3.15 0.00 -1.26 -4.72 117.12 112.01 1qas n MET 207 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 57.70 57.75 1qas n MET 207 Cb 0.21 -0.75 0.00 0.00 0.00 0.00 0.00 33.22 32.68 1qas n MET 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1qas n LEU 208 N -3.39 0.00 0.00 -0.89 7.94 -1.00 -4.68 117.00 114.98 1qas n LEU 208 Ca -0.12 0.96 0.00 0.00 -1.11 0.00 0.00 56.01 55.74 1qas n LEU 208 Cb 0.52 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 44.01 1qas n LEU 208 CO 0.02 -0.46 0.00 0.35 -1.11 0.00 0.00 177.39 176.19 1qas n THR 209 N -2.28 0.00 -3.74 1.96 -2.24 0.95 -4.85 114.28 104.08 1qas n THR 209 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 1qas n THR 209 Cb 0.00 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.27 1qas n THR 209 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qas n GLN 210 N 0.00 -1.16 -3.27 -0.78 6.02 -1.20 -4.82 117.38 112.17 1qas n GLN 210 Ca 0.00 0.41 -0.41 0.00 -0.01 0.00 0.00 57.00 56.99 1qas n GLN 210 Cb 0.00 -3.94 -0.08 0.00 1.02 0.00 0.00 30.24 27.24 1qas n GLN 210 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1qas s ARG 211 N -6.17 3.65 0.19 -1.09 0.52 -1.26 -4.93 118.95 109.86 1qas s ARG 211 Ca 0.47 -0.16 -0.21 0.00 -0.52 0.00 0.00 55.73 55.30 1qas s ARG 211 Cb -0.18 -3.79 0.13 0.00 0.52 0.00 0.00 34.95 31.63 1qas s ARG 211 CO 0.88 -0.60 1.58 0.00 0.02 0.00 0.00 175.30 177.18 1qas h ALA 212 N 8.43 -0.05 0.00 2.13 0.00 -2.00 -0.02 119.26 127.75 1qas h ALA 212 Ca -0.28 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1qas h ALA 212 Cb 1.13 0.81 -0.00 0.00 0.00 0.00 0.00 17.79 19.73 1qas h ALA 212 CO 0.75 -0.68 -0.05 1.05 0.00 0.00 0.00 179.25 180.32 1qas h GLU 213 N -0.15 0.00 0.00 0.00 -0.00 -1.99 0.13 114.58 112.56 1qas h GLU 213 Ca 0.24 0.00 -0.10 0.00 -0.00 0.00 0.00 59.36 59.50 1qas h GLU 213 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.29 1qas h GLU 213 CO -0.71 0.05 -0.46 0.82 -0.00 0.00 0.00 179.01 178.72 1qas h ILE 214 N 0.00 1.30 -0.02 -1.06 1.08 -1.43 -2.13 117.51 115.26 1qas h ILE 214 Ca -0.00 -1.58 -0.11 0.00 -0.39 0.00 0.00 64.86 62.78 1qas h ILE 214 Cb 0.10 1.86 0.01 0.00 -3.07 0.00 0.00 36.82 35.72 1qas h ILE 214 CO 0.01 0.45 -0.42 0.44 -0.69 0.00 0.00 178.15 177.94 1qas h ASP 215 N 0.00 0.40 -0.86 1.72 3.32 -0.51 -1.94 116.42 118.54 1qas h ASP 215 Ca -0.00 -0.74 0.12 0.00 0.02 0.00 0.00 57.03 56.42 1qas h ASP 215 Cb 0.82 -0.12 -0.08 0.00 0.22 0.00 0.00 39.33 40.17 1qas h ASP 215 CO 0.06 1.08 0.48 -0.09 -1.72 0.00 0.00 179.24 179.05 1qas h ARG 216 N -0.25 0.73 0.00 3.56 1.12 -1.09 -0.77 114.38 117.67 1qas h ARG 216 Ca -0.05 -0.04 -0.20 0.00 -1.11 0.00 0.00 59.98 58.58 1qas h ARG 216 Cb 1.13 -0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 30.90 1qas h ARG 216 CO 0.08 0.48 -1.00 0.00 -3.11 0.00 0.00 179.97 176.43 1qas h ALA 217 N 1.51 0.42 -0.25 2.80 0.00 -1.43 -2.44 119.26 119.86 1qas h ALA 217 Ca 0.44 -0.90 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 1qas h ALA 217 Cb 0.50 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1qas h ALA 217 CO -0.30 1.20 -0.16 0.35 0.00 0.00 0.00 179.25 180.34 1qas h PHE 218 N 0.00 0.66 -0.46 0.00 3.57 -0.74 -2.90 116.94 117.06 1qas h PHE 218 Ca -0.03 -0.18 -0.10 0.00 3.53 0.00 0.00 57.97 61.20 1qas h PHE 218 Cb 1.74 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 40.32 1qas h PHE 218 CO 0.00 0.84 -0.11 0.93 -2.23 0.00 0.00 178.31 177.74 1qas h GLU 219 N 0.28 0.84 -0.12 1.11 5.08 -1.25 1.03 114.58 121.56 1qas h GLU 219 Ca 0.05 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1qas h GLU 219 Cb 0.69 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1qas h GLU 219 CO 0.05 0.91 0.18 1.49 -1.00 0.00 0.00 179.01 180.64 1qas h GLU 220 N 0.76 0.00 0.00 2.33 4.81 -1.35 0.51 114.58 121.63 1qas h GLU 220 Ca 0.13 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.10 1qas h GLU 220 Cb 0.61 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.94 1qas h GLU 220 CO 0.04 0.00 -1.95 0.00 -0.73 0.00 0.00 179.01 176.37 1qas n ALA 221 N -2.22 1.65 0.03 2.92 0.00 -0.58 -4.64 120.51 117.67 1qas n ALA 221 Ca 0.00 -0.86 -0.15 0.00 0.00 0.00 0.00 53.44 52.44 1qas n ALA 221 Cb 0.28 -0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.59 1qas n ALA 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qas h ALA 222 N 0.48 0.46 0.00 0.00 0.00 0.14 -3.46 119.26 116.89 1qas h ALA 222 Ca -0.37 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.27 1qas h ALA 222 Cb 1.77 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.97 1qas h ALA 222 CO -0.00 1.32 0.00 0.41 0.00 0.00 0.00 179.25 180.98 1qas n GLY 223 N 1.68 1.75 0.09 0.00 0.00 0.17 -3.22 105.19 105.68 1qas n GLY 223 Ca -0.19 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 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 7.45 0.75 -4.56 1.61 2.88 -1.26 -4.85 113.62 115.64 1qas n SER 224 Ca 0.00 0.28 -0.33 0.00 -1.33 0.00 0.00 58.87 57.48 1qas n SER 224 Cb 0.00 0.16 0.12 0.00 -0.75 0.00 0.00 64.21 63.74 1qas n SER 224 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qas n ALA 225 N -2.65 -1.26 0.86 -1.46 0.00 -1.20 -4.93 120.51 109.87 1qas n ALA 225 Ca -0.23 -0.44 0.10 0.00 0.00 0.00 0.00 53.44 52.88 1qas n ALA 225 Cb 1.08 -2.02 0.07 0.00 0.00 0.00 0.00 19.45 18.58 1qas n ALA 225 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1qas n GLU 226 N -2.42 1.80 -4.24 0.00 2.13 -1.26 -4.84 120.64 111.80 1qas n GLU 226 Ca 0.10 -1.60 -0.14 0.00 0.66 0.00 0.00 57.16 56.19 1qas n GLU 226 Cb 0.52 -1.39 -0.10 0.00 0.27 0.00 0.00 31.44 30.73 1qas n GLU 226 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1qas s THR 227 N -1.79 0.24 -0.24 6.31 2.01 -1.26 -4.55 115.64 116.37 1qas s THR 227 Ca 0.23 -1.99 -0.06 0.00 0.31 0.00 0.00 61.69 60.17 1qas s THR 227 Cb 0.17 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 1qas s THR 227 CO 0.29 -0.05 0.04 -0.76 -0.69 0.00 0.00 174.62 173.45 1qas s LEU 228 N -3.21 3.30 0.47 4.42 1.43 0.98 -4.78 118.68 121.29 1qas s LEU 228 Ca 0.37 -0.25 -0.18 0.00 -1.03 0.00 0.00 54.13 53.04 1qas s LEU 228 Cb 0.07 -1.87 -0.09 0.00 0.03 0.00 0.00 46.19 44.33 1qas s LEU 228 CO 0.12 -0.03 0.95 -0.94 0.23 0.00 0.00 176.35 176.69 1qas s SER 229 N 1.55 6.74 0.38 2.29 1.04 -1.26 0.57 113.70 125.01 1qas s SER 229 Ca 0.06 1.59 0.18 0.00 0.48 0.00 0.00 55.95 58.26 1qas s SER 229 Cb -0.15 -2.51 1.11 0.00 0.10 0.00 0.00 66.02 64.57 1qas s SER 229 CO 0.02 -0.48 1.72 0.58 0.98 0.00 0.00 173.24 176.06 1qas h VAL 230 N 1.34 0.43 -0.40 5.02 2.07 -1.92 0.44 116.25 123.22 1qas h VAL 230 Ca -0.48 -0.13 -0.11 0.00 0.82 0.00 0.00 66.70 66.81 1qas h VAL 230 Cb 1.18 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1qas h VAL 230 CO 0.62 0.07 -0.18 -0.33 0.02 0.00 0.00 177.57 177.76 1qas h GLU 231 N 0.37 0.76 0.00 1.57 3.07 -1.91 -1.39 114.58 117.06 1qas h GLU 231 Ca 0.66 -0.29 -0.15 0.00 -0.50 0.00 0.00 59.36 59.08 1qas h GLU 231 Cb 1.64 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.48 1qas h GLU 231 CO -0.40 0.89 -0.73 0.00 -1.40 0.00 0.00 179.01 177.36 1qas h ARG 232 N 0.68 0.00 -0.07 2.33 2.47 -0.59 -3.19 114.38 116.00 1qas h ARG 232 Ca 0.10 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.75 1qas h ARG 232 Cb 0.68 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.00 1qas h ARG 232 CO 0.05 0.73 -0.24 1.25 0.56 0.00 0.00 179.97 182.33 1qas h LEU 233 N 0.00 0.33 -1.57 3.04 5.85 -0.73 -2.66 115.31 119.58 1qas h LEU 233 Ca -0.01 -0.61 0.06 0.00 0.84 0.00 0.00 57.88 58.16 1qas h LEU 233 Cb 1.55 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 1qas h LEU 233 CO 0.10 0.89 0.37 0.58 -0.34 0.00 0.00 178.44 180.04 1qas h VAL 234 N -0.20 1.00 -0.46 1.05 2.07 -1.36 0.20 116.25 118.55 1qas h VAL 234 Ca -0.01 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 67.21 1qas h VAL 234 Cb 0.86 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1qas h VAL 234 CO 0.05 0.10 -0.16 0.74 0.02 0.00 0.00 177.57 178.31 1qas h THR 235 N 0.54 1.27 -0.40 2.57 2.02 -1.53 -2.18 112.91 115.19 1qas h THR 235 Ca 0.24 -1.31 -0.04 0.00 0.77 0.00 0.00 66.41 66.07 1qas h THR 235 Cb 0.27 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1qas h THR 235 CO -0.07 0.45 0.10 0.15 0.37 0.00 0.00 175.52 176.52 1qas h PHE 236 N 0.75 0.68 -0.79 3.16 3.57 -0.70 0.57 116.94 124.18 1qas h PHE 236 Ca 0.11 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1qas h PHE 236 Cb 0.72 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 1qas h PHE 236 CO 0.05 0.65 0.47 -0.07 -2.23 0.00 0.00 178.31 177.18 1qas h LEU 237 N 0.51 0.95 0.04 0.59 3.38 -0.61 0.16 115.31 120.34 1qas h LEU 237 Ca 0.13 -0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 1qas h LEU 237 Cb 0.31 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1qas h LEU 237 CO 0.00 0.73 -1.03 0.06 0.09 0.00 0.00 178.44 178.30 1qas h GLN 238 N 1.09 0.09 -0.05 1.13 3.07 -1.30 0.24 115.11 119.37 1qas h GLN 238 Ca 0.28 -0.15 -0.07 0.00 0.09 0.00 0.00 58.65 58.80 1qas h GLN 238 Cb -0.03 0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.59 1qas h GLN 238 CO -0.05 1.07 -0.25 1.25 0.09 0.00 0.00 178.83 180.94 1qas h HIS 239 N -0.74 0.34 0.00 0.06 2.76 -0.89 -2.67 115.15 114.01 1qas h HIS 239 Ca -0.25 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 57.77 1qas h HIS 239 Cb 1.40 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 30.31 1qas h HIS 239 CO 0.15 0.87 -0.27 1.96 -1.30 0.00 0.00 177.93 179.35 1qas h GLN 240 N -0.28 0.00 0.00 5.26 1.08 -0.88 -3.37 115.11 116.91 1qas h GLN 240 Ca -0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1qas h GLN 240 Cb 0.90 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1qas h GLN 240 CO 0.05 0.00 0.00 1.04 -0.95 0.00 0.00 178.83 178.97 1qas n GLN 241 N -4.40 0.59 -4.09 1.46 1.13 -0.56 -3.21 117.38 108.30 1qas n GLN 241 Ca -0.04 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.71 1qas n GLN 241 Cb 0.14 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 28.91 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 -1.01 -0.86 -2.47 -1.09 5.12 -0.87 -4.51 116.66 110.97 1qas n ARG 242 Ca 0.14 0.10 -0.42 0.00 -1.93 0.00 0.00 57.85 55.74 1qas n ARG 242 Cb 0.07 -3.52 -0.03 0.00 -1.16 0.00 0.00 32.46 27.82 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 -6.60 4.41 0.46 5.56 0.41 0.79 -4.92 118.70 118.82 1qas s GLU 243 Ca 0.32 1.69 0.26 0.00 -0.41 0.00 0.00 54.97 56.83 1qas s GLU 243 Cb -0.19 -3.45 0.94 0.00 -1.78 0.00 0.00 34.13 29.65 1qas s GLU 243 CO 0.87 -0.31 1.83 1.49 -0.49 0.00 0.00 175.26 178.64 1qas h GLU 244 N 7.08 0.00 -0.64 1.61 4.81 -1.88 -2.87 114.58 122.70 1qas h GLU 244 Ca -0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1qas h GLU 244 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1qas h GLU 244 CO 0.83 0.16 0.00 0.39 -0.73 0.00 0.00 179.01 179.66 1qas n GLU 245 N -3.27 2.61 -1.56 1.92 1.02 -1.26 -4.97 120.64 115.12 1qas n GLU 245 Ca 0.01 -2.49 -0.49 0.00 -0.02 0.00 0.00 57.16 54.17 1qas n GLU 245 Cb 0.42 -1.54 -0.06 0.00 -0.02 0.00 0.00 31.44 30.24 1qas n GLU 245 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qas n ALA 246 N 1.55 1.09 -3.26 0.62 0.00 -1.08 -4.48 120.51 114.96 1qas n ALA 246 Ca 0.23 0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.73 1qas n ALA 246 Cb 0.60 -2.59 0.01 0.00 0.00 0.00 0.00 19.45 17.46 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 5.63 0.89 0.34 0.00 0.00 -1.26 -4.93 105.19 105.86 1qas n GLY 247 Ca 0.33 -0.95 -0.03 0.00 0.00 0.00 0.00 46.02 45.36 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 1.08 -0.47 1.61 0.11 -1.91 -2.98 132.00 129.44 1qas h PRO 248 Ca -0.07 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1qas h PRO 248 Cb 0.33 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 1qas h PRO 248 CO 0.10 0.85 0.31 0.00 -0.21 0.00 0.00 178.00 179.04 1qas h ALA 249 N 1.30 0.59 0.34 -0.75 0.00 -1.96 0.23 119.26 119.01 1qas h ALA 249 Ca 0.26 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1qas h ALA 249 Cb 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1qas h ALA 249 CO -0.03 0.04 -0.16 1.25 0.00 0.00 0.00 179.25 180.35 1qas h LEU 250 N 0.63 -0.38 -1.66 0.00 5.85 -1.77 -2.00 115.31 115.97 1qas h LEU 250 Ca 0.17 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.84 1qas h LEU 250 Cb -0.07 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1qas h LEU 250 CO -0.04 -0.10 0.32 0.00 -0.34 0.00 0.00 178.44 178.29 1qas h ALA 251 N -0.10 1.92 -0.02 1.25 0.00 -1.45 -0.95 119.26 119.92 1qas h ALA 251 Ca -0.05 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 1qas h ALA 251 Cb 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1qas h ALA 251 CO 0.08 -0.01 -0.80 -0.07 0.00 0.00 0.00 179.25 178.45 1qas h LEU 252 N 0.41 0.27 -0.76 0.00 3.38 -0.86 -2.30 115.31 115.45 1qas h LEU 252 Ca 0.21 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1qas h LEU 252 Cb 0.31 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1qas h LEU 252 CO -0.05 0.96 -0.54 0.28 0.09 0.00 0.00 178.44 179.17 1qas h SER 253 N 0.13 0.23 0.45 -0.43 0.02 -0.46 -1.61 113.55 111.89 1qas h SER 253 Ca -0.03 -0.12 -0.18 0.00 -0.84 0.00 0.00 61.79 60.62 1qas h SER 253 Cb 1.39 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 1qas h SER 253 CO 0.12 0.73 -0.77 -0.07 -1.14 0.00 0.00 176.83 175.71 1qas h LEU 254 N 0.16 0.31 -0.07 5.07 3.38 -1.15 -0.55 115.31 122.47 1qas h LEU 254 Ca 0.00 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 1qas h LEU 254 Cb 1.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1qas h LEU 254 CO 0.08 0.96 -0.26 0.40 0.09 0.00 0.00 178.44 179.71 1qas h ILE 255 N 0.16 1.43 -0.54 1.22 2.04 -1.29 0.18 117.51 120.71 1qas h ILE 255 Ca -0.03 -1.66 -0.05 0.00 1.00 0.00 0.00 64.86 64.11 1qas h ILE 255 Cb 1.35 2.32 -0.02 0.00 -0.74 0.00 0.00 36.82 39.72 1qas h ILE 255 CO 0.12 0.47 0.12 -0.08 0.00 0.00 0.00 178.15 178.78 1qas h GLU 256 N -0.21 0.84 0.00 2.37 4.57 -1.33 -1.10 114.58 119.71 1qas h GLU 256 Ca -0.01 -0.18 -0.16 0.00 -1.18 0.00 0.00 59.36 57.83 1qas h GLU 256 Cb 0.90 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 1qas h GLU 256 CO 0.05 0.76 -0.76 -0.09 -1.18 0.00 0.00 179.01 177.80 1qas h ARG 257 N 0.80 0.00 0.00 1.92 2.43 -1.04 -3.40 114.38 115.10 1qas h ARG 257 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1qas h ARG 257 Cb 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1qas h ARG 257 CO 0.00 0.72 0.00 0.66 -1.51 0.00 0.00 179.97 179.84 1qas n TYR 258 N -3.27 0.00 -2.69 2.20 4.01 0.61 -5.01 117.16 113.01 1qas n TYR 258 Ca 0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.32 1qas n TYR 258 Cb 0.83 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.84 1qas n TYR 258 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1qas s GLU 259 N -0.53 4.26 -0.07 -0.72 2.56 -0.42 -4.19 118.70 119.58 1qas s GLU 259 Ca 0.00 1.31 -0.25 0.00 0.00 0.00 0.00 54.97 56.03 1qas s GLU 259 Cb 0.00 -3.64 -0.25 0.00 2.00 0.00 0.00 34.13 32.25 1qas s GLU 259 CO 0.00 -0.60 0.97 -1.00 -0.56 0.00 0.00 175.26 174.06 1qas h PRO 260 N 7.46 0.15 -6.45 4.30 0.13 -1.92 -3.45 132.00 132.22 1qas h PRO 260 Ca -0.20 -0.18 -0.53 0.00 -0.87 0.00 0.00 66.00 64.22 1qas h PRO 260 Cb 1.07 0.05 0.03 0.00 0.13 0.00 0.00 31.00 32.28 1qas h PRO 260 CO 0.96 0.96 1.09 0.45 -0.23 0.00 0.00 178.00 181.23 1qas s SER 261 N -6.35 6.51 0.15 1.44 0.15 -1.26 -4.91 113.70 109.43 1qas s SER 261 Ca -0.16 2.61 0.08 0.00 0.70 0.00 0.00 55.95 59.18 1qas s SER 261 Cb 0.00 -2.56 -0.10 0.00 -1.71 0.00 0.00 66.02 61.65 1qas s SER 261 CO 0.74 -0.97 1.34 -0.08 1.20 0.00 0.00 173.24 175.48 1qas h GLU 262 N 8.86 0.00 -0.15 5.44 4.22 -1.97 -2.87 114.58 128.10 1qas h GLU 262 Ca -0.45 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 58.96 1qas h GLU 262 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1qas h GLU 262 CO 0.94 0.92 -0.02 1.79 -2.18 0.00 0.00 179.01 180.46 1qas h THR 263 N 0.00 1.27 -0.38 0.32 1.35 -1.99 0.11 112.91 113.60 1qas h THR 263 Ca -0.01 -0.92 -0.08 0.00 -0.55 0.00 0.00 66.41 64.85 1qas h THR 263 Cb 1.64 1.58 -0.02 0.00 -1.73 0.00 0.00 68.15 69.62 1qas h THR 263 CO 0.12 0.27 -0.09 0.00 -0.25 0.00 0.00 175.52 175.57 1qas h ALA 264 N 0.73 1.13 0.00 6.62 0.00 -1.90 0.03 119.26 125.88 1qas h ALA 264 Ca 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1qas h ALA 264 Cb 0.43 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1qas h ALA 264 CO 0.01 0.55 -0.11 -0.22 0.00 0.00 0.00 179.25 179.47 1qas h LYS 265 N 0.60 0.00 0.15 0.00 3.64 -1.25 0.21 116.57 119.92 1qas h LYS 265 Ca 0.11 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.15 1qas h LYS 265 Cb 0.51 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1qas