#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1djx h ILE 201 N 0.00 0.15 0.00 -3.67 2.04 -2.03 -0.66 117.51 113.34 1djx h ILE 201 Ca 0.00 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 1djx h ILE 201 Cb 0.00 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.15 1djx h ILE 201 CO 0.00 0.01 -0.95 -0.62 0.00 0.00 0.00 178.15 176.59 1djx n GLU 202 N -4.37 0.17 0.00 2.37 1.02 -1.26 -4.36 120.64 114.20 1djx n GLU 202 Ca 0.37 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1djx n GLU 202 Cb 1.56 -0.78 0.00 0.00 -0.02 0.00 0.00 31.44 32.19 1djx n GLU 202 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1djx n THR 203 N -3.55 0.00 -0.11 2.62 -1.04 -0.94 0.30 114.28 111.56 1djx n THR 203 Ca -0.11 0.59 -0.08 0.00 -2.04 0.00 0.00 64.05 62.41 1djx n THR 203 Cb 0.41 -0.84 -0.06 0.00 -1.82 0.00 0.00 70.33 68.02 1djx n THR 203 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 1djx h PHE 204 N 0.00 -0.99 -0.84 -1.42 3.57 -1.46 1.82 116.94 117.62 1djx h PHE 204 Ca 0.00 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.63 1djx h PHE 204 Cb 0.00 0.47 -0.10 0.00 2.79 0.00 0.00 35.95 39.11 1djx h PHE 204 CO -0.14 -0.27 -0.53 -0.92 -2.23 0.00 0.00 178.31 174.22 1djx h TYR 205 N -0.19 -1.70 0.00 0.41 5.03 -0.44 0.89 116.97 120.99 1djx h TYR 205 Ca 0.05 0.11 -0.15 0.00 2.58 0.00 0.00 58.73 61.32 1djx h TYR 205 Cb 0.32 0.85 -0.02 0.00 1.55 0.00 0.00 36.73 39.43 1djx h TYR 205 CO -0.73 -0.35 -0.75 0.87 -1.32 0.00 0.00 178.16 175.88 1djx h LYS 206 N -0.05 0.00 -0.28 1.82 1.57 0.49 -2.72 116.57 117.41 1djx h LYS 206 Ca 0.13 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.76 1djx h LYS 206 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1djx h LYS 206 CO -0.81 0.70 -0.46 1.98 -0.57 0.00 0.00 179.45 180.28 1djx h MET 207 N 0.00 0.73 -0.30 3.15 4.05 0.42 -0.74 114.93 122.24 1djx h MET 207 Ca -0.02 -0.41 -0.14 0.00 -0.28 0.00 0.00 59.70 58.84 1djx h MET 207 Cb 1.56 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 32.38 1djx h MET 207 CO 0.09 1.04 -0.40 -0.07 0.23 0.00 0.00 176.91 177.80 1djx h LEU 208 N 0.58 0.76 -3.72 3.39 -0.00 0.67 -2.94 115.31 114.05 1djx h LEU 208 Ca 0.03 -0.34 -0.48 0.00 -0.00 0.00 0.00 57.88 57.09 1djx h LEU 208 Cb 1.02 -0.21 -0.20 0.00 -0.00 0.00 0.00 40.66 41.27 1djx h LEU 208 CO 0.10 1.06 0.62 0.41 -0.00 0.00 0.00 178.44 180.63 1djx n THR 209 N -4.04 3.16 -5.12 0.22 -1.04 -0.98 -4.90 114.28 101.58 1djx n THR 209 Ca -0.02 -2.23 -0.32 0.00 -2.04 0.00 0.00 64.05 59.44 1djx n THR 209 Cb 0.53 -1.26 -0.15 0.00 -1.82 0.00 0.00 70.33 67.62 1djx n THR 209 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1djx s GLN 210 N -2.69 2.54 -0.46 -2.82 0.74 -0.32 -4.86 119.66 111.79 1djx s GLN 210 Ca 0.46 -0.83 0.03 0.00 0.05 0.00 0.00 55.36 55.06 1djx s GLN 210 Cb 0.36 -2.24 0.15 0.00 1.10 0.00 0.00 33.01 32.37 1djx s GLN 210 CO -0.01 0.47 0.29 1.03 -0.55 0.00 0.00 175.29 176.51 1djx s ARG 211 N -0.35 1.29 0.28 1.67 0.52 -1.26 -5.00 118.95 116.10 1djx s ARG 211 Ca 0.02 -2.13 0.01 0.00 -0.52 0.00 0.00 55.73 53.12 1djx s ARG 211 Cb -0.12 -2.20 0.68 0.00 0.52 0.00 0.00 34.95 33.83 1djx s ARG 211 CO 0.02 -1.23 1.65 0.00 0.02 0.00 0.00 175.30 175.77 1djx h ALA 212 N 6.38 1.24 -0.56 2.13 0.00 -1.98 0.53 119.26 126.99 1djx h ALA 212 Ca 0.07 0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.24 1djx h ALA 212 Cb 0.91 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1djx h ALA 212 CO 0.47 -0.45 0.37 1.05 0.00 0.00 0.00 179.25 180.69 1djx h GLU 213 N 0.22 0.60 -0.13 0.00 9.09 -1.99 0.77 114.58 123.14 1djx h GLU 213 Ca 0.54 -0.04 -0.16 0.00 0.05 0.00 0.00 59.36 59.75 1djx h GLU 213 Cb 1.06 -0.14 0.01 0.00 -1.65 0.00 0.00 28.75 28.03 1djx h GLU 213 CO -0.64 0.40 -0.53 0.82 0.05 0.00 0.00 179.01 179.10 1djx h ILE 214 N 0.62 1.34 0.03 -1.06 1.08 -0.45 -1.74 117.51 117.34 1djx h ILE 214 Ca 0.23 -1.82 0.03 0.00 -0.39 0.00 0.00 64.86 62.91 1djx h ILE 214 Cb 0.14 2.09 -0.04 0.00 -3.07 0.00 0.00 36.82 35.94 1djx h ILE 214 CO -0.06 0.55 -0.23 0.44 -0.69 0.00 0.00 178.15 178.16 1djx h ASP 215 N 0.23 -0.68 -0.18 1.72 3.32 0.60 0.94 116.42 122.37 1djx h ASP 215 Ca -0.03 0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.16 1djx h ASP 215 Cb 1.17 0.27 -0.06 0.00 0.22 0.00 0.00 39.33 40.94 1djx h ASP 215 CO 0.11 -0.31 -0.18 0.03 -1.72 0.00 0.00 179.24 177.18 1djx h ARG 216 N -0.39 -0.19 -0.67 3.56 3.08 0.50 0.25 114.38 120.52 1djx h ARG 216 Ca 0.05 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.17 1djx h ARG 216 Cb 0.45 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.49 1djx h ARG 216 CO -0.19 -0.12 0.37 0.00 -1.07 0.00 0.00 179.97 178.96 1djx h ALA 217 N 0.89 0.90 -0.00 0.04 0.00 -0.91 0.23 119.26 120.40 1djx h ALA 217 Ca 0.12 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1djx h ALA 217 Cb 0.37 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1djx h ALA 217 CO -0.30 0.05 0.00 0.35 0.00 0.00 0.00 179.25 179.35 1djx h PHE 218 N 0.69 0.00 -0.54 0.00 3.57 0.07 -1.46 116.94 119.26 1djx h PHE 218 Ca 0.30 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.90 1djx h PHE 218 Cb 0.19 -0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.84 1djx h PHE 218 CO -0.08 0.18 0.06 0.93 -2.23 0.00 0.00 178.31 177.17 1djx h GLU 219 N -0.18 0.18 0.39 1.11 5.08 0.22 0.47 114.58 121.86 1djx h GLU 219 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1djx h GLU 219 Cb 0.18 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1djx h GLU 219 CO -0.00 0.12 -0.35 0.93 -1.00 0.00 0.00 179.01 178.71 1djx h GLU 220 N 0.18 -0.72 -0.04 2.33 4.39 -0.37 3.03 114.58 123.38 1djx h GLU 220 Ca 0.28 0.05 -0.02 0.00 0.34 0.00 0.00 59.36 60.01 1djx h GLU 220 Cb 0.42 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1djx h GLU 220 CO -0.41 -0.48 -0.07 0.00 -1.16 0.00 0.00 179.01 176.89 1djx h ALA 221 N -0.29 1.80 0.00 3.43 0.00 -0.35 -3.22 119.26 120.64 1djx h ALA 221 Ca -0.03 -0.09 -0.35 0.00 0.00 0.00 0.00 54.91 54.43 1djx h ALA 221 Cb 0.66 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 1djx h ALA 221 CO -0.04 0.15 -2.23 0.00 0.00 0.00 0.00 179.25 177.14 1djx n ALA 222 N -2.52 1.47 -0.61 0.00 0.00 0.16 -4.84 120.51 114.17 1djx n ALA 222 Ca -0.02 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 52.26 1djx n ALA 222 Cb 0.17 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1djx n ALA 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1djx n GLY 223 N 1.76 2.06 0.33 0.00 0.00 1.01 -3.39 105.19 106.95 1djx n GLY 223 Ca -0.30 -0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.11 1djx n GLY 223 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1djx h SER 224 N 7.12 -1.02 -3.09 1.61 4.64 -1.95 -3.45 113.55 117.41 1djx h SER 224 Ca 0.00 0.17 -0.55 0.00 -0.47 0.00 0.00 61.79 60.94 1djx h SER 224 Cb 0.00 0.47 0.21 0.00 -0.31 0.00 0.00 62.40 62.76 1djx h SER 224 CO 0.00 -0.32 -0.70 0.00 -0.87 0.00 0.00 176.83 174.93 1djx n ALA 225 N -2.94 -2.58 0.35 5.18 0.00 -1.22 -4.94 120.51 114.37 1djx n ALA 225 Ca -0.00 -0.45 0.11 0.00 0.00 0.00 0.00 53.44 53.10 1djx n ALA 225 Cb 0.33 -1.72 0.19 0.00 0.00 0.00 0.00 19.45 18.25 1djx n ALA 225 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1djx n GLU 226 N -0.63 2.39 -3.93 0.00 1.02 -1.26 -4.90 120.64 113.33 1djx n GLU 226 Ca 0.07 -2.18 -0.10 0.00 -0.02 0.00 0.00 57.16 54.93 1djx n GLU 226 Cb 0.52 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.40 1djx n GLU 226 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1djx s THR 227 N -1.47 0.05 -0.23 2.62 -4.23 -1.26 -4.58 115.64 106.54 1djx s THR 227 Ca 0.35 -1.30 -0.07 0.00 -1.18 0.00 0.00 61.69 59.50 1djx s THR 227 Cb 0.21 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 72.15 1djx s THR 227 CO 0.30 -0.21 0.05 -0.76 -0.54 0.00 0.00 174.62 173.46 1djx s LEU 228 N -2.97 3.39 0.65 4.79 1.43 0.84 -4.85 118.68 121.96 1djx s LEU 228 Ca 0.17 -0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 1djx s LEU 228 Cb 0.02 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1djx s LEU 228 CO 0.01 0.01 1.05 -0.94 0.23 0.00 0.00 176.35 176.71 1djx s SER 229 N 1.36 5.98 0.28 2.29 1.04 -1.26 -0.69 113.70 122.70 1djx s SER 229 Ca 0.05 1.36 0.03 0.00 0.48 0.00 0.00 55.95 57.87 1djx s SER 229 Cb -0.15 -2.34 0.66 0.00 0.10 0.00 0.00 66.02 64.28 1djx s SER 229 CO 0.03 -1.02 1.75 0.58 0.98 0.00 0.00 173.24 175.55 1djx h VAL 230 N -0.43 0.64 0.01 5.02 2.07 -1.93 0.35 116.25 121.98 1djx h VAL 230 Ca -0.44 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1djx h VAL 230 Cb 1.21 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1djx h VAL 230 CO 0.62 0.11 -0.00 -0.08 0.02 0.00 0.00 177.57 178.23 1djx h GLU 231 N 0.59 -0.01 -0.56 1.57 4.81 -1.92 0.31 114.58 119.38 1djx h GLU 231 Ca 0.53 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.70 1djx h GLU 231 Cb 0.86 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 1djx h GLU 231 CO -0.42 0.09 0.13 0.00 -0.73 0.00 0.00 179.01 178.08 1djx h ARG 232 N -0.11 0.86 -0.11 1.92 3.08 -1.38 -0.71 114.38 117.94 1djx h ARG 232 Ca -0.00 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1djx h ARG 232 Cb 0.10 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1djx h ARG 232 CO 0.00 0.78 0.04 1.25 -1.07 0.00 0.00 179.97 180.97 1djx h LEU 233 N 0.83 0.16 -1.31 3.04 5.85 -0.01 -0.45 115.31 123.42 1djx h LEU 233 Ca 0.18 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1djx h LEU 233 Cb 0.31 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1djx h LEU 233 CO -0.00 0.29 0.46 0.58 -0.34 0.00 0.00 178.44 179.44 1djx h VAL 234 N 0.01 1.18 -0.58 1.05 2.07 -0.09 0.13 116.25 120.02 1djx h VAL 234 Ca 0.04 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1djx h VAL 234 Cb 0.19 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 1djx h VAL 234 CO -0.00 0.17 0.26 0.74 0.02 0.00 0.00 177.57 178.76 1djx h THR 235 N 0.95 1.22 -0.40 2.57 2.02 -0.54 -2.09 112.91 116.63 1djx h THR 235 Ca 0.26 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1djx h THR 235 Cb -0.11 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1djx h THR 235 CO -0.05 0.25 0.23 0.15 0.37 0.00 0.00 175.52 176.46 1djx h PHE 236 N 0.79 0.54 -0.61 3.16 3.57 0.55 0.37 116.94 125.31 1djx h PHE 236 Ca 0.20 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.74 1djx h PHE 236 Cb 0.15 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 1djx h PHE 236 CO 0.00 0.41 0.41 -0.07 -2.23 0.00 0.00 178.31 176.83 1djx h LEU 237 N 0.52 0.55 0.00 0.59 3.38 -0.52 0.19 115.31 120.01 1djx h LEU 237 Ca 0.14 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1djx h LEU 237 Cb 0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1djx h LEU 237 CO -0.02 0.36 -0.46 -0.61 0.09 0.00 0.00 178.44 177.79 1djx h GLN 238 N 0.63 0.00 -0.01 1.13 5.75 -1.02 0.86 115.11 122.44 1djx h GLN 238 Ca 0.26 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.76 1djx h GLN 238 Cb 0.23 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.78 1djx h GLN 238 CO -0.08 0.33 -0.00 1.25 -2.65 0.00 0.00 178.83 177.68 1djx h HIS 239 N -1.00 0.03 0.00 3.99 2.76 -0.23 -2.81 115.15 117.89 1djx h HIS 239 Ca -0.07 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.07 1djx h HIS 239 Cb 0.60 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.55 1djx h HIS 239 CO -0.03 0.40 -0.44 1.96 -1.30 0.00 0.00 177.93 178.52 1djx h GLN 240 N -0.34 0.00 0.00 5.26 1.08 -0.85 -3.39 115.11 116.87 1djx h GLN 240 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1djx h GLN 240 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1djx h GLN 240 CO 0.00 0.15 0.00 1.04 -0.95 0.00 0.00 178.83 179.08 1djx n GLN 241 N -4.64 0.36 -4.45 1.46 1.13 -0.39 -3.19 117.38 107.66 1djx n GLN 241 Ca -0.08 0.05 -0.40 0.00 -1.94 0.00 0.00 57.00 54.63 1djx n GLN 241 Cb 0.25 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.03 1djx n GLN 241 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1djx n ARG 242 N -1.29 -1.18 -2.33 -1.09 1.74 -0.27 -4.28 116.66 107.95 1djx n ARG 242 Ca 0.12 0.17 -0.40 0.00 -0.77 0.00 0.00 57.85 56.98 1djx n ARG 242 Cb 0.20 -4.58 -0.03 0.00 -1.02 0.00 0.00 32.46 27.04 1djx n ARG 242 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1djx s GLU 243 N -7.21 4.37 0.12 5.56 0.41 0.28 -4.91 118.70 117.32 1djx s GLU 243 Ca 0.66 1.91 0.18 0.00 -0.41 0.00 0.00 54.97 57.31 1djx s GLU 243 Cb -0.38 -2.97 -0.08 0.00 -1.78 0.00 0.00 34.13 28.92 1djx s GLU 243 CO 1.01 -0.07 0.93 1.49 -0.49 0.00 0.00 175.26 178.12 1djx h GLU 244 N 3.28 0.00 -0.71 1.61 4.81 -1.89 -3.21 114.58 118.47 1djx h GLU 244 Ca -0.48 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 1djx h GLU 244 Cb 1.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1djx h GLU 244 CO 0.65 0.21 0.01 0.39 -0.73 0.00 0.00 179.01 179.54 1djx n GLU 245 N -2.85 3.73 -1.68 1.92 1.02 -1.26 -4.94 120.64 116.58 1djx n GLU 245 Ca -0.06 -2.23 -0.42 0.00 -0.02 0.00 0.00 57.16 54.42 1djx n GLU 245 Cb 0.75 -2.04 -0.03 0.00 -0.02 0.00 0.00 31.44 30.10 1djx n GLU 245 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1djx n ALA 246 N 0.42 2.08 0.00 0.62 0.00 -1.21 -4.49 120.51 117.92 1djx n ALA 246 Ca 0.20 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1djx n ALA 246 Cb 0.94 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1djx n ALA 246 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1djx n GLY 247 N 4.33 -0.14 0.31 0.00 0.00 -1.26 -5.00 105.19 103.43 1djx n GLY 247 Ca 0.18 -0.96 0.07 0.00 0.00 0.00 0.00 46.02 45.32 1djx n GLY 247 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1djx h PRO 248 N 0.00 0.60 -0.20 1.61 0.11 -1.91 -0.43 132.00 131.78 1djx h PRO 248 Ca 0.00 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.10 1djx h PRO 248 Cb 0.00 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 30.95 1djx h PRO 248 CO 0.00 0.40 0.03 0.00 -0.21 0.00 0.00 178.00 178.22 1djx h ALA 249 N 1.56 0.19 0.17 -0.75 0.00 -1.95 0.53 119.26 119.02 1djx h ALA 249 Ca 0.47 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 1djx h ALA 249 Cb 0.66 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1djx h ALA 249 CO -0.37 -0.40 -0.08 1.25 0.00 0.00 0.00 179.25 179.65 1djx h LEU 250 N 0.10 -0.20 -0.60 0.00 5.85 -1.61 -1.50 115.31 117.35 1djx h LEU 250 Ca 0.09 -0.18 0.12 0.00 0.84 0.00 0.00 57.88 58.76 1djx h LEU 250 Cb 0.09 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.08 1djx h LEU 250 CO -0.13 0.07 0.05 0.00 -0.34 0.00 0.00 178.44 178.09 1djx h ALA 251 N 0.31 0.64 -0.54 1.25 0.00 -0.80 0.88 119.26 121.00 1djx h ALA 251 Ca -0.02 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1djx h ALA 251 Cb 0.36 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1djx h ALA 251 CO 0.04 -0.37 0.05 -0.07 0.00 0.00 0.00 179.25 178.90 1djx h LEU 252 N 0.16 0.84 -0.71 0.00 3.38 0.18 -0.48 115.31 118.69 1djx h LEU 252 Ca 0.32 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 1djx h LEU 252 Cb 0.50 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1djx h LEU 252 CO -0.48 0.88 -0.59 0.77 0.09 0.00 0.00 178.44 179.11 1djx h SER 253 N 0.83 0.21 -0.30 -0.43 4.64 -0.14 0.57 113.55 118.93 1djx h SER 253 Ca 0.16 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 1djx h SER 253 Cb 0.43 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1djx h SER 253 CO 0.01 0.75 0.07 -0.07 -0.87 0.00 0.00 176.83 176.72 1djx h LEU 254 N 0.14 0.46 -0.11 5.97 3.38 -0.11 -0.41 115.31 124.63 1djx h LEU 254 Ca -0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1djx h LEU 254 Cb 1.08 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1djx h LEU 254 CO 0.09 0.58 0.06 0.40 0.09 0.00 0.00 178.44 179.66 1djx h ILE 255 N 0.32 1.08 -0.70 1.22 2.04 -0.98 0.32 117.51 120.82 1djx h ILE 255 Ca 0.09 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.78 1djx h ILE 255 Cb 0.30 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 1djx h ILE 255 CO 0.00 0.07 0.41 -0.33 0.00 0.00 0.00 178.15 178.30 1djx h GLU 256 N 0.10 0.73 -0.13 2.37 5.08 -0.68 -0.15 114.58 121.90 1djx h GLU 256 Ca 0.04 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1djx h GLU 256 Cb 0.06 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.16 1djx h GLU 256 CO -0.01 0.49 -0.62 -0.09 -1.00 0.00 0.00 179.01 177.78 1djx h ARG 257 N 0.76 0.65 0.00 2.33 2.43 -0.71 -3.40 114.38 116.44 1djx h ARG 257 Ca 0.31 -0.53 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1djx h ARG 257 Cb 0.16 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1djx h ARG 257 CO -0.17 1.14 -0.85 0.66 -1.51 0.00 0.00 179.97 179.24 1djx n TYR 258 N -4.10 0.00 -2.26 2.20 4.01 0.11 -4.98 117.16 112.14 1djx n TYR 258 Ca -0.08 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.24 1djx n TYR 258 Cb 0.66 -0.09 -0.02 0.00 -0.31 0.00 0.00 39.34 39.58 1djx n TYR 258 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1djx s GLU 259 N -2.18 4.21 0.08 -0.72 2.56 -0.08 -4.47 118.70 118.09 1djx s GLU 259 Ca 0.00 1.87 -0.08 0.00 0.00 0.00 0.00 54.97 56.76 1djx s GLU 259 Cb 0.06 -3.85 -0.26 0.00 2.00 0.00 0.00 34.13 32.08 1djx s GLU 259 CO 0.37 -0.77 1.15 -1.00 -0.56 0.00 0.00 175.26 174.45 1djx h PRO 260 N 8.75 0.41 -6.31 4.30 0.13 -1.90 -3.46 132.00 133.92 1djx h PRO 260 Ca -0.31 -0.61 -0.55 0.00 -0.87 0.00 0.00 66.00 63.66 1djx h PRO 260 Cb 1.13 0.21 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1djx h PRO 260 CO 0.96 1.26 0.95 0.45 -0.23 0.00 0.00 178.00 181.40 1djx s SER 261 N -7.26 6.77 0.23 1.44 0.15 -1.26 -4.89 113.70 108.87 1djx s SER 261 Ca -0.06 2.14 -0.04 0.00 0.70 0.00 0.00 55.95 58.69 1djx s SER 261 Cb 0.07 -2.55 0.24 0.00 -1.71 0.00 0.00 66.02 62.07 1djx s SER 261 CO 0.90 -0.82 1.72 -0.33 1.20 0.00 0.00 173.24 175.91 1djx h GLU 262 N 8.53 0.89 0.69 5.44 4.39 -1.99 0.78 114.58 133.32 1djx h GLU 262 Ca -0.37 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.04 1djx h GLU 262 Cb 1.17 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1djx h GLU 262 CO 0.93 0.89 -0.34 1.15 -1.16 0.00 0.00 179.01 180.48 1djx h THR 263 N 0.83 0.00 -0.95 1.13 2.02 -1.99 -1.81 112.91 112.14 1djx h THR 263 Ca 0.16 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.46 1djx h THR 263 Cb 0.49 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.82 1djx h THR 263 CO 0.02 0.00 0.57 0.00 0.37 0.00 0.00 175.52 176.48 1djx h ALA 264 N -1.55 1.43 0.55 6.16 0.00 -1.81 -0.91 119.26 123.12 1djx h ALA 264 Ca -0.10 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1djx h ALA 264 Cb 0.72 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1djx h ALA 264 CO 0.15 0.12 -0.44 -0.22 0.00 0.00 0.00 179.25 178.86 1djx h LYS 265 N 0.87 -0.93 -0.91 0.00 3.64 -0.74 0.46 116.57 118.97 1djx h LYS 265 Ca 0.48 0.06 0.13 0.00 -1.27 0.00 0.00 60.65 60.06 1djx h LYS 265 Cb 0.54 0.21 -0.09 0.00 -0.41 0.00 0.00 32.23 32.49 1djx h LYS 265 CO -0.29 -0.62 0.53 0.00 -2.27 0.00 0.00 179.45 176.80 1djx h ALA 266 N -1.11 1.38 -0.14 5.00 0.00 -1.00 -0.15 119.26 123.24 1djx h ALA 266 Ca -0.07 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1djx h ALA 266 Cb 0.81 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1djx h ALA 266 CO 0.00 0.07 0.00 1.04 0.00 0.00 0.00 179.25 180.36 1djx n GLN 267 N -4.74 1.74 -3.65 0.00 6.02 -0.38 -4.89 117.38 111.48 1djx n GLN 267 Ca 0.18 -0.68 -0.21 0.00 -0.01 0.00 0.00 57.00 56.27 1djx n GLN 267 Cb 0.38 -1.52 0.05 0.00 1.02 0.00 0.00 30.24 30.17 1djx n GLN 267 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1djx n ARG 268 N 0.10 -5.36 -4.17 -1.09 1.74 -0.07 -4.98 116.66 102.83 1djx n ARG 268 Ca 0.06 0.67 -0.11 0.00 -0.77 0.00 0.00 57.85 57.71 1djx n ARG 268 Cb 0.37 -5.35 -0.10 0.00 -1.02 0.00 0.00 32.46 26.36 1djx n ARG 268 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1djx s GLN 269 N -5.88 0.83 -0.10 5.56 -0.21 0.15 -3.40 119.66 116.61 1djx s GLN 269 Ca 0.04 -1.34 0.03 0.00 0.02 0.00 0.00 55.36 54.12 1djx s GLN 269 Cb -0.02 -0.19 0.01 0.00 1.00 0.00 0.00 33.01 33.80 1djx s GLN 269 CO 0.79 -0.02 -0.21 1.41 -2.12 0.00 0.00 175.29 175.14 1djx s MET 270 N -3.84 2.77 0.72 2.91 -2.45 0.14 -3.87 119.30 115.69 1djx s MET 270 Ca 0.12 -0.78 -0.04 0.00 -1.25 0.00 0.00 55.69 53.74 1djx s MET 270 Cb 0.05 -2.16 0.11 0.00 1.25 0.00 0.00 34.83 34.08 1djx s MET 270 CO -0.05 0.10 1.01 0.95 1.05 0.00 0.00 175.02 178.08 1djx s THR 271 N 0.55 2.23 0.32 10.11 -4.23 -1.26 -0.11 115.64 123.25 1djx s THR 271 Ca -0.15 -0.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 1djx s THR 271 Cb -0.17 -2.78 0.24 0.00 1.34 0.00 0.00 72.50 71.13 1djx s THR 271 CO 0.05 0.00 1.96 0.50 -0.54 0.00 0.00 174.62 176.59 1djx h LYS 272 N -0.61 0.90 -0.55 3.99 3.64 -1.99 0.56 116.57 122.51 1djx h LYS 272 Ca -0.40 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 58.86 1djx h LYS 272 Cb 1.28 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 1djx h LYS 272 CO 0.46 0.63 0.16 -0.44 -2.27 0.00 0.00 179.45 178.00 1djx h ASP 273 N 0.92 0.80 -0.05 4.20 3.32 -1.98 -0.14 116.42 123.49 1djx h ASP 273 Ca 0.24 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1djx h ASP 273 Cb -0.03 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1djx h ASP 273 CO -0.04 0.80 -0.15 1.23 -1.72 0.00 0.00 179.24 179.36 1djx h GLY 274 N 0.76 0.41 0.94 2.75 0.00 -1.62 -0.54 103.07 105.77 1djx h GLY 274 Ca 0.18 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 1djx h GLY 274 CO -0.00 0.26 -0.00 -2.75 0.00 0.00 0.00 176.54 174.04 1djx h PHE 275 N 0.35 -0.00 0.08 5.60 3.57 0.06 -0.53 116.94 126.07 1djx h PHE 275 Ca 0.07 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1djx h PHE 275 Cb 0.47 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1djx h PHE 275 CO 0.01 0.05 -0.04 1.25 -2.23 0.00 0.00 178.31 177.36 1djx h LEU 276 N -0.06 -0.09 -1.11 0.59 5.85 -0.71 -1.25 115.31 118.53 1djx h LEU 276 Ca -0.00 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.82 1djx h LEU 276 Cb 0.06 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.04 1djx h LEU 276 CO 0.00 -0.06 0.61 0.24 -0.34 0.00 0.00 178.44 178.89 1djx h MET 277 N -0.12 0.93 -0.40 1.25 2.86 -0.90 0.15 114.93 118.71 1djx h MET 277 Ca -0.01 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 1djx h MET 277 Cb 0.09 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 1djx h MET 277 CO 0.02 0.62 -0.03 -0.92 1.06 0.00 0.00 176.91 177.65 1djx h TYR 278 N 0.96 0.81 -0.07 -0.22 3.20 -0.77 -2.02 116.97 118.85 1djx h TYR 278 Ca 0.45 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 62.14 1djx h TYR 278 Cb 0.42 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1djx h TYR 278 CO -0.00 0.83 -0.07 -0.07 -1.64 0.00 0.00 178.16 177.21 1djx h LEU 279 N 0.55 0.09 -0.67 2.82 3.38 0.18 -1.78 115.31 119.89 1djx h LEU 279 Ca 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1djx h LEU 279 Cb 0.53 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1djx h LEU 279 CO 0.03 0.18 -0.26 0.18 0.09 0.00 0.00 178.44 178.66 1djx n LEU 280 N -4.40 1.31 0.00 1.67 4.77 0.34 -4.02 117.00 116.66 1djx n LEU 280 Ca -0.02 -0.40 -0.22 0.00 -0.03 0.00 0.00 56.01 55.35 1djx n LEU 280 Cb 0.18 -0.08 0.14 0.00 -2.33 0.00 0.00 43.42 41.32 1djx n LEU 280 CO 0.36 0.24 0.60 -1.54 -1.33 0.00 0.00 177.39 175.72 1djx n SER 281 N -0.40 0.58 0.31 -1.43 3.41 -0.70 -4.87 113.62 110.51 1djx n SER 281 Ca 0.12 -1.66 0.18 0.00 -0.26 0.00 0.00 58.87 57.25 1djx n SER 281 Cb 0.38 -0.69 0.99 0.00 -0.26 0.00 0.00 64.21 64.62 1djx n SER 281 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1djx h ALA 282 N -1.23 1.25 0.00 7.33 0.00 -1.90 0.75 119.26 125.46 1djx h ALA 282 Ca -0.32 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 1djx h ALA 282 Cb 1.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1djx h ALA 282 CO 0.27 0.03 -0.80 -0.44 0.00 0.00 0.00 179.25 178.31 1djx h ASP 283 N 0.00 0.00 0.02 0.00 3.32 -1.92 -3.21 116.42 114.62 1djx h ASP 283 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1djx h ASP 283 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1djx h ASP 283 CO 0.00 0.52 -0.07 0.61 -1.72 0.00 0.00 179.24 178.58 1djx n GLY 284 N 1.28 0.11 3.72 2.75 0.00 0.16 -4.93 105.19 108.27 1djx n GLY 284 Ca -0.02 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1djx n GLY 284 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1djx s ASN 285 N -2.11 6.78 0.64 1.61 3.84 -0.60 -1.66 114.94 123.44 1djx s ASN 285 Ca 0.33 2.40 0.41 0.00 0.21 0.00 0.00 52.86 56.20 1djx s ASN 285 Cb 0.20 -2.59 2.20 0.00 -0.55 0.00 0.00 41.25 40.51 1djx s ASN 285 CO 0.37 -0.67 2.31 0.00 -2.79 0.00 0.00 177.10 176.32 1djx h ALA 286 N 6.57 1.09 -2.37 1.71 0.00 -1.69 -3.37 119.26 121.20 1djx h ALA 286 Ca -0.43 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 53.82 1djx h ALA 286 Cb 1.21 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.84 1djx h ALA 286 CO 0.86 0.01 -0.06 0.12 0.00 0.00 0.00 179.25 180.18 1djx s PHE 287 N -4.18 3.15 -0.45 0.00 2.19 -1.26 -0.82 117.98 116.61 1djx s PHE 287 Ca -0.04 -0.01 -0.42 0.00 0.33 0.00 0.00 56.93 56.78 1djx s PHE 287 Cb 0.13 -3.01 -0.17 0.00 -1.31 0.00 0.00 43.02 38.66 1djx s PHE 287 CO 0.45 -0.65 2.01 0.45 1.83 0.00 0.00 175.22 179.31 1djx n SER 288 N 5.82 1.27 -0.07 6.13 2.88 0.49 -4.82 113.62 125.31 1djx n SER 288 Ca -0.05 0.76 0.11 0.00 -1.33 0.00 0.00 58.87 58.36 1djx n SER 288 Cb 0.48 -0.99 0.49 0.00 -0.75 0.00 0.00 64.21 63.44 1djx n SER 288 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1djx h LEU 289 N 8.74 0.39 -1.66 2.46 5.85 -1.83 -0.17 115.31 129.08 1djx h LEU 289 Ca -0.23 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 1djx h LEU 289 Cb 1.38 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 1djx h LEU 289 CO 1.04 0.24 -0.17 0.00 -0.34 0.00 0.00 178.44 179.22 1djx h ALA 290 N 1.70 1.72 -0.01 1.25 0.00 -1.92 -1.66 119.26 120.34 1djx h ALA 290 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1djx h ALA 290 Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1djx h ALA 290 CO -0.07 0.21 -0.06 0.72 0.00 0.00 0.00 179.25 180.05 1djx n HIS 291 N -4.34 0.00 0.48 0.00 8.25 -0.09 -3.80 115.22 115.73 1djx n HIS 291 Ca -0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.46 1djx n HIS 291 Cb 0.23 -0.04 0.14 0.00 1.12 0.00 0.00 29.99 31.44 1djx n HIS 291 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1djx n ARG 292 N -0.24 2.24 -4.07 -0.41 1.74 -0.62 -1.67 116.66 113.62 1djx n ARG 292 Ca 0.18 -1.08 -0.08 0.00 -0.77 0.00 0.00 57.85 56.11 1djx n ARG 292 Cb 0.32 -1.67 -0.10 0.00 -1.02 0.00 0.00 32.46 29.98 1djx n ARG 292 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1djx s ARG 293 N -1.62 0.55 -0.11 5.56 1.70 -1.25 -4.23 118.95 119.55 1djx s ARG 293 Ca 0.19 -1.08 -0.29 0.00 -0.47 0.00 0.00 55.73 54.07 1djx s ARG 293 Cb 0.14 0.17 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 1djx s ARG 293 CO 0.07 -0.09 1.78 0.08 -1.08 0.00 0.00 175.30 176.06 1djx s VAL 294 N -3.34 3.42 0.00 4.99 1.01 -1.25 -2.09 120.40 123.14 1djx s VAL 294 Ca 0.02 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1djx s VAL 294 Cb 0.04 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1djx s VAL 294 CO -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 175.10 174.91 1djx n TYR 295 N 8.20 0.00 -2.01 5.22 4.11 -1.26 -4.92 117.16 126.50 1djx n TYR 295 Ca 0.20 0.00 -0.28 0.00 -0.00 0.00 0.00 57.90 57.82 1djx n TYR 295 Cb 0.43 0.00 0.11 0.00 -0.00 0.00 0.00 39.34 39.89 1djx n TYR 295 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1djx s GLN 296 N -0.41 1.62 -0.59 -3.48 -0.21 -1.26 -4.97 119.66 110.36 1djx s GLN 296 Ca 0.00 -0.18 -0.28 0.00 0.02 0.00 0.00 55.36 54.93 1djx s GLN 296 Cb 0.00 -1.99 0.02 0.00 1.00 0.00 0.00 33.01 32.04 1djx s GLN 296 CO 0.00 -1.75 1.40 0.34 -2.12 0.00 0.00 175.29 173.16 1djx s ASP 297 N -4.66 6.11 -0.22 5.90 -1.08 -1.26 -4.88 116.67 116.57 1djx s ASP 297 Ca 0.65 0.17 0.06 0.00 -0.52 0.00 0.00 52.55 52.92 1djx s ASP 297 Cb -0.09 -2.55 0.51 0.00 -1.46 0.00 0.00 42.92 39.33 1djx s ASP 297 CO 0.49 -1.75 1.46 0.23 0.52 0.00 0.00 175.17 176.12 1djx n MET 298 N 8.77 2.85 -0.13 4.34 2.81 -1.26 -4.26 117.12 130.24 1djx n MET 298 Ca 0.11 -2.07 0.05 0.00 -1.81 0.00 0.00 57.70 53.98 1djx n MET 298 Cb 0.49 -1.92 0.12 0.00 -0.71 0.00 0.00 33.22 31.21 1djx n MET 298 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1djx n ASP 299 N -0.02 2.67 -4.96 7.83 8.00 -1.26 -1.64 116.55 127.18 1djx n ASP 299 Ca 0.28 -1.89 -0.23 0.00 0.71 0.00 0.00 54.79 53.66 1djx n ASP 299 Cb 1.06 -0.18 0.02 0.00 -0.02 0.00 0.00 41.12 42.01 1djx n ASP 299 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1djx s GLN 300 N -0.97 2.88 0.47 -1.24 -0.21 -1.26 -4.69 119.66 114.63 1djx s GLN 300 Ca 0.20 -0.53 -0.24 0.00 0.02 0.00 0.00 55.36 54.80 1djx s GLN 300 Cb 0.11 -2.50 -0.07 0.00 1.00 0.00 0.00 33.01 31.54 1djx s GLN 300 CO 0.14 -0.46 1.36 -2.14 -2.12 0.00 0.00 175.29 172.07 1djx s PRO 301 N -4.67 3.59 0.38 2.91 0.02 -1.26 -3.69 135.00 132.28 1djx s PRO 301 Ca 0.52 2.26 0.23 0.00 0.02 0.00 0.00 61.00 64.02 1djx s PRO 301 Cb -0.10 -2.54 1.34 0.00 0.02 0.00 0.00 34.50 33.22 1djx s PRO 301 CO 0.39 -0.84 1.60 -0.07 -0.33 0.00 0.00 177.00 177.75 1djx h LEU 302 N 2.13 0.32 0.00 -5.54 3.38 -1.43 0.26 115.31 114.42 1djx h LEU 302 Ca -0.50 0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1djx h LEU 302 Cb 1.27 0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1djx h LEU 302 CO 0.60 -0.34 0.00 -1.54 0.09 0.00 0.00 178.44 177.25 1djx n SER 303 N -5.09 0.00 -0.80 -0.43 3.41 -1.26 -1.81 113.62 107.65 1djx n SER 303 Ca 0.37 0.34 0.12 0.00 -0.26 0.00 0.00 58.87 59.45 1djx n SER 303 Cb 1.30 -0.37 0.29 0.00 -0.26 0.00 0.00 64.21 65.17 1djx n SER 303 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1djx n HIS 304 N -1.37 0.13 -4.34 7.33 8.25 0.90 -4.71 115.22 121.41 1djx n HIS 304 Ca 0.01 -0.07 -0.25 0.00 -0.26 0.00 0.00 57.72 57.15 1djx n HIS 304 Cb 0.02 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.01 1djx n HIS 304 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1djx s TYR 305 N -1.87 2.01 0.25 4.41 1.51 -0.75 -0.11 117.35 122.80 1djx s TYR 305 Ca 0.34 -0.41 -0.23 0.00 -1.01 0.00 0.00 57.07 55.76 1djx s TYR 305 Cb 0.20 -1.07 -0.09 0.00 -0.11 0.00 0.00 41.96 40.90 1djx s TYR 305 CO 0.31 0.31 0.81 -0.51 -1.11 0.00 0.00 175.55 175.36 1djx s LEU 306 N -2.19 4.40 -0.09 -1.29 1.43 0.38 -4.68 118.68 116.63 1djx s LEU 306 Ca 0.12 1.62 0.04 0.00 -1.03 0.00 0.00 54.13 54.87 1djx s LEU 306 Cb -0.09 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1djx s LEU 306 CO 0.06 0.03 -0.21 -0.69 0.23 0.00 0.00 176.35 175.77 1djx s VAL 307 N -1.48 1.85 -0.10 -1.59 1.01 0.32 -1.64 120.40 118.77 1djx s VAL 307 Ca 0.44 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 1djx s VAL 307 Cb -0.19 -1.61 -0.06 0.00 0.00 0.00 0.00 36.38 34.53 1djx s VAL 307 CO 0.23 0.51 1.83 -0.55 0.00 0.00 0.00 175.10 177.13 1djx s SER 308 N 0.38 6.31 0.03 3.32 0.15 -0.47 -4.29 113.70 119.11 1djx s SER 308 Ca -0.17 2.13 0.03 0.00 0.70 0.00 0.00 55.95 58.63 1djx s SER 308 Cb -0.17 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.59 1djx s SER 308 CO 0.07 -1.24 -0.08 -0.44 1.20 0.00 0.00 173.24 172.75 1djx s SER 309 N 4.77 0.94 0.22 5.45 0.01 -1.26 -0.32 113.70 123.52 1djx s SER 309 Ca 0.82 -0.37 0.10 0.00 1.31 0.00 0.00 55.95 57.81 1djx s SER 309 Cb -0.34 -0.03 -0.05 0.00 0.21 0.00 0.00 66.02 65.82 1djx s SER 309 CO 0.34 -0.06 -0.19 -0.94 0.41 0.00 0.00 173.24 172.80 1djx s SER 310 N -0.98 3.14 -0.12 2.44 1.04 -0.35 -2.31 113.70 116.56 1djx s SER 310 Ca -0.03 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.44 1djx s SER 310 Cb -0.07 -0.22 -0.02 0.00 0.10 0.00 0.00 66.02 65.81 1djx s SER 310 CO 0.00 -0.01 -0.13 -2.28 0.98 0.00 0.00 173.24 171.81 1djx s HIS 311 N -2.36 2.81 -1.31 5.02 5.04 0.16 -4.24 115.29 120.40 1djx s HIS 311 Ca 0.24 -0.53 -0.22 0.00 -1.54 0.00 0.00 55.06 53.01 1djx s HIS 311 Cb -0.05 -1.81 0.03 0.00 0.04 0.00 0.00 32.58 30.79 1djx s HIS 311 CO 0.10 -0.12 0.49 0.09 -2.34 0.00 0.00 174.74 172.96 1djx n ASN 312 N 3.28 -2.59 -0.29 9.88 3.02 -1.26 -4.56 115.26 122.73 1djx n ASN 312 Ca -0.18 -1.25 0.34 0.00 -0.03 0.00 0.00 54.58 53.46 1djx n ASN 312 Cb 0.53 -1.91 0.74 0.00 -0.61 0.00 0.00 39.78 38.52 1djx n ASN 312 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1djx h THR 313 N -2.29 0.37 0.00 3.41 2.02 -1.82 -0.89 112.91 113.70 1djx h THR 313 Ca -0.69 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.49 1djx h THR 313 Cb 1.40 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1djx h THR 313 CO 0.57 0.00 0.00 0.10 0.37 0.00 0.00 175.52 176.56 1djx h TYR 314 N 0.00 0.00 -3.49 3.16 -0.00 -1.86 -3.36 116.97 111.43 1djx h TYR 314 Ca 0.54 0.00 -0.53 0.00 -0.00 0.00 0.00 58.73 58.73 1djx h TYR 314 Cb 2.24 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 38.94 1djx h TYR 314 CO 0.00 0.00 0.15 -0.51 -0.00 0.00 0.00 178.16 177.80 1djx s LEU 315 N -5.17 4.58 -0.14 0.10 1.43 -0.34 -0.57 118.68 118.57 1djx s LEU 315 Ca 0.01 1.59 0.17 0.00 -1.03 0.00 0.00 54.13 54.87 1djx s LEU 315 Cb 0.09 -3.25 -0.24 0.00 0.03 0.00 0.00 46.19 42.81 1djx s LEU 315 CO 0.40 0.21 0.16 0.18 0.23 0.00 0.00 176.35 177.54 1djx n LEU 316 N 1.58 0.00 0.00 1.79 4.77 -0.50 -4.74 117.00 119.90 1djx n LEU 316 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1djx n LEU 316 Cb 0.49 0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 1djx n LEU 316 CO 0.45 0.33 0.00 -0.62 -1.33 0.00 0.00 177.39 176.22 1djx n GLU 317 N -2.54 0.00 -1.40 3.23 1.02 -1.25 -4.88 120.64 114.82 1djx n GLU 317 Ca -0.23 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.62 1djx n GLU 317 Cb 0.94 0.00 0.19 0.00 -0.02 0.00 0.00 31.44 32.55 1djx n GLU 317 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1djx s ASP 318 N 1.00 2.36 0.00 1.62 -4.77 -1.26 -4.71 116.67 110.91 1djx s ASP 318 Ca 0.00 0.73 0.27 0.00 -3.30 0.00 0.00 52.55 50.25 1djx s ASP 318 Cb 0.00 -1.10 0.80 0.00 -1.09 0.00 0.00 42.92 41.54 1djx s ASP 318 CO 0.00 -3.25 1.60 0.00 0.70 0.00 0.00 175.17 174.22 1djx n GLN 319 N -4.19 1.11 -0.05 2.11 1.13 -0.08 -4.07 117.38 113.34 1djx n GLN 319 Ca 0.10 -0.67 -0.07 0.00 -1.94 0.00 0.00 57.00 54.42 1djx n GLN 319 Cb 0.59 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 29.41 1djx n GLN 319 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1djx n LEU 320 N -0.36 2.96 0.00 1.08 4.77 -1.26 -4.78 117.00 119.41 1djx n LEU 320 Ca 0.14 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1djx n LEU 320 Cb 0.36 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1djx n LEU 320 CO 0.23 0.67 0.02 0.35 -1.33 0.00 0.00 177.39 177.33 1djx n THR 321 N -2.79 0.00 -1.27 -5.08 -2.24 -1.26 0.77 114.28 102.41 1djx n THR 321 Ca -0.18 -0.08 -0.29 0.00 -2.27 0.00 0.00 64.05 61.23 1djx n THR 321 Cb 0.69 1.48 0.17 0.00 -2.10 0.00 0.00 70.33 70.57 1djx n THR 321 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1djx s GLY 322 N -0.07 1.57 0.49 3.38 0.00 -1.26 -4.49 107.32 106.94 1djx s GLY 322 Ca 0.00 -0.47 -0.14 0.00 0.00 0.00 0.00 44.72 44.11 1djx s GLY 322 CO 0.00 0.16 0.92 2.56 0.00 0.00 0.00 173.10 176.73 1djx s PRO 323 N -5.08 3.85 0.18 2.90 0.04 -1.26 -2.16 135.00 133.46 1djx s PRO 323 Ca 0.65 0.76 0.09 0.00 0.04 0.00 0.00 61.00 62.54 1djx s PRO 323 Cb -0.17 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 1djx s PRO 323 CO 