h LYS 265 CO 0.03 0.11 -1.72 0.00 -2.27 0.00 0.00 179.45 175.60 1qas h ALA 266 N 1.89 0.24 -0.50 5.00 0.00 0.76 -3.33 119.26 123.32 1qas h ALA 266 Ca -0.00 -1.18 -0.21 0.00 0.00 0.00 0.00 54.91 53.53 1qas h ALA 266 Cb 0.48 0.44 -0.12 0.00 0.00 0.00 0.00 17.79 18.58 1qas h ALA 266 CO 0.01 1.11 0.26 1.04 0.00 0.00 0.00 179.25 181.68 1qas n GLN 267 N -3.52 2.20 -4.02 0.00 6.02 -0.16 -4.92 117.38 112.98 1qas n GLN 267 Ca -0.23 -1.76 -0.43 0.00 -0.01 0.00 0.00 57.00 54.57 1qas n GLN 267 Cb 1.06 -1.76 0.02 0.00 1.02 0.00 0.00 30.24 30.58 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 -0.20 -0.48 -4.31 -1.09 1.74 -0.80 -4.97 116.66 106.55 1qas n ARG 268 Ca 0.29 0.20 -0.16 0.00 -0.77 0.00 0.00 57.85 57.41 1qas n ARG 268 Cb 1.06 -2.47 -0.10 0.00 -1.02 0.00 0.00 32.46 29.93 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 -6.97 1.35 -0.19 5.56 -0.21 0.67 -3.19 119.66 116.69 1qas s GLN 269 Ca 0.40 -1.72 -0.02 0.00 0.02 0.00 0.00 55.36 54.04 1qas s GLN 269 Cb -0.22 -0.29 0.06 0.00 1.00 0.00 0.00 33.01 33.55 1qas s GLN 269 CO 0.96 -0.25 0.02 1.41 -2.12 0.00 0.00 175.29 175.31 1qas s MET 270 N -4.00 0.75 0.92 2.91 -2.45 0.19 -4.26 119.30 113.37 1qas s MET 270 Ca 0.35 -0.42 -0.14 0.00 -1.25 0.00 0.00 55.69 54.22 1qas s MET 270 Cb 0.07 -2.05 0.16 0.00 1.25 0.00 0.00 34.83 34.26 1qas s MET 270 CO 0.12 -0.60 1.24 0.95 1.05 0.00 0.00 175.02 177.77 1qas s THR 271 N 1.82 1.97 0.48 10.11 -4.23 -1.26 -0.02 115.64 124.52 1qas s THR 271 Ca -0.01 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 60.72 1qas s THR 271 Cb -0.17 -2.93 0.27 0.00 1.34 0.00 0.00 72.50 71.00 1qas s THR 271 CO -0.08 0.00 2.10 0.50 -0.54 0.00 0.00 174.62 176.60 1qas h LYS 272 N -1.50 0.00 0.22 3.99 1.63 -1.99 -1.45 116.57 117.47 1qas h LYS 272 Ca -0.46 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.33 1qas h LYS 272 Cb 1.28 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 1qas h LYS 272 CO 0.50 0.10 -0.11 -0.44 -3.45 0.00 0.00 179.45 176.05 1qas h ASP 273 N 0.00 -0.25 -0.15 4.20 5.19 -1.97 -2.07 116.42 121.37 1qas h ASP 273 Ca -0.00 0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.46 1qas h ASP 273 Cb 0.21 0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 1qas h ASP 273 CO 0.01 -0.17 0.14 1.23 -3.12 0.00 0.00 179.24 177.33 1qas h GLY 274 N -0.33 0.00 0.76 2.75 0.00 -1.70 0.20 103.07 104.76 1qas h GLY 274 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1qas h GLY 274 CO 0.05 0.00 0.00 -2.75 0.00 0.00 0.00 176.54 173.84 1qas h PHE 275 N 0.00 0.19 -0.19 5.60 3.57 -1.22 -0.65 116.94 124.24 1qas h PHE 275 Ca 0.07 -0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.34 1qas h PHE 275 Cb 0.34 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1qas h PHE 275 CO 0.00 0.42 -0.66 1.25 -2.23 0.00 0.00 178.31 177.08 1qas h LEU 276 N -0.09 0.82 -0.66 0.59 5.85 -0.70 -1.26 115.31 119.85 1qas h LEU 276 Ca 0.03 -0.49 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 1qas h LEU 276 Cb 0.34 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1qas h LEU 276 CO 0.00 1.27 0.40 0.24 -0.34 0.00 0.00 178.44 180.01 1qas h MET 277 N 0.52 0.90 -0.46 1.25 2.86 -0.60 -1.19 114.93 118.21 1qas h MET 277 Ca -0.02 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 1qas h MET 277 Cb 1.26 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 1qas h MET 277 CO 0.13 0.64 0.02 -0.92 1.06 0.00 0.00 176.91 177.85 1qas h TYR 278 N 0.90 0.86 0.00 -0.22 3.20 -1.04 -1.55 116.97 119.12 1qas h TYR 278 Ca 0.24 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1qas h TYR 278 Cb -0.02 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.02 1qas h TYR 278 CO -0.02 0.83 0.00 -0.07 -1.64 0.00 0.00 178.16 177.26 1qas h LEU 279 N 0.65 0.00 0.00 2.82 3.38 -0.83 -2.07 115.31 119.26 1qas h LEU 279 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1qas h LEU 279 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1qas h LEU 279 CO 0.02 0.00 -0.90 0.18 0.09 0.00 0.00 178.44 177.83 1qas n LEU 280 N -2.83 0.87 0.00 1.67 4.77 -0.48 -3.59 117.00 117.41 1qas n LEU 280 Ca -0.00 -0.49 -0.26 0.00 -0.03 0.00 0.00 56.01 55.23 1qas n LEU 280 Cb 0.21 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.51 1qas n LEU 280 CO 0.22 0.22 0.60 -1.54 -1.33 0.00 0.00 177.39 175.56 1qas n SER 281 N -1.45 -1.33 -0.12 -1.43 3.41 -0.60 -4.85 113.62 107.25 1qas n SER 281 Ca 0.03 -1.18 -0.05 0.00 -0.26 0.00 0.00 58.87 57.41 1qas n SER 281 Cb 0.30 -0.87 0.14 0.00 -0.26 0.00 0.00 64.21 63.52 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 -2.39 1.07 0.00 7.33 0.00 -1.89 -2.24 119.26 121.12 1qas h ALA 282 Ca -0.36 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 1qas h ALA 282 Cb 1.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1qas h ALA 282 CO 0.24 0.59 -0.33 -0.44 0.00 0.00 0.00 179.25 179.31 1qas h ASP 283 N 0.76 0.00 -0.20 0.00 5.19 -1.93 -2.62 116.42 117.63 1qas h ASP 283 Ca 0.14 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1qas h ASP 283 Cb 0.48 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.99 1qas h ASP 283 CO 0.02 0.33 0.00 0.61 -3.12 0.00 0.00 179.24 177.08 1qas n GLY 284 N -0.51 0.83 3.76 2.75 0.00 -0.89 -4.94 105.19 106.19 1qas n GLY 284 Ca -0.02 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 1qas n GLY 284 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qas s ASN 285 N -1.66 6.59 0.26 1.61 3.84 -0.92 -2.26 114.94 122.41 1qas s ASN 285 Ca 0.34 2.80 0.22 0.00 0.21 0.00 0.00 52.86 56.43 1qas s ASN 285 Cb 0.20 -2.65 1.00 0.00 -0.55 0.00 0.00 41.25 39.26 1qas s ASN 285 CO 0.29 -0.71 1.66 0.00 -2.79 0.00 0.00 177.10 175.56 1qas n ALA 286 N 1.28 1.42 -2.58 1.71 0.00 -1.13 -4.38 120.51 116.83 1qas n ALA 286 Ca 0.03 0.12 -0.41 0.00 0.00 0.00 0.00 53.44 53.18 1qas n ALA 286 Cb 0.40 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.40 1qas n ALA 286 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1qas s PHE 287 N -3.38 3.23 -0.46 0.00 2.19 -1.26 -0.98 117.98 117.31 1qas s PHE 287 Ca 0.02 -0.45 -0.43 0.00 0.33 0.00 0.00 56.93 56.39 1qas s PHE 287 Cb 0.08 -2.49 -0.18 0.00 -1.31 0.00 0.00 43.02 39.12 1qas s PHE 287 CO 0.30 -0.47 2.00 0.45 1.83 0.00 0.00 175.22 179.33 1qas n SER 288 N 5.10 1.15 0.21 6.13 2.88 0.66 -4.82 113.62 124.92 1qas n SER 288 Ca -0.12 0.79 0.05 0.00 -1.33 0.00 0.00 58.87 58.25 1qas n SER 288 Cb 0.48 -0.96 0.48 0.00 -0.75 0.00 0.00 64.21 63.46 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 8.43 0.02 -2.08 2.46 5.85 -1.87 -1.13 115.31 126.99 1qas h LEU 289 Ca -0.22 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1qas h LEU 289 Cb 1.39 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.41 1qas h LEU 289 CO 1.05 0.22 -0.08 0.00 -0.34 0.00 0.00 178.44 179.28 1qas h ALA 290 N 1.78 1.35 -0.00 1.25 0.00 -1.95 -2.09 119.26 119.59 1qas h ALA 290 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1qas h ALA 290 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1qas h ALA 290 CO 0.03 0.11 -0.25 0.72 0.00 0.00 0.00 179.25 179.85 1qas n HIS 291 N -3.69 0.00 1.72 0.00 8.25 -0.43 -3.62 115.22 117.44 1qas n HIS 291 Ca -0.02 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.49 1qas n HIS 291 Cb 0.19 -0.26 0.22 0.00 1.12 0.00 0.00 29.99 31.27 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 -1.20 1.22 -4.34 -0.41 5.12 -0.79 -1.45 116.66 114.81 1qas n ARG 292 Ca 0.09 -0.34 -0.19 0.00 -1.93 0.00 0.00 57.85 55.48 1qas n ARG 292 Cb 0.32 -1.17 -0.10 0.00 -1.16 0.00 0.00 32.46 30.35 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 -1.89 1.32 -0.21 5.56 1.70 -1.24 -4.19 118.95 119.99 1qas s ARG 293 Ca 0.15 -1.54 -0.29 0.00 -0.47 0.00 0.00 55.73 53.58 1qas s ARG 293 Cb 0.08 -1.18 -0.02 0.00 -0.57 0.00 0.00 34.95 33.25 1qas s ARG 293 CO 0.12 0.21 1.49 0.08 -1.08 0.00 0.00 175.30 176.11 1qas s VAL 294 N -2.71 3.88 0.00 4.99 1.01 -1.26 -2.14 120.40 124.17 1qas s VAL 294 Ca 0.21 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.21 1qas s VAL 294 Cb -0.02 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1qas s VAL 294 CO 0.07 -0.28 0.23 0.00 0.00 0.00 0.00 175.10 175.11 1qas n TYR 295 N 7.79 0.00 -2.99 5.22 0.18 -1.26 -4.95 117.16 121.15 1qas n TYR 295 Ca 0.17 0.00 -0.23 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 39.42 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 -0.09 3.06 -0.06 -3.48 -0.21 -1.26 -5.02 119.66 112.60 1qas s GLN 296 Ca 0.00 -0.51 -0.30 0.00 0.02 0.00 0.00 55.36 54.58 1qas s GLN 296 Cb 0.00 -2.56 -0.05 0.00 1.00 0.00 0.00 33.01 31.39 1qas s GLN 296 CO 0.00 -0.27 1.63 0.34 -2.12 0.00 0.00 175.29 174.87 1qas s ASP 297 N -4.22 6.68 -0.32 5.90 -1.08 -1.26 -4.88 116.67 117.49 1qas s ASP 297 Ca 0.48 2.19 0.09 0.00 -0.52 0.00 0.00 52.55 54.80 1qas s ASP 297 Cb -0.10 -2.53 0.59 0.00 -1.46 0.00 0.00 42.92 39.41 1qas s ASP 297 CO 0.38 -0.92 1.63 0.23 0.52 0.00 0.00 175.17 177.01 1qas n MET 298 N 7.10 2.37 -0.11 4.34 2.81 -1.26 -4.53 117.12 127.84 1qas n MET 298 Ca 0.17 -3.08 0.04 0.00 -1.81 0.00 0.00 57.70 53.02 1qas n MET 298 Cb 0.43 -1.97 0.09 0.00 -0.71 0.00 0.00 33.22 31.06 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 -0.91 2.52 -4.94 7.83 8.00 -1.26 -1.34 116.55 126.46 1qas n ASP 299 Ca 0.40 -2.23 -0.24 0.00 0.71 0.00 0.00 54.79 53.42 1qas n ASP 299 Cb 1.23 -0.18 -0.01 0.00 -0.02 0.00 0.00 41.12 42.15 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 -1.40 3.48 0.74 -1.24 -1.52 -1.26 -4.73 119.66 113.72 1qas s GLN 300 Ca 0.15 -0.24 -0.16 0.00 -1.95 0.00 0.00 55.36 53.17 1qas s GLN 300 Cb 0.11 -2.60 0.01 0.00 -0.22 0.00 0.00 33.01 30.31 1qas s GLN 300 CO 0.06 0.07 0.96 -2.30 -0.25 0.00 0.00 175.29 173.83 1qas n PRO 301 N -1.89 0.44 -0.09 2.91 -0.02 -1.26 -3.97 135.00 131.13 1qas n PRO 301 Ca -0.04 0.21 0.18 0.00 -2.02 0.00 0.00 63.50 61.83 1qas n PRO 301 Cb 0.56 -2.22 0.59 0.00 -0.02 0.00 0.00 33.50 32.42 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 -0.37 0.20 0.00 2.45 3.38 -1.55 -0.39 115.31 119.04 1qas h LEU 302 Ca -0.47 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1qas h LEU 302 Cb 1.33 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1qas h LEU 302 CO 0.46 0.11 0.00 -1.54 0.09 0.00 0.00 178.44 177.56 1qas n SER 303 N -4.43 0.00 -0.67 -0.43 3.41 -1.26 -2.40 113.62 107.85 1qas n SER 303 Ca 0.12 0.44 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 1qas n SER 303 Cb 0.57 -0.47 0.36 0.00 -0.26 0.00 0.00 64.21 64.41 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 -1.47 0.17 -4.38 7.33 8.25 -0.16 -4.53 115.22 120.44 1qas n HIS 304 Ca 0.04 -0.09 -0.24 0.00 -0.26 0.00 0.00 57.72 57.17 1qas n HIS 304 Cb 0.16 0.00 -0.11 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 -1.83 2.06 -0.23 4.41 1.51 -1.01 -1.04 117.35 121.23 1qas s TYR 305 Ca 0.34 -0.41 -0.15 0.00 -1.01 0.00 0.00 57.07 55.84 1qas s TYR 305 Cb 0.19 -1.02 -0.04 0.00 -0.11 0.00 0.00 41.96 40.99 1qas s TYR 305 CO 0.29 0.42 0.35 -0.51 -1.11 0.00 0.00 175.55 175.00 1qas s LEU 306 N -2.70 4.11 -0.18 -1.29 1.43 0.05 -4.64 118.68 115.46 1qas s LEU 306 Ca 0.19 0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 53.58 1qas s LEU 306 Cb -0.07 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 1qas s LEU 306 CO 0.08 -0.09 0.08 -0.69 0.23 0.00 0.00 176.35 175.97 1qas s VAL 307 N 1.52 4.98 -0.17 -1.59 1.01 0.90 -2.12 120.40 124.93 1qas s VAL 307 Ca 0.16 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 1qas s VAL 307 Cb -0.15 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 1qas s VAL 307 CO 0.08 0.46 2.03 -0.55 0.00 0.00 0.00 175.10 177.12 1qas s SER 308 N 0.32 5.88 -0.06 3.32 0.15 -0.35 -4.38 113.70 118.57 1qas s SER 308 Ca 0.05 1.99 0.03 0.00 0.70 0.00 0.00 55.95 58.72 1qas s SER 308 Cb -0.12 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1qas s SER 308 CO -0.00 -1.61 -0.16 -0.44 1.20 0.00 0.00 173.24 172.23 1qas s SER 309 N 6.52 2.13 -0.15 5.45 0.01 -1.26 -0.28 113.70 126.12 1qas s SER 309 Ca 0.91 -0.36 -0.07 0.00 1.31 0.00 0.00 55.95 57.74 1qas s SER 309 Cb -0.33 -0.82 -0.04 0.00 0.21 0.00 0.00 66.02 65.03 1qas s SER 309 CO 0.36 0.10 0.10 -0.55 0.41 0.00 0.00 173.24 173.66 1qas s SER 310 N 0.36 6.00 -0.14 2.44 0.15 0.45 -2.05 113.70 120.90 1qas s SER 310 Ca -0.11 0.27 -0.09 0.00 0.70 0.00 0.00 55.95 56.72 1qas s SER 310 Cb -0.14 -1.97 -0.05 0.00 -1.71 0.00 0.00 66.02 62.15 1qas s SER 310 CO 0.04 0.29 0.17 -2.28 1.20 0.00 0.00 173.24 172.66 1qas s HIS 311 N -0.33 3.53 -0.98 3.44 5.04 -0.67 -3.97 115.29 121.35 1qas s HIS 311 Ca 0.10 0.49 -0.20 0.00 -1.54 0.00 0.00 55.06 53.92 1qas s HIS 311 Cb -0.12 -2.07 0.03 0.00 0.04 0.00 0.00 32.58 30.46 1qas s HIS 311 CO 0.01 0.53 0.37 0.09 -2.34 0.00 0.00 174.74 173.40 1qas n ASN 312 N 2.65 -2.02 -0.37 9.88 5.03 -1.26 -4.65 115.26 124.52 1qas n ASN 312 Ca -0.18 -0.98 0.28 0.00 0.87 0.00 0.00 54.58 54.58 1qas n ASN 312 Cb 0.54 -1.19 0.56 0.00 -1.02 0.00 0.00 39.78 38.67 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 -1.20 0.35 -0.22 3.41 2.02 -1.79 -1.66 112.91 113.82 1qas h THR 313 Ca -0.53 -0.09 0.06 0.00 0.77 0.00 0.00 66.41 66.63 1qas h THR 313 Cb 1.06 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1qas h THR 313 CO 0.43 0.05 0.21 0.10 0.37 0.00 0.00 175.52 176.67 1qas h TYR 314 N 0.26 0.00 -3.86 3.16 -0.00 -1.85 -3.38 116.97 111.30 1qas h TYR 314 Ca 0.69 0.00 -0.48 0.00 -0.00 0.00 0.00 58.73 58.94 1qas h TYR 314 Cb 1.94 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 38.66 1qas h TYR 314 CO -0.00 0.00 0.37 -0.51 -0.00 0.00 0.00 178.16 178.02 1qas s LEU 315 N -8.04 4.39 -0.01 0.10 1.43 -0.63 -0.91 118.68 115.02 1qas s LEU 315 Ca -0.05 1.95 0.15 0.00 -1.03 0.00 0.00 54.13 55.15 1qas s LEU 315 Cb 0.16 -3.92 -0.19 0.00 0.03 0.00 0.00 46.19 42.27 1qas s LEU 315 CO 0.60 -0.11 0.52 0.18 0.23 0.00 0.00 176.35 177.77 1qas n LEU 316 N 0.70 0.44 0.00 1.79 4.77 -0.64 -4.78 117.00 119.28 1qas n LEU 316 Ca 0.01 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1qas n LEU 316 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1qas n LEU 316 CO 0.47 0.11 0.00 -0.62 -1.33 0.00 0.00 177.39 176.02 1qas n GLU 317 N -1.59 0.00 -1.92 3.23 1.02 -1.26 -4.87 120.64 115.25 1qas n GLU 317 Ca 0.01 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.85 1qas n GLU 317 Cb 0.29 0.00 0.18 0.00 -0.02 0.00 0.00 31.44 31.89 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 1.06 3.18 0.00 1.62 -4.77 -1.26 -4.69 116.67 111.81 1qas s ASP 318 Ca 0.00 0.31 0.25 0.00 -3.30 0.00 0.00 52.55 49.81 1qas s ASP 318 Cb 0.00 -0.38 0.49 0.00 -1.09 0.00 0.00 42.92 41.94 1qas s ASP 318 CO 0.00 -2.70 1.40 0.00 0.70 0.00 0.00 175.17 174.57 1qas n GLN 319 N -3.75 0.19 -0.06 2.11 1.13 -0.41 -4.10 117.38 112.49 1qas n GLN 319 Ca 0.15 -0.11 -0.11 0.00 -1.94 0.00 0.00 57.00 54.99 1qas n GLN 319 Cb 0.60 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.40 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 -1.31 1.67 0.00 1.08 4.77 -1.26 -4.84 117.00 117.11 1qas n LEU 320 Ca 0.07 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1qas n LEU 320 Cb 0.34 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1qas n LEU 320 CO 0.34 0.42 0.19 0.35 -1.33 0.00 0.00 177.39 177.36 1qas n THR 321 N -3.26 0.00 -1.65 -5.08 -2.24 -1.26 0.44 114.28 101.23 1qas n THR 321 Ca -0.22 -0.40 -0.29 0.00 -2.27 0.00 0.00 64.05 60.87 1qas n THR 321 Cb 0.68 1.19 0.13 0.00 -2.10 0.00 0.00 70.33 70.23 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 -0.04 1.59 0.52 3.38 0.00 -1.26 -4.43 107.32 107.08 1qas s GLY 322 Ca 0.00 -0.60 -0.18 0.00 0.00 0.00 0.00 44.72 43.94 1qas s GLY 322 CO 0.00 -0.05 1.02 2.56 0.00 0.00 0.00 173.10 176.63 1qas s PRO 323 N -5.40 3.75 0.03 2.90 0.04 -1.26 -1.24 135.00 133.82 1qas s PRO 323 Ca 0.64 1.17 0.08 0.00 0.04 0.00 0.00 61.00 62.93 1qas s PRO 323 Cb -0.13 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 1qas s PRO 323 CO 0.52 -0.45 -0.23 -1.12 0.04 0.00 0.00 177.00 175.76 1qas s SER 324 N -2.55 3.42 -0.04 6.66 0.01 -1.25 -1.61 113.70 118.33 1qas s SER 324 Ca 0.63 -0.50 -0.28 0.00 1.31 0.00 0.00 55.95 57.11 1qas s SER 324 Cb -0.13 -0.44 0.06 0.00 0.21 0.00 0.00 66.02 65.72 1qas s SER 324 CO 0.27 0.27 0.62 -0.55 0.41 0.00 0.00 173.24 174.27 1qas s SER 325 N -1.20 -0.59 0.41 2.44 0.15 -0.08 -4.81 113.70 110.03 1qas s SER 325 Ca 0.12 0.61 0.13 0.00 0.70 0.00 0.00 55.95 57.52 1qas s SER 325 Cb -0.10 0.51 0.87 0.00 -1.71 0.00 0.00 66.02 65.58 1qas s SER 325 CO 0.03 -0.59 1.92 0.71 1.20 0.00 0.00 173.24 176.51 1qas h THR 326 N 3.12 1.19 -0.90 6.45 1.35 -1.95 -2.26 112.91 119.91 1qas h THR 326 Ca -0.27 -0.90 0.19 0.00 -0.55 0.00 0.00 66.41 64.87 1qas h THR 326 Cb 1.15 1.47 -0.07 0.00 -1.73 0.00 0.00 