0.56 -0.22 -0.09 -1.12 0.04 0.00 0.00 177.00 176.17 1djx s SER 324 N -3.23 4.30 -0.18 6.66 0.01 -1.26 -1.41 113.70 118.59 1djx s SER 324 Ca 0.56 -0.56 -0.30 0.00 1.31 0.00 0.00 55.95 56.95 1djx s SER 324 Cb -0.10 -0.75 0.14 0.00 0.21 0.00 0.00 66.02 65.52 1djx s SER 324 CO 0.34 0.10 1.07 -0.55 0.41 0.00 0.00 173.24 174.60 1djx s SER 325 N -2.85 -0.30 0.51 2.44 0.15 0.27 -4.77 113.70 109.13 1djx s SER 325 Ca 0.25 0.32 0.19 0.00 0.70 0.00 0.00 55.95 57.42 1djx s SER 325 Cb -0.09 0.25 1.30 0.00 -1.71 0.00 0.00 66.02 65.78 1djx s SER 325 CO 0.16 -0.29 2.11 0.71 1.20 0.00 0.00 173.24 177.12 1djx h THR 326 N 2.45 0.91 -0.92 6.45 1.35 -1.95 -0.40 112.91 120.79 1djx h THR 326 Ca -0.16 -0.27 0.11 0.00 -0.55 0.00 0.00 66.41 65.53 1djx h THR 326 Cb 1.17 1.15 -0.07 0.00 -1.73 0.00 0.00 68.15 68.67 1djx h THR 326 CO 0.29 0.07 0.59 -0.08 -0.25 0.00 0.00 175.52 176.15 1djx h GLU 327 N 0.00 0.87 -0.32 4.72 4.57 -1.93 -0.18 114.58 122.30 1djx h GLU 327 Ca -0.00 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1djx h GLU 327 Cb 0.15 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 1djx h GLU 327 CO 0.01 0.57 0.20 0.00 -1.18 0.00 0.00 179.01 178.61 1djx h ALA 328 N 1.55 1.74 -0.13 2.92 0.00 -1.33 0.94 119.26 124.96 1djx h ALA 328 Ca 0.44 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 55.09 1djx h ALA 328 Cb 0.46 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1djx h ALA 328 CO -0.20 0.23 -0.80 1.88 0.00 0.00 0.00 179.25 180.36 1djx h TYR 329 N 0.44 1.06 -0.11 0.00 0.05 -1.13 -2.59 116.97 114.70 1djx h TYR 329 Ca 0.12 -0.48 -0.00 0.00 0.05 0.00 0.00 58.73 58.41 1djx h TYR 329 Cb -0.03 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 37.55 1djx h TYR 329 CO 0.00 1.32 0.05 0.82 -1.05 0.00 0.00 178.16 179.29 1djx h ILE 330 N 0.51 1.13 -0.24 -2.88 2.04 -0.61 -0.66 117.51 116.79 1djx h ILE 330 Ca -0.06 -0.38 0.06 0.00 1.00 0.00 0.00 64.86 65.47 1djx h ILE 330 Cb 1.43 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 38.65 1djx h ILE 330 CO 0.16 0.12 -0.12 0.03 0.00 0.00 0.00 178.15 178.34 1djx h ARG 331 N 0.03 -0.08 -0.75 2.37 3.08 -0.88 0.53 114.38 118.68 1djx h ARG 331 Ca 0.04 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1djx h ARG 331 Cb 0.14 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 1djx h ARG 331 CO -0.00 -0.05 0.48 0.00 -1.07 0.00 0.00 179.97 179.33 1djx h ALA 332 N 1.12 0.95 -0.56 0.04 0.00 -1.34 -0.05 119.26 119.43 1djx h ALA 332 Ca 0.13 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1djx h ALA 332 Cb 0.28 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1djx h ALA 332 CO -0.30 0.38 -0.01 -0.07 0.00 0.00 0.00 179.25 179.26 1djx h LEU 333 N 1.02 0.95 -1.62 0.00 3.38 -0.31 0.52 115.31 119.25 1djx h LEU 333 Ca 0.27 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1djx h LEU 333 Cb -0.09 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.40 1djx h LEU 333 CO -0.06 1.01 0.00 0.00 0.09 0.00 0.00 178.44 179.48 1djx n LYS 335 N -3.08 1.92 -0.63 0.00 5.02 -0.13 -4.87 118.16 116.38 1djx n LYS 335 Ca 0.00 -1.33 0.00 0.00 -2.02 0.00 0.00 58.31 54.96 1djx n LYS 335 Cb 0.28 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 1djx n LYS 335 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1djx n GLY 336 N 1.03 0.78 3.72 0.72 0.00 -0.45 -5.02 105.19 105.97 1djx n GLY 336 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1djx n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djx n ARG 338 N 1.78 1.04 -3.77 0.00 5.12 0.56 -4.60 116.66 116.80 1djx n ARG 338 Ca 0.09 0.04 -0.37 0.00 -1.93 0.00 0.00 57.85 55.68 1djx n ARG 338 Cb 0.35 -1.40 -0.13 0.00 -1.16 0.00 0.00 32.46 30.12 1djx n ARG 338 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1djx s LEU 340 N 1.42 3.78 -0.14 0.00 1.43 0.51 -1.21 118.68 124.46 1djx s LEU 340 Ca -0.01 -0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 1djx s LEU 340 Cb -0.19 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.55 1djx s LEU 340 CO 0.02 0.16 -0.08 -0.70 0.23 0.00 0.00 176.35 175.98 1djx s GLU 341 N -2.44 3.50 -0.18 1.70 2.12 -1.26 0.13 118.70 122.26 1djx s GLU 341 Ca 0.29 -0.60 0.00 0.00 0.36 0.00 0.00 54.97 55.02 1djx s GLU 341 Cb -0.12 -2.76 0.04 0.00 0.26 0.00 0.00 34.13 31.55 1djx s GLU 341 CO 0.22 0.25 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.59 1djx s LEU 342 N 0.31 2.00 -0.54 2.70 1.02 0.11 -3.60 118.68 120.67 1djx s LEU 342 Ca -0.07 -0.79 -0.17 0.00 0.02 0.00 0.00 54.13 53.12 1djx s LEU 342 Cb -0.15 -1.11 0.11 0.00 0.02 0.00 0.00 46.19 45.06 1djx s LEU 342 CO 0.04 -0.16 0.56 -1.81 0.02 0.00 0.00 176.35 175.00 1djx s ASP 343 N 1.49 6.18 -0.17 2.29 1.11 -1.26 -0.59 116.67 125.73 1djx s ASP 343 Ca -0.00 -1.56 -0.18 0.00 0.18 0.00 0.00 52.55 50.98 1djx s ASP 343 Cb -0.16 -2.24 -0.04 0.00 1.07 0.00 0.00 42.92 41.56 1djx s ASP 343 CO -0.08 -0.91 0.51 0.00 1.18 0.00 0.00 175.17 175.87 1djx s TRP 345 N 1.24 1.18 0.27 0.00 0.52 -0.36 0.33 118.94 122.12 1djx s TRP 345 Ca 0.25 -0.67 -0.29 0.00 0.02 0.00 0.00 56.10 55.41 1djx s TRP 345 Cb -0.15 -0.62 -0.10 0.00 -1.15 0.00 0.00 33.47 31.44 1djx s TRP 345 CO 0.10 0.05 1.32 -0.51 0.02 0.00 0.00 176.95 177.93 1djx s ASP 346 N -2.66 6.82 0.36 2.95 1.11 -1.26 -0.52 116.67 123.47 1djx s ASP 346 Ca 0.09 2.57 0.05 0.00 0.18 0.00 0.00 52.55 55.45 1djx s ASP 346 Cb -0.02 -2.63 -0.07 0.00 1.07 0.00 0.00 42.92 41.27 1djx s ASP 346 CO 0.01 -0.54 0.03 -0.83 1.18 0.00 0.00 175.17 175.02 1djx s GLY 347 N -0.08 2.26 1.07 0.21 0.00 -1.07 -4.61 107.32 105.10 1djx s GLY 347 Ca 0.53 -2.17 -0.12 0.00 0.00 0.00 0.00 44.72 42.96 1djx s GLY 347 CO 0.46 -1.94 0.97 -1.05 0.00 0.00 0.00 173.10 171.53 1djx n PRO 348 N -0.81 -1.59 -1.69 2.90 -0.02 -1.26 -2.70 135.00 129.83 1djx n PRO 348 Ca -0.04 -0.42 -0.14 0.00 -2.02 0.00 0.00 63.50 60.89 1djx n PRO 348 Cb 0.67 -2.20 -0.04 0.00 -0.02 0.00 0.00 33.50 31.90 1djx n PRO 348 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1djx n ASN 349 N -4.31 -3.81 -1.92 2.55 5.15 -1.26 -1.31 115.26 110.35 1djx n ASN 349 Ca 0.06 0.29 -0.18 0.00 -0.60 0.00 0.00 54.58 54.16 1djx n ASN 349 Cb 0.54 -3.44 -0.02 0.00 -0.53 0.00 0.00 39.78 36.33 1djx n ASN 349 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1djx n GLN 350 N -2.18 -1.38 -4.01 1.20 -0.06 -1.10 -4.98 117.38 104.88 1djx n GLN 350 Ca -0.15 0.89 -0.34 0.00 -2.00 0.00 0.00 57.00 55.40 1djx n GLN 350 Cb 0.50 -5.33 -0.15 0.00 -4.06 0.00 0.00 30.24 21.20 1djx n GLN 350 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1djx s GLU 351 N -4.70 2.91 0.41 3.69 0.41 -0.43 -4.91 118.70 116.08 1djx s GLU 351 Ca 0.00 -0.91 -0.27 0.00 -0.41 0.00 0.00 54.97 53.38 1djx s GLU 351 Cb 0.00 -2.87 -0.10 0.00 -1.78 0.00 0.00 34.13 29.39 1djx s GLU 351 CO 0.00 -0.33 1.45 -2.30 -0.49 0.00 0.00 175.26 173.59 1djx n PRO 352 N 4.65 2.45 -4.31 0.39 -0.02 -1.26 -2.61 135.00 134.29 1djx n PRO 352 Ca -0.18 0.87 -0.26 0.00 -2.02 0.00 0.00 63.50 61.91 1djx n PRO 352 Cb 0.48 -2.63 -0.09 0.00 -0.02 0.00 0.00 33.50 31.24 1djx n PRO 352 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1djx s ILE 353 N -1.15 2.21 -0.03 4.25 -4.36 0.32 -1.11 121.20 121.33 1djx s ILE 353 Ca 0.57 -1.81 0.03 0.00 -0.26 0.00 0.00 60.65 59.18 1djx s ILE 353 Cb -0.47 -2.99 0.00 0.00 1.25 0.00 0.00 42.46 40.25 1djx s ILE 353 CO 0.61 -0.01 -0.13 -0.63 0.24 0.00 0.00 174.94 175.02 1djx s ILE 354 N -2.63 1.07 -0.02 8.37 1.01 0.90 -1.22 121.20 128.68 1djx s ILE 354 Ca 0.39 -0.52 -0.29 0.00 0.00 0.00 0.00 60.65 60.23 1djx s ILE 354 Cb 0.06 -0.94 0.11 0.00 0.01 0.00 0.00 42.46 41.70 1djx s ILE 354 CO 0.21 0.32 1.29 -0.72 0.00 0.00 0.00 174.94 176.04 1djx s TYR 355 N 0.15 -0.01 -0.53 3.97 1.13 -1.13 -1.87 117.35 119.05 1djx s TYR 355 Ca -0.04 -0.10 -0.24 0.00 -1.41 0.00 0.00 57.07 55.28 1djx s TYR 355 Cb -0.10 0.55 0.04 0.00 -1.10 0.00 0.00 41.96 41.35 1djx s TYR 355 CO 0.01 -0.26 0.93 -1.58 -2.51 0.00 0.00 175.55 172.13 1djx s HIS 356 N -2.20 2.83 0.06 -3.49 5.65 -1.26 -4.70 115.29 112.17 1djx s HIS 356 Ca 0.21 0.04 -0.37 0.00 0.25 0.00 0.00 55.06 55.19 1djx s HIS 356 Cb 0.02 -4.03 -0.18 0.00 -1.18 0.00 0.00 32.58 27.21 1djx s HIS 356 CO -0.02 -1.29 1.11 0.41 -0.65 0.00 0.00 174.74 174.30 1djx n GLY 357 N 5.09 -0.15 2.25 1.59 0.00 -1.26 -1.87 105.19 110.84 1djx n GLY 357 Ca 0.02 0.69 -0.12 0.00 0.00 0.00 0.00 46.02 46.61 1djx n GLY 357 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1djx n TYR 358 N 1.67 -0.49 -4.29 1.61 4.02 -1.26 -5.01 117.16 113.41 1djx n TYR 358 Ca 0.19 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.90 1djx n TYR 358 Cb 0.14 -2.68 -0.07 0.00 -0.02 0.00 0.00 39.34 36.71 1djx n TYR 358 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1djx n THR 359 N -3.79 0.00 -0.96 -0.72 -2.24 -0.78 -5.03 114.28 100.75 1djx n THR 359 Ca -0.14 -2.08 0.02 0.00 -2.27 0.00 0.00 64.05 59.58 1djx n THR 359 Cb 0.58 0.97 0.37 0.00 -2.10 0.00 0.00 70.33 70.15 1djx n THR 359 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1djx n PHE 360 N -0.61 2.26 -2.10 4.78 3.72 0.23 -4.93 117.46 120.83 1djx n PHE 360 Ca 0.04 -0.91 -0.40 0.00 -0.05 0.00 0.00 57.45 56.13 1djx n PHE 360 Cb 0.52 -0.59 -0.02 0.00 -0.94 0.00 0.00 39.48 38.46 1djx n PHE 360 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1djx s THR 361 N -2.86 2.70 1.02 4.37 -4.23 -1.06 -4.46 115.64 111.12 1djx s THR 361 Ca 0.55 0.67 -0.12 0.00 -1.18 0.00 0.00 61.69 61.61 1djx s THR 361 Cb 0.43 -3.41 0.18 0.00 1.34 0.00 0.00 72.50 71.03 1djx s THR 361 CO 0.15 0.14 0.91 -1.54 -0.54 0.00 0.00 174.62 173.74 1djx n SER 362 N 0.54 -0.88 -4.60 3.99 3.41 -0.92 -4.66 113.62 110.50 1djx n SER 362 Ca 0.01 0.18 -0.24 0.00 -0.26 0.00 0.00 58.87 58.56 1djx n SER 362 Cb 0.43 -1.33 -0.09 0.00 -0.26 0.00 0.00 64.21 62.96 1djx n SER 362 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1djx s LYS 363 N -4.33 2.01 0.24 4.33 1.02 -1.26 -4.04 119.74 117.71 1djx s LYS 363 Ca 0.65 -1.74 -0.10 0.00 0.02 0.00 0.00 55.97 54.80 1djx s LYS 363 Cb -0.23 -1.90 -0.01 0.00 -0.52 0.00 0.00 37.83 35.17 1djx s LYS 363 CO 0.62 0.19 0.41 0.96 -0.92 0.00 0.00 175.35 176.61 1djx s ILE 364 N -2.51 0.00 0.11 2.17 -4.36 -0.78 -4.88 121.20 110.96 1djx s ILE 364 Ca 0.33 -1.53 -0.17 0.00 -0.26 0.00 0.00 60.65 59.03 1djx s ILE 364 Cb -0.01 -2.27 -0.07 0.00 1.25 0.00 0.00 42.46 41.36 1djx s ILE 364 CO 0.18 0.00 0.57 -0.76 0.24 0.00 0.00 174.94 175.17 1djx s LEU 365 N -3.05 4.43 0.17 0.37 1.43 -1.26 -0.07 118.68 120.69 1djx s LEU 365 Ca 0.26 1.18 -0.15 0.00 -1.03 0.00 0.00 54.13 54.39 1djx s LEU 365 Cb 0.01 -3.10 0.06 0.00 0.03 0.00 0.00 46.19 43.19 1djx s LEU 365 CO 0.10 0.18 1.81 0.15 0.23 0.00 0.00 176.35 178.82 1djx h PHE 366 N 4.02 0.54 -0.46 0.29 3.57 -1.38 -0.79 116.94 122.73 1djx h PHE 366 Ca -0.49 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.00 1djx h PHE 366 Cb 1.20 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 1djx h PHE 366 CO 0.67 0.32 0.19 0.00 -2.23 0.00 0.00 178.31 177.25 1djx h ASP 368 N 0.60 0.96 -0.63 0.00 5.19 -1.85 -0.62 116.42 120.08 1djx h ASP 368 Ca 0.15 0.03 -0.07 0.00 -0.62 0.00 0.00 57.03 56.52 1djx h ASP 368 Cb 0.19 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.50 1djx h ASP 368 CO -0.01 0.56 0.13 0.58 -3.12 0.00 0.00 179.24 177.38 1djx h VAL 369 N 1.06 1.26 -0.31 -1.35 2.07 -0.09 -2.58 116.25 116.31 1djx h VAL 369 Ca 0.46 -0.98 -0.08 0.00 0.82 0.00 0.00 66.70 66.92 1djx h VAL 369 Cb 0.33 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1djx h VAL 369 CO -0.22 0.37 -0.16 -0.07 0.02 0.00 0.00 177.57 177.50 1djx h LEU 370 N 0.99 0.53 -0.27 2.57 3.38 0.41 -1.51 115.31 121.41 1djx h LEU 370 Ca 0.20 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1djx h LEU 370 Cb 0.39 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1djx h LEU 370 CO 0.01 0.72 0.01 0.03 0.09 0.00 0.00 178.44 179.29 1djx h ARG 371 N 0.49 0.47 -0.50 1.13 3.08 -1.09 0.10 114.38 118.06 1djx h ARG 371 Ca 0.08 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 60.01 1djx h ARG 371 Cb 0.57 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 1djx h ARG 371 CO 0.04 0.63 0.31 0.00 -1.07 0.00 0.00 179.97 179.87 1djx h ALA 372 N 0.83 0.64 -0.69 0.04 0.00 -1.33 0.19 119.26 118.94 1djx h ALA 372 Ca 0.08 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1djx h ALA 372 Cb 0.41 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1djx h ALA 372 CO 0.01 0.02 0.21 0.82 0.00 0.00 0.00 179.25 180.32 1djx h ILE 373 N 0.62 1.26 -0.51 0.00 2.04 -1.09 -1.23 117.51 118.59 1djx h ILE 373 Ca 0.20 -0.88 0.05 0.00 1.00 0.00 0.00 64.86 65.22 1djx h ILE 373 Cb -0.00 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 1djx h ILE 373 CO -0.08 0.34 0.25 -0.09 0.00 0.00 0.00 178.15 178.58 1djx h ARG 374 N 1.01 0.48 -0.06 2.37 2.43 0.29 0.28 114.38 121.18 1djx h ARG 374 Ca 0.22 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.24 1djx h ARG 374 Cb 0.30 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1djx h ARG 374 CO -0.01 0.32 -0.54 -0.44 -1.51 0.00 0.00 179.97 177.79 1djx h ASP 375 N 0.50 0.19 -0.01 -3.80 3.32 -0.12 -3.35 116.42 113.15 1djx h ASP 375 Ca 0.23 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1djx h ASP 375 Cb 0.15 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1djx h ASP 375 CO -0.17 0.69 -0.11 -1.22 -1.72 0.00 0.00 179.24 176.72 1djx n TYR 376 N -3.92 0.00 -0.33 4.55 4.02 -0.51 -4.70 117.16 116.27 1djx n TYR 376 Ca -0.02 0.00 0.22 0.00 -0.01 0.00 0.00 57.90 58.09 1djx n TYR 376 Cb 0.56 0.00 0.45 0.00 -0.02 0.00 0.00 39.34 40.33 1djx n TYR 376 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1djx h ALA 377 N 1.62 1.88 -0.06 -0.72 0.00 -0.60 -2.03 119.26 119.36 1djx h ALA 377 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1djx h ALA 377 Cb 0.33 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1djx h ALA 377 CO 0.00 -0.51 0.00 1.19 0.00 0.00 0.00 179.25 179.93 1djx n PHE 378 N -5.03 0.19 -0.13 0.00 3.72 -1.26 -4.64 117.46 110.32 1djx n PHE 378 Ca 0.30 -0.91 -0.09 0.00 -0.05 0.00 0.00 57.45 56.70 1djx n PHE 378 Cb 0.92 -0.17 -0.01 0.00 -0.94 0.00 0.00 39.48 39.29 1djx n PHE 378 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1djx h LYS 379 N 0.39 0.56 0.00 -1.08 3.64 -1.64 -3.20 116.57 115.23 1djx h LYS 379 Ca 0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1djx h LYS 379 Cb 1.03 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1djx h LYS 379 CO 0.04 0.49 -0.96 0.00 -2.27 0.00 0.00 179.45 176.75 1djx n ALA 380 N -2.27 2.83 -3.46 5.00 0.00 -1.26 -4.95 120.51 116.39 1djx n ALA 380 Ca -0.00 -0.29 -0.13 0.00 0.00 0.00 0.00 53.44 53.02 1djx n ALA 380 Cb 0.11 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 1djx n ALA 380 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1djx s SER 381 N -4.71 -0.56 0.00 0.00 0.15 -1.21 -4.66 113.70 102.71 1djx s SER 381 Ca 0.02 0.19 0.23 0.00 0.70 0.00 0.00 55.95 57.08 1djx s SER 381 Cb 0.12 0.54 0.07 0.00 -1.71 0.00 0.00 66.02 65.04 1djx s SER 381 CO 0.78 -0.81 1.12 -0.81 1.20 0.00 0.00 173.24 174.72 1djx n PRO 382 N -0.01 0.53 -2.14 5.44 -0.04 -1.26 -4.09 135.00 133.42 1djx n PRO 382 Ca -0.16 -0.41 -0.32 0.00 -0.04 0.00 0.00 63.50 62.57 1djx n PRO 382 Cb 0.62 -1.49 -0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1djx n PRO 382 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1djx s TYR 383 N -2.76 3.15 0.26 0.54 2.02 -1.26 -0.46 117.35 118.84 1djx s TYR 383 Ca 0.14 1.49 -0.30 0.00 -0.37 0.00 0.00 57.07 58.04 1djx s TYR 383 Cb 0.17 -2.93 -0.14 0.00 -0.40 0.00 0.00 41.96 38.66 1djx s TYR 383 CO 0.70 -0.88 1.11 -0.35 -1.57 0.00 0.00 175.55 174.56 1djx n PRO 384 N -1.93 1.44 -3.98 -1.71 -0.04 -1.25 -4.68 135.00 122.83 1djx n PRO 384 Ca 0.08 0.51 -0.36 0.00 -0.04 0.00 0.00 63.50 63.68 1djx n PRO 384 Cb 0.53 -1.95 -0.07 0.00 -0.04 0.00 0.00 33.50 31.97 1djx n PRO 384 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1djx s VAL 385 N -0.74 5.22 -0.11 0.52 1.01 -0.74 -4.84 120.40 120.72 1djx s VAL 385 Ca 0.63 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.74 1djx s VAL 385 Cb -0.72 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1djx s VAL 385 CO 0.57 0.60 -0.23 -0.63 0.00 0.00 0.00 175.10 175.41 1djx s ILE 386 N -0.85 2.12 -0.30 2.22 1.01 0.32 0.16 121.20 125.87 1djx s ILE 386 Ca 0.14 -0.99 -0.10 0.00 0.00 0.00 0.00 60.65 59.69 1djx s ILE 386 Cb -0.12 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 1djx s ILE 386 CO 0.03 0.55 0.17 -0.76 0.00 0.00 0.00 174.94 174.94 1djx s LEU 387 N 0.48 4.09 -0.42 2.97 1.43 0.43 -0.36 118.68 127.29 1djx s LEU 387 Ca -0.15 -0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 52.42 1djx s LEU 387 Cb -0.17 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.01 1djx s LEU 387 CO 0.06 -0.14 0.64 -0.55 0.23 0.00 0.00 176.35 176.58 1djx s SER 388 N 1.68 6.34 -0.23 2.29 0.15 0.35 -0.91 113.70 123.37 1djx s SER 388 Ca 0.06 -0.24 -0.14 0.00 0.70 0.00 0.00 55.95 56.33 1djx s SER 388 Cb -0.17 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.78 1djx s SER 388 CO 0.08 -0.74 0.32 -0.76 1.20 0.00 0.00 173.24 173.34 1djx s LEU 389 N 2.80 4.11 -0.42 3.45 1.43 -0.29 0.05 118.68 129.80 1djx s LEU 389 Ca 0.23 0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 53.59 1djx s LEU 389 Cb -0.14 -2.37 0.09 0.00 0.03 0.00 0.00 46.19 43.80 1djx s LEU 389 CO 0.18 -0.07 0.24 -0.70 0.23 0.00 0.00 176.35 176.23 1djx s GLU 390 N 1.46 2.42 -0.38 1.70 2.12 0.24 -4.59 118.70 121.67 1djx s GLU 390 Ca 0.15 -1.59 -0.18 0.00 0.36 0.00 0.00 54.97 53.71 1djx s GLU 390 Cb -0.15 -3.71 0.01 0.00 0.26 0.00 0.00 34.13 30.54 1djx s GLU 390 CO 0.08 -1.00 0.50 1.21 -0.54 0.00 0.00 175.26 175.51 1djx s ASN 391 N 2.08 6.28 -0.14 -1.70 2.47 -1.26 -0.64 114.94 122.02 1djx s ASN 391 Ca 0.04 -0.24 0.18 0.00 0.42 0.00 0.00 52.86 53.26 1djx s ASN 391 Cb -0.23 -2.26 0.30 0.00 -1.45 0.00 0.00 41.25 37.61 1djx s ASN 391 CO -0.00 -0.54 1.16 1.41 -3.72 0.00 0.00 177.10 175.41 1djx n HIS 392 N 5.76 0.01 -3.20 0.43 8.25 0.15 -4.98 115.22 121.64 1djx n HIS 392 Ca -0.05 -1.05 -0.32 0.00 -0.26 0.00 0.00 57.72 56.04 1djx n HIS 392 Cb 0.48 -0.16 -0.06 0.00 1.12 0.00 0.00 29.99 31.38 1djx n HIS 392 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1djx s SER 394 N -2.36 1.73 0.23 0.00 1.04 -1.26 -4.69 113.70 108.40 1djx s SER 394 Ca 0.52 1.16 -0.07 0.00 0.48 0.00 0.00 55.95 58.05 1djx s SER 394 Cb -0.10 -1.81 0.21 0.00 0.10 0.00 0.00 66.02 64.42 1djx s SER 394 CO 0.19 -3.68 1.83 -0.07 0.98 0.00 0.00 173.24 172.49 1djx h LEU 395 N -2.27 1.10 0.14 2.42 3.38 -1.97 0.76 115.31 118.86 1djx h LEU 395 Ca -0.56 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.28 1djx h LEU 395 Cb 1.33 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1djx h LEU 395 CO 0.52 0.92 -0.07 -0.08 0.09 0.00 0.00 178.44 179.82 1djx h GLU 396 N 1.20 -0.18 0.00 1.13 4.57 -2.00 -2.23 114.58 117.07 1djx h GLU 396 Ca 0.29 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.47 1djx h GLU 396 Cb 0.11 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1djx h GLU 396 CO -0.04 0.13 -0.06 1.96 -1.18 0.00 0.00 179.01 179.81 1djx h GLN 397 N -0.49 0.00 -0.38 1.92 4.20 -1.87 0.32 115.11 118.82 1djx h GLN 397 Ca -0.02 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 1djx h GLN 397 Cb 0.39 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1djx h GLN 397 CO 0.03 0.06 -0.06 1.96 -0.67 0.00 0.00 178.83 180.15 1djx h GLN 398 N 0.00 0.64 -0.41 1.46 4.20 -0.63 0.22 115.11 120.58 1djx h GLN 398 Ca -0.00 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.45 1djx h GLN 398 Cb 0.14 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1djx h GLN 398 CO 0.01 0.70 -0.06 0.00 -0.67 0.00 0.00 178.83 178.81 1djx h ARG 399 N 0.59 0.77 -0.80 1.46 3.08 0.20 -0.97 114.38 118.71 1djx h ARG 399 Ca 0.11 -0.27 0.04 0.00 0.07 0.00 0.00 59.98 59.93 1djx h ARG 399 Cb 0.47 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.41 1djx h ARG 399 CO 0.02 0.88 0.51 0.28 -1.07 0.00 0.00 179.97 180.59 1djx h VAL 400 N 0.59 1.11 -0.11 2.04 2.07 -0.38 -0.25 116.25 121.32 1djx h VAL 400 Ca 0.11 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.33 1djx h VAL 400 Cb 0.57 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 1djx h VAL 400 CO 0.03 0.18 -0.17 0.24 0.02 0.00 0.00 177.57 177.87 1djx h MET 401 N 0.98 -0.22 -0.68 1.57 2.86 0.07 0.37 114.93 119.89 1djx h MET 401 Ca 0.32 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.99 1djx h MET 401 Cb 0.03 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 1djx h MET 401 CO -0.12 -0.15 0.45 0.00 1.06 0.00 0.00 176.91 178.15 1djx h ALA 402 N 0.78 1.52 0.10 6.32 0.00 -0.70 0.53 119.26 127.82 1djx h ALA 402 Ca 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1djx h ALA 402 Cb 0.36 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1djx h ALA 402 CO -0.24 0.44 -0.05 0.00 0.00 0.00 0.00 179.25 179.40 1djx h ARG 403 N 0.91 -0.13 -0.78 0.00 3.08 0.01 -2.18 114.38 115.30 1djx h ARG 403 Ca 0.25 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.37 1djx h ARG 403 Cb -0.10 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 29.92 1djx h ARG 403 CO -0.05 0.14 0.46 0.45 -1.07 0.00 0.00 179.97 179.89 1djx h HIS 404 N -0.39 0.85 0.17 3.04 3.86 -0.50 0.19 115.15 122.37 1djx h HIS 404 Ca -0.01 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1djx h HIS 404 Cb 0.32 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 1djx h HIS 404 CO 0.01 0.41 -0.29 -0.07 0.86 0.00 0.00 177.93 178.85 1djx h LEU 405 N 0.83 -0.82 -0.11 2.43 3.38 -0.75 0.67 115.31 120.95 1djx h LEU 405 Ca 0.35 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 1djx h LEU 405 Cb 0.21 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1djx h LEU 405 CO -0.19 -0.39 0.03 -0.09 0.09 0.00 0.00 178.44 177.89 1djx h ARG 406 N -0.54 0.17 -0.72 1.13 2.43 -1.09 0.31 114.38 116.09 1djx h ARG 406 Ca 0.02 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1djx h ARG 406 Cb 0.54 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 1djx h ARG 406 CO -0.14 0.33 0.24 0.00 -1.51 0.00 0.00 179.97 178.89 1djx h ALA 407 N 0.84 0.94 0.02 2.80 0.00 -0.40 -0.31 119.26 123.15 1djx h ALA 407 Ca 0.03 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 1djx h ALA 407 Cb 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1djx h ALA 407 CO -0.00 0.60 -0.85 0.82 0.00 0.00 0.00 179.25 179.82 1djx h ILE 408 N 1.05 1.25 -0.02 0.00 2.04 0.41 -3.37 117.51 118.86 1djx h ILE 408 Ca 0.23 -2.28 -0.17 0.00 1.00 0.00 0.00 64.86 63.64 1djx h ILE 408 Cb 0.28 2.72 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 1djx h ILE 408 CO -0.01 0.49 -0.77 -0.07 0.00 0.00 0.00 178.15 177.79 1djx h LEU 409 N -0.87 0.18 0.00 1.44 4.07 -0.48 -3.48 115.31 116.18 1djx h LEU 409 Ca -0.22 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.61 1djx h LEU 409 Cb 1.28 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.97 1djx h LEU 409 CO -0.09 0.88 0.00 0.61 -1.08 0.00 0.00 178.44 178.76 1djx n GLY 410 N 0.64 2.97 0.32 0.83 0.00 -0.12 -1.59 105.19 108.23 1djx n GLY 410 Ca -0.02 -0.14 0.21 0.00 0.00 0.00 0.00 46.02 46.06 1djx n GLY 410 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1djx h PRO 411 N 0.00 0.00 -0.32 1.61 0.13 -1.92 -2.08 132.00 129.42 1djx h PRO 411 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1djx h PRO 411 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1djx h PRO 411 CO 0.00 0.01 -0.05 0.82 -0.23 0.00 0.00 178.00 178.55 1djx h ILE 412 N 0.00 1.21 -2.88 -3.56 2.04 -1.58 -3.43 117.51 109.30 1djx h ILE 412 Ca -0.00 -0.87 -0.53 0.00 1.00 0.00 0.00 64.86 64.46 1djx h ILE 412 Cb 0.13 1.02 0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1djx h ILE 412 CO 0.00 0.29 0.83 -0.22 0.00 0.00 0.00 178.15 179.05 1djx s LEU 413 N -8.99 4.36 -0.41 1.44 2.96 -0.78 -1.43 118.68 115.83 1djx s LEU 413 Ca -0.07 2.40 -0.24 0.00 -0.22 0.00 0.00 54.13 55.99 1djx s LEU 413 Cb 0.15 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.28 1djx s LEU 413 CO 0.77 -0.75 0.85 -0.22 -1.32 0.00 0.00 176.35 175.68 1djx s LEU 414 N 1.57 4.09 -0.08 -0.68 2.96 -0.63 -4.86 118.68 121.04 1djx s LEU 414 Ca 0.68 0.26 0.11 0.00 -0.22 0.00 0.00 54.13 54.96 1djx s LEU 414 Cb -0.38 -3.11 0.21 0.00 0.50 0.00 0.00 46.19 43.40 1djx s LEU 414 CO 0.30 -0.88 1.13 -0.90 -1.32 0.00 0.00 176.35 174.69 1djx n ASP 415 N 6.75 2.42 -3.52 3.68 5.68 -1.26 -4.68 116.55 125.63 1djx n ASP 415 Ca 0.05 -2.60 -0.17 0.00 -0.50 0.00 0.00 54.79 51.56 1djx n ASP 415 Cb 0.48 -0.27 -0.06 0.00 -1.14 0.00 0.00 41.12 40.13 1djx n ASP 415 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1djx s GLN 416 N -2.05 1.06 0.69 0.11 -1.52 -1.26 -4.83 119.66 111.85 1djx s GLN 416 Ca 0.21 0.18 -0.17 0.00 -1.95 0.00 0.00 55.36 53.63 1djx s GLN 416 Cb 0.17 0.50 0.01 0.00 -0.22 0.00 0.00 33.01 33.47 1djx s GLN 416 CO 0.03 -0.34 1.25 -2.14 -0.25 0.00 0.00 175.29 173.84 1djx s PRO 417 N -1.41 2.35 0.58 2.91 0.02 -1.26 -4.98 135.00 133.22 1djx s PRO 417 Ca -0.10 1.91 -0.11 0.00 0.02 0.00 0.00 61.00 62.72 1djx s PRO 417 Cb -0.00 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.63 1djx s PRO 417 CO 0.08 -1.71 1.00 -0.51 -0.33 0.00 0.00 177.00 175.52 1djx s LEU 418 N -4.74 3.35 0.46 -5.54 1.43 -1.26 -5.00 118.68 107.38 1djx s LEU 418 Ca 0.78 1.40 -0.24 0.00 -1.03 0.00 0.00 54.13 55.05 1djx s LEU 418 Cb -0.33 -4.42 -0.07 0.00 0.03 0.00 0.00 46.19 41.40 1djx s LEU 418 CO 0.42 -0.78 1.24 -1.81 0.23 0.00 0.00 176.35 175.65 1djx s ASP 419 N -3.95 6.02 0.00 2.29 1.11 -1.26 -2.98 116.67 117.89 1djx s ASP 419 Ca 0.55 2.50 0.00 0.00 0.18 0.00 0.00 52.55 55.78 1djx s ASP 419 Cb -0.11 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.26 1djx s ASP 419 CO 0.49 -1.04 0.00 0.61 1.18 0.00 0.00 175.17 176.41 1djx n GLY 420 N 0.58 0.86 3.57 0.21 0.00 -1.26 -4.83 105.19 104.32 1djx n GLY 420 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 1djx n GLY 420 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1djx s VAL 421 N -0.64 3.23 -0.06 1.61 1.01 -1.16 -4.51 120.40 119.89 1djx s VAL 421 Ca 0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 1djx s VAL 421 Cb 0.00 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 1djx s VAL 421 CO 0.00 -0.44 -0.12 0.35 0.00 0.00 0.00 175.10 174.89 1djx n THR 422 N 8.50 0.58 0.09 3.92 -2.24 -1.26 -4.80 114.28 119.07 1djx n THR 422 Ca 0.43 0.33 0.09 0.00 -2.27 0.00 0.00 64.05 62.64 1djx n THR 422 Cb 0.46 -1.77 -0.02 0.00 -2.10 0.00 0.00 70.33 66.91 1djx n THR 422 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1djx n THR 423 N -3.23 0.71 -4.44 4.28 -2.24 -1.26 -4.97 114.28 103.12 1djx n THR 423 Ca -0.05 -0.57 -0.22 0.00 -2.27 0.00 0.00 64.05 60.94 1djx n THR 423 Cb 0.18 -0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 67.91 1djx n THR 423 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1djx s SER 424 N -5.42 2.28 0.57 3.42 0.01 -1.26 -4.84 113.70 108.46 1djx s SER 424 Ca -0.01 -1.46 -0.17 0.00 1.31 0.00 0.00 55.95 55.63 1djx s SER 424 Cb 0.09 0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.39 1djx s SER 424 CO 0.80 -0.71 1.06 -0.76 0.41 0.00 0.00 173.24 174.03 1djx s LEU 425 N -3.49 3.56 0.94 2.44 1.43 -1.26 -4.89 118.68 117.41 1djx s LEU 425 Ca 0.33 1.84 -0.11 0.00 -1.03 0.00 0.00 54.13 55.16 1djx s LEU 425 Cb 0.07 -4.54 0.15 0.00 0.03 0.00 0.00 46.19 41.90 1djx s LEU 425 CO 0.15 -1.10 1.09 -2.84 0.23 0.00 0.00 176.35 173.88 1djx s PRO 426 N -3.92 0.92 0.61 1.29 0.02 -1.26 -4.29 135.00 128.37 1djx s PRO 426 Ca 0.64 0.92 -0.01 0.00 0.02 0.00 0.00 61.00 62.58 1djx s PRO 426 Cb -0.16 -1.76 0.05 0.00 0.02 0.00 0.00 34.50 32.65 1djx s PRO 426 CO 0.34 -2.50 0.86 -1.54 -0.33 0.00 0.00 177.00 173.83 1djx s SER 427 N -3.20 5.03 0.27 2.53 1.04 -1.24 -1.44 113.70 116.69 1djx s SER 427 Ca 0.64 0.01 -0.02 0.00 0.48 0.00 0.00 55.95 57.06 1djx s SER 427 Cb -0.20 -0.76 0.38 0.00 0.10 0.00 0.00 66.02 65.54 1djx s SER 427 CO 0.58 -1.35 1.83 -0.65 0.98 0.00 0.00 173.24 174.63 1djx h PRO 428 N -0.16 0.89 0.17 4.02 0.11 -1.66 -2.33 132.00 133.05 1djx h PRO 428 Ca -0.41 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 65.52 1djx h PRO 428 Cb 1.30 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1djx h PRO 428 CO 0.51 0.77 -0.08 0.93 -0.21 0.00 0.00 178.00 179.92 1djx h GLU 429 N 0.87 -0.22 -0.06 1.05 4.39 -1.65 -1.42 114.58 117.55 1djx h GLU 429 Ca 0.20 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.93 1djx h GLU 429 Cb 0.25 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1djx h GLU 429 CO -0.01 -0.13 0.14 1.96 -1.16 0.00 0.00 179.01 179.81 1djx h GLN 430 N -0.24 0.00 -0.41 2.33 4.20 -1.73 -1.40 115.11 117.86 1djx h GLN 430 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1djx h GLN 430 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1djx h GLN 430 CO 0.04 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.48 1djx n LEU 431 N -3.34 3.23 -4.60 1.46 4.77 -0.80 -4.94 117.00 112.79 1djx n LEU 431 Ca -0.01 -2.11 -0.45 0.00 -0.03 0.00 0.00 56.01 53.41 1djx n LEU 431 Cb 0.22 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1djx n LEU 431 CO 0.22 0.77 0.63 0.29 -1.33 0.00 0.00 177.39 177.96 1djx n LYS 432 N 0.61 1.44 -0.84 3.23 5.02 -0.53 -1.13 118.16 125.96 1djx n LYS 432 Ca 0.15 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 1djx n LYS 432 Cb 0.51 -1.92 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1djx n LYS 432 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1djx n GLY 433 N 1.28 0.42 3.78 0.72 0.00 0.40 -4.90 105.19 106.89 1djx n GLY 433 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1djx n GLY 433 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1djx s LYS 434 N -0.67 2.81 -0.15 1.61 -0.14 -0.28 -4.73 119.74 118.20 1djx s LYS 434 Ca 0.00 -0.96 0.01 0.00 -1.36 0.00 0.00 55.97 53.66 1djx s LYS 434 Cb 0.00 -2.57 0.00 0.00 -1.68 0.00 0.00 37.83 33.58 1djx s LYS 434 CO 0.00 0.46 -0.18 0.42 -0.76 0.00 0.00 175.35 175.29 1djx s ILE 435 N -1.85 2.43 0.20 2.17 1.01 -0.52 -1.79 121.20 122.86 1djx s ILE 435 Ca 0.31 -0.85 0.09 0.00 0.00 0.00 0.00 60.65 60.20 1djx s ILE 435 Cb -0.09 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 1djx s ILE 435 CO 0.23 0.53 -0.10 -1.48 0.00 0.00 0.00 174.94 174.12 1djx s LEU 436 N 0.80 2.95 -0.09 2.97 2.34 0.12 -1.61 118.68 126.16 1djx s LEU 436 Ca -0.06 -0.64 -0.06 0.00 0.06 0.00 0.00 54.13 53.42 1djx s LEU 436 Cb -0.15 -1.59 -0.04 0.00 -0.56 0.00 0.00 46.19 43.84 1djx s LEU 436 CO -0.00 0.08 0.16 -0.76 -1.06 0.00 0.00 176.35 174.77 1djx s LEU 437 N -3.02 4.39 -0.06 1.48 1.43 -1.26 -0.43 118.68 121.21 1djx s LEU 437 Ca 0.26 0.47 0.04 0.00 -1.03 0.00 0.00 54.13 53.87 1djx s LEU 437 Cb -0.08 -2.20 -0.00 0.00 0.03 0.00 0.00 46.19 43.94 1djx s LEU 437 CO 0.16 0.38 -0.20 -0.75 0.23 0.00 0.00 176.35 176.16 1djx s LYS 438 N -1.22 2.19 0.00 1.70 2.20 -0.09 -4.06 119.74 120.47 1djx s LYS 438 Ca 0.18 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 1djx s LYS 438 Cb -0.12 -1.82 0.00 0.00 -1.51 0.00 0.00 37.83 34.37 1djx s LYS 438 CO 0.07 0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.72 1djx n GLY 439 N 3.24 -1.48 3.75 5.54 0.00 -0.77 -1.14 105.19 114.32 1djx n GLY 439 Ca -0.19 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 1djx n GLY 439 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1djx s LYS 440 N -1.50 4.54 -0.04 1.61 1.02 -1.26 -0.08 119.74 124.03 1djx s LYS 440 Ca 0.00 1.87 0.06 0.00 0.02 0.00 0.00 55.97 57.93 1djx s LYS 440 Cb 0.00 -3.21 -0.01 0.00 -0.52 0.00 0.00 37.83 34.09 1djx s LYS 440 CO 0.00 0.03 -0.24 0.21 -0.92 0.00 0.00 175.35 174.42 1djx s LYS 441 N -0.85 2.26 0.49 1.68 2.20 -1.26 -4.70 119.74 119.57 1djx s LYS 441 Ca 0.49 -0.87 -0.21 0.00 -0.36 0.00 0.00 55.97 55.02 1djx s LYS 441 Cb -0.33 -2.01 -0.10 0.00 -1.51 0.00 0.00 37.83 33.88 1djx s LYS 441 CO 0.40 0.42 0.73 1.28 -0.36 0.00 0.00 175.35 177.82 1djx n LEU 442 N 2.79 1.52 0.00 5.43 4.77 -1.26 -5.05 117.00 125.19 1djx n LEU 442 Ca -0.17 0.88 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 1djx n LEU 442 Cb 0.52 -1.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 1djx n LEU 442 CO 0.24 -2.39 0.00 0.29 -1.33 0.00 0.00 177.39 174.20 1djx n LYS 487 N 0.03 0.00 -3.76 3.23 4.01 -1.26 -5.11 118.16 115.29 1djx n LYS 487 Ca 0.11 0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.69 1djx n LYS 487 Cb 0.43 -2.83 -0.18 0.00 -0.51 0.00 0.00 35.03 31.95 1djx n LYS 487 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1djx s LEU 488 N 0.00 0.53 0.39 -0.35 2.96 -1.26 -4.86 118.68 116.08 1djx s LEU 488 Ca 0.00 -0.05 -0.25 0.00 -0.22 0.00 0.00 54.13 53.61 1djx s LEU 488 Cb 0.00 -0.37 -0.09 0.00 0.50 0.00 0.00 46.19 46.23 1djx s LEU 488 CO 0.00 -0.20 1.08 0.68 -1.32 0.00 0.00 176.35 176.59 1djx s VAL 489 N 1.96 3.59 0.41 1.68 -7.23 -1.26 -4.86 120.40 114.69 1djx s VAL 489 Ca 0.04 1.27 0.08 0.00 -1.81 0.00 0.00 61.98 61.57 1djx s VAL 489 Cb -0.12 -3.68 0.28 0.00 0.56 0.00 0.00 36.38 33.42 1djx s VAL 489 CO -0.05 0.06 2.04 -0.65 -0.31 0.00 0.00 175.10 176.19 1djx h PRO 490 N 2.64 0.53 -0.74 4.82 0.11 -1.99 -0.42 132.00 136.95 1djx h PRO 490 Ca -0.48 -0.03 0.16 0.00 0.11 0.00 0.00 66.00 65.75 1djx h PRO 490 Cb 1.22 -0.12 -0.11 0.00 0.11 0.00 0.00 31.00 32.10 1djx h PRO 490 CO 0.63 0.35 0.19 0.93 -0.21 0.00 0.00 178.00 179.89 1djx h GLU 491 N 0.54 0.28 0.02 1.05 3.07 -1.95 0.47 114.58 118.06 1djx h GLU 491 Ca 0.19 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1djx h GLU 491 Cb 0.08 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1djx h GLU 491 CO -0.05 0.19 -0.01 1.25 -1.40 0.00 0.00 179.01 178.99 1djx h LEU 492 N 0.29 -0.02 -1.53 1.33 7.12 -1.72 -3.36 115.31 117.43 1djx h LEU 492 Ca 0.42 -0.03 0.30 0.00 0.13 0.00 0.00 57.88 58.69 1djx h LEU 492 Cb 0.70 0.01 -0.08 0.00 -0.53 0.00 0.00 40.66 40.75 1djx h LEU 492 CO -0.50 0.49 0.73 -1.28 -0.13 0.00 0.00 178.44 177.75 1djx h SER 493 N -1.01 0.31 0.77 1.25 0.87 -0.90 0.38 113.55 115.22 1djx h SER 493 Ca -0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1djx h SER 493 Cb 0.05 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1djx h SER 493 CO 0.00 0.04 0.00 0.47 -0.53 0.00 0.00 176.83 176.81 1djx n ASP 494 N -4.52 0.07 -0.02 6.23 8.00 0.16 -2.66 116.55 123.82 1djx n ASP 494 Ca 0.26 0.51 0.12 0.00 0.71 0.00 0.00 54.79 56.39 1djx n ASP 494 Cb 1.02 -0.53 0.20 0.00 -0.02 0.00 0.00 41.12 41.78 1djx n ASP 494 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1djx n MET 495 N -1.58 0.05 -2.75 -1.24 2.81 0.13 -4.74 117.12 109.80 1djx n MET 495 Ca 0.05 -0.03 -0.43 0.00 -1.81 0.00 0.00 57.70 55.48 1djx n MET 495 Cb 0.26 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.23 1djx n MET 495 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1djx s ILE 496 N -2.97 4.34 -0.08 2.02 -1.09 -1.09 -4.48 121.20 117.85 1djx s ILE 496 Ca 0.11 0.75 -0.10 0.00 -2.23 0.00 0.00 60.65 59.19 1djx s ILE 496 Cb 0.17 -4.53 -0.04 0.00 -1.58 0.00 0.00 42.46 36.48 1djx s ILE 496 CO 0.72 -1.00 -0.20 -0.38 -1.23 0.00 0.00 174.94 172.84 1djx n ILE 497 N 6.49 1.27 0.80 2.92 2.08 -1.26 -4.85 119.36 126.80 1djx n ILE 497 Ca 0.07 0.14 0.08 0.00 0.56 0.00 0.00 62.75 63.60 1djx n ILE 497 Cb 0.48 -1.95 -0.08 0.00 -0.75 0.00 0.00 39.64 37.34 1djx n ILE 497 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1djx n TYR 498 N -3.97 0.00 -3.47 1.39 4.01 -1.26 -4.74 117.16 109.11 1djx n TYR 498 Ca -0.14 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.34 1djx n TYR 498 Cb 0.40 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.34 1djx n TYR 498 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1djx s LYS 500 N -1.63 3.97 0.15 0.00 2.20 -0.58 -1.85 119.74 122.00 1djx s LYS 500 Ca 0.35 0.87 -0.31 0.00 -0.36 0.00 0.00 55.97 56.51 1djx s LYS 500 Cb 0.10 -3.77 -0.10 0.00 -1.51 0.00 0.00 37.83 32.55 1djx s LYS 500 CO -0.09 -0.95 1.55 0.45 -0.36 0.00 0.00 175.35 175.94 1djx s SER 501 N 1.79 6.62 0.07 1.43 0.15 0.88 -0.12 113.70 124.52 1djx s SER 501 Ca 0.43 2.57 0.00 0.00 0.70 0.00 0.00 55.95 59.66 1djx s SER 501 Cb -0.12 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.56 1djx s SER 501 CO 0.18 -0.81 -0.05 -0.69 1.20 0.00 0.00 173.24 173.08 1djx s VAL 502 N 1.20 0.43 0.08 4.45 1.01 0.62 -4.61 120.40 123.58 1djx s VAL 502 Ca 0.69 -1.86 -0.20 0.00 0.00 0.00 0.00 61.98 60.62 1djx s VAL 502 Cb -0.43 -1.58 -0.07 0.00 0.00 0.00 0.00 36.38 34.30 1djx s VAL 502 CO 0.31 -0.94 0.59 -1.00 0.00 0.00 0.00 175.10 174.06 1djx s HIS 503 N -3.76 3.81 0.09 5.22 3.76 -1.26 -3.97 115.29 119.17 1djx s HIS 503 Ca 0.09 1.30 -0.32 0.00 -0.15 0.00 0.00 55.06 55.98 1djx s HIS 503 Cb 0.07 -2.53 -0.12 0.00 1.11 0.00 0.00 32.58 31.11 1djx s HIS 503 CO -0.08 0.57 1.80 0.34 -0.85 0.00 0.00 174.74 176.52 1djx n PHE 504 N 1.77 2.49 -0.07 1.40 7.35 -1.26 -4.87 117.46 124.27 1djx n PHE 504 Ca -0.10 -0.04 -0.05 0.00 -0.76 0.00 0.00 57.45 56.50 1djx n PHE 504 Cb 0.51 -2.68 -0.02 0.00 0.35 0.00 0.00 39.48 37.64 1djx n PHE 504 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1djx n GLY 505 N 4.10 -0.89 0.00 7.13 0.00 -1.26 -5.12 105.19 109.15 1djx n GLY 505 Ca 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1djx n GLY 505 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djx n GLY 506 N 1.59 -2.31 3.64 -0.02 0.00 -1.26 -5.10 105.19 101.73 1djx n GLY 506 Ca -0.08 -1.33 -0.28 0.00 0.00 0.00 0.00 46.02 44.33 1djx n GLY 506 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1djx s PHE 507 N -2.26 2.83 -0.29 1.61 0.08 -1.25 -4.03 117.98 114.66 1djx s PHE 507 Ca 0.00 -0.13 -0.24 0.00 0.12 0.00 0.00 56.93 56.68 1djx s PHE 507 Cb 0.00 -1.40 0.15 0.00 -0.57 0.00 0.00 43.02 41.20 1djx s PHE 507 CO 0.00 0.50 1.16 -1.54 -0.10 0.00 0.00 175.22 175.24 1djx s SER 508 N -2.72 -0.32 0.22 1.36 1.04 -0.65 -4.84 113.70 107.79 1djx s SER 508 Ca 0.26 0.61 -0.14 0.00 0.48 0.00 0.00 55.95 57.16 1djx s SER 508 Cb -0.10 0.67 0.26 0.00 0.10 0.00 0.00 66.02 66.96 1djx s SER 508 CO 0.17 -0.10 1.60 0.77 0.98 0.00 0.00 173.24 176.66 1djx h SER 509 N 4.05 -0.84 0.00 7.02 4.64 -1.99 -3.40 113.55 123.03 1djx h SER 509 Ca -0.28 0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1djx h SER 509 Cb 1.18 0.50 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1djx h SER 509 CO 0.14 -0.26 0.00 -0.81 -0.87 0.00 0.00 176.83 175.03 1djx n PRO 510 N -5.48 2.24 -0.33 4.77 -0.05 -1.26 -4.96 135.00 129.92 1djx n PRO 510 Ca 0.09 0.00 0.07 0.00 -0.05 0.00 0.00 63.50 63.61 1djx n PRO 510 Cb 0.38 0.00 0.21 0.00 -0.05 0.00 0.00 33.50 34.04 1djx n PRO 510 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1djx n GLY 511 N 4.04 3.52 0.10 0.55 0.00 -1.26 -4.57 105.19 107.56 1djx n GLY 511 Ca 0.00 -0.76 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 1djx n GLY 511 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1djx h THR 512 N 1.85 0.64 -0.25 2.61 1.35 -1.93 -3.44 112.91 113.74 1djx h THR 512 Ca 0.00 -2.18 -0.26 0.00 -0.55 0.00 0.00 66.41 63.42 1djx h THR 512 Cb 1.14 2.17 -0.17 0.00 -1.73 0.00 0.00 68.15 69.55 1djx h THR 512 CO 0.13 0.36 -0.57 -1.54 -0.25 0.00 0.00 175.52 173.66 1djx n SER 513 N -2.97 -2.52 -2.78 5.36 3.41 -1.26 -4.97 113.62 107.89 1djx n SER 513 Ca -0.09 -3.23 0.03 0.00 -0.26 0.00 0.00 58.87 55.32 1djx n SER 513 Cb 0.86 1.53 0.01 0.00 -0.26 0.00 0.00 64.21 66.35 1djx n SER 513 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1djx s GLY 514 N -1.63 -1.46 0.02 5.00 0.00 -1.26 -1.63 107.32 106.36 1djx s GLY 514 Ca 0.32 1.64 -0.01 0.00 0.00 0.00 0.00 44.72 46.67 1djx s GLY 514 CO -0.23 4.38 -0.03 0.61 0.00 0.00 0.00 173.10 177.83 1djx n GLN 515 N 3.84 0.00 -2.61 2.90 10.64 -1.26 -4.90 117.38 125.98 1djx n GLN 515 Ca 0.06 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 54.91 1djx n GLN 515 Cb 0.63 -0.02 -0.04 0.00 -0.86 0.00 0.00 30.24 29.95 1djx n GLN 515 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1djx s ALA 516 N -0.04 3.11 0.57 2.61 0.00 -1.26 -4.89 121.76 121.86 1djx s ALA 516 Ca 0.01 0.18 0.35 0.00 0.00 0.00 0.00 51.96 52.49 1djx s ALA 516 Cb 0.00 -3.05 1.43 0.00 0.00 0.00 0.00 23.12 21.50 1djx s ALA 516 CO 0.01 -0.08 1.69 0.27 0.00 0.00 0.00 175.76 177.65 1djx h PHE 517 N 1.29 0.00 -0.59 0.00 -5.15 -1.88 1.74 116.94 112.35 1djx h PHE 517 Ca -0.47 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.30 1djx h PHE 517 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.35 1djx h PHE 517 CO 0.63 0.00 0.00 2.48 -2.00 0.00 0.00 178.31 179.42 1djx n TYR 518 N -3.82 1.79 -4.80 6.09 0.18 -1.26 -4.63 117.16 110.71 1djx n TYR 518 Ca 0.23 -0.65 -0.33 0.00 1.88 0.00 0.00 57.90 59.03 1djx n TYR 518 Cb 1.27 -0.39 -0.13 0.00 -0.38 0.00 0.00 39.34 39.70 1djx n TYR 518 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1djx s GLU 519 N -2.35 2.95 -0.08 -3.48 2.02 0.59 -1.52 118.70 116.83 1djx s GLU 519 Ca 0.52 -0.67 0.03 0.00 0.02 0.00 0.00 54.97 54.86 1djx s GLU 519 Cb 0.37 -2.53 0.01 0.00 0.10 0.00 0.00 34.13 32.08 1djx s GLU 519 CO 0.19 0.44 -0.16 1.41 0.02 0.00 0.00 175.26 177.16 1djx s MET 520 N -0.23 2.12 0.10 1.61 1.75 0.82 -4.47 119.30 121.00 1djx s MET 520 Ca 0.01 -0.55 0.02 0.00 -1.25 0.00 0.00 55.69 53.92 1djx s MET 520 Cb -0.13 -1.70 -0.04 0.00 2.84 0.00 0.00 34.83 35.80 1djx s MET 520 CO 0.03 0.05 0.21 0.00 -0.65 0.00 0.00 175.02 174.66 1djx s ALA 521 N 0.63 3.89 0.02 4.11 0.00 -1.25 -0.27 121.76 128.89 1djx s ALA 521 Ca -0.15 -0.96 0.07 0.00 0.00 0.00 0.00 51.96 50.93 1djx s ALA 521 Cb -0.16 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 1djx s ALA 521 CO 0.04 0.69 -0.21 -1.12 0.00 0.00 0.00 175.76 175.17 1djx s SER 522 N -2.78 3.57 -0.01 0.00 0.01 -1.25 -1.29 113.70 111.94 1djx s SER 522 Ca 0.34 -0.44 0.02 0.00 1.31 0.00 0.00 55.95 57.18 1djx s SER 522 Cb -0.12 -0.52 -0.01 0.00 0.21 0.00 0.00 66.02 65.58 1djx s SER 522 CO 0.27 0.28 -0.08 -0.36 0.41 0.00 0.00 173.24 173.76 1djx s PHE 523 N -0.82 0.70 0.78 2.43 0.40 0.13 -4.76 117.98 116.84 1djx s PHE 523 Ca 0.13 -0.13 -0.11 0.00 -0.60 0.00 0.00 56.93 56.21 1djx s PHE 523 Cb -0.10 -0.45 0.06 0.00 0.51 0.00 0.00 43.02 43.03 1djx s PHE 523 CO 0.03 -0.02 1.09 -1.54 0.70 0.00 0.00 175.22 175.48 1djx s SER 524 N -0.15 4.57 0.16 1.36 1.04 -1.26 -1.57 113.70 117.85 1djx s SER 524 Ca 0.03 1.42 -0.20 0.00 0.48 0.00 0.00 55.95 57.68 1djx s SER 524 Cb -0.03 -2.18 0.06 0.00 0.10 0.00 0.00 66.02 63.97 1djx s SER 524 CO -0.00 -1.93 1.65 -0.08 0.98 0.00 0.00 173.24 173.86 1djx h GLU 525 N -1.06 -0.11 -0.29 4.02 4.81 -1.09 0.26 114.58 121.11 1djx h GLU 525 Ca -0.46 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.81 1djx h GLU 525 Cb 1.26 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.63 1djx h GLU 525 CO 0.58 -0.08 0.07 0.77 -0.73 0.00 0.00 179.01 179.62 1djx h SER 526 N -0.12 0.04 -0.49 1.04 0.02 -1.91 0.26 113.55 112.40 1djx h SER 526 Ca 0.16 0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 61.03 1djx h SER 526 Cb 0.36 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1djx h SER 526 CO -0.39 0.06 -0.18 -0.09 -1.14 0.00 0.00 176.83 175.09 1djx h ARG 527 N 0.18 1.00 -0.49 3.45 2.43 -1.76 -2.13 114.38 117.07 1djx h ARG 527 Ca 0.13 -0.41 -0.01 0.00 -0.81 0.00 0.00 59.98 58.89 1djx h ARG 527 Cb 0.13 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1djx h ARG 527 CO -0.16 1.09 0.28 0.00 -1.51 0.00 0.00 179.97 179.67 1djx h ALA 528 N 0.91 0.63 -0.42 2.80 0.00 -0.07 -1.32 119.26 121.79 1djx h ALA 528 Ca 0.12 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1djx h ALA 528 Cb 0.76 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1djx h ALA 528 CO 0.06 0.13 0.20 -0.07 0.00 0.00 0.00 179.25 179.57 1djx h LEU 529 N 0.65 0.27 -0.13 0.00 3.38 -0.72 0.09 115.31 118.85 1djx h LEU 529 Ca 0.17 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.19 1djx h LEU 529 Cb 0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1djx h LEU 529 CO -0.03 0.20 -0.00 -0.09 0.09 0.00 0.00 178.44 178.61 1djx h ARG 530 N 0.40 0.04 -0.53 1.13 2.43 -1.10 0.51 114.38 117.26 1djx h ARG 530 Ca 0.18 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1djx h ARG 530 Cb 0.10 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1djx h ARG 530 CO -0.14 0.03 0.34 -0.07 -1.51 0.00 0.00 179.97 178.61 1djx h LEU 531 N 0.04 0.61 -0.61 3.80 3.38 -0.67 0.33 115.31 122.21 1djx h LEU 531 Ca 0.06 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 1djx h LEU 531 Cb 0.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1djx h LEU 531 CO -0.10 0.46 -0.54 -0.07 0.09 0.00 0.00 178.44 178.27 1djx h LEU 532 N 0.72 0.48 -0.38 1.67 3.38 0.29 1.04 115.31 122.51 1djx h LEU 532 Ca 0.19 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1djx h LEU 532 Cb -0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1djx h LEU 532 CO -0.04 0.93 -0.07 -0.61 0.09 0.00 0.00 178.44 178.74 1djx h GLN 533 N 0.34 0.72 0.00 1.13 5.75 0.14 -2.88 115.11 120.31 1djx h GLN 533 Ca 0.01 -0.26 -0.32 0.00 -0.15 0.00 0.00 58.65 57.92 1djx h GLN 533 Cb 1.06 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 29.50 1djx h GLN 533 CO 0.10 0.85 -2.16 0.39 -2.65 0.00 0.00 178.83 175.36 1djx n GLU 534 N -4.39 0.67 -2.69 1.69 1.02 0.10 -4.69 120.64 112.35 1djx n GLU 534 Ca -0.01 0.06 -0.07 0.00 -0.02 0.00 0.00 57.16 57.12 1djx n GLU 534 Cb 0.33 -1.60 0.04 0.00 -0.02 0.00 0.00 31.44 30.20 1djx n GLU 534 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1djx n SER 535 N -2.80 1.09 -0.25 1.62 7.64 0.36 -4.95 113.62 116.33 1djx n SER 535 Ca -0.26 -2.58 -0.01 0.00 1.01 0.00 0.00 58.87 57.02 1djx n SER 535 Cb 1.09 -0.35 0.05 0.00 -1.01 0.00 0.00 64.21 63.99 1djx n SER 535 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1djx h GLY 536 N 2.82 0.24 1.91 0.23 0.00 -1.33 0.27 103.07 107.21 1djx h GLY 536 Ca -0.13 0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.50 1djx h GLY 536 CO 0.39 -0.25 -0.20 -0.57 0.00 0.00 0.00 176.54 175.92 1djx h ASN 537 N -0.06 0.11 -0.30 0.19 -0.73 -1.88 0.35 115.58 113.24 1djx h ASN 537 Ca 0.31 -0.02 -0.07 0.00 1.87 0.00 0.00 56.30 58.38 1djx h ASN 537 Cb 0.56 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.11 1djx h ASN 537 CO -0.77 0.32 -0.10 1.23 -0.37 0.00 0.00 177.43 177.74 1djx h GLY 538 N 0.74 0.65 0.94 1.57 0.00 -0.87 0.51 103.07 106.62 1djx h GLY 538 Ca 0.02 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 1djx h GLY 538 CO 0.03 0.51 0.09 -2.75 0.00 0.00 0.00 176.54 174.41 1djx h PHE 539 N 0.37 0.21 0.24 5.60 3.04 -0.71 0.64 116.94 126.33 1djx h PHE 539 Ca 0.07 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.03 1djx h PHE 539 Cb 0.60 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 39.01 1djx h PHE 539 CO 0.05 0.21 -0.36 0.28 -2.02 0.00 0.00 178.31 176.47 1djx h VAL 540 N 0.15 0.26 -0.71 1.41 2.07 -0.73 0.56 116.25 119.26 1djx h VAL 540 Ca 0.05 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.59 1djx h VAL 540 Cb 0.07 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 1djx h VAL 540 CO -0.01 0.00 0.47 0.03 0.02 0.00 0.00 177.57 178.08 1djx h ARG 541 N -0.66 0.91 -0.78 1.57 3.08 -0.74 0.52 114.38 118.27 1djx h ARG 541 Ca 0.00 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1djx h ARG 541 Cb 0.64 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1djx h ARG 541 CO -0.14 0.60 0.29 1.25 -1.07 0.00 0.00 179.97 180.90 1djx h HIS 542 N 0.94 1.21 0.00 3.04 2.76 0.18 -2.57 115.15 120.70 1djx h HIS 542 Ca 0.27 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 1djx h HIS 542 Cb -0.06 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 28.54 1djx h HIS 542 CO -0.00 0.92 0.00 0.09 -1.30 0.00 0.00 177.93 177.64 1djx n ASN 543 N -4.27 0.00 -0.14 3.26 3.02 0.18 -2.80 115.26 114.51 1djx n ASN 543 Ca 0.07 -0.22 -0.12 0.00 -0.03 0.00 0.00 54.58 54.28 1djx n ASN 543 Cb 0.20 -0.19 -0.01 0.00 -0.61 0.00 0.00 39.78 39.17 1djx n ASN 543 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1djx h VAL 544 N 0.00 1.27 0.00 2.41 2.07 -1.12 -3.34 116.25 117.55 1djx h VAL 544 Ca 0.00 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1djx h VAL 544 Cb 0.12 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1djx h VAL 544 CO 0.00 0.47 0.00 -1.54 0.02 0.00 0.00 177.57 176.52 1djx n SER 545 N -4.16 1.04 -4.22 0.57 3.41 -1.23 -4.47 113.62 104.57 1djx n SER 545 Ca -0.01 -1.16 -0.24 0.00 -0.26 0.00 0.00 58.87 57.19 1djx n SER 545 Cb 0.46 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.27 1djx n SER 545 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1djx s LEU 547 N -1.04 4.52 0.03 0.00 1.43 -1.26 -4.37 118.68 117.99 1djx s LEU 547 Ca 0.06 1.30 0.06 0.00 -1.03 0.00 0.00 54.13 54.52 1djx s LEU 547 Cb -0.08 -2.98 -0.02 0.00 0.03 0.00 0.00 46.19 43.13 1djx s LEU 547 CO 0.01 0.25 -0.18 -0.44 0.23 0.00 0.00 176.35 176.22 1djx s SER 548 N -1.17 2.11 -0.06 2.29 0.01 -1.26 -3.84 113.70 111.79 1djx s SER 548 Ca 0.31 -0.46 0.04 0.00 1.31 0.00 0.00 55.95 57.15 1djx s SER 548 Cb -0.20 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 65.84 1djx s SER 548 CO 0.20 0.13 -0.18 -0.60 0.41 0.00 0.00 173.24 173.19 1djx s ARG 549 N -1.01 2.55 0.03 12.44 3.52 -0.41 -1.82 118.95 134.26 1djx s ARG 549 Ca 0.05 -0.78 0.08 0.00 -0.13 0.00 0.00 55.73 54.96 1djx s ARG 549 Cb -0.08 -2.31 -0.03 0.00 -1.56 0.00 0.00 34.95 30.98 1djx s ARG 549 CO 0.01 0.51 -0.24 0.42 -0.81 0.00 0.00 175.30 175.19 1djx s ILE 550 N -0.46 1.93 0.11 4.11 -1.09 -0.46 0.19 121.20 125.52 1djx s ILE 550 Ca 0.05 -1.26 0.00 0.00 -2.23 0.00 0.00 60.65 57.22 1djx s ILE 550 Cb -0.12 -1.65 -0.04 0.00 -1.58 0.00 0.00 42.46 39.07 1djx s ILE 550 CO 0.01 0.34 -0.02 -0.72 -1.23 0.00 0.00 174.94 173.33 1djx s TYR 551 N -0.76 0.84 0.65 3.97 1.13 -0.61 -0.83 117.35 121.75 1djx s TYR 551 Ca 0.10 -1.05 -0.18 0.00 -1.41 0.00 0.00 57.07 54.53 1djx s TYR 551 Cb -0.09 -0.51 -0.01 0.00 -1.10 0.00 0.00 41.96 40.25 1djx s TYR 551 CO 0.01 -0.31 1.30 -2.14 -2.51 0.00 0.00 175.55 171.91 1djx s PRO 552 N -3.92 2.53 0.46 -3.49 0.02 -1.26 -0.59 135.00 128.75 1djx s PRO 552 Ca 0.15 2.08 -0.24 0.00 0.02 0.00 0.00 61.00 63.01 1djx s PRO 552 Cb 0.07 -1.84 -0.07 0.00 0.02 0.00 0.00 34.50 32.67 1djx s PRO 552 CO -0.03 -1.62 1.34 0.00 -0.33 0.00 0.00 177.00 176.36 1djx s ALA 553 N -1.38 3.11 0.57 -1.55 0.00 -1.26 -4.55 121.76 116.69 1djx s ALA 553 Ca 0.83 1.31 0.28 0.00 0.00 0.00 0.00 51.96 54.37 1djx s ALA 553 Cb -0.38 -3.53 1.50 0.00 0.00 0.00 0.00 23.12 20.71 1djx s ALA 553 CO 0.40 -1.07 1.98 0.78 0.00 0.00 0.00 175.76 177.85 1djx h GLY 554 N 2.18 0.00 1.91 0.00 0.00 -2.02 0.12 103.07 105.27 1djx h GLY 554 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1djx h GLY 554 CO 0.60 0.00 0.00 -2.67 0.00 0.00 0.00 176.54 174.47 1djx n TRP 555 N -3.96 0.00 -1.03 5.60 4.27 -1.26 -3.91 117.44 117.15 1djx n TRP 555 Ca 0.07 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.55 1djx n TRP 555 Cb 0.57 -0.46 -0.15 0.00 -1.36 0.00 0.00 31.31 29.92 1djx n TRP 555 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1djx n ARG 556 N -1.46 1.99 0.09 -2.67 1.74 0.43 -4.50 116.66 112.29 1djx n ARG 556 Ca 0.07 -1.10 0.08 0.00 -0.77 0.00 0.00 57.85 56.13 1djx n ARG 556 Cb 0.25 -1.96 0.39 0.00 -1.02 0.00 0.00 32.46 30.11 1djx n ARG 556 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1djx n THR 557 N 2.25 1.13 1.53 0.55 -2.24 -1.25 0.25 114.28 116.50 1djx n THR 557 Ca 0.41 0.41 0.14 0.00 -2.27 0.00 0.00 64.05 62.74 1djx n THR 557 Cb 0.86 -1.33 0.56 0.00 -2.10 0.00 0.00 70.33 68.31 1djx n THR 557 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1djx n ASP 558 N -1.95 1.29 -0.89 3.42 5.75 -1.26 -0.90 116.55 122.01 1djx n ASP 558 Ca 0.01 -1.47 -0.10 0.00 -0.01 0.00 0.00 54.79 53.23 1djx n ASP 558 Cb 0.13 -0.02 -0.03 0.00 -1.03 0.00 0.00 41.12 40.17 1djx n ASP 558 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1djx n SER 559 N 0.02 -3.81 -4.66 -1.12 7.64 0.14 -4.64 113.62 107.19 1djx n SER 559 Ca 0.19 0.14 -0.30 0.00 1.01 0.00 0.00 58.87 59.91 1djx n SER 559 Cb 0.31 -2.54 0.17 0.00 -1.01 0.00 0.00 64.21 61.14 1djx n SER 559 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1djx s SER 560 N -2.76 2.85 0.18 6.43 1.04 -1.25 -4.70 113.70 115.50 1djx s SER 560 Ca 0.00 1.64 0.10 0.00 0.48 0.00 0.00 55.95 58.17 1djx s SER 560 Cb 0.00 -2.29 -0.04 0.00 0.10 0.00 0.00 66.02 63.79 1djx s SER 560 CO 0.00 -3.05 -0.20 0.20 0.98 0.00 0.00 173.24 171.17 1djx s ASN 561 N -3.08 2.96 0.45 7.02 0.01 -1.26 -4.80 114.94 116.24 1djx s ASN 561 Ca 0.65 -0.88 0.07 0.00 -0.71 0.00 0.00 52.86 51.99 1djx s ASN 561 Cb -0.20 -0.19 0.02 0.00 0.41 0.00 0.00 41.25 41.28 1djx s ASN 561 CO 0.59 0.01 0.61 -0.72 -1.51 0.00 0.00 177.10 176.08 1djx s TYR 562 N -2.01 2.77 0.02 2.20 1.13 -1.26 -4.94 117.35 115.25 1djx s TYR 562 Ca 0.18 -0.35 -0.30 0.00 -1.41 0.00 0.00 57.07 55.19 1djx s TYR 562 Cb -0.06 -2.44 -0.05 0.00 -1.10 0.00 0.00 41.96 38.32 1djx s TYR 562 CO 0.08 -0.52 1.22 0.45 -2.51 0.00 0.00 175.55 174.27 1djx s SER 563 N -4.37 7.04 0.24 -0.18 0.15 -1.26 -4.87 113.70 110.45 1djx s SER 563 Ca 0.56 1.96 0.06 0.00 0.70 0.00 0.00 55.95 