68.15 68.97 1qas h THR 326 CO 0.39 0.26 0.59 -0.33 -0.25 0.00 0.00 175.52 176.18 1qas h GLU 327 N 0.02 0.49 -0.49 4.72 5.08 -1.94 0.12 114.58 122.57 1qas h GLU 327 Ca 0.00 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1qas h GLU 327 Cb 0.46 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1qas h GLU 327 CO 0.03 0.32 0.11 0.00 -1.00 0.00 0.00 179.01 178.47 1qas h ALA 328 N 1.61 1.26 -0.11 3.43 0.00 -1.67 0.99 119.26 124.78 1qas h ALA 328 Ca 0.47 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1qas h ALA 328 Cb 1.03 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1qas h ALA 328 CO -0.20 0.51 -0.38 1.88 0.00 0.00 0.00 179.25 181.06 1qas h TYR 329 N 0.73 0.58 -0.05 0.00 0.05 -1.11 -2.62 116.97 114.55 1qas h TYR 329 Ca 0.16 -0.24 0.01 0.00 0.05 0.00 0.00 58.73 58.71 1qas h TYR 329 Cb 0.29 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 1qas h TYR 329 CO 0.02 0.99 -0.01 0.82 -1.05 0.00 0.00 178.16 178.92 1qas h ILE 330 N 0.02 0.96 -0.61 -2.88 2.04 -0.91 -0.72 117.51 115.41 1qas h ILE 330 Ca -0.02 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1qas h ILE 330 Cb 1.01 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 1qas h ILE 330 CO 0.08 0.00 0.37 0.03 0.00 0.00 0.00 178.15 178.63 1qas h ARG 331 N 0.01 0.71 -0.47 2.37 3.08 -0.90 -0.55 114.38 118.63 1qas h ARG 331 Ca 0.02 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1qas h ARG 331 Cb 0.03 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1qas h ARG 331 CO -0.05 0.47 0.24 0.00 -1.07 0.00 0.00 179.97 179.56 1qas h ALA 332 N 1.27 0.60 -0.43 0.04 0.00 -1.00 -2.33 119.26 117.41 1qas h ALA 332 Ca 0.25 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1qas h ALA 332 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1qas h ALA 332 CO -0.11 0.14 -0.18 -0.07 0.00 0.00 0.00 179.25 179.04 1qas h LEU 333 N 0.62 0.84 -1.85 0.00 3.38 -0.94 -1.09 115.31 116.27 1qas h LEU 333 Ca 0.16 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1qas h LEU 333 Cb 0.08 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1qas h LEU 333 CO -0.02 1.01 0.00 0.00 0.09 0.00 0.00 178.44 179.52 1qas n LYS 335 N -3.00 4.21 -0.81 0.00 5.02 -0.90 -4.83 118.16 117.86 1qas n LYS 335 Ca -0.00 -2.68 0.00 0.00 -2.02 0.00 0.00 58.31 53.61 1qas n LYS 335 Cb 0.22 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.08 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 0.46 1.25 3.67 0.72 0.00 0.24 -4.99 105.19 106.53 1qas n GLY 336 Ca 0.25 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.82 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 2.58 1.71 -3.70 0.00 5.12 0.62 -4.50 116.66 118.49 1qas n ARG 338 Ca 0.14 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.68 1qas n ARG 338 Cb 0.30 -1.34 -0.12 0.00 -1.16 0.00 0.00 32.46 30.14 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 1.48 3.52 -0.11 0.00 1.43 -0.31 -0.42 118.68 124.27 1qas s LEU 340 Ca 0.01 -0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1qas s LEU 340 Cb -0.19 -2.14 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 1qas s LEU 340 CO 0.04 0.22 -0.05 -1.61 0.23 0.00 0.00 176.35 175.19 1qas s GLU 341 N -1.97 3.21 -0.20 1.70 2.02 -1.25 -0.40 118.70 121.80 1qas s GLU 341 Ca 0.23 -0.52 -0.01 0.00 0.02 0.00 0.00 54.97 54.69 1qas s GLU 341 Cb -0.12 -2.76 0.05 0.00 0.10 0.00 0.00 34.13 31.41 1qas s GLU 341 CO 0.15 0.47 -0.02 -0.51 0.02 0.00 0.00 175.26 175.37 1qas s LEU 342 N -0.26 1.76 -0.59 1.80 1.02 -0.29 -3.48 118.68 118.64 1qas s LEU 342 Ca 0.04 -0.88 -0.20 0.00 0.02 0.00 0.00 54.13 53.11 1qas s LEU 342 Cb -0.13 -0.88 0.08 0.00 0.02 0.00 0.00 46.19 45.28 1qas s LEU 342 CO 0.02 -0.25 0.77 -1.81 0.02 0.00 0.00 176.35 175.11 1qas s ASP 343 N 1.64 6.20 -0.05 2.29 1.01 -1.26 -1.25 116.67 125.24 1qas s ASP 343 Ca -0.02 -1.13 -0.23 0.00 0.71 0.00 0.00 52.55 51.88 1qas s ASP 343 Cb -0.17 -2.34 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 1qas s ASP 343 CO -0.07 -1.16 0.68 0.00 0.21 0.00 0.00 175.17 174.83 1qas s TRP 345 N 0.60 1.11 0.19 0.00 0.52 -0.11 -0.44 118.94 120.80 1qas s TRP 345 Ca 0.36 -1.17 -0.30 0.00 0.02 0.00 0.00 56.10 55.01 1qas s TRP 345 Cb -0.18 -0.62 -0.08 0.00 -1.15 0.00 0.00 33.47 31.44 1qas s TRP 345 CO 0.18 -0.40 1.11 -0.51 0.02 0.00 0.00 176.95 177.35 1qas s ASP 346 N -3.14 7.25 0.28 2.95 1.01 -1.26 -0.83 116.67 122.93 1qas s ASP 346 Ca 0.28 2.12 0.07 0.00 0.71 0.00 0.00 52.55 55.73 1qas s ASP 346 Cb 0.07 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.34 1qas s ASP 346 CO 0.05 -0.23 -0.08 -0.83 0.21 0.00 0.00 175.17 174.30 1qas s GLY 347 N -0.16 1.83 0.15 0.21 0.00 -1.03 -4.66 107.32 103.66 1qas s GLY 347 Ca 0.49 -1.90 -0.34 0.00 0.00 0.00 0.00 44.72 42.97 1qas s GLY 347 CO 0.36 -1.86 1.41 -1.05 0.00 0.00 0.00 173.10 171.95 1qas n PRO 348 N -0.59 1.65 -3.10 2.90 -0.02 -1.26 -3.29 135.00 131.30 1qas n PRO 348 Ca -0.06 0.59 -0.14 0.00 -2.02 0.00 0.00 63.50 61.88 1qas n PRO 348 Cb 0.63 -2.26 0.06 0.00 -0.02 0.00 0.00 33.50 31.91 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 2.70 -3.23 -1.63 2.55 5.03 -1.26 -3.62 115.26 115.80 1qas n ASN 349 Ca 0.16 -0.41 -0.20 0.00 0.87 0.00 0.00 54.58 55.01 1qas n ASN 349 Cb 0.25 -3.67 -0.08 0.00 -1.02 0.00 0.00 39.78 35.26 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 -3.34 -1.45 -3.91 3.52 1.13 -1.21 -4.97 117.38 107.15 1qas n GLN 350 Ca -0.12 1.15 -0.35 0.00 -1.94 0.00 0.00 57.00 55.74 1qas n GLN 350 Cb 0.59 -5.54 -0.14 0.00 0.11 0.00 0.00 30.24 25.26 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 -3.77 2.83 0.61 -1.09 0.41 -1.23 -4.87 118.70 111.59 1qas s GLU 351 Ca 0.00 -1.00 -0.19 0.00 -0.41 0.00 0.00 54.97 53.37 1qas s GLU 351 Cb 0.00 -3.10 -0.03 0.00 -1.78 0.00 0.00 34.13 29.22 1qas s GLU 351 CO 0.00 -0.45 1.28 -1.25 -0.49 0.00 0.00 175.26 174.36 1qas s PRO 352 N 1.35 2.82 0.34 0.39 0.04 -1.26 -2.48 135.00 136.21 1qas s PRO 352 Ca -0.00 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.11 1qas s PRO 352 Cb -0.17 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 1qas s PRO 352 CO -0.02 -1.38 0.06 0.96 0.04 0.00 0.00 177.00 176.66 1qas s ILE 353 N -1.42 1.13 -0.05 0.56 -4.36 -0.01 -2.05 121.20 115.00 1qas s ILE 353 Ca 0.78 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 59.19 1qas s ILE 353 Cb -0.36 -2.72 0.01 0.00 1.25 0.00 0.00 42.46 40.64 1qas s ILE 353 CO 0.40 0.00 -0.09 -0.63 0.24 0.00 0.00 174.94 174.86 1qas s ILE 354 N -3.26 0.85 0.03 8.37 1.01 0.76 -0.93 121.20 128.03 1qas s ILE 354 Ca 0.34 -0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.37 1qas s ILE 354 Cb 0.08 -0.80 0.11 0.00 0.01 0.00 0.00 42.46 41.86 1qas s ILE 354 CO 0.15 0.29 1.22 -0.72 0.00 0.00 0.00 174.94 175.87 1qas s TYR 355 N 0.64 -0.05 -0.54 3.97 1.13 -1.19 -1.66 117.35 119.66 1qas s TYR 355 Ca -0.11 -0.11 -0.24 0.00 -1.41 0.00 0.00 57.07 55.20 1qas s TYR 355 Cb -0.14 0.57 0.04 0.00 -1.10 0.00 0.00 41.96 41.33 1qas s TYR 355 CO 0.02 -0.41 0.92 -1.58 -2.51 0.00 0.00 175.55 171.99 1qas s HIS 356 N -2.54 2.82 0.11 -3.49 5.65 -1.26 -4.70 115.29 111.88 1qas s HIS 356 Ca 0.15 -0.01 -0.33 0.00 0.25 0.00 0.00 55.06 55.12 1qas s HIS 356 Cb 0.03 -4.03 -0.18 0.00 -1.18 0.00 0.00 32.58 27.22 1qas s HIS 356 CO -0.02 -1.31 0.77 0.41 -0.65 0.00 0.00 174.74 173.94 1qas n GLY 357 N 5.10 -1.08 3.27 1.59 0.00 -1.26 -3.11 105.19 109.70 1qas n GLY 357 Ca 0.02 0.53 -0.22 0.00 0.00 0.00 0.00 46.02 46.35 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 0.68 -2.40 -4.13 1.61 4.01 -1.26 -5.01 117.16 110.67 1qas n TYR 358 Ca 0.19 0.78 -0.11 0.00 -0.16 0.00 0.00 57.90 58.60 1qas n TYR 358 Cb 0.17 -4.64 -0.08 0.00 -0.31 0.00 0.00 39.34 34.49 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 -3.24 0.00 -0.66 -0.72 -4.23 -1.18 -5.04 115.64 100.56 1qas s THR 359 Ca 0.45 -1.77 0.04 0.00 -1.18 0.00 0.00 61.69 59.24 1qas s THR 359 Cb -0.20 -2.40 0.28 0.00 1.34 0.00 0.00 72.50 71.52 1qas s THR 359 CO 0.56 0.00 0.98 0.49 -0.54 0.00 0.00 174.62 176.11 1qas n PHE 360 N -0.34 0.77 -2.29 3.99 3.72 0.17 -4.92 117.46 118.56 1qas n PHE 360 Ca 0.01 -0.34 -0.41 0.00 -0.05 0.00 0.00 57.45 56.66 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 -1.55 3.12 0.66 4.37 -4.23 -0.75 -4.42 115.64 112.84 1qas s THR 361 Ca 0.19 1.10 -0.18 0.00 -1.18 0.00 0.00 61.69 61.63 1qas s THR 361 Cb 0.15 -3.70 -0.01 0.00 1.34 0.00 0.00 72.50 70.27 1qas s THR 361 CO 0.05 0.25 1.19 -0.24 -0.54 0.00 0.00 174.62 175.33 1qas n SER 362 N 1.17 1.58 -4.67 3.99 2.88 -0.37 -4.72 113.62 113.48 1qas n SER 362 Ca 0.00 0.79 -0.31 0.00 -1.33 0.00 0.00 58.87 58.02 1qas n SER 362 Cb 0.43 -1.50 -0.08 0.00 -0.75 0.00 0.00 64.21 62.30 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 -3.29 2.58 0.05 -1.46 1.02 -1.26 -3.94 119.74 113.44 1qas s LYS 363 Ca 0.80 -0.79 -0.01 0.00 0.02 0.00 0.00 55.97 56.00 1qas s LYS 363 Cb -0.38 -2.55 -0.04 0.00 -0.52 0.00 0.00 37.83 34.34 1qas s LYS 363 CO 0.43 0.56 -0.04 0.96 -0.92 0.00 0.00 175.35 176.35 1qas s ILE 364 N -1.23 0.28 0.28 2.17 -4.36 -0.66 -4.97 121.20 112.71 1qas s ILE 364 Ca 0.23 -1.76 -0.29 0.00 -0.26 0.00 0.00 60.65 58.58 1qas s ILE 364 Cb -0.12 -1.45 -0.09 0.00 1.25 0.00 0.00 42.46 42.05 1qas s ILE 364 CO 0.15 -0.94 0.99 -0.76 0.24 0.00 0.00 174.94 174.62 1qas s LEU 365 N -2.83 4.52 0.23 0.37 1.43 -1.26 -0.17 118.68 120.97 1qas s LEU 365 Ca 0.06 2.02 -0.07 0.00 -1.03 0.00 0.00 54.13 55.11 1qas s LEU 365 Cb 0.06 -3.74 0.26 0.00 0.03 0.00 0.00 46.19 42.81 1qas s LEU 365 CO -0.09 -0.02 1.87 0.15 0.23 0.00 0.00 176.35 178.50 1qas h PHE 366 N 3.74 1.00 -0.45 0.29 3.57 -1.69 -2.16 116.94 121.24 1qas h PHE 366 Ca -0.46 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 60.98 1qas h PHE 366 Cb 1.20 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 1qas h PHE 366 CO 0.60 0.56 -0.06 0.00 -2.23 0.00 0.00 178.31 177.18 1qas h ASP 368 N 0.72 -0.04 -0.89 0.00 3.32 -1.85 -2.28 116.42 115.40 1qas h ASP 368 Ca 0.13 -0.23 0.15 0.00 0.02 0.00 0.00 57.03 57.10 1qas h ASP 368 Cb 0.53 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.02 1qas h ASP 368 CO 0.03 0.21 0.57 0.58 -1.72 0.00 0.00 179.24 178.91 1qas h VAL 369 N -0.28 0.81 0.00 -1.35 2.07 -1.25 -0.77 116.25 115.48 1qas h VAL 369 Ca -0.00 -0.22 -0.13 0.00 0.82 0.00 0.00 66.70 67.16 1qas h VAL 369 Cb 0.26 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1qas h VAL 369 CO 0.01 0.12 -0.62 -0.07 0.02 0.00 0.00 177.57 177.03 1qas h LEU 370 N 0.65 0.00 -0.26 2.57 3.38 -1.14 -1.40 115.31 119.11 1qas h LEU 370 Ca 0.45 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.22 1qas h LEU 370 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1qas h LEU 370 CO -0.20 0.62 -0.61 0.03 0.09 0.00 0.00 178.44 178.37 1qas h ARG 371 N 0.00 0.87 -0.11 1.13 3.08 -0.58 -0.03 114.38 118.73 1qas h ARG 371 Ca -0.01 -0.59 -0.01 0.00 0.07 0.00 0.00 59.98 59.45 1qas h ARG 371 Cb 1.15 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 1qas h ARG 371 CO 0.08 1.22 0.04 0.00 -1.07 0.00 0.00 179.97 180.24 1qas h ALA 372 N 0.65 0.14 -0.73 0.04 0.00 -1.26 -1.94 119.26 116.16 1qas h ALA 372 Ca -0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1qas h ALA 372 Cb 1.22 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1qas h ALA 372 CO 0.13 -0.27 0.30 0.82 0.00 0.00 0.00 179.25 180.23 1qas h ILE 373 N 0.01 1.24 -0.81 0.00 2.04 -1.24 -1.96 117.51 116.78 1qas h ILE 373 Ca 0.04 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 1qas h ILE 373 Cb 0.19 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 1qas h ILE 373 CO -0.00 0.31 0.44 -0.09 0.00 0.00 0.00 178.15 178.80 1qas h ARG 374 N 1.05 1.14 -0.33 2.37 2.43 -0.76 -0.12 114.38 120.15 1qas h ARG 374 Ca 0.24 -0.14 -0.17 0.00 -0.81 0.00 0.00 59.98 59.11 1qas h ARG 374 Cb 0.19 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1qas h ARG 374 CO -0.02 0.84 -0.45 -0.44 -1.51 0.00 0.00 179.97 178.39 1qas h ASP 375 N 1.13 0.93 -0.01 -3.80 3.32 -0.89 -3.34 116.42 113.75 1qas h ASP 375 Ca 0.28 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1qas h ASP 375 Cb 0.05 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.33 1qas h ASP 375 CO -0.04 1.24 -0.22 -1.22 -1.72 0.00 0.00 179.24 177.27 1qas n TYR 376 N -4.03 0.00 -0.28 4.55 4.02 -0.78 -4.73 117.16 115.90 1qas n TYR 376 Ca -0.03 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.95 1qas n TYR 376 Cb 0.57 0.00 0.22 0.00 -0.02 0.00 0.00 39.34 40.11 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 2.87 0.99 -0.13 -0.72 0.00 -1.14 -2.52 119.26 118.61 1qas h ALA 377 Ca 0.00 0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1qas h ALA 377 Cb 0.58 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1qas h ALA 377 CO 0.00 -0.44 -0.17 1.19 0.00 0.00 0.00 179.25 179.83 1qas n PHE 378 N -5.31 0.43 -0.02 0.00 3.72 -1.26 -4.67 117.46 110.36 1qas n PHE 378 Ca 0.17 -1.28 -0.13 0.00 -0.05 0.00 0.00 57.45 56.17 1qas n PHE 378 Cb 0.57 -0.29 -0.09 0.00 -0.94 0.00 0.00 39.48 38.73 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 0.84 0.08 0.00 -1.08 1.79 -1.74 -3.28 116.57 113.19 1qas h LYS 379 Ca 0.06 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1qas h LYS 379 Cb 1.24 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1qas h LYS 379 CO 0.14 0.46 -0.63 0.00 -1.08 0.00 0.00 179.45 178.34 1qas n ALA 380 N -2.32 3.70 -3.60 3.86 0.00 -1.26 -4.96 120.51 115.93 1qas n ALA 380 Ca -0.08 -0.39 -0.10 0.00 0.00 0.00 0.00 53.44 52.87 1qas n ALA 380 Cb 0.23 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 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 -3.14 -0.44 0.00 0.00 0.15 -1.23 -4.62 113.70 104.42 1qas s SER 381 Ca 0.10 0.68 0.27 0.00 0.70 0.00 0.00 55.95 57.70 1qas s SER 381 Cb 0.17 0.63 0.96 0.00 -1.71 0.00 0.00 66.02 66.07 1qas s SER 381 CO 0.74 -0.26 1.70 -0.81 1.20 0.00 0.00 173.24 175.80 1qas n PRO 382 N 1.52 0.57 -2.68 5.44 -0.04 -1.26 -4.12 135.00 134.43 1qas n PRO 382 Ca -0.12 -0.26 -0.34 0.00 -0.04 0.00 0.00 63.50 62.74 1qas n PRO 382 Cb 0.57 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.48 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 -2.61 3.19 0.31 0.54 2.02 -1.26 -0.29 117.35 119.25 1qas s TYR 383 Ca 0.23 1.61 -0.27 0.00 -0.37 0.00 0.00 57.07 58.27 1qas s TYR 383 Cb 0.19 -2.97 -0.14 0.00 -0.40 0.00 0.00 41.96 38.65 1qas s TYR 383 CO 0.53 -0.44 1.00 -0.35 -1.57 0.00 0.00 175.55 174.72 1qas n PRO 384 N -0.67 1.34 -4.50 -1.71 -0.04 -1.23 -4.67 135.00 123.52 1qas n PRO 384 Ca 0.08 0.47 -0.34 0.00 -0.04 0.00 0.00 63.50 63.66 1qas n PRO 384 Cb 0.53 -1.86 -0.10 0.00 -0.04 0.00 0.00 33.50 32.02 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 -1.10 3.99 -0.15 0.52 -7.23 -1.05 -4.85 120.40 110.53 1qas s VAL 385 Ca 0.59 -0.37 -0.05 0.00 -1.81 0.00 0.00 61.98 60.34 1qas s VAL 385 Cb -0.68 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.57 1qas s VAL 385 CO 0.60 0.60 0.00 -0.63 -0.31 0.00 0.00 175.10 175.36 1qas s ILE 386 N -0.85 4.27 -0.42 -0.62 1.01 0.55 -1.53 121.20 123.62 1qas s ILE 386 Ca 0.13 -0.23 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 1qas s ILE 386 Cb -0.11 -2.88 0.08 0.00 0.01 0.00 0.00 42.46 39.56 1qas s ILE 386 CO 0.02 0.50 0.25 -0.76 0.00 0.00 0.00 174.94 174.95 1qas s LEU 387 N 0.13 5.14 -0.42 2.97 1.43 0.29 -1.16 118.68 127.06 1qas s LEU 387 Ca 0.01 -1.56 -0.28 0.00 -1.03 0.00 0.00 54.13 51.27 1qas s LEU 387 Cb -0.13 -1.96 0.02 0.00 0.03 0.00 0.00 46.19 44.15 1qas s LEU 387 CO 0.02 -0.53 1.07 -0.94 0.23 0.00 0.00 176.35 176.19 1qas s SER 388 N 2.09 6.71 -0.18 2.29 1.04 0.46 -1.07 113.70 125.02 1qas s SER 388 Ca 0.03 0.60 -0.14 0.00 0.48 0.00 0.00 55.95 56.93 1qas s SER 388 Cb -0.23 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.32 1qas s SER 388 CO 0.01 -1.07 0.30 -0.76 0.98 0.00 0.00 173.24 172.70 1qas s LEU 389 N 4.02 4.20 -0.66 2.42 1.43 0.73 -1.14 118.68 129.68 1qas s LEU 389 Ca 0.45 0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 53.97 1qas s LEU 389 Cb -0.09 -2.37 0.17 0.00 0.03 0.00 0.00 46.19 43.93 1qas s LEU 389 CO 0.25 0.05 0.48 -0.70 0.23 0.00 0.00 176.35 176.66 1qas s GLU 390 N 0.76 2.66 -0.13 1.70 2.12 -0.38 -4.48 118.70 120.96 1qas s GLU 390 Ca 0.16 -2.64 -0.29 0.00 0.36 0.00 0.00 54.97 52.55 1qas s GLU 390 Cb -0.13 -3.76 -0.01 0.00 0.26 0.00 0.00 34.13 30.48 1qas s GLU 390 CO 0.05 -1.19 1.11 1.21 -0.54 0.00 0.00 175.26 175.90 1qas s ASN 391 N 0.55 7.12 0.00 -1.70 3.04 -1.26 -1.41 114.94 121.27 1qas s ASN 391 Ca 0.18 1.60 0.00 0.00 0.04 0.00 0.00 52.86 54.69 1qas s ASN 391 Cb -0.19 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 36.97 1qas s ASN 391 CO -0.04 -0.58 0.68 1.41 -3.04 0.00 0.00 177.10 175.53 1qas n HIS 392 N 5.58 0.00 -1.59 0.43 8.25 0.41 -4.98 115.22 123.32 1qas n HIS 392 Ca 0.11 -0.23 -0.31 0.00 -0.26 0.00 0.00 57.72 57.02 1qas n HIS 392 Cb 0.47 -0.02 0.05 0.00 1.12 0.00 0.00 29.99 31.61 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 -3.47 3.59 0.50 0.00 1.04 -1.26 -4.75 113.70 109.34 1qas s SER 394 Ca 0.60 0.88 0.17 0.00 0.48 0.00 0.00 55.95 58.08 1qas s SER 394 Cb -0.15 -1.40 1.21 0.00 0.10 0.00 0.00 66.02 65.77 1qas s SER 394 CO 0.51 -2.49 2.09 -0.07 0.98 0.00 0.00 173.24 174.26 1qas h LEU 395 N -1.46 0.00 0.01 2.42 3.38 -1.96 -0.07 115.31 117.63 1qas h LEU 395 Ca -0.49 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.28 1qas h LEU 395 Cb 1.33 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.09 1qas h LEU 395 CO 0.61 0.08 -0.77 -0.08 0.09 0.00 0.00 178.44 178.36 1qas h GLU 396 N 0.00 0.51 0.00 1.13 4.57 -2.00 -2.94 114.58 115.84 1qas h GLU 396 Ca -0.00 -0.56 -0.02 0.00 -1.18 0.00 0.00 59.36 57.60 1qas h GLU 396 Cb 0.14 0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1qas h GLU 396 CO 0.01 1.19 -0.11 1.96 -1.18 0.00 0.00 179.01 180.88 1qas h GLN 397 N 0.06 0.00 -0.22 1.92 4.20 -1.79 -2.73 115.11 116.55 1qas h GLN 397 Ca -0.10 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.49 1qas h GLN 397 Cb 1.47 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.23 1qas h GLN 397 CO 0.15 0.11 -0.39 1.96 -0.67 0.00 0.00 178.83 179.99 1qas h GLN 398 N 0.00 0.52 -0.24 1.46 4.20 -1.01 0.07 115.11 120.10 1qas h GLN 398 Ca -0.00 -0.25 -0.10 0.00 0.06 0.00 0.00 58.65 58.35 1qas h GLN 398 Cb 0.76 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 1qas h GLN 398 CO 0.01 0.83 -0.28 0.00 -0.67 0.00 0.00 178.83 178.72 1qas h ARG 399 N 0.43 0.47 -0.31 1.46 3.08 -1.31 0.23 114.38 118.44 1qas h ARG 399 Ca 0.04 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 1qas h ARG 399 Cb 0.87 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 1qas h ARG 399 CO 0.07 0.71 0.06 0.28 -1.07 0.00 0.00 179.97 180.02 1qas h VAL 400 N 0.41 1.23 -0.08 2.04 2.07 -1.07 -0.87 116.25 119.99 1qas h VAL 400 Ca 0.06 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 66.84 1qas h VAL 400 Cb 0.71 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 1qas h VAL 400 CO 0.05 0.26 -0.20 0.24 0.02 0.00 0.00 177.57 177.94 1qas h MET 401 N 0.34 -0.28 -0.79 1.57 2.86 -0.61 -1.05 114.93 116.97 1qas h MET 401 Ca 0.09 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.79 1qas h MET 401 Cb 0.33 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.00 1qas h MET 401 CO 0.00 -0.18 0.50 0.00 1.06 0.00 0.00 176.91 178.29 1qas h ALA 402 N 0.67 1.05 -0.46 6.32 0.00 -0.77 0.08 119.26 126.15 1qas h ALA 402 Ca 0.08 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1qas h ALA 402 Cb 0.40 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1qas h ALA 402 CO -0.24 0.28 -0.06 0.00 0.00 0.00 0.00 179.25 179.23 1qas h ARG 403 N 0.95 0.80 -0.36 0.00 2.47 -0.70 -2.03 114.38 115.51 1qas h ARG 403 Ca 0.33 -0.24 -0.15 0.00 -1.26 0.00 0.00 59.98 58.65 1qas h ARG 403 Cb 0.06 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.30 1qas h ARG 403 CO -0.13 0.85 -0.38 0.45 0.56 0.00 0.00 179.97 181.31 1qas h HIS 404 N 0.74 1.07 0.07 3.04 3.86 -0.65 -0.58 115.15 122.69 1qas h HIS 404 Ca 0.13 -0.33 0.01 0.00 -1.16 0.00 0.00 60.37 59.03 1qas h HIS 404 Cb 0.53 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 1qas h HIS 404 CO 0.03 1.14 -0.13 -0.07 0.86 0.00 0.00 177.93 179.76 1qas h LEU 405 N 0.69 -0.37 -0.84 2.43 3.38 -0.76 0.48 115.31 120.33 1qas h LEU 405 Ca 0.05 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 1qas h LEU 405 Cb 0.97 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1qas h LEU 405 CO 0.09 -0.19 -0.40 0.03 0.09 0.00 0.00 178.44 178.06 1qas h ARG 406 N -0.26 0.37 0.16 1.13 3.08 -1.39 -0.81 114.38 116.66 1qas h ARG 406 Ca 0.02 -0.18 -0.30 0.00 0.07 0.00 0.00 59.98 59.59 1qas h ARG 406 Cb 0.28 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.34 1qas h ARG 406 CO -0.08 0.72 -1.38 0.00 -1.07 0.00 0.00 179.97 178.15 1qas h ALA 407 N 1.27 0.06 0.04 0.04 0.00 -0.87 -2.36 119.26 117.43 1qas h ALA 407 Ca 0.03 -0.93 -0.21 0.00 0.00 0.00 0.00 54.91 53.79 1qas h ALA 407 Cb 0.84 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1qas h ALA 407 CO 0.07 0.93 -1.13 0.82 0.00 0.00 0.00 179.25 179.94 1qas h ILE 408 N 0.09 1.09 -0.01 0.00 2.04 -0.07 -3.38 117.51 117.28 1qas h ILE 408 Ca -0.20 -2.29 -0.20 0.00 1.00 0.00 0.00 64.86 63.18 1qas h ILE 408 Cb 2.04 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 40.71 1qas h ILE 408 CO 0.22 0.52 -0.87 -0.07 0.00 0.00 0.00 178.15 177.95 1qas h LEU 409 N -0.72 0.33 0.00 1.44 3.38 -1.27 -3.49 115.31 114.98 1qas h LEU 409 Ca -0.28 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1qas h LEU 409 Cb 1.43 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1qas h LEU 409 CO -0.07 1.05 0.00 0.61 0.09 0.00 0.00 178.44 180.11 1qas n GLY 410 N 0.84 2.83 0.32 0.83 0.00 -0.89 -2.19 105.19 106.94 1qas n GLY 410 Ca -0.04 -0.33 0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.79 1.61 0.13 -1.94 -2.01 132.00 129.01 1qas h PRO 411 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.21 1qas h PRO 411 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1qas h PRO 411 CO 0.00 0.01 0.51 0.82 -0.23 0.00 0.00 178.00 179.11 1qas h ILE 412 N 0.00 0.99 -3.31 -3.56 2.04 -1.71 -3.42 117.51 108.54 1qas h ILE 412 Ca -0.00 -0.27 -0.52 0.00 1.00 0.00 0.00 64.86 65.07 1qas h ILE 412 Cb 0.05 0.14 0.03 0.00 -0.74 0.00 0.00 36.82 36.30 1qas h ILE 412 CO 0.00 0.14 0.66 -0.22 0.00 0.00 0.00 178.15 178.74 1qas s LEU 413 N -9.77 4.41 -0.79 1.44 2.96 -0.76 -1.68 118.68 114.49 1qas s LEU 413 Ca -0.10 2.38 -0.22 0.00 -0.22 0.00 0.00 54.13 55.97 1qas s LEU 413 Cb 0.20 -3.61 0.08 0.00 0.50 0.00 0.00 46.19 43.36 1qas s LEU 413 CO 0.78 -0.55 1.11 -0.22 -1.32 0.00 0.00 176.35 176.15 1qas s LEU 414 N 0.13 4.31 0.09 -0.68 2.96 -0.13 -4.80 118.68 120.56 1qas s LEU 414 Ca 0.58 -1.28 0.17 0.00 -0.22 0.00 0.00 54.13 53.38 1qas s LEU 414 Cb -0.36 -2.45 -0.11 0.00 0.50 0.00 0.00 46.19 43.77 1qas s LEU 414 CO 0.37 -1.40 0.91 -2.24 -1.32 0.00 0.00 176.35 172.67 1qas h ASP 415 N 9.45 0.00 -4.09 3.68 2.03 -1.90 -3.45 116.42 122.14 1qas h ASP 415 Ca -0.10 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 55.71 1qas h ASP 415 Cb 1.05 0.00 -0.20 0.00 -0.83 0.00 0.00 39.33 39.35 1qas h ASP 415 CO 1.21 0.54 -0.79 -1.10 -1.03 0.00 0.00 179.24 178.06 1qas s GLN 416 N -2.95 1.07 0.87 4.15 -0.21 -1.26 -4.76 119.66 116.57 1qas s GLN 416 Ca -0.02 -1.18 -0.11 0.00 0.02 0.00 0.00 55.36 54.07 1qas s GLN 416 Cb 0.09 -1.16 0.11 0.00 1.00 0.00 0.00 33.01 33.05 1qas s GLN 416 CO 0.80 0.25 1.10 -1.25 -2.12 0.00 0.00 175.29 174.07 1qas s PRO 417 N -2.21 1.47 -0.02 2.91 0.04 -1.26 -5.01 135.00 130.91 1qas s PRO 417 Ca 0.07 1.11 -0.21 0.00 0.04 0.00 0.00 61.00 62.01 1qas s PRO 417 Cb -0.08 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 1qas s PRO 417 CO 0.04 -2.18 0.60 -0.51 0.04 0.00 0.00 177.00 174.99 1qas s LEU 418 N -6.24 4.39 0.40 -3.56 1.43 -1.26 -5.04 118.68 108.80 1qas s LEU 418 Ca 0.63 1.14 -0.27 0.00 -1.03 0.00 0.00 54.13 54.61 1qas s LEU 418 Cb -0.19 -2.93 -0.09 0.00 0.03 0.00 0.00 46.19 43.01 1qas s LEU 418 CO 0.57 0.06 1.38 -0.62 0.23 0.00 0.00 176.35 177.98 1qas s ASP 419 N 0.02 6.27 0.00 2.29 2.15 -1.26 -2.72 116.67 123.42 1qas s ASP 419 Ca 0.32 2.83 0.00 0.00 0.43 0.00 0.00 52.55 56.13 1qas s ASP 419 Cb -0.18 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.79 1qas s ASP 419 CO 0.17 -0.89 0.00 0.61 -0.17 0.00 0.00 175.17 174.88 1qas n GLY 420 N 0.61 2.27 3.62 2.66 0.00 -1.26 -4.97 105.19 108.13 1qas n GLY 420 Ca 0.03 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.82 4.07 0.00 1.61 1.01 -1.10 -4.64 120.40 120.53 1qas s VAL 421 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.16 1qas s VAL 421 Cb 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1qas s VAL 421 CO 0.00 -0.57 0.00 0.35 0.00 0.00 0.00 175.10 174.88 1qas n THR 422 N 6.48 0.00 -0.02 3.92 -2.24 -1.26 -4.79 114.28 116.37 1qas n THR 422 Ca 0.15 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 62.00 1qas n THR 422 Cb 0.47 0.00 -0.15 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 -0.25 0.23 -4.02 4.28 5.66 -1.26 -5.04 114.28 113.88 1qas n THR 423 Ca 0.00 -0.52 -0.10 0.00 -3.05 0.00 0.00 64.05 60.38 1qas n THR 423 Cb 0.00 -0.06 -0.07 0.00 -1.55 0.00 0.00 70.33 68.66 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 -4.49 -0.01 0.41 1.09 0.01 -1.26 -4.86 113.70 104.59 1qas s SER 424 Ca -0.08 -0.99 -0.26 0.00 1.31 0.00 0.00 55.95 55.93 1qas s SER 424 Cb 0.12 0.50 -0.09 0.00 0.21 0.00 0.00 66.02 66.75 1qas s SER 424 CO 0.82 -1.00 1.37 -0.76 0.41 0.00 0.00 173.24 174.09 1qas s LEU 425 N -3.03 4.20 0.00 2.44 1.43 -1.26 -4.92 118.68 117.55 1qas s LEU 425 Ca 0.24 2.80 -0.20 0.00 -1.03 0.00 0.00 54.13 55.94 1qas s LEU 425 Cb 0.02 -3.87 0.31 0.00 0.03 0.00 0.00 46.19 42.68 1qas s LEU 425 CO 0.06 -0.96 0.87 -0.81 0.23 0.00 0.00 176.35 175.75 1qas n PRO 426 N 0.09 -3.87 -3.66 1.29 -0.04 -1.26 -4.24 135.00 123.31 1qas n PRO 426 Ca 0.04 -1.42 -0.20 0.00 -0.04 0.00 0.00 63.50 61.87 1qas n PRO 426 Cb 0.42 -1.60 -0.02 0.00 -0.04 0.00 0.00 33.50 32.27 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 -3.50 5.76 0.31 3.54 1.04 -1.26 -1.87 113.70 117.71 1qas s SER 427 Ca 0.62 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.78 1qas s SER 427 Cb -0.09 -1.22 0.53 0.00 0.10 0.00 0.00 66.02 65.35 1qas s SER 427 CO 0.50 -0.35 1.95 -0.65 0.98 0.00 0.00 173.24 175.67 1qas h PRO 428 N 1.07 0.99 -0.84 4.02 0.11 -1.69 -1.56 132.00 134.10 1qas h PRO 428 Ca -0.46 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 65.61 1qas h PRO 428 Cb 1.25 -0.22 -0.05 0.00 0.11 0.00 0.00 31.00 32.09 1qas h PRO 428 CO 0.56 0.66 0.54 0.93 -0.21 0.00 0.00 178.00 180.48 1qas h GLU 429 N 1.02 1.05 0.00 1.05 4.39 -1.56 -2.41 114.58 118.12 1qas h GLU 429 Ca 0.33 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.93 1qas h GLU 429 Cb 0.04 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.45 1qas h GLU 429 CO -0.10 0.69 -0.16 1.96 -1.16 0.00 0.00 179.01 180.24 1qas h GLN 430 N 1.08 0.00 -0.46 2.33 4.20 -1.55 -3.16 115.11 117.55 1qas h GLN 430 Ca 0.32 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.87 1qas h GLN 430 Cb -0.05 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.63 1qas h GLN 430 CO -0.09 0.16 0.09 1.28 -0.67 0.00 0.00 178.83 179.60 1qas n LEU 431 N -3.54 4.71 -4.74 1.46 4.77 -0.92 -4.97 117.00 113.77 1qas n LEU 431 Ca -0.01 -3.40 -0.42 0.00 -0.03 0.00 0.00 56.01 52.15 1qas n LEU 431 Cb 0.31 -0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 40.73 1qas n LEU 431 CO 0.31 0.96 1.13 -0.54 -1.33 0.00 0.00 177.39 177.92 1qas s LYS 432 N -3.07 4.26 -0.98 3.23 1.02 -1.13 -2.25 119.74 120.82 1qas s LYS 432 Ca 0.47 2.31 0.00 0.00 0.02 0.00 0.00 55.97 58.77 1qas s LYS 432 Cb 0.40 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 1qas s LYS 432 CO 0.07 -0.46 0.00 0.41 -0.92 0.00 0.00 175.35 174.45 1qas n GLY 433 N 2.54 1.09 3.40 -3.33 0.00 0.61 -4.93 105.19 104.57 1qas n GLY 433 Ca 0.08 -0.59 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.76 1.47 -0.10 1.61 2.47 -0.95 -4.66 119.74 116.81 1qas s LYS 434 Ca 0.00 -1.50 0.02 0.00 -1.56 0.00 0.00 55.97 52.93 1qas s LYS 434 Cb 0.00 -1.73 0.01 0.00 -1.46 0.00 0.00 37.83 34.65 1qas s LYS 434 CO 0.00 0.37 -0.17 0.42 0.16 0.00 0.00 175.35 176.13 1qas s ILE 435 N -1.76 1.63 0.13 5.43 1.01 -0.68 -2.54 121.20 124.43 1qas s ILE 435 Ca 0.20 -0.74 0.09 0.00 0.00 0.00 0.00 60.65 60.20 1qas s ILE 435 Cb -0.07 -1.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 1qas s ILE 435 CO 0.09 0.46 -0.17 -1.48 0.00 0.00 0.00 174.94 173.85 1qas s LEU 436 N 0.77 2.74 -0.00 2.97 2.34 -0.58 -0.95 118.68 125.97 1qas s LEU 436 Ca -0.11 -0.58 -0.01 0.00 0.06 0.00 0.00 54.13 53.49 1qas s LEU 436 Cb -0.16 -1.55 -0.04 0.00 -0.56 0.00 0.00 46.19 43.88 1qas s LEU 436 CO 0.02 0.16 0.14 -0.76 -1.06 0.00 0.00 176.35 174.85 1qas s LEU 437 N -2.31 4.16 -0.08 1.48 1.43 -1.26 -0.55 118.68 121.56 1qas s LEU 437 Ca 0.20 0.25 0.05 0.00 -1.03 0.00 0.00 54.13 53.60 1qas s LEU 437 Cb -0.10 -2.49 -0.01 0.00 0.03 0.00 0.00 46.19 43.62 1qas s LEU 437 CO 0.11 0.26 -0.24 -0.75 0.23 0.00 0.00 176.35 175.96 1qas s LYS 438 N -1.91 2.78 0.00 1.70 2.36 -0.24 -4.12 119.74 120.31 1qas s LYS 438 Ca 0.26 -0.89 0.00 0.00 -2.55 0.00 0.00 55.97 52.79 1qas s LYS 438 Cb -0.12 -2.22 0.00 0.00 -1.05 0.00 0.00 37.83 34.44 1qas s LYS 438 CO 0.17 0.28 0.00 0.41 1.55 0.00 0.00 175.35 177.77 1qas n GLY 439 N 3.22 -1.70 3.77 5.54 0.00 -0.97 -0.19 105.19 114.86 1qas n GLY 439 Ca -0.18 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.62 4.18 0.07 1.61 -0.14 -1.26 -0.12 119.74 122.46 1qas s LYS 440 Ca 0.00 1.96 0.09 0.00 -1.36 0.00 0.00 55.97 56.66 1qas s LYS 440 Cb 0.00 -2.84 -0.03 0.00 -1.68 0.00 0.00 37.83 33.28 1qas s LYS 440 CO 0.00 -0.25 -0.25 0.21 -0.76 0.00 0.00 175.35 174.30 1qas s LYS 441 N -2.07 1.57 -0.22 1.68 2.20 -1.26 -4.71 119.74 116.93 1qas s LYS 441 Ca 0.54 -1.13 -0.33 0.00 -0.36 0.00 0.00 55.97 54.68 1qas s LYS 441 Cb -0.34 -1.81 -0.10 0.00 -1.51 0.00 0.00 37.83 34.07 1qas s LYS 441 CO 0.43 0.46 2.06 1.28 -0.36 0.00 0.00 175.35 179.23 1qas n LEU 442 N 1.54 2.92 -4.04 5.43 4.77 -1.26 -4.89 117.00 121.46 1qas n LEU 442 Ca -0.17 0.60 -0.34 0.00 -0.03 0.00 0.00 56.01 56.07 1qas n LEU 442 Cb 0.53 -1.37 -0.09 0.00 -2.33 0.00 0.00 43.42 40.16 1qas n LEU 442 CO 0.23 -0.44 0.20 -0.83 -1.33 0.00 0.00 177.39 175.21 1qas s GLY 443 N 6.17 2.97 0.00 -0.72 0.00 -1.26 -5.14 107.32 109.34 1qas s GLY 443 Ca 1.01 -3.77 0.00 0.00 0.00 0.00 0.00 44.72 41.96 1qas s GLY 443 CO 0.47 1.15 0.00 0.61 0.00 0.00 0.00 173.10 175.33 1qas n GLY 444 N 2.36 -0.63 3.36 0.20 0.00 -1.26 -5.13 105.19 104.09 1qas n GLY 444 Ca 0.19 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1qas n GLY 444 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1qas n LYS 487 N 0.00 0.00 -4.03 1.61 0.00 -1.26 -5.11 118.16 109.37 1qas n LYS 487 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 58.31 58.13 1qas n LYS 487 Cb 0.00 -0.67 -0.16 0.00 0.00 0.00 0.00 35.03 34.19 1qas n LYS 487 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1qas s LEU 488 N 0.00 1.25 0.20 3.14 2.96 -1.26 -4.84 118.68 120.13 1qas s LEU 488 Ca 0.00 -0.07 -0.23 0.00 -0.22 0.00 0.00 54.13 53.61 1qas s LEU 488 Cb 0.00 -0.31 -0.08 0.00 0.50 0.00 0.00 46.19 46.30 1qas s LEU 488 CO 0.00 -0.08 0.77 0.68 -1.32 0.00 0.00 176.35 176.41 1qas s VAL 489 N 0.95 4.42 0.36 1.68 -7.23 -1.26 -4.93 120.40 114.39 1qas s VAL 489 Ca -0.11 1.58 0.15 0.00 -1.81 0.00 0.00 61.98 61.79 1qas s VAL 489 Cb -0.14 -4.03 0.36 0.00 0.56 0.00 0.00 36.38 33.12 1qas s VAL 489 CO -0.01 0.38 1.75 -0.65 -0.31 0.00 0.00 175.10 176.26 1qas h PRO 490 N 3.91 0.46 -0.42 4.82 0.11 -1.99 -0.10 132.00 138.79 1qas h PRO 490 Ca -0.47 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.69 1qas h PRO 490 Cb 1.20 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 32.13 1qas h PRO 490 CO 0.66 0.30 -0.10 0.93 -0.21 0.00 0.00 178.00 179.58 1qas h GLU 491 N 0.47 0.00 0.01 1.05 3.07 -1.97 0.28 114.58 117.51 1qas h GLU 491 Ca 0.63 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.49 1qas h GLU 491 Cb 1.41 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.32 1qas h GLU 491 CO -0.39 0.00 -0.01 -0.07 -1.40 0.00 0.00 179.01 177.15 1qas h LEU 492 N 0.00 -0.02 -0.94 1.33 3.38 -1.36 -3.35 115.31 114.36 1qas h LEU 492 Ca 0.20 -0.78 0.17 0.00 0.09 0.00 0.00 57.88 57.56 1qas h LEU 492 Cb 0.31 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.96 1qas h LEU 492 CO -0.43 0.82 0.53 -1.28 0.09 0.00 0.00 178.44 178.17 1qas h SER 493 N -0.90 0.67 0.34 -0.43 0.87 -1.17 0.06 113.55 112.99 1qas h SER 493 Ca -0.00 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1qas h SER 493 Cb 0.80 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1qas h SER 493 CO 0.00 0.26 0.00 0.47 -0.53 0.00 0.00 176.83 177.03 1qas n ASP 494 N -4.81 0.31 -0.23 6.23 9.92 0.08 -1.76 116.55 126.28 1qas n ASP 494 Ca 0.20 0.60 0.12 0.00 -0.53 0.00 0.00 54.79 55.19 1qas n ASP 494 Cb 0.51 -0.66 0.26 0.00 -0.64 0.00 0.00 41.12 40.59 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 -1.87 0.70 -3.14 -1.24 2.81 0.01 -4.72 117.12 109.66 1qas n MET 495 Ca 0.01 -0.46 -0.43 0.00 -1.81 0.00 0.00 57.70 55.01 1qas n MET 495 Cb 0.12 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.07 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 -2.62 4.85 -0.14 2.02 -1.09 -0.72 -4.32 121.20 119.18 1qas s ILE 496 Ca 0.20 -0.33 -0.10 0.00 -2.23 0.00 0.00 60.65 58.19 1qas s ILE 496 Cb 0.19 -4.28 -0.06 0.00 -1.58 0.00 0.00 42.46 36.73 1qas s ILE 496 CO 0.58 -0.76 -0.23 -0.38 -1.23 0.00 0.00 174.94 172.93 1qas n ILE 497 N 5.68 1.14 0.42 2.92 5.41 -1.26 -4.85 119.36 128.82 1qas n ILE 497 Ca -0.05 -0.06 0.04 0.00 1.00 0.00 0.00 62.75 63.69 1qas n ILE 497 Cb 0.46 -1.87 -0.03 0.00 -0.71 0.00 0.00 39.64 37.49 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 -3.92 0.00 -2.86 1.39 4.01 -1.26 -4.73 117.16 109.78 1qas n TYR 498 Ca -0.25 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.25 1qas n TYR 498 Cb 0.58 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.59 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 -3.29 4.02 0.01 0.00 2.20 0.04 -2.29 119.74 120.44 1qas s LYS 500 Ca 0.46 1.97 -0.30 0.00 -0.36 0.00 0.00 55.97 57.73 1qas s LYS 500 Cb 0.33 -4.00 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 1qas s LYS 500 CO -0.13 -1.03 1.27 0.45 -0.36 0.00 0.00 175.35 175.56 1qas s SER 501 N 3.71 6.98 0.08 1.43 0.15 0.83 -0.25 113.70 126.64 1qas s SER 501 Ca 0.72 2.00 0.01 0.00 0.70 0.00 0.00 55.95 59.39 1qas s SER 501 Cb -0.30 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.41 1qas s SER 501 CO 0.29 -0.59 -0.06 0.68 1.20 0.00 0.00 173.24 174.76 1qas s VAL 502 N 1.82 0.56 0.31 4.45 -7.23 -0.83 -4.58 120.40 114.91 1qas s VAL 502 Ca 0.60 -1.88 -0.15 0.00 -1.81 0.00 0.00 61.98 58.73 1qas s VAL 502 Cb -0.29 -1.62 -0.09 0.00 0.56 0.00 0.00 36.38 34.94 1qas s VAL 502 CO 0.26 -0.90 0.73 -1.00 -0.31 0.00 0.00 175.10 173.88 1qas s HIS 503 N -3.66 3.41 -0.31 2.82 3.76 -1.26 -4.26 115.29 115.79 1qas s HIS 503 Ca 0.10 1.23 -0.29 0.00 -0.15 0.00 0.00 55.06 55.95 1qas s HIS 503 Cb 0.06 -2.54 0.00 0.00 1.11 0.00 0.00 32.58 31.21 1qas s HIS 503 CO -0.06 0.13 1.29 0.12 -0.85 0.00 0.00 174.74 175.37 1qas s PHE 504 N -1.91 2.71 -0.49 1.40 5.36 -1.26 -4.92 117.98 118.86 1qas s PHE 504 Ca 0.52 0.88 0.03 0.00 -0.96 0.00 0.00 56.93 57.40 1qas s PHE 504 Cb -0.11 -3.93 0.55 0.00 -0.34 0.00 0.00 43.02 39.19 1qas s PHE 504 CO 0.18 -1.64 1.84 0.41 -1.46 0.00 0.00 175.22 174.54 1qas n GLY 505 N 4.34 5.21 0.00 13.12 0.00 -1.26 -5.05 105.19 121.55 1qas n GLY 505 Ca 0.15 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.03 -1.06 0.00 -0.02 0.00 -1.26 -5.02 105.19 96.79 1qas n GLY 506 Ca 0.56 -1.61 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 -0.92 -2.85 0.00 1.61 3.72 -1.26 -4.90 117.46 112.87 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 -1.13 -0.05 0.00 0.00 176.76 175.58 1qas n SER 508 N -2.27 0.00 -0.71 4.37 3.41 -1.26 -5.03 113.62 112.14 1qas n SER 508 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 1qas n SER 508 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1qas n SER 508 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1qas n SER 509 N -0.03 -4.19 -0.57 4.04 7.64 -1.26 -3.90 113.62 115.35 1qas n SER 509 Ca 0.00 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1qas n SER 509 Cb 0.00 -2.13 0.00 0.00 -1.01 0.00 0.00 64.21 61.07 1qas n SER 509 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1qas n PRO 510 N -2.59 0.20 -0.92 1.43 -0.02 -1.26 -4.19 135.00 127.64 1qas n PRO 510 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 1qas n PRO 510 Cb 0.32 -1.14 -0.06 0.00 -0.02 0.00 0.00 33.50 32.60 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 511 N 0.47 3.30 1.59 -1.23 0.00 -1.25 -4.89 105.19 103.19 1qas n GLY 511 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1qas n GLY 511 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1qas n THR 512 N 1.51 -0.76 0.00 2.61 5.66 -1.26 -4.96 114.28 117.08 1qas n THR 512 Ca 0.29 0.16 0.00 0.00 -3.05 0.00 0.00 64.05 61.45 1qas n THR 512 Cb 0.67 -1.26 0.00 0.00 -1.55 0.00 0.00 70.33 68.18 1qas n THR 512 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1qas n SER 513 N 1.48 0.00 0.00 1.09 2.88 -1.26 -5.16 113.62 112.65 1qas n SER 513 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1qas n SER 513 Cb 0.16 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 1qas n SER 513 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qas n GLY 514 N 0.00 -1.27 3.64 0.46 0.00 -1.26 -4.80 105.19 101.96 1qas n GLY 514 Ca 0.00 -1.03 -0.51 0.00 0.00 0.00 0.00 46.02 44.48 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 1.54 -1.63 1.61 7.27 -1.26 -4.98 117.38 119.93 1qas n GLN 515 Ca 0.00 0.56 -0.30 0.00 0.07 0.00 0.00 57.00 57.32 1qas n GLN 515 Cb 0.00 -2.26 0.06 0.00 2.41 0.00 0.00 30.24 30.45 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 1.36 2.57 0.38 1.69 0.00 -1.26 -4.97 121.76 121.53 1qas s ALA 516 Ca 0.85 -0.11 0.14 0.00 0.00 0.00 0.00 51.96 52.85 1qas s ALA 516 Cb -0.87 -3.12 0.82 0.00 0.00 0.00 0.00 23.12 19.96 1qas s ALA 516 CO 0.47 -1.38 1.87 0.27 0.00 0.00 0.00 175.76 177.00 1qas h PHE 517 N -0.83 0.00 -0.02 0.00 -0.00 -1.89 -1.84 116.94 112.36 1qas h PHE 517 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.52 1qas h PHE 517 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.19 1qas h PHE 517 CO 0.54 0.32 0.00 2.48 -0.00 0.00 0.00 178.31 181.65 1qas n TYR 518 N -4.10 0.02 -4.46 6.09 0.18 -1.26 -4.63 117.16 109.00 1qas n TYR 518 Ca -0.02 -0.01 -0.34 0.00 1.88 0.00 0.00 57.90 59.41 1qas n TYR 518 Cb 0.36 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.22 1qas n TYR 518 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1qas s GLU 519 N -1.98 3.12 -0.06 -3.48 2.02 -0.69 -0.78 118.70 116.85 1qas s GLU 519 Ca 0.40 -0.49 0.03 0.00 0.02 0.00 0.00 54.97 54.93 1qas s GLU 519 Cb 0.19 -2.77 0.01 0.00 0.10 0.00 0.00 34.13 31.66 1qas s GLU 519 CO 0.31 0.55 -0.16 1.41 0.02 0.00 0.00 175.26 177.40 1qas s MET 520 N -0.48 1.98 0.20 1.61 1.75 0.65 -4.51 119.30 120.49 1qas s MET 520 Ca 0.08 -0.56 0.06 0.00 -1.25 0.00 0.00 55.69 54.02 1qas s MET 520 Cb -0.12 -1.62 -0.04 0.00 2.84 0.00 0.00 34.83 35.90 1qas s MET 520 CO 0.02 0.12 0.13 0.00 -0.65 0.00 0.00 175.02 174.65 1qas s ALA 521 N 0.40 3.51 0.11 4.11 0.00 -1.26 -1.96 121.76 126.67 1qas s ALA 521 Ca -0.12 -1.33 0.10 0.00 0.00 0.00 0.00 51.96 50.61 1qas s ALA 521 Cb -0.15 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 1qas s ALA 521 CO 0.04 0.40 -0.26 -1.12 0.00 0.00 0.00 175.76 174.83 1qas s SER 522 N -3.37 3.15 0.01 0.00 0.01 -1.26 -1.37 113.70 110.87 1qas s SER 522 Ca 0.31 -0.70 0.02 0.00 1.31 0.00 0.00 55.95 56.89 1qas s SER 522 Cb -0.09 -0.22 -0.01 0.00 0.21 0.00 0.00 66.02 65.91 1qas s SER 522 CO 0.23 0.18 -0.06 -0.36 0.41 0.00 0.00 173.24 173.64 1qas s PHE 523 N -1.01 0.55 0.73 2.43 0.40 0.69 -4.84 117.98 116.92 1qas s PHE 523 Ca 0.12 -0.23 -0.11 0.00 -0.60 0.00 0.00 56.93 56.11 1qas s PHE 523 Cb -0.10 -0.34 0.03 0.00 0.51 0.00 0.00 43.02 43.12 1qas s PHE 523 CO 0.05 -0.03 1.08 -1.54 0.70 0.00 0.00 175.22 175.47 1qas s SER 524 N -0.62 5.16 0.36 1.36 1.04 -1.26 -1.89 113.70 117.85 1qas s SER 524 Ca -0.02 1.40 0.04 0.00 0.48 0.00 0.00 55.95 57.86 1qas s SER 524 Cb -0.05 -2.23 0.71 0.00 0.10 0.00 0.00 66.02 64.55 1qas s SER 524 CO 0.00 -1.56 1.99 1.05 0.98 0.00 0.00 173.24 175.70 1qas h GLU 525 N -0.80 0.76 -0.24 4.02 4.11 -1.56 -1.13 114.58 119.73 1qas h GLU 525 Ca -0.45 -0.05 -0.04 0.00 0.07 0.00 0.00 59.36 58.89 1qas h GLU 525 Cb 1.24 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1qas h GLU 525 CO 0.59 0.50 0.00 0.66 0.07 0.00 0.00 179.01 180.84 1qas h SER 526 N 0.78 0.42 -0.32 3.06 4.64 -1.91 -2.08 113.55 118.14 1qas h SER 526 Ca 0.27 -0.31 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1qas h SER 526 Cb 0.09 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1qas h SER 526 CO -0.08 0.62 -0.03 -0.09 -0.87 0.00 0.00 176.83 176.39 1qas h ARG 527 N 0.20 0.59 -0.67 4.77 2.43 -1.82 -2.00 114.38 117.88 1qas h ARG 527 Ca 0.07 -0.20 0.10 0.00 -0.81 0.00 0.00 59.98 59.13 1qas h ARG 527 Cb 0.41 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.84 1qas h ARG 527 CO 0.01 0.74 0.30 0.00 -1.51 0.00 0.00 179.97 179.52 1qas h ALA 528 N 0.83 0.90 -0.62 2.80 0.00 -1.18 0.26 119.26 122.25 1qas h ALA 528 Ca 0.09 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1qas h ALA 528 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1qas h ALA 528 CO 0.02 -0.12 0.06 -0.07 0.00 0.00 0.00 179.25 179.14 1qas h LEU 529 N 0.51 1.01 -0.24 0.00 3.38 -1.22 -1.13 115.31 117.62 1qas h LEU 529 Ca 0.34 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1qas h LEU 529 Cb 0.39 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1qas h LEU 529 CO -0.29 1.03 0.03 -0.09 0.09 0.00 0.00 178.44 179.21 1qas h ARG 530 N 0.97 0.41 -0.20 1.13 2.43 -0.35 -1.17 114.38 117.59 1qas h ARG 530 Ca 0.18 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1qas h ARG 530 Cb 0.48 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1qas h ARG 530 CO 0.02 0.55 0.01 -0.07 -1.51 0.00 0.00 179.97 178.97 1qas h LEU 531 N 0.20 0.27 -0.52 3.80 3.38 -0.38 0.77 115.31 122.83 1qas h LEU 531 Ca 0.07 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 1qas h LEU 531 Cb 0.35 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1qas h LEU 531 CO 0.01 0.31 -0.61 -0.07 0.09 0.00 0.00 178.44 178.17 1qas h LEU 532 N 0.29 0.50 -0.06 1.67 3.38 -0.73 0.96 115.31 121.31 1qas h LEU 532 Ca 0.07 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 1qas h LEU 532 Cb 0.19 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1qas h LEU 532 CO 0.00 0.99 -0.54 -0.61 0.09 0.00 0.00 178.44 178.37 1qas h GLN 533 N 0.33 0.00 0.00 1.13 5.75 -0.48 -2.77 115.11 119.07 1qas h GLN 533 Ca -0.01 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.33 1qas h GLN 533 Cb 1.15 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.68 1qas h GLN 533 CO 0.11 0.54 -1.21 0.39 -2.65 0.00 0.00 178.83 176.02 1qas n GLU 534 N -3.26 0.53 0.07 1.69 1.02 0.19 -4.66 120.64 116.22 1qas n GLU 534 Ca 0.02 0.46 0.04 0.00 -0.02 0.00 0.00 57.16 57.65 1qas n GLU 534 Cb 0.74 -1.65 -0.04 0.00 -0.02 0.00 0.00 31.44 30.47 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 -0.99 -3.49 113.55 109.70 1qas h SER 535 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1qas h SER 535 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1qas h SER 535 CO -0.15 0.40 0.00 0.61 -1.14 0.00 0.00 176.83 176.54 1qas n GLY 536 N 1.31 1.91 0.03 -3.77 0.00 -1.04 -0.83 105.19 102.80 1qas n GLY 536 Ca -0.06 0.45 0.08 0.00 0.00 0.00 0.00 46.02 46.49 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 7.82 0.17 -0.15 1.61 6.94 -1.25 -1.67 115.26 128.72 1qas n ASN 537 Ca 0.00 0.54 -0.11 0.00 -0.02 0.00 0.00 54.58 54.99 1qas n ASN 537 Cb 0.00 -0.58 -0.01 0.00 -2.36 0.00 0.00 39.78 36.83 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 2.12 1.01 0.66 4.83 0.00 -1.31 -0.84 103.07 109.54 1qas h GLY 538 Ca 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 47.33 46.44 1qas h GLY 538 CO 0.00 0.81 -0.01 -2.75 0.00 0.00 0.00 176.54 174.59 1qas h PHE 539 N 0.77 0.07 -0.60 5.60 3.04 -1.47 -1.61 116.94 122.75 1qas h PHE 539 Ca 0.11 -0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.13 1qas h PHE 539 Cb 0.75 -0.02 -0.07 0.00 2.56 0.00 0.00 35.95 39.18 1qas h PHE 539 CO 0.05 0.41 0.24 0.28 -2.02 0.00 0.00 178.31 177.27 1qas h VAL 540 N -0.28 0.81 -0.76 1.41 2.07 -1.43 -1.17 116.25 116.89 1qas h VAL 540 Ca 0.01 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 1qas h VAL 540 Cb 0.38 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1qas h VAL 540 CO 0.00 0.08 0.30 0.03 0.02 0.00 0.00 177.57 178.00 1qas h ARG 541 N 0.44 1.14 -0.85 1.57 3.08 -1.06 -2.51 114.38 116.20 1qas h ARG 541 Ca 0.29 -0.21 0.05 0.00 0.07 0.00 0.00 59.98 60.19 1qas h ARG 541 Cb 0.33 -0.18 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 1qas h ARG 541 CO -0.27 0.93 0.53 1.25 -1.07 0.00 0.00 179.97 181.34 1qas h HIS 542 N 1.10 0.99 0.00 3.04 2.76 -0.40 -2.12 115.15 120.52 1qas h HIS 542 Ca 0.25 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.45 1qas h HIS 542 Cb 0.22 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.86 1qas h HIS 542 CO 0.02 0.52 0.00 0.09 -1.30 0.00 0.00 177.93 177.26 1qas n ASN 543 N -4.60 0.00 0.10 3.26 3.02 -0.53 -1.80 115.26 114.70 1qas n ASN 543 Ca 0.12 -1.16 -0.23 0.00 -0.03 0.00 0.00 54.58 53.28 1qas n ASN 543 Cb 0.15 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.17 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 1.29 0.00 2.41 2.07 -1.29 -3.39 116.25 117.33 1qas h VAL 544 Ca 0.00 -2.60 -0.16 0.00 0.82 0.00 0.00 66.70 64.76 1qas h VAL 544 Cb 0.00 3.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 1qas h VAL 544 CO 0.00 0.78 -2.13 -1.54 0.02 0.00 0.00 177.57 174.69 1qas n SER 545 N -3.85 0.18 -4.40 0.57 3.41 -1.16 -4.27 113.62 104.10 1qas n SER 545 Ca -0.18 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.13 1qas n SER 545 Cb 1.00 1.52 -0.14 0.00 -0.26 0.00 0.00 64.21 66.33 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 -1.43 4.45 -0.05 0.00 1.43 -1.26 -4.23 118.68 117.59 1qas s LEU 547 Ca 0.13 1.85 0.02 0.00 -1.03 0.00 0.00 54.13 55.10 1qas s LEU 547 Cb -0.10 -3.83 0.01 0.00 0.03 0.00 0.00 46.19 42.30 1qas s LEU 547 CO 0.04 0.02 -0.12 -0.44 0.23 0.00 0.00 176.35 176.09 1qas s SER 548 N -1.45 1.66 -0.08 2.29 0.01 -1.26 -4.00 113.70 110.87 1qas s SER 548 Ca 0.46 -0.27 -0.03 0.00 1.31 0.00 0.00 55.95 57.42 1qas s SER 548 Cb -0.21 -0.68 -0.04 0.00 0.21 0.00 0.00 66.02 65.30 1qas s SER 548 CO 0.26 0.05 0.06 -0.60 0.41 0.00 0.00 173.24 173.42 1qas s ARG 549 N 0.53 3.13 0.08 12.44 3.52 -0.47 -2.16 118.95 136.02 1qas s ARG 549 Ca -0.11 -0.35 0.09 0.00 -0.13 0.00 0.00 55.73 55.23 1qas s ARG 549 Cb -0.14 -2.92 -0.03 0.00 -1.56 0.00 0.00 34.95 30.30 1qas s ARG 549 CO 0.03 0.71 -0.24 0.42 -0.81 0.00 0.00 175.30 175.41 1qas s ILE 550 N -0.99 1.94 0.05 4.11 -1.09 -0.18 -0.22 121.20 124.81 1qas s ILE 550 Ca 0.16 -1.48 -0.06 0.00 -2.23 0.00 0.00 60.65 57.03 1qas s ILE 550 Cb -0.12 -1.70 -0.01 0.00 -1.58 0.00 0.00 42.46 39.05 1qas s ILE 550 CO 0.05 0.14 0.12 -0.72 -1.23 0.00 0.00 174.94 173.30 1qas s TYR 551 N -0.97 0.20 0.64 3.97 -0.85 -0.79 -1.52 117.35 118.04 1qas s TYR 551 Ca 0.10 -0.56 -0.18 0.00 -0.52 0.00 0.00 57.07 55.92 1qas s TYR 551 Cb -0.10 -0.13 -0.02 0.00 0.38 0.00 0.00 41.96 42.09 1qas s TYR 551 CO 0.04 -0.42 1.11 -2.30 -1.52 0.00 0.00 175.55 172.45 1qas n PRO 552 N 0.46 0.91 -1.93 -3.49 -0.02 -1.26 -1.63 135.00 128.04 1qas n PRO 552 Ca -0.17 0.36 -0.37 0.00 -2.02 0.00 0.00 63.50 61.29 1qas n PRO 552 Cb 0.60 -2.33 0.03 0.00 -0.02 0.00 0.00 33.50 31.78 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 -1.51 2.76 0.45 3.55 0.00 -1.26 -4.62 121.76 121.13 1qas s ALA 553 Ca 0.79 1.17 0.16 0.00 0.00 0.00 0.00 51.96 54.08 1qas s ALA 553 Cb -0.39 -3.50 1.11 0.00 0.00 0.00 0.00 23.12 20.34 1qas s ALA 553 CO 0.44 -1.19 1.98 0.78 0.00 0.00 0.00 175.76 177.77 1qas h GLY 554 N 1.39 0.47 2.00 0.00 0.00 -2.02 -1.54 103.07 103.37 1qas h GLY 554 Ca -0.50 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1qas h GLY 554 CO 0.57 0.07 0.00 0.11 0.00 0.00 0.00 176.54 177.29 1qas h TRP 555 N 0.32 0.00 0.00 5.60 5.08 -2.04 -3.33 115.95 121.58 1qas h TRP 555 Ca 0.28 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.77 1qas h TRP 555 Cb 0.65 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.82 1qas h TRP 555 CO -0.00 0.00 2.70 0.54 -1.28 0.00 0.00 178.44 180.40 1qas n ARG 556 N -2.60 2.75 0.00 0.12 1.74 -0.58 -4.57 116.66 113.52 1qas n ARG 556 Ca -0.00 -1.68 0.10 0.00 -0.77 0.00 0.00 57.85 55.50 1qas n ARG 556 Cb 0.17 -2.52 0.45 0.00 -1.02 0.00 0.00 32.46 29.54 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 3.64 0.56 1.55 0.55 -2.24 -1.25 -1.78 114.28 115.31 1qas n THR 557 Ca 0.59 0.14 0.10 0.00 -2.27 0.00 0.00 64.05 62.60 1qas n THR 557 Cb 0.28 -0.78 0.44 0.00 -2.10 0.00 0.00 70.33 68.17 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 -1.51 0.97 -1.84 3.42 5.75 -1.26 -1.28 116.55 120.79 1qas n ASP 558 Ca 0.05 -1.60 -0.17 0.00 -0.01 0.00 0.00 54.79 53.07 1qas n ASP 558 Cb 0.25 -0.06 -0.02 0.00 -1.03 0.00 0.00 41.12 40.26 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 -0.14 -5.02 -4.75 -1.12 7.64 -0.73 -4.71 113.62 104.79 1qas n SER 559 Ca 0.15 0.05 -0.30 0.00 1.01 0.00 0.00 58.87 59.78 1qas n SER 559 Cb 0.22 -4.10 0.11 0.00 -1.01 0.00 0.00 64.21 59.43 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 -2.33 4.08 0.20 6.43 1.04 -1.26 -4.67 113.70 117.20 1qas s SER 560 Ca 0.00 1.68 0.09 0.00 0.48 0.00 0.00 55.95 58.20 1qas s SER 560 Cb 0.00 -2.37 -0.04 0.00 0.10 0.00 0.00 66.02 63.71 1qas s SER 560 CO 0.00 -2.28 -0.10 0.20 0.98 0.00 0.00 173.24 172.04 1qas s ASN 561 N -3.41 4.19 0.29 7.02 0.01 -1.26 -4.74 114.94 117.04 1qas s ASN 561 Ca 0.62 -0.64 0.08 0.00 -0.71 0.00 0.00 52.86 52.20 1qas s ASN 561 Cb -0.17 -0.68 -0.04 0.00 0.41 0.00 0.00 41.25 40.77 1qas s ASN 561 CO 0.56 0.08 0.18 -0.72 -1.51 0.00 0.00 177.10 175.70 1qas s TYR 562 N -1.87 2.93 0.01 2.20 1.13 -1.26 -4.97 117.35 115.52 1qas s TYR 562 Ca 0.26 -0.22 -0.30 0.00 -1.41 0.00 0.00 57.07 55.40 1qas s TYR 562 Cb -0.08 -1.50 -0.06 0.00 -1.10 0.00 0.00 41.96 39.21 1qas s TYR 562 CO 0.16 0.42 1.50 0.45 -2.51 0.00 0.00 175.55 175.57 1qas s SER 563 N -3.86 6.76 0.35 -0.18 0.15 -1.26 -4.86 113.70 110.81 1qas s SER 563 Ca 0.35 2.23 0.19 0.00 0.70 0.00 0.00 55.95 59.43 1qas s SER 563 Cb -0.06 -2.56 0.32 0.00 -1.71 0.00 0.00 66.02 62.01 1qas s SER 563 CO 0.24 -0.79 1.57 1.55 1.20 0.00 0.00 173.24 177.01 1qas h PRO 564 N 8.16 0.00 -0.04 5.44 0.13 -1.97 -3.38 132.00 140.34 1qas h PRO 564 Ca -0.39 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.77 1qas h PRO 564 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 1qas h PRO 564 CO 0.92 0.32 -0.39 0.28 -0.23 0.00 0.00 178.00 178.90 1qas h VAL 565 N 0.00 0.19 -0.06 1.56 2.07 -1.96 -1.29 116.25 116.77 1qas h VAL 565 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1qas h VAL 565 Cb 1.15 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1qas h VAL 565 CO 0.04 0.00 0.11 -0.08 0.02 0.00 0.00 177.57 177.66 1qas h GLU 566 N -0.52 0.00 0.02 1.57 4.57 -1.87 0.11 114.58 118.46 1qas h GLU 566 Ca 0.06 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 1qas h GLU 566 Cb 0.62 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1qas h GLU 566 CO -0.33 0.00 -0.16 0.52 -1.18 0.00 0.00 179.01 177.86 1qas h MET 567 N 0.00 0.08 -0.80 1.92 2.86 -1.55 -3.27 114.93 114.17 1qas h MET 567 Ca 0.03 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1qas h MET 567 Cb 0.25 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 1qas h MET 567 CO -0.00 0.97 0.53 -1.49 1.06 0.00 0.00 176.91 177.98 1qas h TRP 568 N -0.77 0.99 0.00 -0.22 6.55 0.06 -0.40 115.95 122.16 1qas h TRP 568 Ca -0.03 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1qas h TRP 568 Cb 1.04 -0.33 0.00 0.00 -0.86 0.00 0.00 29.16 29.01 1qas h TRP 568 CO 0.23 0.61 0.00 -0.91 -1.05 0.00 0.00 178.44 177.33 1qas h ASN 569 N 1.06 0.00 -0.54 -3.49 2.35 -0.94 -0.74 115.58 113.27 1qas h ASN 569 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1qas h ASN 569 Cb -0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1qas h ASN 569 CO -0.07 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.32 1qas n GLY 570 N -0.94 2.98 3.07 2.83 0.00 -0.19 -4.58 105.19 108.36 1qas n GLY 570 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 0.76 2.88 3.67 -0.02 0.00 -0.29 -3.76 105.19 108.43 1qas n GLY 571 Ca 0.23 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.78 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 5.19 1.06 -3.28 0.00 0.00 -1.23 -4.21 117.38 114.91 1qas n GLN 573 Ca 0.20 -0.03 -0.36 0.00 0.00 0.00 0.00 57.00 56.81 1qas n GLN 573 Cb 0.29 -1.45 -0.04 0.00 0.00 0.00 0.00 30.24 29.04 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 -2.59 3.87 -2.85 -0.39 5.41 -0.92 -0.07 119.36 121.82 1qas n ILE 574 Ca -0.26 -5.52 -0.43 0.00 1.00 0.00 0.00 62.75 57.55 1qas n ILE 574 Cb 1.01 -2.17 -0.04 0.00 -0.71 0.00 0.00 39.64 37.73 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 -2.35 4.35 -0.18 1.39 1.01 -1.26 -1.02 120.40 122.34 1qas s VAL 575 Ca 0.33 -0.01 -0.26 0.00 0.00 0.00 0.00 61.98 62.05 1qas s VAL 575 Cb 0.05 -4.60 -0.01 0.00 0.00 0.00 0.00 36.38 31.82 1qas s VAL 575 CO 0.01 -1.27 0.87 0.00 0.00 0.00 0.00 175.10 174.71 1qas s ALA 576 N 4.02 3.54 0.19 5.51 0.00 -0.58 -4.16 121.76 130.28 1qas s ALA 576 Ca 0.27 0.06 0.09 0.00 0.00 0.00 0.00 51.96 52.38 1qas s ALA 576 Cb -0.14 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1qas s ALA 576 CO 0.15 -0.73 -0.20 -0.51 0.00 0.00 0.00 175.76 174.48 1qas s LEU 577 N 2.34 2.46 -0.86 0.00 1.43 -0.87 -4.06 118.68 119.13 1qas s LEU 577 Ca 0.39 -0.89 -0.25 0.00 -1.03 0.00 0.00 54.13 52.35 1qas s LEU 577 Cb -0.16 -0.93 0.01 0.00 0.03 0.00 0.00 46.19 45.14 1qas s LEU 577 CO 0.12 0.00 1.59 0.20 0.23 0.00 0.00 176.35 178.49 1qas s ASN 578 N -2.80 5.89 0.32 2.29 0.01 -1.26 -1.67 114.94 117.73 1qas s ASN 578 Ca 0.19 -0.73 0.20 0.00 -0.71 0.00 0.00 52.86 51.81 1qas s ASN 578 Cb -0.06 -2.56 1.07 0.00 0.41 0.00 0.00 41.25 40.12 1qas s ASN 578 CO 0.08 -2.03 1.58 0.49 -1.51 0.00 0.00 177.10 175.72 1qas n PHE 579 N 10.85 0.67 0.77 2.20 3.01 -1.26 -1.28 117.46 132.42 1qas n PHE 579 Ca 0.25 0.35 0.13 0.00 1.01 0.00 0.00 57.45 59.19 1qas n PHE 579 Cb 0.50 -1.02 0.36 0.00 -0.01 0.00 0.00 39.48 39.31 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 -2.21 0.16 -3.43 -1.08 0.00 -1.26 -4.77 117.38 104.78 1qas n GLN 580 Ca -0.01 0.09 -0.43 0.00 0.00 0.00 0.00 57.00 56.64 1qas n GLN 580 Cb 0.10 -1.64 -0.10 0.00 0.00 0.00 0.00 30.24 28.60 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 -3.08 5.22 0.76 -0.39 2.01 -0.40 -4.97 115.64 114.80 1qas s THR 581 Ca 0.10 -0.55 -0.13 0.00 0.31 0.00 0.00 61.69 61.42 1qas s THR 581 Cb 0.15 -3.94 0.06 0.00 0.01 0.00 0.00 72.50 68.78 1qas s THR 581 CO 0.64 -0.32 1.16 -2.84 -0.69 0.00 0.00 174.62 172.57 1qas s PRO 582 N 1.79 2.05 0.00 4.92 0.02 -1.26 -4.63 135.00 137.89 1qas s PRO 582 Ca 0.07 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.64 1qas s PRO 582 Cb -0.18 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.49 1qas s PRO 582 CO 0.11 -1.86 0.00 0.41 -0.33 0.00 0.00 177.00 175.33 1qas n GLY 583 N -0.07 3.35 0.33 0.52 0.00 -1.26 -4.89 105.19 103.18 1qas n GLY 583 Ca 0.12 -1.19 0.18 0.00 0.00 0.00 0.00 46.02 45.13 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 0.04 1.61 0.11 -1.98 0.12 132.00 131.90 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 -0.02 0.93 -0.21 0.00 0.00 178.00 178.70 1qas h GLU 585 N 0.00 -0.05 -0.03 1.05 3.07 -1.91 -0.40 114.58 116.30 1qas h GLU 585 Ca 0.05 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.81 1qas h GLU 585 Cb 0.38 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1qas h GLU 585 CO -0.00 0.36 -0.49 0.52 -1.40 0.00 0.00 179.01 178.00 1qas h MET 586 N -0.48 0.08 0.40 2.33 2.86 -1.42 -0.58 114.93 118.14 1qas h MET 586 Ca -0.01 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1qas h MET 586 Cb 0.44 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 1qas h MET 586 CO 0.01 0.56 -0.24 -0.44 1.06 0.00 0.00 176.91 177.86 1qas h ASP 587 N 0.07 -0.59 0.33 1.22 3.32 -0.71 0.19 116.42 120.26 1qas h ASP 587 Ca 0.00 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 1qas h ASP 587 Cb 0.90 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1qas h ASP 587 CO 0.07 -0.38 -0.28 0.58 -1.72 0.00 0.00 179.24 177.51 1qas h VAL 588 N -0.61 1.11 0.25 -1.35 2.07 -1.01 -0.19 116.25 116.51 1qas h VAL 588 Ca -0.05 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1qas h VAL 588 Cb 0.49 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1qas h VAL 588 CO 0.05 0.27 -0.12 0.22 0.02 0.00 0.00 177.57 178.02 1qas h TYR 589 N 0.00 -0.31 0.00 1.57 3.20 -0.31 -1.61 116.97 119.51 1qas h TYR 589 Ca -0.00 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 1qas h TYR 589 Cb 0.52 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 1qas h TYR 589 CO 0.00 0.04 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.21 1qas h LEU 590 N -0.70 0.00 -0.78 2.82 3.38 -0.60 -2.48 115.31 116.94 1qas h LEU 590 Ca -0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1qas h LEU 590 Cb 0.48 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1qas h LEU 590 CO 0.06 0.28 0.31 1.23 0.09 0.00 0.00 178.44 180.41 1qas h GLY 591 N 2.23 1.25 1.03 0.83 0.00 -0.89 0.16 103.07 107.68 1qas h GLY 591 Ca -0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 47.33 46.55 1qas h GLY 591 CO 0.04 0.64 -0.12 0.00 0.00 0.00 0.00 176.54 177.09 1qas n PHE 593 N -4.25 0.19 0.11 0.00 3.72 -0.87 -2.46 117.46 113.90 1qas n PHE 593 Ca -0.00 -0.09 -0.02 0.00 -0.05 0.00 0.00 57.45 57.29 1qas n PHE 593 Cb 0.39 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.94 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 1.03 0.00 -7.30 -1.08 1.08 -0.62 -3.33 115.11 104.90 1qas h GLN 594 Ca 0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 1qas h GLN 594 Cb 0.23 0.00 0.16 0.00 -0.05 0.00 0.00 27.48 27.82 1qas h GLN 594 CO 0.00 0.71 0.28 0.34 -0.95 0.00 0.00 178.83 179.21 1qas s ASP 595 N -6.60 3.92 -1.32 1.46 2.15 -1.03 -2.50 116.67 112.75 1qas s ASP 595 Ca 0.02 1.96 -0.01 0.00 0.43 0.00 0.00 52.55 54.95 1qas s ASP 595 Cb 0.09 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1qas s ASP 595 CO 0.77 -2.43 0.72 -3.20 -0.17 0.00 0.00 175.17 170.86 1qas n ASN 596 N -3.77 -1.35 -0.84 -0.34 5.15 -1.14 -2.28 115.26 110.68 1qas n ASN 596 Ca 0.10 -0.81 -0.11 0.00 -0.60 0.00 0.00 54.58 53.16 1qas n ASN 596 Cb 0.53 -4.07 -0.05 0.00 -0.53 0.00 0.00 39.78 35.66 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 -1.57 1.13 2.54 8.20 0.00 -0.53 -2.89 105.19 112.07 1qas n GLY 597 Ca -0.28 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.51 1.37 0.00 -0.02 0.00 -0.97 -4.76 105.19 100.30 1qas n GLY 598 Ca -0.11 -0.19 0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 0.32 1.94 3.06 0.00 0.00 -1.26 -4.62 105.19 104.63 1qas n GLY 600 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.76 2.46 -0.19 1.61 2.02 -1.26 -1.21 117.35 118.02 1qas s TYR 601 Ca 0.00 -1.44 0.01 0.00 -0.37 0.00 0.00 57.07 55.27 1qas s TYR 601 Cb 0.00 -1.74 0.03 0.00 -0.40 0.00 0.00 41.96 39.85 1qas s TYR 601 CO 0.00 -0.74 -0.15 0.08 -1.57 0.00 0.00 175.55 173.18 1qas s VAL 602 N 1.39 1.82 0.08 0.71 1.01 -0.90 -4.84 120.40 119.68 1qas s VAL 602 Ca 0.04 -0.95 -0.31 0.00 0.00 0.00 0.00 61.98 60.77 1qas s VAL 602 Cb -0.13 -1.76 -0.09 0.00 0.00 0.00 0.00 36.38 34.40 1qas s VAL 602 CO -0.11 0.35 1.76 -0.22 0.00 0.00 0.00 175.10 176.88 1qas s LEU 603 N 1.35 4.38 0.76 3.92 2.96 -1.26 -0.77 118.68 130.02 1qas s LEU 603 Ca 0.02 2.60 -0.13 0.00 -0.22 0.00 0.00 54.13 56.40 1qas s LEU 603 Cb -0.15 -3.56 0.05 0.00 0.50 0.00 0.00 46.19 43.04 1qas s LEU 603 CO -0.10 -0.95 1.14 -0.54 -1.32 0.00 0.00 176.35 174.58 1qas s LYS 604 N 2.95 2.13 0.50 1.98 1.02 -0.21 -4.91 119.74 123.21 1qas s LYS 604 Ca 0.78 1.48 -0.23 0.00 0.02 0.00 0.00 55.97 58.02 1qas s LYS 604 Cb -0.42 -1.86 -0.06 0.00 -0.52 0.00 0.00 37.83 34.96 1qas s LYS 604 CO 0.35 -1.78 1.37 -2.30 -0.92 0.00 0.00 175.35 172.07 1qas n PRO 605 N -3.11 1.89 -0.16 -1.68 -0.02 -1.26 -4.78 135.00 125.87 1qas n PRO 605 Ca 0.11 0.69 0.23 0.00 -2.02 0.00 0.00 63.50 62.51 1qas n PRO 605 Cb 0.52 -2.57 0.64 0.00 -0.02 0.00 0.00 33.50 32.07 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 1.77 2.55 0.00 3.55 0.00 -1.97 0.39 119.26 125.56 1qas h ALA 606 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1qas h ALA 606 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1qas h ALA 606 CO 0.58 -0.80 0.00 0.27 0.00 0.00 0.00 179.25 179.31 1qas h PHE 607 N 0.14 0.00 -0.01 0.00 -5.15 -1.97 -0.76 116.94 109.19 1qas h PHE 607 Ca 0.40 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.17 1qas h PHE 607 Cb 1.37 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.54 1qas h PHE 607 CO -0.00 0.00 -0.46 1.28 -2.00 0.00 0.00 178.31 177.13 1qas n LEU 608 N -2.74 1.51 -1.13 2.10 4.77 0.14 -4.02 117.00 117.63 1qas n LEU 608 Ca 0.00 -0.53 0.08 0.00 -0.03 0.00 0.00 56.01 55.53 1qas n LEU 608 Cb 0.21 -0.05 0.29 0.00 -2.33 0.00 0.00 43.42 41.54 1qas n LEU 608 CO 0.22 0.29 0.75 0.54 -1.33 0.00 0.00 177.39 177.85 1qas n ARG 609 N -0.46 3.40 -3.86 3.23 1.74 -0.30 -4.62 116.66 115.78 1qas n ARG 609 Ca 0.09 -2.87 -0.36 0.00 -0.77 0.00 0.00 57.85 53.95 1qas n ARG 609 Cb 0.41 -1.90 -0.13 0.00 -1.02 0.00 0.00 32.46 29.81 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 -1.57 4.63 0.56 0.55 2.15 -1.16 -5.00 116.67 116.82 1qas s ASP 610 Ca 0.44 -0.56 0.25 0.00 0.43 0.00 0.00 52.55 53.11 1qas s ASP 610 Cb 0.34 -1.78 1.52 0.00 -0.30 0.00 0.00 42.92 42.69 1qas s ASP 610 CO 0.12 -0.09 2.10 1.55 -0.17 0.00 0.00 175.17 178.68 1qas h PRO 611 N 8.14 0.00 -0.48 4.34 0.13 -1.91 -1.73 132.00 140.49 1qas h PRO 611 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1qas h PRO 611 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1qas h PRO 611 CO 0.60 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.46 1qas n ASN 612 N -4.13 3.37 -4.59 1.44 3.02 -1.26 -4.81 115.26 108.31 1qas n ASN 612 Ca 0.02 -1.96 -0.39 0.00 -0.03 0.00 0.00 54.58 52.22 1qas n ASN 612 Cb 0.31 -0.32 0.04 0.00 -0.61 0.00 0.00 39.78 39.20 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 1.16 3.10 -0.66 3.41 5.66 -0.65 -4.89 114.28 121.40 1qas n THR 613 Ca 0.18 -0.50 0.07 0.00 -3.05 0.00 0.00 64.05 60.75 1qas n THR 613 Cb 0.53 -1.07 0.15 0.00 -1.55 0.00 0.00 70.33 68.39 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 -1.39 1.66 -2.04 1.09 -2.24 -1.26 -4.87 114.28 105.24 1qas n THR 614 Ca 0.12 -1.66 -0.40 0.00 -2.27 0.00 0.00 64.05 59.84 1qas n THR 614 Cb 0.45 0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.72 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 -2.13 2.84 -0.27 4.78 5.36 -1.26 -4.86 117.98 122.44 1qas s PHE 615 Ca 0.27 1.38 -0.01 0.00 -0.96 0.00 0.00 56.93 57.61 1qas s PHE 615 Cb 0.21 -3.72 0.16 0.00 -0.34 0.00 0.00 43.02 39.33 1qas s PHE 615 CO 0.06 -2.15 0.45 1.21 -1.46 0.00 0.00 175.22 173.34 1qas s ASN 616 N -0.60 -0.28 0.54 6.13 3.84 -1.26 -3.78 114.94 119.52 1qas s ASN 616 Ca 0.54 0.31 0.26 0.00 0.21 0.00 0.00 52.86 54.19 1qas s ASN 616 Cb -0.40 1.45 1.43 0.00 -0.55 0.00 0.00 41.25 43.19 1qas s ASN 616 CO 0.52 -0.30 2.00 -1.28 -2.79 0.00 0.00 177.10 175.25 1qas h SER 617 N 8.12 0.00 0.62 -4.21 0.87 -1.94 -2.21 113.55 114.80 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 1.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1qas h SER 617 CO 0.26 0.00 -0.67 0.54 -0.53 0.00 0.00 176.83 176.43 1qas n ARG 618 N -4.25 0.17 -3.10 2.24 5.12 -1.26 -4.36 116.66 111.23 1qas n ARG 618 Ca 0.09 0.03 -0.16 0.00 -1.93 0.00 0.00 57.85 55.88 1qas n ARG 618 Cb 0.58 -1.59 -0.05 0.00 -1.16 0.00 0.00 32.46 30.24 1qas n ARG 618 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1qas s ALA 619 N -3.11 -0.30 0.30 7.54 0.00 -0.84 -5.09 121.76 120.25 1qas s ALA 619 Ca 0.08 -1.44 -0.29 0.00 0.00 0.00 0.00 51.96 50.30 1qas s ALA 619 Cb 0.15 -2.13 -0.10 0.00 0.00 0.00 0.00 23.12 21.04 1qas s ALA 619 CO 0.73 -2.10 1.20 -0.51 0.00 0.00 0.00 175.76 175.08 1qas s LEU 620 N 0.50 4.49 0.00 0.00 1.43 -1.14 -4.47 118.68 119.50 1qas s LEU 620 Ca 0.31 2.46 0.02 0.00 -1.03 0.00 0.00 54.13 55.88 1qas s LEU 620 Cb 0.01 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 1qas s LEU 620 CO -0.12 -0.32 0.06 0.35 0.23 0.00 0.00 176.35 176.55 1qas n THR 621 N 1.05 0.00 -3.01 5.49 -2.24 -1.26 -5.09 114.28 109.21 1qas n THR 621 Ca -0.00 -1.26 -0.39 0.00 -2.27 0.00 0.00 64.05 60.12 1qas n THR 621 Cb 0.43 0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 69.03 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 -2.85 4.50 -0.04 -0.78 -0.44 -1.26 -4.73 119.66 114.06 1qas s GLN 622 Ca 0.09 1.07 -0.29 0.00 -2.50 0.00 0.00 55.36 53.73 1qas s GLN 622 Cb 0.00 -3.30 0.10 0.00 -1.64 0.00 0.00 33.01 28.17 1qas s GLN 622 CO 0.06 0.47 1.32 0.20 0.50 0.00 0.00 175.29 177.84 1qas s GLY 623 N -0.72 -0.17 0.26 2.59 0.00 -1.26 -4.99 107.32 103.03 1qas s GLY 623 Ca 0.36 0.12 0.19 0.00 0.00 0.00 0.00 44.72 45.39 1qas s GLY 623 CO 0.24 5.66 1.58 -1.05 0.00 0.00 0.00 173.10 179.52 1qas n PRO 624 N -0.90 0.13 0.08 2.90 -0.02 -1.26 -1.13 135.00 134.80 1qas n PRO 624 Ca 0.04 0.58 -0.11 0.00 -2.02 0.00 0.00 63.50 61.99 1qas n PRO 624 Cb 0.59 -1.88 -0.10 0.00 -0.02 0.00 0.00 33.50 32.09 1qas n PRO 624 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1qas h TRP 625 N 0.00 0.24 -2.04 6.00 0.09 -1.94 -3.41 115.95 114.89 1qas h TRP 625 Ca 0.00 -0.17 -0.58 0.00 0.09 0.00 0.00 58.89 58.23 1qas h TRP 625 Cb 0.06 -0.01 -0.10 0.00 0.08 0.00 0.00 29.16 29.18 1qas h TRP 625 CO 0.00 1.10 1.10 -0.46 0.09 0.00 0.00 178.44 180.26 1qas s TRP 626 N -2.79 2.48 -0.41 0.12 -0.11 -0.28 -4.30 118.94 113.64 1qas s TRP 626 Ca -0.02 -0.46 0.07 0.00 1.22 0.00 0.00 56.10 56.92 1qas s TRP 626 Cb 0.09 -4.57 0.25 0.00 -1.50 0.00 0.00 33.47 27.73 1qas s TRP 626 CO 0.84 -1.93 0.59 0.54 -4.62 0.00 0.00 176.95 172.38 1qas n ARG 627 N 8.77 0.71 -1.70 5.86 1.74 -0.06 -4.71 116.66 127.27 1qas n ARG 627 Ca 0.12 -2.91 -0.44 0.00 -0.77 0.00 0.00 57.85 53.86 1qas n ARG 627 Cb 0.49 -1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 30.62 