59.22 1djx s SER 563 Cb -0.10 -2.57 0.25 0.00 -1.71 0.00 0.00 66.02 61.89 1djx s SER 563 CO 0.34 -0.54 1.55 1.55 1.20 0.00 0.00 173.24 177.35 1djx h PRO 564 N 7.14 0.18 -0.76 5.44 0.13 -1.97 -3.29 132.00 138.87 1djx h PRO 564 Ca -0.39 -0.13 0.15 0.00 -0.87 0.00 0.00 66.00 64.76 1djx h PRO 564 Cb 1.19 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.25 1djx h PRO 564 CO 0.84 0.75 0.30 0.28 -0.23 0.00 0.00 178.00 179.94 1djx h VAL 565 N 0.13 0.63 -0.06 1.56 2.07 -1.96 0.18 116.25 118.81 1djx h VAL 565 Ca -0.01 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.38 1djx h VAL 565 Cb 1.14 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1djx h VAL 565 CO 0.09 0.08 0.05 1.05 0.02 0.00 0.00 177.57 178.86 1djx h GLU 566 N 0.43 0.00 0.10 1.57 4.11 -1.88 0.20 114.58 119.10 1djx h GLU 566 Ca 0.42 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.54 1djx h GLU 566 Cb 0.66 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1djx h GLU 566 CO -0.42 0.00 -1.63 0.52 0.07 0.00 0.00 179.01 177.55 1djx h MET 567 N 0.00 0.21 -0.32 1.06 2.86 -0.88 -3.30 114.93 114.56 1djx h MET 567 Ca 0.03 -0.35 -0.08 0.00 -2.06 0.00 0.00 59.70 57.24 1djx h MET 567 Cb 0.12 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1djx h MET 567 CO -0.00 1.03 -0.12 -1.49 1.06 0.00 0.00 176.91 177.38 1djx h TRP 568 N 0.06 0.59 0.00 -0.22 6.55 -0.27 -1.42 115.95 121.23 1djx h TRP 568 Ca -0.28 -0.09 0.00 0.00 0.95 0.00 0.00 58.89 59.47 1djx h TRP 568 Cb 2.01 -0.16 0.00 0.00 -0.86 0.00 0.00 29.16 30.16 1djx h TRP 568 CO 0.05 0.65 0.00 0.09 -1.05 0.00 0.00 178.44 178.18 1djx n ASN 569 N -4.19 0.42 -0.77 -3.49 3.02 0.60 0.25 115.26 111.09 1djx n ASN 569 Ca 0.01 0.69 0.07 0.00 -0.03 0.00 0.00 54.58 55.32 1djx n ASN 569 Cb 0.33 -0.75 0.17 0.00 -0.61 0.00 0.00 39.78 38.92 1djx n ASN 569 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1djx n GLY 570 N -1.29 2.09 2.28 7.41 0.00 -0.80 -4.44 105.19 110.45 1djx n GLY 570 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1djx n GLY 570 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djx n GLY 571 N 0.81 0.72 3.71 -0.02 0.00 0.14 -3.65 105.19 106.90 1djx n GLY 571 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1djx n GLY 571 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djx n GLN 573 N 4.47 0.67 -3.06 0.00 0.00 -1.24 -4.30 117.38 113.93 1djx n GLN 573 Ca 0.14 0.10 -0.42 0.00 0.00 0.00 0.00 57.00 56.82 1djx n GLN 573 Cb 0.40 -1.54 0.00 0.00 0.00 0.00 0.00 30.24 29.11 1djx n GLN 573 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1djx n ILE 574 N -3.08 5.09 -2.80 -0.39 5.41 -0.76 -0.52 119.36 122.31 1djx n ILE 574 Ca -0.40 -5.85 -0.43 0.00 1.00 0.00 0.00 62.75 57.07 1djx n ILE 574 Cb 1.06 -2.11 -0.03 0.00 -0.71 0.00 0.00 39.64 37.84 1djx n ILE 574 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1djx s VAL 575 N -2.67 4.29 -0.12 1.39 1.01 -1.26 -1.36 120.40 121.69 1djx s VAL 575 Ca 0.32 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.44 1djx s VAL 575 Cb 0.04 -4.77 -0.01 0.00 0.00 0.00 0.00 36.38 31.64 1djx s VAL 575 CO 0.09 -1.57 0.99 0.00 0.00 0.00 0.00 175.10 174.60 1djx s ALA 576 N 4.08 3.42 0.40 5.51 0.00 -0.01 -4.25 121.76 130.91 1djx s ALA 576 Ca 0.28 0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.65 1djx s ALA 576 Cb -0.11 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 1djx s ALA 576 CO 0.05 -0.62 0.02 -0.51 0.00 0.00 0.00 175.76 174.70 1djx s LEU 577 N 2.06 2.90 -0.68 0.00 1.43 -0.98 -4.17 118.68 119.24 1djx s LEU 577 Ca 0.47 -1.30 -0.22 0.00 -1.03 0.00 0.00 54.13 52.05 1djx s LEU 577 Cb -0.18 -1.00 0.08 0.00 0.03 0.00 0.00 46.19 45.12 1djx s LEU 577 CO 0.17 -0.42 0.97 0.20 0.23 0.00 0.00 176.35 177.49 1djx s ASN 578 N -3.72 6.21 0.56 2.29 0.01 -1.26 0.38 114.94 119.41 1djx s ASN 578 Ca 0.35 -1.09 0.37 0.00 -0.71 0.00 0.00 52.86 51.79 1djx s ASN 578 Cb 0.08 -2.41 2.02 0.00 0.41 0.00 0.00 41.25 41.34 1djx s ASN 578 CO 0.18 -1.40 2.13 -0.26 -1.51 0.00 0.00 177.10 176.25 1djx h PHE 579 N 9.50 0.00 -0.00 2.20 -1.00 -1.92 -1.86 116.94 123.85 1djx h PHE 579 Ca -0.25 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.53 1djx h PHE 579 Cb 1.07 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.63 1djx h PHE 579 CO 0.98 0.00 -0.10 0.00 -1.61 0.00 0.00 178.31 177.57 1djx n GLN 580 N -2.82 0.39 -3.67 1.51 0.00 -1.26 -4.79 117.38 106.74 1djx n GLN 580 Ca -0.02 -0.10 -0.38 0.00 0.00 0.00 0.00 57.00 56.50 1djx n GLN 580 Cb 0.08 -1.50 -0.12 0.00 0.00 0.00 0.00 30.24 28.70 1djx n GLN 580 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1djx s THR 581 N -2.68 4.50 0.40 -0.39 2.01 -0.70 -4.98 115.64 113.80 1djx s THR 581 Ca 0.23 -0.49 -0.25 0.00 0.31 0.00 0.00 61.69 61.49 1djx s THR 581 Cb 0.20 -3.31 -0.08 0.00 0.01 0.00 0.00 72.50 69.31 1djx s THR 581 CO 0.51 0.05 1.21 -2.84 -0.69 0.00 0.00 174.62 172.86 1djx s PRO 582 N 1.59 4.03 0.00 4.92 0.02 -1.26 -4.61 135.00 139.69 1djx s PRO 582 Ca 0.04 1.93 0.00 0.00 0.02 0.00 0.00 61.00 62.99 1djx s PRO 582 Cb -0.17 -2.70 0.00 0.00 0.02 0.00 0.00 34.50 31.65 1djx s PRO 582 CO 0.06 -0.37 0.00 0.41 -0.33 0.00 0.00 177.00 176.77 1djx n GLY 583 N 0.66 1.00 0.31 0.52 0.00 -1.26 -4.94 105.19 101.47 1djx n GLY 583 Ca 0.04 -1.11 0.12 0.00 0.00 0.00 0.00 46.02 45.07 1djx n GLY 583 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1djx h PRO 584 N 0.00 0.06 -0.03 1.61 0.11 -1.97 0.17 132.00 131.95 1djx h PRO 584 Ca 0.00 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1djx h PRO 584 Cb 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 1djx h PRO 584 CO 0.00 0.04 -0.02 0.93 -0.21 0.00 0.00 178.00 178.74 1djx h GLU 585 N 0.07 0.07 0.00 1.05 3.07 -1.92 0.32 114.58 117.24 1djx h GLU 585 Ca 0.11 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 58.83 1djx h GLU 585 Cb 0.37 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 1djx h GLU 585 CO -0.01 0.50 -0.53 0.52 -1.40 0.00 0.00 179.01 178.08 1djx h MET 586 N -0.35 0.00 0.16 2.33 2.86 -1.60 -0.56 114.93 117.76 1djx h MET 586 Ca 0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1djx h MET 586 Cb 0.48 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1djx h MET 586 CO 0.01 0.53 -0.12 -0.44 1.06 0.00 0.00 176.91 177.95 1djx h ASP 587 N 0.00 -0.30 -0.21 1.22 3.32 -0.57 0.39 116.42 120.27 1djx h ASP 587 Ca -0.01 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 1djx h ASP 587 Cb 0.96 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 1djx h ASP 587 CO 0.07 -0.19 -0.12 0.58 -1.72 0.00 0.00 179.24 177.86 1djx h VAL 588 N -0.28 1.24 0.17 -1.35 2.07 -0.75 -0.87 116.25 116.47 1djx h VAL 588 Ca -0.01 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1djx h VAL 588 Cb 0.25 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1djx h VAL 588 CO -0.01 0.36 -0.08 0.22 0.02 0.00 0.00 177.57 178.09 1djx h TYR 589 N 0.55 -0.21 0.00 1.57 3.20 -0.24 -1.73 116.97 120.12 1djx h TYR 589 Ca 0.10 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1djx h TYR 589 Cb 0.53 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 1djx h TYR 589 CO 0.02 0.00 -0.05 -0.07 -1.64 0.00 0.00 178.16 176.43 1djx h LEU 590 N -0.38 0.00 -0.14 2.82 3.38 -0.10 -2.28 115.31 118.61 1djx h LEU 590 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1djx h LEU 590 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1djx h LEU 590 CO 0.04 0.05 -0.18 1.23 0.09 0.00 0.00 178.44 179.66 1djx h GLY 591 N 1.87 0.40 0.99 0.83 0.00 -0.83 -1.37 103.07 104.96 1djx h GLY 591 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1djx h GLY 591 CO 0.01 0.39 0.27 0.00 0.00 0.00 0.00 176.54 177.20 1djx n PHE 593 N -4.77 0.00 0.19 0.00 3.72 -0.88 -2.09 117.46 113.64 1djx n PHE 593 Ca 0.01 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.49 1djx n PHE 593 Cb 0.04 -0.07 0.23 0.00 -0.94 0.00 0.00 39.48 38.75 1djx n PHE 593 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1djx h GLN 594 N 0.02 0.00 -7.30 -1.08 5.75 -0.96 -3.26 115.11 108.27 1djx h GLN 594 Ca 0.00 0.00 -0.51 0.00 -0.15 0.00 0.00 58.65 57.99 1djx h GLN 594 Cb 0.07 0.00 0.15 0.00 1.07 0.00 0.00 27.48 28.77 1djx h GLN 594 CO 0.00 0.25 0.27 0.34 -2.65 0.00 0.00 178.83 177.04 1djx s ASP 595 N -6.26 3.78 -1.40 -0.69 -1.08 -0.89 -2.63 116.67 107.50 1djx s ASP 595 Ca 0.04 1.83 -0.05 0.00 -0.52 0.00 0.00 52.55 53.85 1djx s ASP 595 Cb 0.08 -2.46 0.03 0.00 -1.46 0.00 0.00 42.92 39.11 1djx s ASP 595 CO 0.68 -2.50 0.76 -3.20 0.52 0.00 0.00 175.17 171.43 1djx n ASN 596 N -3.82 -2.27 0.00 -0.34 5.15 -0.93 -1.20 115.26 111.86 1djx n ASN 596 Ca 0.09 -0.83 0.00 0.00 -0.60 0.00 0.00 54.58 53.24 1djx n ASN 596 Cb 0.53 -3.86 0.00 0.00 -0.53 0.00 0.00 39.78 35.92 1djx n ASN 596 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1djx n GLY 597 N -1.66 0.35 2.27 8.20 0.00 -0.67 -2.71 105.19 110.97 1djx n GLY 597 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 1djx n GLY 597 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djx n GLY 598 N -1.40 0.18 0.01 -0.02 0.00 -0.34 -4.67 105.19 98.94 1djx n GLY 598 Ca 0.00 -0.36 0.14 0.00 0.00 0.00 0.00 46.02 45.80 1djx n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djx n GLY 600 N 1.39 0.82 2.89 0.00 0.00 -1.26 -4.64 105.19 104.39 1djx n GLY 600 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1djx n GLY 600 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1djx s TYR 601 N -2.44 1.64 -0.20 1.61 1.51 -1.26 -1.37 117.35 116.84 1djx s TYR 601 Ca 0.00 -1.00 -0.01 0.00 -1.01 0.00 0.00 57.07 55.04 1djx s TYR 601 Cb 0.00 -1.29 0.00 0.00 -0.11 0.00 0.00 41.96 40.56 1djx s TYR 601 CO 0.00 -0.59 -0.12 0.08 -1.11 0.00 0.00 175.55 173.81 1djx s VAL 602 N 1.65 2.77 0.27 0.71 1.01 -0.65 -4.91 120.40 121.27 1djx s VAL 602 Ca 0.02 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 1djx s VAL 602 Cb -0.15 -2.22 -0.12 0.00 0.00 0.00 0.00 36.38 33.90 1djx s VAL 602 CO -0.08 0.48 1.64 -0.22 0.00 0.00 0.00 175.10 176.93 1djx s LEU 603 N 1.33 4.35 0.65 3.92 2.96 -1.26 -0.47 118.68 130.15 1djx s LEU 603 Ca 0.04 2.96 -0.13 0.00 -0.22 0.00 0.00 54.13 56.78 1djx s LEU 603 Cb -0.14 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 42.91 1djx s LEU 603 CO -0.07 -0.95 1.06 -0.54 -1.32 0.00 0.00 176.35 174.53 1djx s LYS 604 N -0.06 3.11 0.58 1.98 1.02 0.84 -4.86 119.74 122.34 1djx s LYS 604 Ca 0.67 1.08 -0.21 0.00 0.02 0.00 0.00 55.97 57.53 1djx s LYS 604 Cb -0.49 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 1djx s LYS 604 CO 0.44 -0.97 1.34 -2.14 -0.92 0.00 0.00 175.35 173.10 1djx s PRO 605 N -4.56 2.96 0.19 -1.68 0.02 -1.26 -4.83 135.00 125.84 1djx s PRO 605 Ca 0.61 2.18 -0.12 0.00 0.02 0.00 0.00 61.00 63.68 1djx s PRO 605 Cb -0.15 -2.13 0.20 0.00 0.02 0.00 0.00 34.50 32.44 1djx s PRO 605 CO 0.46 -1.31 1.73 0.00 -0.33 0.00 0.00 177.00 177.55 1djx h ALA 606 N 1.18 0.60 0.00 -1.55 0.00 -1.96 0.30 119.26 117.82 1djx h ALA 606 Ca -0.51 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1djx h ALA 606 Cb 1.31 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1djx h ALA 606 CO 0.56 -0.27 0.03 0.27 0.00 0.00 0.00 179.25 179.84 1djx h PHE 607 N 0.29 0.00 -0.12 0.00 -5.15 -1.96 0.79 116.94 110.78 1djx h PHE 607 Ca 0.26 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.03 1djx h PHE 607 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.49 1djx h PHE 607 CO -0.20 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.39 1djx n LEU 608 N -2.45 2.54 -0.53 2.10 4.77 0.10 -3.58 117.00 119.96 1djx n LEU 608 Ca -0.02 -0.94 0.06 0.00 -0.03 0.00 0.00 56.01 55.08 1djx n LEU 608 Cb 0.07 -0.07 0.15 0.00 -2.33 0.00 0.00 43.42 41.24 1djx n LEU 608 CO 0.12 0.47 0.62 0.54 -1.33 0.00 0.00 177.39 177.81 1djx n ARG 609 N 0.95 2.76 -3.54 3.23 1.74 0.27 -4.54 116.66 117.53 1djx n ARG 609 Ca 0.17 -2.20 -0.42 0.00 -0.77 0.00 0.00 57.85 54.63 1djx n ARG 609 Cb 0.50 -1.39 -0.09 0.00 -1.02 0.00 0.00 32.46 30.46 1djx n ARG 609 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1djx s ASP 610 N -1.42 5.80 0.43 0.55 2.15 -0.91 -4.95 116.67 118.32 1djx s ASP 610 Ca 0.24 -1.44 0.17 0.00 0.43 0.00 0.00 52.55 51.95 1djx s ASP 610 Cb 0.17 -2.05 0.90 0.00 -0.30 0.00 0.00 42.92 41.64 1djx s ASP 610 CO 0.10 -0.57 1.43 1.55 -0.17 0.00 0.00 175.17 177.51 1djx h PRO 611 N 8.51 0.00 -0.11 4.34 0.13 -1.90 0.18 132.00 143.15 1djx h PRO 611 Ca -0.25 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.84 1djx h PRO 611 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1djx h PRO 611 CO 0.79 0.00 -0.20 0.09 -0.23 0.00 0.00 178.00 178.46 1djx n ASN 612 N -2.28 2.35 -4.74 1.44 3.02 -1.26 -4.90 115.26 108.88 1djx n ASN 612 Ca -0.01 -3.53 -0.32 0.00 -0.03 0.00 0.00 54.58 50.69 1djx n ASN 612 Cb 0.38 -0.53 0.09 0.00 -0.61 0.00 0.00 39.78 39.11 1djx n ASN 612 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1djx s THR 613 N -3.09 2.86 -0.14 3.41 2.01 0.63 -4.91 115.64 116.40 1djx s THR 613 Ca 0.38 0.35 0.18 0.00 0.31 0.00 0.00 61.69 62.91 1djx s THR 613 Cb 0.35 -2.78 0.33 0.00 0.01 0.00 0.00 72.50 70.41 1djx s THR 613 CO -0.01 -0.30 1.20 0.35 -0.69 0.00 0.00 174.62 175.18 1djx n THR 614 N -3.10 1.94 -2.25 -0.82 -2.24 -1.26 -4.91 114.28 101.64 1djx n THR 614 Ca 0.11 -2.15 -0.41 0.00 -2.27 0.00 0.00 64.05 59.33 1djx n THR 614 Cb 0.52 -0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 1djx n THR 614 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1djx s PHE 615 N -2.81 3.25 -0.28 4.78 5.36 -1.26 -4.94 117.98 122.08 1djx s PHE 615 Ca 0.33 1.52 0.01 0.00 -0.96 0.00 0.00 56.93 57.83 1djx s PHE 615 Cb 0.28 -3.53 0.16 0.00 -0.34 0.00 0.00 43.02 39.59 1djx s PHE 615 CO 0.04 -1.37 0.43 1.21 -1.46 0.00 0.00 175.22 174.07 1djx s ASN 616 N -0.61 0.00 0.65 6.13 3.84 -1.26 -4.16 114.94 119.53 1djx s ASN 616 Ca 0.47 -0.04 0.25 0.00 0.21 0.00 0.00 52.86 53.75 1djx s ASN 616 Cb -0.37 1.29 1.31 0.00 -0.55 0.00 0.00 41.25 42.93 1djx s ASN 616 CO 0.48 -0.32 1.74 0.77 -2.79 0.00 0.00 177.10 176.98 1djx h SER 617 N 8.14 0.00 0.93 -4.21 4.64 -1.94 0.14 113.55 121.25 1djx h SER 617 Ca -0.12 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.02 1djx h SER 617 Cb 1.14 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.20 1djx h SER 617 CO 0.26 0.00 -1.14 0.03 -0.87 0.00 0.00 176.83 175.10 1djx h ARG 618 N 0.00 0.00 -2.59 4.77 2.47 -1.92 -3.40 114.38 113.70 1djx h ARG 618 Ca 0.06 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.18 1djx h ARG 618 Cb 1.06 0.00 -0.39 0.00 -1.65 0.00 0.00 29.97 28.98 1djx h ARG 618 CO -0.00 0.46 -0.84 0.00 0.56 0.00 0.00 179.97 180.15 1djx n ALA 619 N -2.36 3.05 -2.26 0.04 0.00 0.49 -5.09 120.51 114.37 1djx n ALA 619 Ca -0.06 -3.59 -0.42 0.00 0.00 0.00 0.00 53.44 49.37 1djx n ALA 619 Cb 0.85 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 1djx n ALA 619 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1djx s LEU 620 N -0.49 4.36 0.38 0.00 1.43 -1.20 -4.42 118.68 118.73 1djx s LEU 620 Ca 0.30 2.18 0.04 0.00 -1.03 0.00 0.00 54.13 55.62 1djx s LEU 620 Cb 0.02 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 1djx s LEU 620 CO -0.19 -0.61 0.09 0.42 0.23 0.00 0.00 176.35 176.29 1djx s THR 621 N 1.34 0.90 0.35 5.49 -4.23 -1.26 -5.11 115.64 113.12 1djx s THR 621 Ca 0.62 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.85 1djx s THR 621 Cb -0.33 -2.53 -0.10 0.00 1.34 0.00 0.00 72.50 70.88 1djx s THR 621 CO 0.29 0.00 1.30 -1.58 -0.54 0.00 0.00 174.62 174.09 1djx s GLN 622 N -3.80 4.28 0.00 3.99 2.00 -1.26 -4.77 119.66 120.10 1djx s GLN 622 Ca 0.28 2.20 0.00 0.00 -2.00 0.00 0.00 55.36 55.83 1djx s GLN 622 Cb 0.05 -3.01 0.00 0.00 0.80 0.00 0.00 33.01 30.85 1djx s GLN 622 CO 0.14 -0.24 0.00 0.41 -0.50 0.00 0.00 175.29 175.10 1djx n GLY 623 N 0.77 0.02 0.39 2.59 0.00 -1.26 -5.01 105.19 102.68 1djx n GLY 623 Ca 0.01 -1.03 0.21 0.00 0.00 0.00 0.00 46.02 45.21 1djx n GLY 623 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1djx h PRO 624 N 0.00 0.45 0.00 1.61 0.11 -2.02 0.13 132.00 132.27 1djx h PRO 624 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1djx h PRO 624 Cb 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.01 1djx h PRO 624 CO 0.00 0.30 0.00 0.11 -0.21 0.00 0.00 178.00 178.20 1djx h TRP 625 N 0.46 0.00 -3.62 0.65 0.09 -1.95 -3.40 115.95 108.18 1djx h TRP 625 Ca 0.61 0.00 -0.58 0.00 0.09 0.00 0.00 58.89 59.02 1djx h TRP 625 Cb 1.41 0.00 -0.08 0.00 0.08 0.00 0.00 29.16 30.56 1djx h TRP 625 CO -0.00 0.00 0.80 -0.46 0.09 0.00 0.00 178.44 178.87 1djx s TRP 626 N -3.72 2.82 -0.47 0.12 -0.11 0.44 -4.30 118.94 113.73 1djx s TRP 626 Ca -0.01 0.53 0.06 0.00 1.22 0.00 0.00 56.10 57.91 1djx s TRP 626 Cb 0.10 -4.28 0.25 0.00 -1.50 0.00 0.00 33.47 28.04 1djx s TRP 626 CO 0.42 -1.26 0.84 0.54 -4.62 0.00 0.00 176.95 172.87 1djx n ARG 627 N 7.67 0.79 -1.72 5.86 1.74 -0.10 -4.86 116.66 126.04 1djx n ARG 627 Ca 0.09 -2.05 -0.42 0.00 -0.77 0.00 0.00 57.85 54.70 1djx n ARG 627 Cb 0.49 -1.39 -0.01 0.00 -1.02 0.00 0.00 32.46 30.53 1djx n ARG 627 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1djx n PRO 628 N 1.47 2.30 -4.16 5.56 -0.02 -1.22 -4.50 135.00 134.43 1djx n PRO 628 Ca 0.11 0.81 -0.13 0.00 -2.02 0.00 0.00 63.50 62.27 1djx n PRO 628 Cb 0.62 -2.45 -0.11 0.00 -0.02 0.00 0.00 33.50 31.54 1djx n PRO 628 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1djx s GLU 629 N -1.71 0.79 -0.21 -0.52 0.41 0.47 -4.79 118.70 113.14 1djx s GLU 629 Ca 0.57 -1.15 -0.05 0.00 -0.41 0.00 0.00 54.97 53.93 1djx s GLU 629 Cb -0.55 -0.39 -0.02 0.00 -1.78 0.00 0.00 34.13 31.40 1djx s GLU 629 CO 0.61 0.04 -0.02 0.50 -0.49 0.00 0.00 175.26 175.90 1djx s ARG 630 N -2.94 3.50 -0.16 1.61 3.52 0.83 -1.42 118.95 123.89 1djx s ARG 630 