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 1.50 2.58 -4.50 5.56 -0.04 -1.10 -4.57 135.00 134.44 1qas n PRO 628 Ca 0.19 0.93 -0.26 0.00 -0.04 0.00 0.00 63.50 64.32 1qas n PRO 628 Cb 0.55 -2.77 -0.10 0.00 -0.04 0.00 0.00 33.50 31.14 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 1.68 1.90 -0.22 0.54 0.41 -0.36 -4.84 118.70 117.80 1qas s GLU 629 Ca 0.79 -1.91 0.02 0.00 -0.41 0.00 0.00 54.97 53.46 1qas s GLU 629 Cb -0.56 -1.75 0.05 0.00 -1.78 0.00 0.00 34.13 30.08 1qas s GLU 629 CO 0.36 0.12 -0.12 0.50 -0.49 0.00 0.00 175.26 175.63 1qas s ARG 630 N -3.65 2.25 -0.19 1.61 3.52 -0.34 -1.41 118.95 120.75 1qas s ARG 630 Ca 0.33 -1.05 -0.09 0.00 -0.13 0.00 0.00 55.73 54.79 1qas s ARG 630 Cb 0.03 -2.65 -0.05 0.00 -1.56 0.00 0.00 34.95 30.72 1qas s ARG 630 CO 0.17 -0.46 0.11 -1.17 -0.81 0.00 0.00 175.30 173.14 1qas s LEU 631 N 1.26 4.10 -0.11 -0.88 2.96 -0.46 -0.61 118.68 124.94 1qas s LEU 631 Ca -0.04 0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.11 1qas s LEU 631 Cb -0.17 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.47 1qas s LEU 631 CO -0.08 0.20 -0.21 -0.13 -1.32 0.00 0.00 176.35 174.81 1qas s ARG 632 N 0.26 2.85 -0.12 1.98 0.52 0.12 -1.15 118.95 123.41 1qas s ARG 632 Ca 0.07 -0.80 0.01 0.00 -0.52 0.00 0.00 55.73 54.49 1qas s ARG 632 Cb -0.11 -2.24 0.02 0.00 0.52 0.00 0.00 34.95 33.13 1qas s ARG 632 CO -0.01 0.07 -0.15 0.08 0.02 0.00 0.00 175.30 175.31 1qas s VAL 633 N 0.61 1.52 -0.38 3.52 1.01 -0.84 -0.84 120.40 125.01 1qas s VAL 633 Ca -0.13 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.09 1qas s VAL 633 Cb -0.17 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.84 1qas s VAL 633 CO 0.03 0.45 0.22 -0.13 0.00 0.00 0.00 175.10 175.67 1qas s ARG 634 N 1.08 2.90 -0.74 2.72 1.81 0.33 -0.10 118.95 126.95 1qas s ARG 634 Ca -0.04 -1.04 -0.22 0.00 -1.72 0.00 0.00 55.73 52.71 1qas s ARG 634 Cb -0.15 -3.77 0.08 0.00 -0.45 0.00 0.00 34.95 30.66 1qas s ARG 634 CO -0.03 -0.69 1.04 0.42 -0.68 0.00 0.00 175.30 175.36 1qas s ILE 635 N 1.59 4.36 0.00 1.52 -1.09 0.23 -1.36 121.20 126.45 1qas s ILE 635 Ca 0.03 -0.62 0.00 0.00 -2.23 0.00 0.00 60.65 57.83 1qas s ILE 635 Cb -0.19 -4.74 0.00 0.00 -1.58 0.00 0.00 42.46 35.95 1qas s ILE 635 CO 0.07 -1.52 0.24 -0.38 -1.23 0.00 0.00 174.94 172.13 1qas n ILE 636 N 5.90 0.00 -4.20 2.92 5.41 -0.53 -1.03 119.36 127.84 1qas n ILE 636 Ca 0.05 0.64 -0.12 0.00 1.00 0.00 0.00 62.75 64.32 1qas n ILE 636 Cb 0.47 -1.43 -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 -2.30 0.33 0.06 4.38 1.04 -0.95 -0.28 113.70 115.98 1qas s SER 637 Ca 0.00 -1.33 0.06 0.00 0.48 0.00 0.00 55.95 55.16 1qas s SER 637 Cb 0.00 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 1qas s SER 637 CO 0.00 -0.79 -0.17 -0.83 0.98 0.00 0.00 173.24 172.44 1qas s GLY 638 N -3.14 0.95 -0.02 7.32 0.00 0.11 0.94 107.32 113.49 1qas s GLY 638 Ca 0.34 -0.99 0.01 0.00 0.00 0.00 0.00 44.72 44.08 1qas s GLY 638 CO 0.09 -0.97 -0.04 -0.86 0.00 0.00 0.00 173.10 171.32 1qas s GLN 639 N -1.42 0.49 -1.42 2.90 0.00 0.03 -3.31 119.66 116.92 1qas s GLN 639 Ca 0.03 -0.10 -0.03 0.00 -0.00 0.00 0.00 55.36 55.26 1qas s GLN 639 Cb -0.09 -0.53 0.02 0.00 0.00 0.00 0.00 33.01 32.42 1qas s GLN 639 CO 0.02 0.00 0.57 1.04 0.00 0.00 0.00 175.29 176.93 1qas n GLN 640 N 3.51 -3.90 -1.69 9.60 6.02 -1.00 -2.17 117.38 127.75 1qas n GLN 640 Ca -0.20 0.47 -0.44 0.00 -0.01 0.00 0.00 57.00 56.82 1qas n GLN 640 Cb 0.54 -4.83 -0.04 0.00 1.02 0.00 0.00 30.24 26.93 1qas n GLN 640 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1qas n LEU 641 N -4.39 3.55 -4.65 1.08 4.32 -0.96 -3.77 117.00 112.18 1qas n LEU 641 Ca -0.24 1.05 -0.39 0.00 -0.02 0.00 0.00 56.01 56.41 1qas n LEU 641 Cb 0.65 -1.48 0.04 0.00 -1.62 0.00 0.00 43.42 41.01 1qas n LEU 641 CO 0.74 -0.05 0.67 -0.81 -1.22 0.00 0.00 177.39 176.72 1qas n PRO 642 N 4.26 1.24 -2.98 3.23 -0.04 -1.26 -4.86 135.00 134.59 1qas n PRO 642 Ca 0.17 0.46 -0.15 0.00 -0.04 0.00 0.00 63.50 63.95 1qas n PRO 642 Cb 0.32 -2.24 -0.02 0.00 -0.04 0.00 0.00 33.50 31.52 1qas n PRO 642 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1qas n LYS 643 N -0.67 0.60 -3.93 0.54 5.02 -1.26 -4.92 118.16 113.54 1qas n LYS 643 Ca 0.11 -2.44 -0.30 0.00 -2.02 0.00 0.00 58.31 53.67 1qas n LYS 643 Cb 0.44 -1.44 -0.16 0.00 -0.02 0.00 0.00 35.03 33.86 1qas n LYS 643 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1qas s VAL 644 N 0.14 1.43 0.00 -0.18 1.01 -1.26 -4.60 120.40 116.94 1qas s VAL 644 Ca 0.32 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1qas s VAL 644 Cb 0.13 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1qas s VAL 644 CO -0.16 -0.05 0.19 -3.20 0.00 0.00 0.00 175.10 171.88 1qas n ASN 645 N 4.72 0.00 0.00 3.32 5.15 -1.26 -5.15 115.26 122.04 1qas n ASN 645 Ca -0.12 0.54 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 1qas n ASN 645 Cb 0.45 -0.44 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 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 -1.82 0.00 0.00 -1.44 2.08 -1.26 -5.32 119.36 111.60 1qas n ILE 651 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1qas n ILE 651 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1qas n ILE 651 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1qas n VAL 652 N -0.22 0.00 -0.08 1.39 0.24 -1.26 -4.90 118.33 113.50 1qas n VAL 652 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1qas n VAL 652 Cb 0.00 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1qas n VAL 652 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1qas n ASP 653 N 0.00 -0.13 -4.86 -1.34 9.92 -1.26 -4.67 116.55 114.21 1qas n ASP 653 Ca 0.00 -0.09 -0.31 0.00 -0.53 0.00 0.00 54.79 53.86 1qas n ASP 653 Cb 0.00 -0.04 -0.01 0.00 -0.64 0.00 0.00 41.12 40.43 1qas n ASP 653 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 1qas s PRO 654 N 0.39 3.76 -0.18 -0.24 0.02 -1.06 -0.60 135.00 137.09 1qas s PRO 654 Ca 0.02 0.80 -0.16 0.00 0.02 0.00 0.00 61.00 61.69 1qas s PRO 654 Cb -0.01 -2.14 0.05 0.00 0.02 0.00 0.00 34.50 32.42 1qas s PRO 654 CO 0.01 -0.39 0.47 -1.59 -0.33 0.00 0.00 177.00 175.17 1qas s LYS 655 N -4.59 0.54 -0.18 5.54 -2.85 -0.83 -0.15 119.74 117.22 1qas s LYS 655 Ca 0.56 0.69 -0.05 0.00 -1.00 0.00 0.00 55.97 56.17 1qas s LYS 655 Cb -0.10 0.24 -0.03 0.00 -2.06 0.00 0.00 37.83 35.88 1qas s LYS 655 CO 0.42 -0.08 -0.01 0.08 0.10 0.00 0.00 175.35 175.87 1qas s VAL 656 N 0.39 4.00 -0.16 1.79 1.01 -1.26 -1.10 120.40 125.07 1qas s VAL 656 Ca -0.01 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.59 1qas s VAL 656 Cb -0.04 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1qas s VAL 656 CO -0.01 0.46 0.07 -0.63 0.00 0.00 0.00 175.10 174.98 1qas s ILE 657 N 0.69 4.86 -0.15 2.22 1.09 0.28 -1.35 121.20 128.85 1qas s ILE 657 Ca -0.01 -0.02 0.02 0.00 -1.10 0.00 0.00 60.65 59.55 1qas s ILE 657 Cb -0.14 -3.16 0.01 0.00 -1.06 0.00 0.00 42.46 38.10 1qas s ILE 657 CO 0.02 0.50 -0.20 -0.69 -0.10 0.00 0.00 174.94 174.48 1qas s VAL 658 N 0.00 2.26 0.05 2.92 1.01 0.11 0.29 120.40 127.03 1qas s VAL 658 Ca 0.06 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.18 1qas s VAL 658 Cb -0.12 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1qas s VAL 658 CO 0.01 0.54 -0.13 -1.83 0.00 0.00 0.00 175.10 173.69 1qas s GLU 659 N 0.84 0.82 -0.16 2.72 -1.05 0.05 -0.30 118.70 121.61 1qas s GLU 659 Ca -0.06 -0.79 -0.04 0.00 -0.15 0.00 0.00 54.97 53.93 1qas s GLU 659 Cb -0.15 -0.80 -0.03 0.00 -0.44 0.00 0.00 34.13 32.71 1qas s GLU 659 CO -0.02 0.19 -0.04 0.42 0.95 0.00 0.00 175.26 176.76 1qas s ILE 660 N -1.01 3.82 -0.19 1.83 -1.09 -0.15 -0.59 121.20 123.82 1qas s ILE 660 Ca -0.01 -0.38 -0.01 0.00 -2.23 0.00 0.00 60.65 58.02 1qas s ILE 660 Cb -0.08 -2.68 0.01 0.00 -1.58 0.00 0.00 42.46 38.13 1qas s ILE 660 CO 0.01 0.49 -0.14 -1.00 -1.23 0.00 0.00 174.94 173.07 1qas s HIS 661 N 0.47 2.84 0.00 3.97 3.76 0.05 -2.21 115.29 124.18 1qas s HIS 661 Ca -0.04 -1.31 0.00 0.00 -0.15 0.00 0.00 55.06 53.57 1qas s HIS 661 Cb -0.14 -1.98 0.00 0.00 1.11 0.00 0.00 32.58 31.56 1qas s HIS 661 CO 0.03 -0.67 0.00 0.41 -0.85 0.00 0.00 174.74 173.66 1qas n GLY 662 N 4.60 2.36 3.66 -2.22 0.00 -1.26 0.36 105.19 112.69 1qas n GLY 662 Ca -0.20 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 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 0.43 2.04 0.18 1.61 -7.23 -1.26 -4.67 120.40 111.50 1qas s VAL 663 Ca 0.00 0.01 -0.24 0.00 -1.81 0.00 0.00 61.98 59.95 1qas s VAL 663 Cb 0.00 -2.46 0.08 0.00 0.56 0.00 0.00 36.38 34.56 1qas s VAL 663 CO 0.00 -0.02 1.57 1.23 -0.31 0.00 0.00 175.10 177.57 1qas h GLY 664 N -1.99 -0.33 0.57 2.32 0.00 -1.98 -2.03 103.07 99.63 1qas h GLY 664 Ca -0.55 0.55 0.05 0.00 0.00 0.00 0.00 47.33 47.37 1qas h GLY 664 CO 0.57 -0.16 0.01 3.21 0.00 0.00 0.00 176.54 180.16 1qas h ARG 665 N -0.17 0.09 0.00 4.80 3.08 -1.91 -2.82 114.38 117.45 1qas h ARG 665 Ca 0.21 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1qas h ARG 665 Cb 0.56 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1qas h ARG 665 CO -0.74 0.06 0.00 -0.44 -1.07 0.00 0.00 179.97 177.78 1qas h ASP 666 N 0.09 0.00 -2.62 7.04 3.32 -1.68 -3.43 116.42 119.14 1qas h ASP 666 Ca 0.14 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.61 1qas h ASP 666 Cb 0.17 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1qas h ASP 666 CO -0.22 0.00 1.28 -0.89 -1.72 0.00 0.00 179.24 177.68 1qas s THR 667 N -3.45 3.45 0.34 0.35 2.01 -0.91 -4.62 115.64 112.80 1qas s THR 667 Ca 0.03 0.47 -0.10 0.00 0.31 0.00 0.00 61.69 62.40 1qas s THR 667 Cb 0.09 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 69.04 1qas s THR 667 CO 0.45 -0.35 0.60 -0.83 -0.69 0.00 0.00 174.62 173.80 1qas s GLY 668 N 6.01 0.83 0.03 4.40 0.00 -0.94 -5.00 107.32 112.65 1qas s GLY 668 Ca 0.81 -1.06 -0.24 0.00 0.00 0.00 0.00 44.72 44.23 1qas s GLY 668 CO 0.34 -0.64 0.55 -0.45 0.00 0.00 0.00 173.10 172.90 1qas s SER 669 N -3.12 -0.49 0.05 1.64 0.15 -1.26 -0.98 113.70 109.69 1qas s SER 669 Ca 0.23 0.28 -0.07 0.00 0.70 0.00 0.00 55.95 57.10 1qas s SER 669 Cb -0.02 0.50 -0.01 0.00 -1.71 0.00 0.00 66.02 64.78 1qas s SER 669 CO 0.14 -0.70 0.12 -0.13 1.20 0.00 0.00 173.24 173.88 1qas s ARG 670 N -2.20 0.65 0.06 5.44 1.81 0.58 -5.00 118.95 120.29 1qas s ARG 670 Ca -0.07 -0.79 -0.05 0.00 -1.72 0.00 0.00 55.73 53.11 1qas s ARG 670 Cb -0.01 0.26 -0.02 0.00 -0.45 0.00 0.00 34.95 34.73 1qas s ARG 670 CO 0.00 -0.17 0.08 1.14 -0.68 0.00 0.00 175.30 175.67 1qas s GLN 671 N -2.87 0.70 0.41 3.54 -2.07 -1.26 0.04 119.66 118.15 1qas s GLN 671 Ca -0.03 -1.02 0.08 0.00 -1.82 0.00 0.00 55.36 52.57 1qas s GLN 671 Cb 0.00 0.27 0.00 0.00 -1.09 0.00 0.00 33.01 32.20 1qas s GLN 671 CO -0.06 -0.18 0.53 0.95 -1.32 0.00 0.00 175.29 175.21 1qas s THR 672 N -3.64 3.04 0.76 3.63 -4.23 -0.45 -5.00 115.64 109.74 1qas s THR 672 Ca 0.04 -1.05 -0.12 0.00 -1.18 0.00 0.00 61.69 59.38 1qas s THR 672 Cb 0.05 -3.03 0.05 0.00 1.34 0.00 0.00 72.50 70.91 1qas s THR 672 CO -0.09 -0.01 1.11 0.00 -0.54 0.00 0.00 174.62 175.08 1qas s ALA 673 N -2.35 2.21 -0.03 3.99 0.00 -1.26 -4.55 121.76 119.77 1qas s ALA 673 Ca 0.53 0.42 -0.26 0.00 0.00 0.00 0.00 51.96 52.65 1qas s ALA 673 Cb -0.09 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1qas s ALA 673 CO 0.32 -1.76 0.82 0.08 0.00 0.00 0.00 175.76 175.22 1qas s VAL 674 N -2.67 4.93 -0.14 0.00 1.01 -1.26 -4.52 120.40 117.75 1qas s VAL 674 Ca 0.64 1.72 -0.18 0.00 0.00 0.00 0.00 61.98 64.16 1qas s VAL 674 Cb -0.19 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1qas s VAL 674 CO 0.52 0.23 0.47 -0.63 0.00 0.00 0.00 175.10 175.68 1qas s ILE 675 N 0.78 5.18 -0.00 2.22 -1.09 0.79 -4.95 121.20 124.13 1qas s ILE 675 Ca 0.44 0.91 -0.30 0.00 -2.23 0.00 0.00 60.65 59.46 1qas s ILE 675 Cb -0.19 -3.80 -0.03 0.00 -1.58 0.00 0.00 42.46 36.85 1qas s ILE 675 CO 0.23 0.29 1.06 -0.89 -1.23 0.00 0.00 174.94 174.40 1qas s THR 676 N 0.88 4.60 -0.92 2.92 2.01 -1.26 -2.57 115.64 121.29 1qas s THR 676 Ca 0.24 1.87 -0.16 0.00 0.31 0.00 0.00 61.69 63.95 1qas s THR 676 Cb -0.15 -4.20 0.02 0.00 0.01 0.00 0.00 72.50 68.19 1qas s THR 676 CO 0.09 0.11 0.58 0.59 -0.69 0.00 0.00 174.62 175.30 1qas n ASN 677 N 4.18 -4.01 -3.15 3.53 4.13 -1.26 -4.88 115.26 113.80 1qas n ASN 677 Ca 0.08 -1.04 0.04 0.00 1.68 0.00 0.00 54.58 55.33 1qas n ASN 677 Cb 0.49 -1.43 -0.00 0.00 -1.54 0.00 0.00 39.78 37.30 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 -3.27 -1.39 -0.08 6.41 3.84 -1.26 -4.93 114.94 114.25 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 -0.12 1.86 -0.23 0.00 -0.55 0.00 0.00 41.25 42.21 1qas s ASN 678 CO 0.85 -0.24 0.23 0.61 -2.79 0.00 0.00 177.10 175.75 1qas n GLY 679 N 5.19 -0.77 0.16 1.21 0.00 -1.26 -3.88 105.19 105.84 1qas n GLY 679 Ca 0.07 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 0.50 -0.46 1.61 3.57 -1.89 -2.53 116.94 117.75 1qas h PHE 680 Ca -0.19 -0.11 -0.25 0.00 3.53 0.00 0.00 57.97 60.95 1qas h PHE 680 Cb 1.31 -0.12 -0.37 0.00 2.79 0.00 0.00 35.95 39.56 1qas h PHE 680 CO 0.00 0.67 -1.03 0.27 -2.23 0.00 0.00 178.31 175.99 1qas n ASN 681 N -4.58 1.18 -4.78 0.41 6.94 -1.26 -2.39 115.26 110.79 1qas n ASN 681 Ca -0.04 -2.15 -0.41 0.00 -0.02 0.00 0.00 54.58 51.96 1qas n ASN 681 Cb 0.29 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 1qas n ASN 681 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1qas s PRO 682 N -3.24 4.08 -0.15 -0.53 0.04 -1.21 -4.78 135.00 129.21 1qas s PRO 682 Ca 0.25 2.60 -0.01 0.00 0.04 0.00 0.00 61.00 63.88 1qas s PRO 682 Cb 0.35 -2.95 0.04 0.00 0.04 0.00 0.00 34.50 31.98 1qas s PRO 682 CO -0.04 -0.57 -0.02 0.50 0.04 0.00 0.00 177.00 176.91 1qas s ARG 683 N -2.13 1.09 -0.24 4.56 3.52 -1.26 -0.71 118.95 123.78 1qas s ARG 683 Ca 0.53 -0.36 0.04 0.00 -0.13 0.00 0.00 55.73 55.81 1qas s ARG 683 Cb -0.47 -1.80 -0.19 0.00 -1.56 0.00 0.00 34.95 30.93 1qas s ARG 683 CO 0.64 -0.45 -0.15 0.91 -0.81 0.00 0.00 175.30 175.44 1qas n TRP 684 N 4.97 0.07 -4.00 5.12 8.01 0.62 -4.98 117.44 127.26 1qas n TRP 684 Ca -0.10 0.02 -0.28 0.00 -1.31 0.00 0.00 57.50 55.83 1qas n TRP 684 Cb 0.48 -1.01 -0.02 0.00 -2.01 0.00 0.00 31.31 28.75 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 -3.20 -1.16 -4.23 -0.99 8.00 -0.19 -4.95 116.55 109.82 1qas n ASP 685 Ca -0.43 -0.99 -0.32 0.00 0.71 0.00 0.00 54.79 53.75 1qas n ASP 685 Cb 1.02 -3.05 -0.16 0.00 -0.02 0.00 0.00 41.12 38.90 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 -6.63 3.10 -0.12 -1.24 1.75 -0.73 -4.94 119.30 110.49 1qas s MET 686 Ca 0.19 -0.83 -0.07 0.00 -1.25 0.00 0.00 55.69 53.73 1qas s MET 686 Cb -0.10 -2.41 -0.04 0.00 2.84 0.00 0.00 34.83 35.12 1qas s MET 686 CO 0.89 0.11 0.13 -2.00 -0.65 0.00 0.00 175.02 173.50 1qas s GLU 687 N 0.53 3.42 0.36 4.11 2.12 -1.26 -0.60 118.70 127.37 1qas s GLU 687 Ca -0.13 -0.16 0.09 0.00 0.36 0.00 0.00 54.97 55.12 1qas s GLU 687 Cb -0.17 -3.16 -0.06 0.00 0.26 0.00 0.00 34.13 31.00 1qas s GLU 687 CO 0.05 0.76 0.00 -0.06 -0.54 0.00 0.00 175.26 175.46 1qas s PHE 688 N -0.97 2.51 -0.17 5.30 0.08 0.86 -4.96 117.98 120.64 1qas s PHE 688 Ca 0.15 -0.50 -0.05 0.00 0.12 0.00 0.00 56.93 56.65 1qas s PHE 688 Cb -0.12 -1.54 0.08 0.00 -0.57 0.00 0.00 43.02 40.87 1qas s PHE 688 CO 0.04 0.47 0.32 -2.00 -0.10 0.00 0.00 175.22 173.95 1qas s GLU 689 N -3.71 0.23 0.08 0.44 2.12 -1.26 -1.98 118.70 114.63 1qas s GLU 689 Ca 0.35 0.77 0.07 0.00 0.36 0.00 0.00 54.97 56.53 1qas s GLU 689 Cb 0.02 -0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.31 1qas s GLU 689 CO 0.19 -0.35 -0.15 -0.06 -0.54 0.00 0.00 175.26 174.34 1qas s PHE 690 N 2.49 2.61 -0.24 5.30 0.40 -0.30 -4.98 117.98 123.26 1qas s PHE 690 Ca 0.02 -0.22 -0.06 0.00 -0.60 0.00 0.00 56.93 56.07 1qas s PHE 690 Cb -0.13 -1.42 -0.02 0.00 0.51 0.00 0.00 43.02 41.95 1qas s PHE 690 CO -0.11 0.35 0.04 -2.00 0.70 0.00 0.00 175.22 174.20 1qas s GLU 691 N -1.86 3.60 -0.33 0.44 -6.30 -1.26 -1.36 118.70 111.63 1qas s GLU 691 Ca 0.17 -0.51 -0.00 0.00 -2.50 0.00 0.00 54.97 52.13 1qas s GLU 691 Cb -0.11 -3.24 0.08 0.00 0.00 0.00 0.00 34.13 30.86 1qas s GLU 691 CO 0.09 -0.17 0.05 0.08 0.02 0.00 0.00 175.26 175.33 1qas s VAL 692 N 1.52 2.81 0.21 3.70 1.01 -0.50 -4.76 120.40 124.40 1qas s VAL 692 Ca 0.06 -1.79 -0.01 0.00 0.00 0.00 0.00 61.98 60.23 1qas s VAL 692 Cb -0.15 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1qas s VAL 692 CO 0.02 -0.35 1.53 0.71 0.00 0.00 0.00 175.10 177.01 1qas h THR 693 N 6.51 1.33 -2.73 3.92 1.35 -1.87 -0.94 112.91 120.49 1qas h THR 693 Ca -0.15 -1.79 -0.61 0.00 -0.55 0.00 0.00 66.41 63.31 1qas h THR 693 Cb 1.05 1.78 -0.41 0.00 -1.73 0.00 0.00 68.15 68.84 1qas h THR 693 CO 0.56 0.55 -0.69 0.52 -0.25 0.00 0.00 175.52 176.22 1qas n VAL 694 N -3.95 1.07 