Ca 0.05 -0.57 -0.03 0.00 -0.13 0.00 0.00 55.73 55.05 1djx s ARG 630 Cb -0.01 -3.06 -0.02 0.00 -1.56 0.00 0.00 34.95 30.30 1djx s ARG 630 CO -0.01 -0.10 -0.06 -1.17 -0.81 0.00 0.00 175.30 173.14 1djx s LEU 631 N 1.27 3.07 -0.11 -0.88 2.96 0.58 -1.09 118.68 124.49 1djx s LEU 631 Ca 0.03 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 1djx s LEU 631 Cb -0.14 -1.73 0.00 0.00 0.50 0.00 0.00 46.19 44.81 1djx s LEU 631 CO -0.00 0.14 -0.24 -0.13 -1.32 0.00 0.00 176.35 174.81 1djx s ARG 632 N 0.50 3.03 -0.13 1.98 0.52 0.23 -0.64 118.95 124.44 1djx s ARG 632 Ca -0.05 -0.87 0.01 0.00 -0.52 0.00 0.00 55.73 54.30 1djx s ARG 632 Cb -0.15 -2.32 0.02 0.00 0.52 0.00 0.00 34.95 33.03 1djx s ARG 632 CO 0.03 0.14 -0.16 0.08 0.02 0.00 0.00 175.30 175.42 1djx s VAL 633 N 0.43 1.61 -0.23 3.52 1.01 -0.05 -1.01 120.40 125.68 1djx s VAL 633 Ca -0.17 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 1djx s VAL 633 Cb -0.18 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 1djx s VAL 633 CO 0.07 0.46 -0.01 -0.60 0.00 0.00 0.00 175.10 175.02 1djx s ARG 634 N 1.18 3.41 -0.53 2.72 3.52 -0.23 -0.37 118.95 128.65 1djx s ARG 634 Ca -0.02 -0.61 -0.21 0.00 -0.13 0.00 0.00 55.73 54.76 1djx s ARG 634 Cb -0.14 -3.11 0.05 0.00 -1.56 0.00 0.00 34.95 30.19 1djx s ARG 634 CO -0.06 -0.22 0.77 0.42 -0.81 0.00 0.00 175.30 175.40 1djx s ILE 635 N 1.51 4.65 -0.11 4.11 -1.09 0.15 -1.66 121.20 128.76 1djx s ILE 635 Ca 0.06 -0.14 -0.04 0.00 -2.23 0.00 0.00 60.65 58.29 1djx s ILE 635 Cb -0.15 -4.41 -0.01 0.00 -1.58 0.00 0.00 42.46 36.31 1djx s ILE 635 CO -0.01 -0.94 -0.08 0.40 -1.23 0.00 0.00 174.94 173.07 1djx h ILE 636 N 5.93 0.00 -3.64 2.92 2.04 -1.58 0.40 117.51 123.58 1djx h ILE 636 Ca -0.27 -0.90 -0.08 0.00 1.00 0.00 0.00 64.86 64.61 1djx h ILE 636 Cb 1.09 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.09 1djx h ILE 636 CO 1.02 0.00 -0.08 -0.94 0.00 0.00 0.00 178.15 178.15 1djx s SER 637 N -5.40 0.06 0.07 1.72 1.04 -1.17 0.17 113.70 110.19 1djx s SER 637 Ca -0.07 -1.02 0.07 0.00 0.48 0.00 0.00 55.95 55.41 1djx s SER 637 Cb 0.01 0.63 -0.03 0.00 0.10 0.00 0.00 66.02 66.73 1djx s SER 637 CO 0.10 -1.22 -0.18 -0.83 0.98 0.00 0.00 173.24 172.09 1djx s GLY 638 N -3.05 1.03 -0.10 7.32 0.00 0.11 -0.63 107.32 111.99 1djx s GLY 638 Ca 0.23 -1.06 0.02 0.00 0.00 0.00 0.00 44.72 43.90 1djx s GLY 638 CO 0.11 -1.06 -0.17 1.20 0.00 0.00 0.00 173.10 173.18 1djx s GLN 639 N -1.59 2.35 -1.38 2.90 1.11 -0.65 -3.03 119.66 119.36 1djx s GLN 639 Ca 0.03 -0.62 -0.09 0.00 0.01 0.00 0.00 55.36 54.69 1djx s GLN 639 Cb -0.09 -1.94 0.01 0.00 -1.01 0.00 0.00 33.01 29.98 1djx s GLN 639 CO 0.03 -0.01 0.38 1.04 0.01 0.00 0.00 175.29 176.74 1djx n GLN 640 N 4.04 -1.70 -1.80 2.91 6.02 0.98 -2.55 117.38 125.28 1djx n GLN 640 Ca -0.20 0.25 -0.42 0.00 -0.01 0.00 0.00 57.00 56.62 1djx n GLN 640 Cb 0.52 -3.80 -0.03 0.00 1.02 0.00 0.00 30.24 27.95 1djx n GLN 640 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1djx s LEU 641 N -7.13 4.37 0.33 1.08 1.43 0.25 -4.09 118.68 114.92 1djx s LEU 641 Ca 0.16 2.80 -0.29 0.00 -1.03 0.00 0.00 54.13 55.77 1djx s LEU 641 Cb -0.07 -3.60 -0.12 0.00 0.03 0.00 0.00 46.19 42.42 1djx s LEU 641 CO 0.94 -0.91 1.38 -0.81 0.23 0.00 0.00 176.35 177.18 1djx n PRO 642 N 3.70 2.29 -1.90 1.29 -0.04 -1.26 -4.77 135.00 134.32 1djx n PRO 642 Ca 0.14 0.81 -0.38 0.00 -0.04 0.00 0.00 63.50 64.03 1djx n PRO 642 Cb 0.37 -2.45 -0.03 0.00 -0.04 0.00 0.00 33.50 31.34 1djx n PRO 642 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1djx s LYS 643 N -1.55 2.54 0.00 0.54 1.02 -1.26 -4.80 119.74 116.23 1djx s LYS 643 Ca 0.58 0.91 0.00 0.00 0.02 0.00 0.00 55.97 57.48 1djx s LYS 643 Cb -0.55 -4.43 0.00 0.00 -0.52 0.00 0.00 37.83 32.33 1djx s LYS 643 CO 0.59 -2.82 0.00 0.28 -0.92 0.00 0.00 175.35 172.49 1djx n VAL 644 N 7.45 0.00 -2.26 3.17 0.31 -1.26 -4.70 118.33 121.04 1djx n VAL 644 Ca 0.25 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.56 1djx n VAL 644 Cb 0.52 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 1djx n VAL 644 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1djx n ASN 645 N 1.28 -5.63 0.00 4.52 4.05 -1.26 -4.85 115.26 113.37 1djx n ASN 645 Ca 0.00 0.67 0.00 0.00 0.45 0.00 0.00 54.58 55.70 1djx n ASN 645 Cb 0.00 -3.64 0.00 0.00 1.23 0.00 0.00 39.78 37.37 1djx n ASN 645 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1djx n LYS 646 N 0.13 0.00 0.00 1.20 3.00 -1.26 -5.12 118.16 116.11 1djx n LYS 646 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 1djx n LYS 646 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.13 1djx n LYS 646 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1djx n ASN 647 N -0.37 0.00 -0.06 3.14 5.15 -1.26 -5.08 115.26 116.78 1djx n ASN 647 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1djx n ASN 647 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1djx n ASN 647 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1djx n LYS 648 N 0.00 0.00 -0.01 1.20 5.02 -1.26 -4.97 118.16 118.15 1djx n LYS 648 Ca 0.00 -0.18 0.03 0.00 -2.02 0.00 0.00 58.31 56.14 1djx n LYS 648 Cb 0.00 -0.16 -0.05 0.00 -0.02 0.00 0.00 35.03 34.80 1djx n LYS 648 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1djx n ASN 649 N 0.00 3.51 -4.85 4.39 5.15 -1.26 -5.01 115.26 117.19 1djx n ASN 649 Ca 0.00 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.65 1djx n ASN 649 Cb 0.51 1.25 -0.06 0.00 -0.53 0.00 0.00 39.78 40.94 1djx n ASN 649 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1djx s SER 650 N -2.83 6.78 -0.06 1.20 0.15 -1.26 -5.07 113.70 112.61 1djx s SER 650 Ca -0.02 1.23 0.00 0.00 0.70 0.00 0.00 55.95 57.86 1djx s SER 650 Cb 0.04 -2.35 -0.03 0.00 -1.71 0.00 0.00 66.02 61.97 1djx s SER 650 CO 0.27 -0.15 -0.04 -0.63 1.20 0.00 0.00 173.24 173.89 1djx s ILE 651 N -1.89 3.90 0.72 6.45 -1.09 -1.26 -4.98 121.20 123.05 1djx s ILE 651 Ca 0.51 -0.45 -0.16 0.00 -2.23 0.00 0.00 60.65 58.33 1djx s ILE 651 Cb -0.11 -2.63 0.00 0.00 -1.58 0.00 0.00 42.46 38.15 1djx s ILE 651 CO 0.18 0.57 0.96 0.52 -1.23 0.00 0.00 174.94 175.94 1djx n VAL 652 N 2.08 2.81 -3.57 2.92 0.31 -1.26 -4.40 118.33 117.22 1djx n VAL 652 Ca -0.18 -0.37 -0.27 0.00 -0.01 0.00 0.00 64.34 63.51 1djx n VAL 652 Cb 0.53 -1.09 -0.10 0.00 -0.91 0.00 0.00 33.84 32.27 1djx n VAL 652 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1djx n ASP 653 N -1.63 1.84 -4.79 4.52 8.00 -1.26 -0.74 116.55 122.49 1djx n ASP 653 Ca 0.13 -2.96 -0.35 0.00 0.71 0.00 0.00 54.79 52.32 1djx n ASP 653 Cb 0.49 -0.67 -0.02 0.00 -0.02 0.00 0.00 41.12 40.90 1djx n ASP 653 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1djx s PRO 654 N -1.23 3.68 0.02 -0.24 0.04 -1.01 -0.90 135.00 135.35 1djx s PRO 654 Ca 0.32 1.49 -0.10 0.00 0.04 0.00 0.00 61.00 62.75 1djx s PRO 654 Cb 0.05 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.47 1djx s PRO 654 CO -0.14 -0.56 0.20 -1.59 0.04 0.00 0.00 177.00 174.95 1djx s LYS 655 N -3.14 0.61 0.01 4.56 -2.85 -0.68 -0.88 119.74 117.37 1djx s LYS 655 Ca 0.68 -0.47 0.08 0.00 -1.00 0.00 0.00 55.97 55.26 1djx s LYS 655 Cb -0.20 0.26 -0.02 0.00 -2.06 0.00 0.00 37.83 35.80 1djx s LYS 655 CO 0.24 -0.17 -0.25 0.08 0.10 0.00 0.00 175.35 175.35 1djx s VAL 656 N -1.92 2.02 -0.04 1.79 1.01 -1.26 -1.41 120.40 120.59 1djx s VAL 656 Ca -0.10 -1.21 0.07 0.00 0.00 0.00 0.00 61.98 60.74 1djx s VAL 656 Cb -0.04 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 1djx s VAL 656 CO -0.00 0.46 -0.24 -0.63 0.00 0.00 0.00 175.10 174.68 1djx s ILE 657 N -0.69 1.95 -0.08 2.22 1.01 0.12 -0.46 121.20 125.27 1djx s ILE 657 Ca 0.10 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 59.75 1djx s ILE 657 Cb -0.10 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.74 1djx s ILE 657 CO 0.00 0.55 -0.19 -0.69 0.00 0.00 0.00 174.94 174.61 1djx s VAL 658 N -0.38 1.67 0.06 2.92 1.01 0.21 -0.63 120.40 125.26 1djx s VAL 658 Ca 0.04 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.27 1djx s VAL 658 Cb -0.11 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1djx s VAL 658 CO 0.01 0.47 -0.15 -1.61 0.00 0.00 0.00 175.10 173.82 1djx s GLU 659 N 0.39 0.92 -0.18 2.72 2.02 0.55 -0.92 118.70 124.20 1djx s GLU 659 Ca -0.15 -0.89 -0.05 0.00 0.02 0.00 0.00 54.97 53.91 1djx s GLU 659 Cb -0.16 -0.95 -0.03 0.00 0.10 0.00 0.00 34.13 33.09 1djx s GLU 659 CO 0.06 0.22 -0.01 0.42 0.02 0.00 0.00 175.26 175.98 1djx s ILE 660 N -1.06 4.01 -0.04 -1.63 -1.09 -0.03 -0.61 121.20 120.75 1djx s ILE 660 Ca 0.01 -0.31 0.06 0.00 -2.23 0.00 0.00 60.65 58.18 1djx s ILE 660 Cb -0.09 -2.79 -0.02 0.00 -1.58 0.00 0.00 42.46 37.98 1djx s ILE 660 CO 0.02 0.46 -0.21 -1.00 -1.23 0.00 0.00 174.94 172.98 1djx s HIS 661 N 0.63 2.52 -0.85 3.97 3.76 -0.39 -2.17 115.29 122.76 1djx s HIS 661 Ca -0.01 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.49 1djx s HIS 661 Cb -0.14 -1.59 0.00 0.00 1.11 0.00 0.00 32.58 31.96 1djx s HIS 661 CO 0.02 -0.00 0.00 0.41 -0.85 0.00 0.00 174.74 174.32 1djx n GLY 662 N 2.56 -0.76 3.76 -2.22 0.00 -1.26 -0.57 105.19 106.70 1djx n GLY 662 Ca -0.17 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 1djx n GLY 662 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1djx s VAL 663 N -4.00 2.70 0.29 1.61 -7.23 -1.26 -4.76 120.40 107.75 1djx s VAL 663 Ca 0.00 0.44 0.03 0.00 -1.81 0.00 0.00 61.98 60.64 1djx s VAL 663 Cb 0.00 -3.18 0.33 0.00 0.56 0.00 0.00 36.38 34.08 1djx s VAL 663 CO 0.00 -0.08 1.63 1.23 -0.31 0.00 0.00 175.10 177.57 1djx h GLY 664 N 1.03 1.39 2.00 2.32 0.00 -1.98 0.19 103.07 108.02 1djx h GLY 664 Ca -0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1djx h GLY 664 CO 0.56 -0.41 -0.04 -0.09 0.00 0.00 0.00 176.54 176.56 1djx h ARG 665 N 0.17 0.00 0.00 4.80 2.43 -1.90 -2.84 114.38 117.04 1djx h ARG 665 Ca 0.57 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.74 1djx h ARG 665 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1djx h ARG 665 CO -0.69 0.04 -1.07 -0.25 -1.51 0.00 0.00 179.97 176.49 1djx n ASP 666 N -3.30 0.66 -4.71 -3.80 8.00 0.65 -4.95 116.55 109.09 1djx n ASP 666 Ca -0.02 0.10 -0.43 0.00 0.71 0.00 0.00 54.79 55.15 1djx n ASP 666 Cb 0.20 0.69 -0.01 0.00 -0.02 0.00 0.00 41.12 41.97 1djx n ASP 666 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1djx n THR 667 N -2.33 1.45 -3.54 -3.53 -2.24 -1.08 -4.77 114.28 98.24 1djx n THR 667 Ca 0.01 -0.36 -0.10 0.00 -2.27 0.00 0.00 64.05 61.33 1djx n THR 667 Cb 0.50 -1.70 -0.02 0.00 -2.10 0.00 0.00 70.33 67.01 1djx n THR 667 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1djx s GLY 668 N 0.09 -0.46 -0.20 3.38 0.00 -0.92 -4.95 107.32 104.27 1djx s GLY 668 Ca 0.61 0.41 -0.17 0.00 0.00 0.00 0.00 44.72 45.57 1djx s GLY 668 CO 0.55 0.13 0.52 -0.45 0.00 0.00 0.00 173.10 173.86 1djx s SER 669 N -2.75 -0.56 0.05 1.64 0.15 -1.26 -0.85 113.70 110.12 1djx s SER 669 Ca 0.05 1.06 -0.01 0.00 0.70 0.00 0.00 55.95 57.74 1djx s SER 669 Cb -0.02 1.05 -0.04 0.00 -1.71 0.00 0.00 66.02 65.30 1djx s SER 669 CO -0.07 -0.19 -0.01 -0.13 1.20 0.00 0.00 173.24 174.04 1djx s ARG 670 N 0.48 0.61 0.02 5.44 1.81 -0.10 -4.97 118.95 122.24 1djx s ARG 670 Ca -0.02 -1.16 -0.02 0.00 -1.72 0.00 0.00 55.73 52.81 1djx s ARG 670 Cb -0.04 0.21 -0.02 0.00 -0.45 0.00 0.00 34.95 34.65 1djx s ARG 670 CO -0.02 -0.12 0.02 1.14 -0.68 0.00 0.00 175.30 175.65 1djx s GLN 671 N -3.76 0.42 0.47 3.54 -2.07 -1.26 -0.62 119.66 116.37 1djx s GLN 671 Ca 0.05 -0.64 -0.06 0.00 -1.82 0.00 0.00 55.36 52.89 1djx s GLN 671 Cb 0.07 0.16 0.10 0.00 -1.09 0.00 0.00 33.01 32.25 1djx s GLN 671 CO -0.09 -0.08 0.63 0.25 -1.32 0.00 0.00 175.29 174.68 1djx n THR 672 N 1.31 0.00 -2.34 3.63 -2.24 0.39 -4.98 114.28 110.05 1djx n THR 672 Ca -0.22 -0.59 -0.26 0.00 -2.27 0.00 0.00 64.05 60.71 1djx n THR 672 Cb 0.56 -1.58 0.14 0.00 -2.10 0.00 0.00 70.33 67.36 1djx n THR 672 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1djx s ALA 673 N -3.71 3.13 -0.07 6.98 0.00 -1.26 -4.64 121.76 122.19 1djx s ALA 673 Ca 0.37 -1.57 -0.11 0.00 0.00 0.00 0.00 51.96 50.65 1djx s ALA 673 Cb -0.01 -2.28 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 1djx s ALA 673 CO 0.26 -1.89 0.28 0.08 0.00 0.00 0.00 175.76 174.48 1djx s VAL 674 N -3.46 5.27 -0.21 0.00 1.01 -1.26 -4.48 120.40 117.26 1djx s VAL 674 Ca 0.70 0.53 -0.08 0.00 0.00 0.00 0.00 61.98 63.14 1djx s VAL 674 Cb -0.04 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1djx s VAL 674 CO 0.48 0.58 0.07 -0.63 0.00 0.00 0.00 175.10 175.60 1djx s ILE 675 N -0.90 4.63 0.06 2.22 -1.09 -0.06 -4.97 121.20 121.08 1djx s ILE 675 Ca 0.19 -0.08 -0.22 0.00 -2.23 0.00 0.00 60.65 58.32 1djx s ILE 675 Cb -0.14 -3.12 -0.06 0.00 -1.58 0.00 0.00 42.46 37.55 1djx s ILE 675 CO 0.08 0.40 0.64 0.42 -1.23 0.00 0.00 174.94 175.25 1djx s THR 676 N 0.96 4.73 -1.33 2.92 -4.23 -1.26 -2.41 115.64 115.02 1djx s THR 676 Ca 0.04 1.37 -0.03 0.00 -1.18 0.00 0.00 61.69 61.89 1djx s THR 676 Cb -0.14 -3.98 0.02 0.00 1.34 0.00 0.00 72.50 69.73 1djx s THR 676 CO 0.03 0.48 0.87 0.59 -0.54 0.00 0.00 174.62 176.05 1djx n ASN 677 N 2.18 -2.53 -3.29 3.99 4.13 -0.65 -4.95 115.26 114.14 1djx n ASN 677 Ca -0.07 -0.74 -0.05 0.00 1.68 0.00 0.00 54.58 55.40 1djx n ASN 677 Cb 0.50 -4.38 -0.06 0.00 -1.54 0.00 0.00 39.78 34.30 1djx n ASN 677 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1djx s ASN 678 N -4.08 -0.21 -0.00 6.41 3.84 0.08 -4.86 114.94 116.12 1djx s ASN 678 Ca 0.18 0.35 0.08 0.00 0.21 0.00 0.00 52.86 53.67 1djx s ASN 678 Cb -0.08 1.41 -0.10 0.00 -0.55 0.00 0.00 41.25 41.92 1djx s ASN 678 CO 0.79 -0.29 0.31 0.61 -2.79 0.00 0.00 177.10 175.73 1djx n GLY 679 N 5.38 0.06 0.11 1.21 0.00 -1.26 -4.20 105.19 106.49 1djx n GLY 679 Ca -0.02 -0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 1djx n GLY 679 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1djx h PHE 680 N 0.00 0.36 -0.26 1.61 3.57 -1.87 0.72 116.94 121.07 1djx h PHE 680 Ca 0.00 -0.19 -0.26 0.00 3.53 0.00 0.00 57.97 61.05 1djx h PHE 680 Cb 0.24 -0.04 -0.20 0.00 2.79 0.00 0.00 35.95 38.74 1djx h PHE 680 CO 0.00 0.98 -0.55 0.27 -2.23 0.00 0.00 178.31 176.78 1djx n ASN 681 N -4.43 -1.30 -4.74 0.41 0.23 -1.23 -0.01 115.26 104.18 1djx n ASN 681 Ca -0.10 -2.74 -0.41 0.00 -0.53 0.00 0.00 54.58 50.81 1djx n ASN 681 Cb 0.54 0.84 0.01 0.00 -2.08 0.00 0.00 39.78 39.09 1djx n ASN 681 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1djx n PRO 682 N -0.31 2.26 -4.00 -0.53 -0.04 -1.17 -4.72 135.00 126.49 1djx n PRO 682 Ca 0.02 0.80 -0.30 0.00 -0.04 0.00 0.00 63.50 63.97 1djx n PRO 682 Cb 0.81 -2.55 -0.16 0.00 -0.04 0.00 0.00 33.50 31.56 1djx n PRO 682 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1djx s ARG 683 N -2.25 2.06 -0.26 0.54 3.52 -1.26 0.05 118.95 121.35 1djx s ARG 683 Ca 0.59 -0.77 -0.06 0.00 -0.13 0.00 0.00 55.73 55.35 1djx s ARG 683 Cb -0.48 -2.34 -0.14 0.00 -1.56 0.00 0.00 34.95 30.43 1djx s ARG 683 CO 0.60 -0.39 -0.29 0.91 -0.81 0.00 0.00 175.30 175.32 1djx n TRP 684 N 4.71 0.00 -3.81 5.12 8.01 0.13 -4.96 117.44 126.63 1djx n TRP 684 Ca -0.15 0.00 -0.27 0.00 -1.31 0.00 0.00 57.50 55.77 1djx n TRP 684 Cb 0.47 -0.96 0.04 0.00 -2.01 0.00 0.00 31.31 28.85 1djx n TRP 684 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1djx n ASP 685 N -3.74 -4.17 -4.47 -0.99 8.00 0.11 -4.96 116.55 106.32 1djx n ASP 685 Ca -0.49 -0.75 -0.33 0.00 0.71 0.00 0.00 54.79 53.93 1djx n ASP 685 Cb 0.92 -4.13 -0.13 0.00 -0.02 0.00 0.00 41.12 37.76 1djx n ASP 685 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1djx s MET 686 N -6.40 2.78 -0.02 -1.24 -1.94 -0.15 -4.92 119.30 107.40 1djx s MET 686 Ca 0.49 -0.66 0.05 0.00 -1.71 0.00 0.00 55.69 53.86 1djx s MET 686 Cb -0.24 -2.49 -0.03 0.00 2.01 0.00 0.00 34.83 34.09 1djx s MET 686 CO 0.81 0.52 -0.18 -2.00 -0.01 0.00 0.00 175.02 174.16 1djx s GLU 687 N -0.46 2.31 0.19 2.03 2.12 -1.26 0.34 118.70 123.97 1djx s GLU 687 Ca 0.06 -0.82 0.08 0.00 0.36 0.00 0.00 54.97 54.66 1djx s GLU 687 Cb -0.12 -2.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.98 1djx s GLU 687 CO 0.02 0.59 -0.16 -0.06 -0.54 0.00 0.00 175.26 175.11 1djx s PHE 688 N -0.74 1.79 -0.01 5.30 0.08 0.50 -4.97 117.98 119.93 1djx s PHE 688 Ca 0.12 -0.51 0.01 0.00 0.12 0.00 0.00 56.93 56.67 1djx s PHE 688 Cb -0.10 -0.85 0.00 0.00 -0.57 0.00 0.00 43.02 41.50 1djx s PHE 688 CO 0.01 0.37 -0.05 -2.00 -0.10 0.00 0.00 175.22 173.46 1djx s GLU 689 N -3.30 0.45 0.06 0.44 2.12 -1.26 -0.87 118.70 116.35 1djx s GLU 689 Ca 0.20 -0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.42 1djx s GLU 689 Cb -0.03 -0.46 -0.03 0.00 0.26 0.00 0.00 34.13 33.87 1djx s GLU 689 CO 0.07 0.07 -0.11 -0.06 -0.54 0.00 0.00 175.26 174.69 1djx s PHE 690 N 0.10 0.94 -0.18 5.30 0.40 0.19 -4.97 117.98 119.75 1djx s PHE 690 Ca -0.01 -0.51 -0.04 0.00 -0.60 0.00 0.00 56.93 55.78 1djx s PHE 690 Cb -0.04 -0.54 -0.02 0.00 0.51 0.00 0.00 43.02 42.93 1djx s PHE 690 CO -0.00 -0.02 -0.03 -2.00 0.70 0.00 0.00 175.22 173.87 1djx s GLU 691 N -1.81 3.58 -0.19 0.44 2.12 -1.26 -0.30 118.70 121.27 1djx s GLU 691 Ca -0.05 -0.55 0.01 0.00 0.36 0.00 0.00 54.97 54.74 1djx s GLU 691 Cb -0.09 -2.98 0.03 0.00 0.26 0.00 0.00 34.13 31.36 1djx s GLU 691 CO 0.01 0.07 -0.14 0.08 -0.54 0.00 0.00 175.26 174.75 1djx s VAL 692 N 0.81 1.79 -0.04 3.70 1.01 -0.50 -4.85 120.40 122.31 1djx s VAL 692 Ca -0.01 -0.98 0.13 0.00 0.00 0.00 0.00 61.98 61.12 1djx s VAL 692 Cb -0.14 -1.76 -0.16 0.00 0.00 0.00 0.00 36.38 34.31 1djx s VAL 692 CO 0.02 0.30 0.95 0.71 0.00 0.00 0.00 175.10 177.08 1djx h THR 693 N 6.25 0.96 -2.16 3.92 1.35 -1.85 0.13 112.91 121.51 1djx h THR 693 Ca -0.33 -2.63 -0.56 0.00 -0.55 0.00 0.00 66.41 62.34 1djx h THR 693 Cb 1.11 2.42 -0.41 0.00 -1.73 0.00 0.00 68.15 69.54 1djx h THR 693 CO 0.52 0.55 -0.82 0.52 -0.25 0.00 0.00 175.52 176.04 1djx n VAL 694 N -3.10 1.69 -0.25 6.82 0.31 -1.26 -0.93 118.33 121.62 1djx n VAL 694 Ca -0.09 -5.07 0.25 0.00 -0.01 0.00 0.00 64.34 59.42 1djx n VAL 694 Cb 0.93 -1.38 0.61 0.00 -0.91 0.00 0.00 33.84 33.09 1djx n VAL 694 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1djx h PRO 695 N 3.39 0.22 0.00 5.55 0.13 -1.79 -0.75 132.00 138.75 1djx h PRO 695 Ca 0.13 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1djx h PRO 695 Cb 0.69 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1djx h PRO 695 CO 0.71 0.14 0.00 -0.25 -0.23 0.00 0.00 178.00 178.37 1djx n ASP 696 N -4.42 0.34 -0.19 1.44 8.00 -1.26 -0.83 116.55 119.63 1djx n ASP 696 Ca 0.21 0.65 0.02 0.00 0.71 0.00 0.00 54.79 56.38 1djx n ASP 696 Cb 0.89 -0.70 0.03 0.00 -0.02 0.00 0.00 41.12 41.32 1djx n ASP 696 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1djx n LEU 697 N -1.95 1.82 -4.92 0.64 4.77 -0.29 -4.86 117.00 112.21 1djx n LEU 697 Ca -0.01 -1.50 -0.27 0.00 -0.03 0.00 0.00 56.01 54.20 1djx n LEU 697 Cb 0.03 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 1djx n LEU 697 CO 0.06 0.44 0.12 0.00 -1.33 0.00 0.00 177.39 176.68 1djx s ALA 698 N -0.66 3.73 0.01 -1.18 0.00 -0.01 -4.35 121.76 119.30 1djx s ALA 698 Ca 0.06 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1djx s ALA 698 Cb 0.04 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 1djx s ALA 698 CO 0.05 0.27 -0.02 -0.51 0.00 0.00 0.00 175.76 175.55 1djx s LEU 699 N -3.62 2.12 -0.12 0.00 1.02 0.27 -0.76 118.68 117.59 1djx s LEU 699 Ca 0.41 -0.25 0.00 0.00 0.02 0.00 0.00 54.13 54.30 1djx s LEU 699 Cb -0.11 0.05 -0.02 0.00 0.02 0.00 0.00 46.19 46.13 1djx s LEU 699 CO 0.31 -0.15 -0.12 -0.69 0.02 0.00 0.00 176.35 175.72 1djx s VAL 700 N -0.74 3.18 -0.03 -1.59 1.01 0.13 -1.26 120.40 121.09 1djx s VAL 700 Ca -0.08 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.33 1djx s VAL 700 Cb -0.05 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 1djx s VAL 700 CO -0.00 0.53 -0.21 -0.60 0.00 0.00 0.00 175.10 174.82 1djx s ARG 701 N 0.15 1.89 -0.19 2.72 3.52 0.22 -0.15 118.95 127.11 1djx s ARG 701 Ca -0.06 -0.74 -0.02 0.00 -0.13 0.00 0.00 55.73 54.78 1djx s ARG 701 Cb -0.15 -1.72 -0.01 0.00 -1.56 0.00 0.00 34.95 31.52 1djx s ARG 701 CO 0.05 0.37 -0.10 -0.06 -0.81 0.00 0.00 175.30 174.75 1djx s PHE 702 N -0.27 2.88 -0.04 5.12 0.40 0.13 -0.33 117.98 125.87 1djx s PHE 702 Ca 0.02 -0.96 0.04 0.00 -0.60 0.00 0.00 56.93 55.44 1djx s PHE 702 Cb -0.10 -1.99 -0.00 0.00 0.51 0.00 0.00 43.02 41.43 1djx s PHE 702 CO 0.01 -0.48 -0.16 1.41 0.70 0.00 0.00 175.22 176.70 1djx s MET 703 N 1.09 1.72 -0.13 0.44 1.75 0.20 -0.74 119.30 123.63 1djx s MET 703 Ca 0.00 -0.57 -0.01 0.00 -1.25 0.00 0.00 55.69 53.87 1djx s MET 703 Cb -0.15 -1.49 -0.02 0.00 2.84 0.00 0.00 34.83 36.02 1djx s MET 703 CO -0.02 0.21 -0.11 0.08 -0.65 0.00 0.00 175.02 174.53 1djx s VAL 704 N 0.11 3.27 0.19 10.11 1.01 0.29 0.15 120.40 135.53 1djx s VAL 704 Ca -0.05 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.44 1djx s VAL 704 Cb -0.12 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1djx s VAL 704 CO 0.02 0.53 -0.20 -1.61 0.00 0.00 0.00 175.10 173.84 1djx s GLU 705 N 0.20 1.39 -0.43 2.72 2.02 -0.50 -0.17 118.70 123.93 1djx s GLU 705 Ca -0.07 -1.49 -0.17 0.00 0.02 0.00 0.00 54.97 53.27 1djx s GLU 705 Cb -0.15 -1.50 0.03 0.00 0.10 0.00 0.00 34.13 32.61 1djx s GLU 705 CO 0.04 0.31 0.42 0.34 0.02 0.00 0.00 175.26 176.39 1djx s ASP 706 N -2.80 6.17 0.44 -0.19 -1.08 0.52 -1.69 116.67 118.05 1djx s ASP 706 Ca 0.19 -0.82 -0.25 0.00 -0.52 0.00 0.00 52.55 51.15 1djx s ASP 706 Cb -0.06 -2.21 -0.08 0.00 -1.46 0.00 0.00 42.92 39.11 1djx s ASP 706 CO 0.08 -0.59 1.33 -0.47 0.52 0.00 0.00 175.17 176.04 1djx s TYR 707 N 2.02 2.66 -0.22 -5.34 5.04 -0.08 -0.87 117.35 120.56 1djx s TYR 707 Ca 0.10 1.38 -0.04 0.00 -2.44 0.00 0.00 57.07 56.07 1djx s TYR 707 Cb -0.19 -3.72 0.11 0.00 0.35 0.00 0.00 41.96 38.52 1djx s TYR 707 CO 0.12 -2.36 0.37 0.34 -1.34 0.00 0.00 175.55 172.68 1djx s ASP 708 N -0.77 0.20 0.10 4.32 -1.08 -1.26 -4.65 116.67 113.53 1djx s ASP 708 Ca 0.61 0.43 -0.23 0.00 -0.52 0.00 0.00 52.55 52.83 1djx s ASP 708 Cb -0.39 1.08 -0.10 0.00 -1.46 0.00 0.00 42.92 42.06 1djx s ASP 708 CO 0.49 -0.28 1.70 0.77 0.52 0.00 0.00 175.17 178.38 1djx h SER 709 N 8.20 -0.23 0.85 -0.34 4.64 -1.95 -3.22 113.55 121.50 1djx h SER 709 Ca -0.18 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.14 1djx h SER 709 Cb 1.14 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1djx h SER 709 CO 0.22 -0.12 -0.45 0.28 -0.87 0.00 0.00 176.83 175.89 1djx h SER 710 N -0.14 -1.09 -5.03 4.97 0.02 -2.03 -3.47 113.55 106.77 1djx h SER 710 Ca 0.03 0.05 -0.38 0.00 -0.84 0.00 0.00 61.79 60.65 1djx h SER 710 Cb 0.18 0.30 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 1djx h SER 710 CO -0.08 -0.73 -0.18 -1.54 -1.14 0.00 0.00 176.83 173.16 1djx n SER 711 N -5.33 2.15 -4.77 3.07 3.41 -1.22 -5.10 113.62 105.84 1djx n SER 711 Ca -0.15 -2.24 -0.40 0.00 -0.26 0.00 0.00 58.87 55.82 1djx n SER 711 Cb 0.48 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1djx n SER 711 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1djx s LYS 712 N -3.47 4.01 0.21 4.33 2.47 -1.26 -4.30 119.74 121.73 1djx s LYS 712 Ca 0.20 2.28 -0.30 0.00 -1.56 0.00 0.00 55.97 56.59 1djx s LYS 712 Cb -0.02 -2.83 -0.09 0.00 -1.46 0.00 0.00 37.83 33.43 1djx s LYS 712 CO 0.13 -0.50 1.35 -0.80 0.16 0.00 0.00 175.35 175.69 1djx s ASN 713 N -0.56 6.82 0.37 1.43 0.01 -1.26 -4.68 114.94 117.07 1djx s ASN 713 Ca 0.55 2.48 -0.26 0.00 -0.71 0.00 0.00 52.86 54.93 1djx s ASN 713 Cb -0.41 -2.61 -0.09 0.00 0.41 0.00 0.00 41.25 38.55 1djx s ASN 713 CO 0.53 -0.58 1.15 -1.81 -1.51 0.00 0.00 177.10 174.88 1djx s ASP 714 N 0.36 6.73 -0.17 -1.22 1.01 -0.05 -4.74 116.67 118.59 1djx s ASP 714 Ca 0.58 2.31 -0.24 0.00 0.71 0.00 0.00 52.55 55.91 1djx s ASP 714 Cb -0.38 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 40.91 1djx s ASP 714 CO 0.40 -0.52 0.75 0.12 0.21 0.00 0.00 175.17 176.12 1djx s PHE 715 N -1.38 3.42 -0.26 4.23 2.19 -1.26 0.20 117.98 125.12 1djx s PHE 715 Ca 0.54 1.15 -0.11 0.00 0.33 0.00 0.00 56.93 58.84 1djx s PHE 715 Cb -0.30 -2.92 -0.15 0.00 -1.31 0.00 0.00 43.02 38.34 1djx s PHE 715 CO 0.38 -0.18 -0.21 -0.89 1.83 0.00 0.00 175.22 176.15 1djx n ILE 716 N 4.62 1.54 -3.67 3.12 5.41 0.76 -4.87 119.36 126.26 1djx n ILE 716 Ca 0.02 -0.40 -0.01 0.00 1.00 0.00 0.00 62.75 63.36 1djx n ILE 716 Cb 0.49 -1.78 -0.01 0.00 -0.71 0.00 0.00 39.64 37.63 1djx n ILE 716 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1djx s GLY 717 N -5.67 -0.33 0.19 7.39 0.00 -1.06 -4.78 107.32 103.06 1djx s GLY 717 Ca -0.36 0.50 -0.20 0.00 0.00 0.00 0.00 44.72 44.66 1djx s GLY 717 CO 0.55 0.09 0.56 1.62 0.00 0.00 0.00 173.10 175.92 1djx s GLN 718 N -2.82 1.37 -0.28 2.90 -0.44 -0.60 -0.55 119.66 119.24 1djx s GLN 718 Ca 0.13 -0.73 -0.18 0.00 -2.50 0.00 0.00 55.36 52.08 1djx s GLN 718 Cb 0.02 0.55 0.08 0.00 -1.64 0.00 0.00 33.01 32.02 1djx s GLN 718 CO -0.01 -0.59 0.73 0.45 0.50 0.00 0.00 175.29 176.36 1djx s SER 719 N -2.83 -0.87 -0.12 6.67 0.15 0.08 -0.12 113.70 116.66 1djx s SER 719 Ca 0.06 1.43 0.02 0.00 0.70 0.00 0.00 55.95 58.17 1djx s SER 719 Cb -0.01 1.38 0.01 0.00 -1.71 0.00 0.00 66.02 65.68 1djx s SER 719 CO -0.06 -0.23 -0.19 -0.89 1.20 0.00 0.00 173.24 173.07 1djx s THR 720 N 1.37 1.77 -0.12 6.45 2.01 -1.26 0.20 115.64 126.06 1djx s THR 720 Ca -0.08 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.12 1djx s THR 720 Cb -0.05 -1.59 0.02 0.00 0.01 0.00 0.00 72.50 70.89 1djx s THR 720 CO -0.16 0.49 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.48 1djx s ILE 721 N 0.85 1.55 0.34 1.82 1.01 0.79 -4.53 121.20 123.04 1djx s ILE 721 Ca -0.08 -0.66 -0.29 0.00 0.00 0.00 0.00 60.65 59.62 1djx s ILE 721 Cb -0.15 -1.42 -0.11 0.00 0.01 0.00 0.00 42.46 40.78 1djx s ILE 721 CO -0.01 0.45 1.51 -2.65 0.00 0.00 0.00 174.94 174.25 1djx n PRO 722 N 4.34 2.64 -0.24 2.79 -0.02 -1.26 -0.70 135.00 142.54 1djx n PRO 722 Ca -0.19 0.93 -0.05 0.00 -2.02 0.00 0.00 63.50 62.18 1djx n PRO 722 Cb 0.51 -2.67 0.01 0.00 -0.02 0.00 0.00 33.50 31.33 1djx n PRO 722 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1djx h TRP 723 N 3.58 -1.02 0.00 6.00 2.91 -1.21 0.36 115.95 126.58 1djx h TRP 723 Ca -0.49 0.08 0.00 0.00 1.13 0.00 0.00 58.89 59.61 1djx h TRP 723 Cb 1.24 0.54 0.00 0.00 -0.51 0.00 0.00 29.16 30.43 1djx h TRP 723 CO 0.55 -0.39 0.00 0.09 -1.03 0.00 0.00 178.44 177.65 1djx n ASN 724 N -5.44 0.00 -0.33 2.65 3.02 -1.26 -1.35 115.26 112.56 1djx n ASN 724 Ca 0.05 -0.67 0.03 0.00 -0.03 0.00 0.00 54.58 53.96 1djx n ASN 724 Cb 0.36 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.59 1djx n ASN 724 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1djx n SER 725 N -0.87 1.99 -4.62 6.41 7.64 0.10 -4.95 113.62 119.31 1djx n SER 725 Ca 0.10 -1.59 -0.43 0.00 1.01 0.00 0.00 58.87 57.96 1djx n SER 725 Cb 0.04 -0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 1djx n SER 725 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1djx s LEU 726 N -0.75 3.81 0.38 -3.43 2.96 -0.45 -0.38 118.68 120.81 1djx s LEU 726 Ca 0.11 0.87 -0.17 0.00 -0.22 0.00 0.00 54.13 54.72 1djx s LEU 726 Cb 0.06 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.11 1djx s LEU 726 CO 0.09 -1.07 0.84 -0.54 -1.32 0.00 0.00 176.35 174.35 1djx s LYS 727 N 4.07 4.08 0.39 1.98 -0.14 -0.00 -4.93 119.74 125.18 1djx s LYS 727 Ca 0.49 0.86 0.07 0.00 -1.36 0.00 0.00 55.97 56.03 1djx s LYS 727 Cb -0.11 -2.31 0.00 0.00 -1.68 0.00 0.00 37.83 33.72 1djx s LYS 727 CO 0.23 0.05 0.52 -0.65 -0.76 0.00 0.00 175.35 174.74 1djx s GLN 728 N -3.15 2.92 1.64 1.68 -0.21 -1.26 -4.73 119.66 116.56 1djx s GLN 728 Ca 0.57 -1.17 0.00 0.00 0.02 0.00 0.00 55.36 54.78 1djx s GLN 728 Cb -0.10 -2.76 0.00 0.00 1.00 0.00 0.00 33.01 31.16 1djx s GLN 728 CO 0.17 -0.13 0.00 0.41 -2.12 0.00 0.00 175.29 173.61 1djx n GLY 729 N -1.75 -0.51 3.68 3.09 0.00 0.37 -4.49 105.19 105.59 1djx n GLY 729 Ca 0.05 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 1djx n GLY 729 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1djx s TYR 730 N 0.00 3.49 0.13 1.61 2.02 -1.26 -0.71 117.35 122.62 1djx s TYR 730 Ca 0.00 1.46 -0.09 0.00 -0.37 0.00 0.00 57.07 58.08 1djx s TYR 730 Cb 0.00 -3.10 -0.01 0.00 -0.40 0.00 0.00 41.96 38.45 1djx s TYR 730 CO 0.00 -0.20 0.23 1.03 -1.57 0.00 0.00 175.55 175.04 1djx s ARG 731 N 1.95 0.99 -0.12 -0.62 1.81 0.13 -4.94 118.95 118.15 1djx s ARG 731 Ca 0.44 -1.08 -0.01 0.00 -1.72 0.00 0.00 55.73 53.37 1djx s ARG 731 Cb -0.18 0.36 -0.02 0.00 -0.45 0.00 0.00 34.95 34.65 1djx s ARG 731 CO 0.16 -0.34 -0.08 -1.01 -0.68 0.00 0.00 175.30 173.35 1djx s HIS 732 N -3.92 2.91 -0.27 -0.53 3.76 -0.67 0.24 115.29 116.81 1djx s HIS 732 Ca 0.11 -0.31 -0.14 0.00 -0.15 0.00 0.00 55.06 54.58 1djx s HIS 732 Cb 0.04 -1.83 -0.04 0.00 1.11 0.00 0.00 32.58 31.86 1djx s HIS 732 CO -0.05 0.02 0.32 0.08 -0.85 0.00 0.00 174.74 174.25 1djx s VAL 733 N -0.03 5.22 -0.44 -0.90 1.01 0.13 -1.79 120.40 123.59 1djx s VAL 733 Ca -0.01 0.44 -0.22 0.00 0.00 0.00 0.00 61.98 62.19 1djx s VAL 733 Cb -0.14 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1djx s VAL 733 CO 0.03 0.18 0.72 -1.00 0.00 0.00 0.00 175.10 175.04 1djx s HIS 734 N 1.97 3.03 0.24 5.22 3.76 -1.26 -0.85 115.29 127.40 1djx s HIS 734 Ca 0.12 0.07 -0.30 0.00 -0.15 0.00 0.00 55.06 54.81 1djx s HIS 734 Cb -0.16 -3.52 -0.09 0.00 1.11 0.00 0.00 32.58 29.92 1djx s HIS 734 CO 0.10 -0.93 1.28 -0.51 -0.85 0.00 0.00 174.74 173.83 1djx s LEU 735 N 3.08 4.44 0.16 0.89 1.43 -0.52 -4.76 118.68 123.41 1djx s LEU 735 Ca 0.27 2.45 0.06 0.00 -1.03 0.00 0.00 54.13 55.87 1djx s LEU 735 Cb -0.13 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 1djx s LEU 735 CO 0.21 -0.47 0.09 -0.76 0.23 0.00 0.00 176.35 175.65 1djx s LEU 736 N -0.69 3.65 0.85 1.79 1.43 0.83 -2.20 118.68 124.33 1djx s LEU 736 Ca 0.53 -0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 53.30 1djx s LEU 736 Cb -0.37 -2.28 0.13 0.00 0.03 0.00 0.00 46.19 43.70 1djx s LEU 736 CO 0.42 0.08 1.20 -0.94 0.23 0.00 0.00 176.35 177.34 1djx s SER 737 N -3.02 3.99 0.35 2.29 1.04 0.94 -1.55 113.70 117.74 1djx s SER 737 Ca 0.30 0.48 0.13 0.00 0.48 0.00 0.00 55.95 57.34 1djx s SER 737 Cb -0.10 -0.81 0.97 0.00 0.10 0.00 0.00 66.02 66.18 1djx s SER 737 CO 0.22 -2.19 1.74 0.50 0.98 0.00 0.00 173.24 174.49 1djx h LYS 738 N -1.20 0.50 -0.19 4.02 3.64 -1.89 0.28 116.57 121.73 1djx h LYS 738 Ca -0.45 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1djx h LYS 738 Cb 1.29 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1djx h LYS 738 CO 0.53 0.33 0.00 0.09 -2.27 0.00 0.00 179.45 178.13 1djx n ASN 739 N -4.79 1.28 0.00 4.20 3.02 -1.26 -4.43 115.26 113.27 1djx n ASN 739 Ca 0.27 -1.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.00 1djx n ASN 739 Cb 0.80 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.85 1djx n ASN 739 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1djx n GLY 740 N 0.97 0.48 3.84 7.41 0.00 1.00 -5.02 105.19 113.87 1djx n GLY 740 Ca 0.12 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1djx n GLY 740 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1djx s ASP 741 N -2.17 6.79 0.46 1.61 1.01 -1.25 -4.72 116.67 118.40 1djx s ASP 741 Ca 0.00 1.39 -0.23 0.00 0.71 0.00 0.00 52.55 54.42 1djx s ASP 741 Cb 0.00 -2.42 -0.07 0.00 1.01 0.00 0.00 42.92 41.44 1djx s ASP 741 CO 0.00 -0.28 1.18 -1.10 0.21 0.00 0.00 175.17 175.19 1djx s GLN 742 N -3.14 3.73 -0.67 8.23 -1.52 -1.26 -0.04 119.66 124.99 1djx s GLN 742 Ca 0.56 1.81 0.05 0.00 -1.95 0.00 0.00 55.36 55.83 1djx s GLN 742 Cb -0.10 -2.42 0.16 0.00 -0.22 0.00 0.00 33.01 30.44 1djx s GLN 742 CO 0.18 -0.58 0.45 -1.01 -0.25 0.00 0.00 175.29 174.08 1djx s HIS 743 N -1.52 3.51 0.21 0.91 3.76 -0.94 -4.81 115.29 116.42 1djx s HIS 743 Ca 0.64 -3.31 0.10 0.00 -0.15 0.00 0.00 55.06 52.33 1djx s HIS 743 Cb -0.30 -2.73 0.72 0.00 1.11 0.00 0.00 32.58 31.38 1djx s HIS 743 CO 0.36 -0.58 0.95 -0.35 -0.85 0.00 0.00 174.74 174.27 1djx n PRO 744 N 2.17 -0.04 -0.00 8.40 -0.04 -1.26 -0.77 135.00 143.46 1djx n PRO 744 Ca 0.17 0.85 0.05 0.00 -0.04 0.00 0.00 63.50 64.53 1djx n PRO 744 Cb 0.34 -1.48 0.05 0.00 -0.04 0.00 0.00 33.50 32.38 1djx n PRO 744 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1djx n SER 745 N -4.47 1.91 -4.60 3.54 7.64 -1.26 -4.94 113.62 111.44 1djx n SER 745 Ca 0.21 -1.46 -0.41 0.00 1.01 0.00 0.00 58.87 58.21 1djx n SER 745 Cb 0.69 -0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.83 1djx n SER 745 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1djx s ALA 746 N -0.89 3.52 0.21 -0.43 0.00 0.05 -4.41 121.76 119.81 1djx s ALA 746 Ca 0.13 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 51.48 1djx s ALA 746 Cb 0.09 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 1djx s ALA 746 CO 0.13 -1.16 0.20 0.95 0.00 0.00 0.00 175.76 175.88 1djx s THR 747 N 2.77 0.00 0.02 0.00 -4.23 -1.06 -1.43 115.64 111.71 1djx s THR 747 Ca 0.28 -1.89 0.06 0.00 -1.18 0.00 0.00 61.69 58.97 1djx s THR 747 Cb -0.14 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 1djx s THR 747 CO 0.12 0.00 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.25 1djx s LEU 748 N -3.13 2.10 -0.24 4.79 1.43 -0.03 -1.64 118.68 121.96 1djx s LEU 748 Ca 0.36 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 52.95 1djx s LEU 748 Cb 0.05 -0.94 -0.03 0.00 0.03 0.00 0.00 46.19 45.30 1djx s LEU 748 CO 0.12 0.18 0.08 0.12 0.23 0.00 0.00 176.35 177.08 1djx s PHE 749 N -0.63 3.11 0.27 0.29 5.36 0.20 0.19 117.98 126.76 1djx s PHE 749 Ca 0.07 -0.32 0.02 0.00 -0.96 0.00 0.00 56.93 55.74 1djx s PHE 749 Cb -0.08 -2.22 -0.05 0.00 -0.34 0.00 0.00 43.02 40.32 1djx s PHE 749 CO 0.01 -0.27 0.07 0.14 -1.46 0.00 0.00 175.22 173.70 1djx s VAL 750 N 1.45 0.77 -0.11 3.12 -7.23 0.14 -1.65 120.40 116.89 1djx s VAL 750 Ca 0.06 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1djx s VAL 750 Cb -0.15 -2.63 0.02 0.00 0.56 0.00 0.00 36.38 34.18 1djx s VAL 750 CO 0.04 -0.05 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.94 1djx s LYS 751 N -3.98 1.63 -0.03 4.82 2.20 -0.67 -0.70 119.74 123.02 1djx s LYS 751 Ca 0.36 -0.31 0.05 0.00 -0.36 0.00 0.00 55.97 55.71 1djx s LYS 751 Cb 0.08 -1.59 -0.02 0.00 -1.51 0.00 0.00 37.83 34.78 1djx s LYS 751 CO 0.13 -0.21 -0.18 0.42 -0.36 0.00 0.00 175.35 175.15 1djx s ILE 752 N 1.48 2.71 -0.03 5.43 1.01 0.11 -1.07 121.20 130.83 1djx s ILE 752 Ca 0.01 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 1djx s ILE 752 Cb -0.13 -2.03 0.03 0.00 0.01 0.00 0.00 42.46 40.33 1djx s ILE 752 CO -0.06 0.56 0.06 -0.55 0.00 0.00 0.00 174.94 174.96 1djx s SER 753 N -0.76 -0.00 -0.17 3.58 0.15 -0.18 -0.48 113.70 115.84 1djx s SER 753 Ca 0.11 0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.89 1djx s SER 753 Cb -0.10 0.03 0.03 0.00 -1.71 0.00 0.00 66.02 64.27 1djx s SER 753 CO 0.00 -0.11 -0.14 -0.63 1.20 0.00 0.00 173.24 173.56 1djx s ILE 754 N 0.85 1.70 0.25 6.45 1.01 -1.26 -0.60 121.20 129.59 1djx s ILE 754 Ca -0.07 -0.80 0.11 0.00 0.00 0.00 0.00 60.65 59.89 1djx s ILE 754 Cb -0.10 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 1djx s ILE 754 CO -0.03 0.39 -0.20 -1.58 0.00 0.00 0.00 174.94 173.52 1djx s GLN 755 N 1.42 1.59 0.00 2.79 0.74 -0.25 -4.94 119.66 121.01 1djx s GLN 755 Ca 0.03 -1.68 0.06 0.00 0.05 0.00 0.00 55.36 53.82 1djx s GLN 755 Cb -0.14 -1.71 0.04 0.00 1.10 0.00 0.00 33.01 32.31 1djx s GLN 755 CO -0.10 0.33 0.67 -0.25 -0.55 0.00 0.00 175.29 175.39