0.26 6.82 0.31 -1.26 -0.88 118.33 120.69 1qas n VAL 694 Ca -0.03 -4.60 0.15 0.00 -0.01 0.00 0.00 64.34 59.85 1qas n VAL 694 Cb 0.59 -2.05 0.86 0.00 -0.91 0.00 0.00 33.84 32.33 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 5.14 0.00 0.00 5.55 0.11 -1.78 -2.93 132.00 138.10 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 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1qas h PRO 695 CO 0.66 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.20 1qas n ASP 696 N -3.92 0.51 -0.44 -2.05 8.00 -1.26 -2.86 116.55 114.52 1qas n ASP 696 Ca -0.01 0.59 0.05 0.00 0.71 0.00 0.00 54.79 56.12 1qas n ASP 696 Cb 0.16 -0.71 0.08 0.00 -0.02 0.00 0.00 41.12 40.63 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 -2.03 2.21 -4.94 0.64 4.77 -1.11 -4.85 117.00 111.70 1qas n LEU 697 Ca 0.04 -1.45 -0.26 0.00 -0.03 0.00 0.00 56.01 54.31 1qas n LEU 697 Cb 0.29 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1qas n LEU 697 CO 0.23 0.50 0.04 0.00 -1.33 0.00 0.00 177.39 176.82 1qas s ALA 698 N -0.87 3.83 -0.03 -1.18 0.00 -1.14 -4.24 121.76 118.12 1qas s ALA 698 Ca 0.14 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 1qas s ALA 698 Cb 0.09 -1.97 0.01 0.00 0.00 0.00 0.00 23.12 21.24 1qas s ALA 698 CO 0.12 0.34 0.09 -0.51 0.00 0.00 0.00 175.76 175.80 1qas s LEU 699 N -3.57 1.65 -0.22 0.00 1.02 0.16 -1.58 118.68 116.14 1qas s LEU 699 Ca 0.38 0.16 -0.07 0.00 0.02 0.00 0.00 54.13 54.62 1qas s LEU 699 Cb -0.10 0.33 -0.03 0.00 0.02 0.00 0.00 46.19 46.40 1qas s LEU 699 CO 0.30 -0.05 0.06 -0.69 0.02 0.00 0.00 176.35 175.99 1qas s VAL 700 N -0.04 4.49 -0.15 -1.59 1.01 0.16 -0.77 120.40 123.52 1qas s VAL 700 Ca -0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 61.84 1qas s VAL 700 Cb -0.01 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 1qas s VAL 700 CO 0.00 0.39 -0.13 -0.60 0.00 0.00 0.00 175.10 174.76 1qas s ARG 701 N 1.08 3.30 -0.19 2.72 3.52 0.25 0.13 118.95 129.75 1qas s ARG 701 Ca 0.04 -0.71 -0.08 0.00 -0.13 0.00 0.00 55.73 54.85 1qas s ARG 701 Cb -0.14 -2.66 -0.04 0.00 -1.56 0.00 0.00 34.95 30.54 1qas s ARG 701 CO 0.03 0.08 0.08 -0.06 -0.81 0.00 0.00 175.30 174.62 1qas s PHE 702 N 0.68 3.29 -0.06 5.12 0.40 0.35 -0.77 117.98 126.99 1qas s PHE 702 Ca -0.07 0.13 0.01 0.00 -0.60 0.00 0.00 56.93 56.40 1qas s PHE 702 Cb -0.15 -2.11 0.02 0.00 0.51 0.00 0.00 43.02 41.28 1qas s PHE 702 CO 0.02 0.17 -0.06 1.41 0.70 0.00 0.00 175.22 177.46 1qas s MET 703 N 0.43 1.12 -0.19 0.44 1.75 0.15 -1.37 119.30 121.63 1qas s MET 703 Ca 0.05 -0.18 -0.02 0.00 -1.25 0.00 0.00 55.69 54.28 1qas s MET 703 Cb -0.12 -1.10 -0.01 0.00 2.84 0.00 0.00 34.83 36.44 1qas s MET 703 CO -0.00 -0.10 -0.08 0.08 -0.65 0.00 0.00 175.02 174.27 1qas s VAL 704 N 1.08 3.20 0.29 10.11 1.01 -0.31 1.00 120.40 136.77 1qas s VAL 704 Ca -0.08 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 61.43 1qas s VAL 704 Cb -0.14 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1qas s VAL 704 CO -0.01 0.47 -0.03 -1.61 0.00 0.00 0.00 175.10 173.92 1qas s GLU 705 N 1.08 2.15 -0.41 2.72 2.02 -0.26 -0.54 118.70 125.46 1qas s GLU 705 Ca 0.01 -1.55 -0.08 0.00 0.02 0.00 0.00 54.97 53.36 1qas s GLU 705 Cb -0.15 -2.05 0.08 0.00 0.10 0.00 0.00 34.13 32.12 1qas s GLU 705 CO -0.01 0.30 0.25 0.34 0.02 0.00 0.00 175.26 176.15 1qas s ASP 706 N -3.66 5.58 0.36 -0.19 2.15 0.23 -1.97 116.67 119.17 1qas s ASP 706 Ca 0.32 -1.55 -0.28 0.00 0.43 0.00 0.00 52.55 51.47 1qas s ASP 706 Cb -0.05 -1.96 -0.11 0.00 -0.30 0.00 0.00 42.92 40.50 1qas s ASP 706 CO 0.19 -0.53 1.41 -0.47 -0.17 0.00 0.00 175.17 175.60 1qas s TYR 707 N 1.39 2.76 -0.29 -5.34 5.04 0.23 -0.46 117.35 120.69 1qas s TYR 707 Ca 0.03 1.27 0.02 0.00 -2.44 0.00 0.00 57.07 55.96 1qas s TYR 707 Cb -0.23 -3.88 0.19 0.00 0.35 0.00 0.00 41.96 38.39 1qas s TYR 707 CO 0.01 -2.53 0.56 0.34 -1.34 0.00 0.00 175.55 172.59 1qas s ASP 708 N -0.30 -1.18 0.34 4.32 -1.08 -1.26 -4.72 116.67 112.79 1qas s ASP 708 Ca 0.52 0.41 0.09 0.00 -0.52 0.00 0.00 52.55 53.05 1qas s ASP 708 Cb -0.44 1.92 0.84 0.00 -1.46 0.00 0.00 42.92 43.78 1qas s ASP 708 CO 0.59 -0.29 1.80 0.77 0.52 0.00 0.00 175.17 178.56 1qas h SER 709 N 8.03 0.68 -2.46 -0.34 4.64 -1.94 -2.91 113.55 119.25 1qas h SER 709 Ca -0.12 0.08 -0.59 0.00 -0.47 0.00 0.00 61.79 60.68 1qas h SER 709 Cb 1.17 -0.05 -0.40 0.00 -0.31 0.00 0.00 62.40 62.81 1qas h SER 709 CO 0.22 0.25 -0.80 -1.20 -0.87 0.00 0.00 176.83 174.43 1qas n SER 710 N -4.67 1.67 0.00 4.97 7.64 -1.26 -4.66 113.62 117.30 1qas n SER 710 Ca 0.22 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 57.16 1qas n SER 710 Cb 0.60 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 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 1.81 0.00 -0.75 6.43 2.88 -1.23 -5.13 113.62 117.64 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 -2.15 -1.79 -1.46 0.00 -1.10 -4.91 118.16 106.75 1qas n LYS 712 Ca 0.00 1.60 -0.41 0.00 0.00 0.00 0.00 58.31 59.50 1qas n LYS 712 Cb 0.00 -1.80 -0.00 0.00 0.00 0.00 0.00 35.03 33.23 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 -2.67 6.32 -0.15 3.14 0.01 -1.26 -4.61 114.94 115.72 1qas s ASN 713 Ca 0.00 3.07 -0.15 0.00 -0.71 0.00 0.00 52.86 55.07 1qas s ASN 713 Cb 0.00 -2.67 -0.05 0.00 0.41 0.00 0.00 41.25 38.95 1qas s ASN 713 CO 0.00 -0.89 0.33 -1.81 -1.51 0.00 0.00 177.10 173.22 1qas s ASP 714 N -0.13 6.49 0.02 -1.22 1.11 0.39 -4.79 116.67 118.54 1qas s ASP 714 Ca 0.53 0.57 -0.30 0.00 0.18 0.00 0.00 52.55 53.53 1qas s ASP 714 Cb -0.47 -2.20 -0.08 0.00 1.07 0.00 0.00 42.92 41.24 1qas s ASP 714 CO 0.64 0.08 1.82 0.12 1.18 0.00 0.00 175.17 179.01 1qas s PHE 715 N 0.47 1.69 -0.24 4.23 2.19 -1.26 0.78 117.98 125.84 1qas s PHE 715 Ca 0.18 -0.14 -0.18 0.00 0.33 0.00 0.00 56.93 57.13 1qas s PHE 715 Cb -0.13 -4.10 -0.15 0.00 -1.31 0.00 0.00 43.02 37.32 1qas s PHE 715 CO 0.05 -4.79 -0.05 -0.89 1.83 0.00 0.00 175.22 171.38 1qas n ILE 716 N 5.38 1.53 -3.63 3.12 5.41 0.30 -4.89 119.36 126.58 1qas n ILE 716 Ca 0.18 -0.17 -0.03 0.00 1.00 0.00 0.00 62.75 63.73 1qas n ILE 716 Cb 0.41 -1.99 -0.01 0.00 -0.71 0.00 0.00 39.64 37.34 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 -5.12 -0.35 0.25 7.39 0.00 -1.12 -4.75 107.32 103.62 1qas s GLY 717 Ca -0.33 0.76 -0.15 0.00 0.00 0.00 0.00 44.72 45.00 1qas s GLY 717 CO 0.54 0.20 0.54 -0.86 0.00 0.00 0.00 173.10 173.52 1qas s GLN 718 N -2.80 1.58 -0.23 2.90 1.03 0.16 -1.16 119.66 121.13 1qas s GLN 718 Ca 0.11 -1.14 -0.19 0.00 0.04 0.00 0.00 55.36 54.18 1qas s GLN 718 Cb 0.01 0.51 0.06 0.00 0.03 0.00 0.00 33.01 33.62 1qas s GLN 718 CO -0.03 -0.68 0.61 0.45 -2.54 0.00 0.00 175.29 173.10 1qas s SER 719 N -2.98 -0.70 -0.10 12.60 0.15 -0.47 0.76 113.70 122.96 1qas s SER 719 Ca 0.18 1.26 0.02 0.00 0.70 0.00 0.00 55.95 58.11 1qas s SER 719 Cb -0.02 1.23 0.01 0.00 -1.71 0.00 0.00 66.02 65.53 1qas s SER 719 CO 0.07 -0.22 -0.16 -0.89 1.20 0.00 0.00 173.24 173.24 1qas s THR 720 N 0.75 1.55 -0.12 6.45 2.01 -1.26 -0.49 115.64 124.53 1qas s THR 720 Ca -0.03 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.29 1qas s THR 720 Cb -0.05 -1.40 0.02 0.00 0.01 0.00 0.00 72.50 71.08 1qas s THR 720 CO -0.05 0.45 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.56 1qas s ILE 721 N 0.83 1.40 0.37 1.82 1.01 0.12 -4.61 121.20 122.14 1qas s ILE 721 Ca -0.10 -0.56 -0.28 0.00 0.00 0.00 0.00 60.65 59.71 1qas s ILE 721 Cb -0.16 -1.31 -0.11 0.00 0.01 0.00 0.00 42.46 40.90 1qas s ILE 721 CO 0.01 0.43 1.46 -2.84 0.00 0.00 0.00 174.94 173.99 1qas s PRO 722 N 1.22 4.15 0.12 2.79 0.02 -1.26 0.39 135.00 142.42 1qas s PRO 722 Ca -0.02 2.51 -0.23 0.00 0.02 0.00 0.00 61.00 63.28 1qas s PRO 722 Cb -0.14 -2.98 -0.05 0.00 0.02 0.00 0.00 34.50 31.35 1qas s PRO 722 CO -0.05 -0.48 1.36 1.87 -0.33 0.00 0.00 177.00 179.38 1qas n TRP 723 N 0.51 -0.32 0.45 6.54 -0.00 -0.62 -0.21 117.44 123.78 1qas n TRP 723 Ca 0.01 0.92 0.01 0.00 -0.00 0.00 0.00 57.50 58.44 1qas n TRP 723 Cb 0.40 -0.55 0.07 0.00 -0.00 0.00 0.00 31.31 31.22 1qas n TRP 723 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1qas n ASN 724 N -4.67 0.00 -0.01 5.87 3.02 -1.26 -0.79 115.26 117.42 1qas n ASN 724 Ca 0.01 -0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.19 1qas n ASN 724 Cb 0.19 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 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 -0.65 0.97 -4.58 6.41 7.64 0.70 -4.98 113.62 119.13 1qas n SER 725 Ca 0.02 -0.99 -0.43 0.00 1.01 0.00 0.00 58.87 58.49 1qas n SER 725 Cb 0.01 0.05 -0.02 0.00 -1.01 0.00 0.00 64.21 63.23 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 3.58 0.40 -3.43 2.96 0.03 -0.25 118.68 121.84 1qas s LEU 726 Ca 0.00 0.18 -0.23 0.00 -0.22 0.00 0.00 54.13 53.87 1qas s LEU 726 Cb 0.00 -3.26 -0.10 0.00 0.50 0.00 0.00 46.19 43.33 1qas s LEU 726 CO 0.00 -1.38 0.99 -0.54 -1.32 0.00 0.00 176.35 174.11 1qas s LYS 727 N 4.68 4.25 0.49 1.98 1.02 -0.15 -4.96 119.74 127.04 1qas s LYS 727 Ca 0.43 1.33 0.02 0.00 0.02 0.00 0.00 55.97 57.77 1qas s LYS 727 Cb -0.08 -2.44 0.02 0.00 -0.52 0.00 0.00 37.83 34.80 1qas s LYS 727 CO 0.27 -0.03 0.70 -0.65 -0.92 0.00 0.00 175.35 174.72 1qas s GLN 728 N -2.68 2.77 1.87 1.68 -0.21 -1.26 -4.68 119.66 117.15 1qas s GLN 728 Ca 0.58 -0.76 0.00 0.00 0.02 0.00 0.00 55.36 55.20 1qas s GLN 728 Cb -0.17 -2.56 0.00 0.00 1.00 0.00 0.00 33.01 31.28 1qas s GLN 728 CO 0.21 -0.48 0.00 0.41 -2.12 0.00 0.00 175.29 173.31 1qas n GLY 729 N -2.16 -0.83 3.67 3.09 0.00 0.08 -4.56 105.19 104.48 1qas n GLY 729 Ca 0.05 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 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 3.42 0.05 1.61 1.51 -1.26 -0.95 117.35 121.73 1qas s TYR 730 Ca 0.00 1.30 -0.06 0.00 -1.01 0.00 0.00 57.07 57.29 1qas s TYR 730 Cb 0.00 -3.04 -0.01 0.00 -0.11 0.00 0.00 41.96 38.80 1qas s TYR 730 CO 0.00 -0.25 0.12 1.03 -1.11 0.00 0.00 175.55 175.34 1qas s ARG 731 N 2.18 0.66 -0.21 -0.62 1.81 -0.21 -4.96 118.95 117.61 1qas s ARG 731 Ca 0.39 -0.83 -0.06 0.00 -1.72 0.00 0.00 55.73 53.52 1qas s ARG 731 Cb -0.17 0.26 -0.03 0.00 -0.45 0.00 0.00 34.95 34.57 1qas s ARG 731 CO 0.13 -0.18 0.03 -1.01 -0.68 0.00 0.00 175.30 173.59 1qas s HIS 732 N -3.01 3.09 -0.30 -0.53 3.76 -0.96 -0.82 115.29 116.51 1qas s HIS 732 Ca -0.02 -0.33 -0.23 0.00 -0.15 0.00 0.00 55.06 54.33 1qas s HIS 732 Cb 0.01 -2.11 -0.00 0.00 1.11 0.00 0.00 32.58 31.59 1qas s HIS 732 CO -0.06 -0.18 0.74 0.08 -0.85 0.00 0.00 174.74 174.47 1qas s VAL 733 N 0.99 4.84 -0.46 -0.90 1.01 0.53 -2.81 120.40 123.60 1qas s VAL 733 Ca 0.02 1.11 -0.21 0.00 0.00 0.00 0.00 61.98 62.90 1qas s VAL 733 Cb -0.14 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.17 1qas s VAL 733 CO 0.02 -0.20 0.68 -1.00 0.00 0.00 0.00 175.10 174.60 1qas s HIS 734 N 2.84 3.03 0.53 5.22 3.76 -1.26 -1.50 115.29 127.91 1qas s HIS 734 Ca 0.30 -0.08 -0.22 0.00 -0.15 0.00 0.00 55.06 54.91 1qas s HIS 734 Cb -0.14 -3.47 -0.05 0.00 1.11 0.00 0.00 32.58 30.02 1qas s HIS 734 CO 0.12 -0.94 1.28 -0.51 -0.85 0.00 0.00 174.74 173.84 1qas s LEU 735 N 2.95 3.88 0.18 0.89 1.43 -0.75 -4.78 118.68 122.48 1qas s LEU 735 Ca 0.23 2.58 0.10 0.00 -1.03 0.00 0.00 54.13 56.02 1qas s LEU 735 Cb -0.14 -4.30 -0.04 0.00 0.03 0.00 0.00 46.19 41.73 1qas s LEU 735 CO 0.19 -1.38 -0.17 -0.76 0.23 0.00 0.00 176.35 174.45 1qas s LEU 736 N -3.44 2.70 0.00 1.79 1.43 0.23 -1.64 118.68 119.75 1qas s LEU 736 Ca 0.70 -0.71 -0.07 0.00 -1.03 0.00 0.00 54.13 53.02 1qas s LEU 736 Cb -0.36 -1.43 0.16 0.00 0.03 0.00 0.00 46.19 44.59 1qas s LEU 736 CO 0.42 0.12 0.98 -1.54 0.23 0.00 0.00 176.35 176.56 1qas n SER 737 N 0.21 0.59 0.07 2.29 3.41 0.47 -0.67 113.62 119.99 1qas n SER 737 Ca -0.12 -1.67 0.04 0.00 -0.26 0.00 0.00 58.87 56.86 1qas n SER 737 Cb 0.55 -0.70 0.44 0.00 -0.26 0.00 0.00 64.21 64.24 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 0.39 -0.01 4.33 1.57 -1.89 0.28 116.57 121.24 1qas h LYS 738 Ca -0.32 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1qas h LYS 738 Cb 1.01 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1qas h LYS 738 CO 0.28 0.32 0.00 0.27 -0.57 0.00 0.00 179.45 179.75 1qas n ASN 739 N -4.43 0.12 -0.05 0.86 6.94 -1.26 -4.61 115.26 112.82 1qas n ASN 739 Ca 0.01 -1.23 -0.01 0.00 -0.02 0.00 0.00 54.58 53.33 1qas n ASN 739 Cb 0.12 -0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.54 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 0.92 0.48 3.74 4.83 0.00 0.09 -5.03 105.19 110.22 1qas n GLY 740 Ca 0.19 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.53 6.71 0.02 1.61 1.11 -1.26 -4.72 116.67 117.63 1qas s ASP 741 Ca 0.00 0.84 -0.30 0.00 0.18 0.00 0.00 52.55 53.27 1qas s ASP 741 Cb 0.00 -2.28 -0.07 0.00 1.07 0.00 0.00 42.92 41.64 1qas s ASP 741 CO 0.00 0.06 1.63 -1.58 1.18 0.00 0.00 175.17 176.46 1qas s GLN 742 N 0.30 4.20 0.26 8.23 0.74 -1.26 -0.40 119.66 131.74 1qas s GLN 742 Ca 0.25 2.25 -0.30 0.00 0.05 0.00 0.00 55.36 57.62 1qas s GLN 742 Cb -0.15 -3.72 -0.10 0.00 1.10 0.00 0.00 33.01 30.13 1qas s GLN 742 CO 0.11 -0.75 1.46 -1.01 -0.55 0.00 0.00 175.29 174.55 1qas s HIS 743 N 3.06 2.96 0.32 1.67 3.76 -0.65 -4.90 115.29 121.51 1qas s HIS 743 Ca 0.73 1.00 0.05 0.00 -0.15 0.00 0.00 55.06 56.69 1qas s HIS 743 Cb -0.37 -3.87 0.69 0.00 1.11 0.00 0.00 32.58 30.14 1qas s HIS 743 CO 0.31 -2.81 1.86 -1.00 -0.85 0.00 0.00 174.74 172.25 1qas h PRO 744 N 4.87 0.82 0.00 8.40 0.13 -1.93 -3.31 132.00 140.98 1qas h PRO 744 Ca -0.46 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1qas h PRO 744 Cb 1.22 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1qas h PRO 744 CO 0.77 0.54 -0.03 -1.13 -0.23 0.00 0.00 178.00 177.92 1qas n SER 745 N -4.58 0.39 -4.67 1.44 3.41 -1.26 -5.06 113.62 103.29 1qas n SER 745 Ca 0.17 -1.26 -0.41 0.00 -0.26 0.00 0.00 58.87 57.11 1qas n SER 745 Cb 0.39 -0.02 -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 -0.22 3.51 0.22 7.33 0.00 -1.25 -4.44 121.76 126.91 1qas s ALA 746 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 51.96 51.94 1qas s ALA 746 Cb 0.00 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 1qas s ALA 746 CO 0.00 -0.64 0.36 0.95 0.00 0.00 0.00 175.76 176.43 1qas s THR 747 N 2.13 0.01 -0.08 0.00 -4.23 -0.92 -1.80 115.64 110.74 1qas s THR 747 Ca 0.39 -1.54 0.01 0.00 -1.18 0.00 0.00 61.69 59.37 1qas s THR 747 Cb -0.17 -2.20 0.02 0.00 1.34 0.00 0.00 72.50 71.49 1qas s THR 747 CO 0.13 -0.06 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.31 1qas s LEU 748 N -3.04 1.35 -0.13 4.79 1.43 -0.56 -0.79 118.68 121.73 1qas s LEU 748 Ca 0.25 -0.27 -0.23 0.00 -1.03 0.00 0.00 54.13 52.85 1qas s LEU 748 Cb 0.02 -0.77 -0.03 0.00 0.03 0.00 0.00 46.19 45.44 1qas s LEU 748 CO 0.08 -0.06 0.72 0.12 0.23 0.00 0.00 176.35 177.45 1qas s PHE 749 N 1.22 3.48 0.16 0.29 5.36 0.27 -0.35 117.98 128.41 1qas s PHE 749 Ca -0.05 1.17 -0.01 0.00 -0.96 0.00 0.00 56.93 57.09 1qas s PHE 749 Cb -0.14 -2.86 -0.04 0.00 -0.34 0.00 0.00 43.02 39.63 1qas s PHE 749 CO -0.02 -0.07 0.08 0.14 -1.46 0.00 0.00 175.22 173.88 1qas s VAL 750 N 1.46 0.11 -0.08 3.12 -7.23 -0.00 -1.46 120.40 116.32 1qas s VAL 750 Ca 0.36 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 1qas s VAL 750 Cb -0.17 -2.20 0.02 0.00 0.56 0.00 0.00 36.38 34.58 1qas s VAL 750 CO 0.15 -0.31 -0.12 -0.75 -0.31 0.00 0.00 175.10 173.76 1qas s LYS 751 N -4.08 1.77 -0.06 4.82 2.20 -0.47 -1.04 119.74 122.89 1qas s LYS 751 Ca 0.29 -0.41 0.04 0.00 -0.36 0.00 0.00 55.97 55.53 1qas s LYS 751 Cb 0.07 -1.53 -0.02 0.00 -1.51 0.00 0.00 37.83 34.84 1qas s LYS 751 CO 0.05 -0.04 -0.17 0.42 -0.36 0.00 0.00 175.35 175.26 1qas s ILE 752 N 0.90 2.81 -0.06 5.43 1.01 -0.13 -0.51 121.20 130.65 1qas s ILE 752 Ca -0.10 -0.81 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 1qas s ILE 752 Cb -0.15 -2.09 0.03 0.00 0.01 0.00 0.00 42.46 40.26 1qas s ILE 752 CO 0.01 0.58 0.07 -0.55 0.00 0.00 0.00 174.94 175.05 1qas s SER 753 N -0.50 1.27 -0.22 3.58 0.15 -0.02 -0.74 113.70 117.22 1qas s SER 753 Ca 0.06 0.01 -0.03 0.00 0.70 0.00 0.00 55.95 56.69 1qas s SER 753 Cb -0.12 -0.13 -0.00 0.00 -1.71 0.00 0.00 66.02 64.06 1qas s SER 753 CO 0.01 -0.26 -0.06 -0.63 1.20 0.00 0.00 173.24 173.50 1qas s ILE 754 N 2.17 3.23 -0.06 6.45 1.01 -1.26 0.15 121.20 132.89 1qas s ILE 754 Ca 0.05 -0.56 0.04 0.00 0.00 0.00 0.00 60.65 60.18 1qas s ILE 754 Cb -0.13 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 1qas s ILE 754 CO -0.04 0.42 -0.19 -1.10 0.00 0.00 0.00 174.94 174.04 1qas s GLN 755 N 1.45 2.63 0.00 2.79 -1.52 0.22 -4.95 119.66 120.29 1qas s GLN 755 Ca 0.05 -0.78 0.30 0.00 -1.95 0.00 0.00 55.36 52.98 1qas s GLN 755 Cb -0.14 -2.32 1.54 0.00 -0.22 0.00 0.00 33.01 31.86 1qas s GLN 755 CO -0.04 0.47 2.02 -0.25 -0.25 0.00 0.00 175.29 177.24