============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. HIS 18 0.900 25.088 16.156 5.425 -99.200 -91.000 PHE 20 1.000 35.655 15.923 9.294 -99.200 -91.000 TYR 21 0.840 28.627 10.075 11.214 -99.200 -91.000 TYR 23 0.840 31.761 11.750 0.932 -99.200 -91.000 TYR 35 0.840 41.000 14.172 10.065 -99.200 -91.000 TYR 47 0.840 47.091 29.101 16.916 -99.200 -91.000 TRP 52 1.040 51.400 34.287 20.313 -99.200 -91.000 TRP6 52 1.020 50.791 33.796 18.083 -99.200 -91.000 PHE 57 1.000 51.629 37.590 25.272 -99.200 -91.000 TYR 60 0.840 48.530 33.894 25.846 -99.200 -91.000 HIS 82 0.900 21.008 23.522 10.118 -99.200 -91.000 TYR 83 0.840 25.733 24.008 10.575 -99.200 -91.000 TYR 89 0.840 21.060 29.302 -0.348 -99.200 -91.000 TRP 97 1.040 26.044 25.096 1.801 -99.200 -91.000 TRP6 97 1.020 24.606 26.732 2.714 -99.200 -91.000 PHE 106 1.000 29.642 26.614 12.190 -99.200 -91.000 PHE 108 1.000 19.996 33.070 11.812 -99.200 -91.000 HIS 121 0.900 37.513 26.190 12.008 -99.200 -91.000 PHE 123 1.000 37.544 20.873 12.037 -99.200 -91.000 TYR 125 0.840 35.521 14.816 1.724 -99.200 -91.000 PHE 128 1.000 33.823 25.280 0.878 -99.200 -91.000 TYR 137 0.840 32.596 35.995 9.949 -99.200 -91.000 HIS 146 0.900 30.102 43.998 16.414 -99.200 -91.000 TYR 154 0.840 27.602 42.324 13.833 -99.200 -91.000 TYR 155 0.840 18.002 40.883 19.005 -99.200 -91.000 TYR 164 0.840 27.874 36.070 21.081 -99.200 -91.000 TYR 175 0.840 41.757 22.110 -7.015 -99.200 -91.000 HIS 190 0.900 45.319 30.994 6.055 -99.200 -91.000 HIS 194 0.900 42.660 34.885 7.853 -99.200 -91.000 PHE 196 1.000 43.958 32.487 18.800 -99.200 -91.000 HIS 200 0.900 44.758 35.825 3.164 -99.200 -91.000 TYR 218 0.840 57.513 32.742 8.474 -99.200 -91.000 TYR 221 0.840 52.226 33.162 0.113 -99.200 -91.000 HIS 229 0.900 58.715 24.298 0.978 -99.200 -91.000 PHE 235 1.000 50.321 31.506 13.676 -99.200 -91.000 TYR 244 0.840 52.427 41.104 22.338 -99.200 -91.000 PHE 255 1.000 42.441 33.754 24.483 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2oi0A1 ALA 216 HA 0.07 -0.06 0.22 -0.75 4.34 3.81 2oi0A1 ALA 216 HB3 0.01 -0.01 0.05 -0.04 1.41 1.43 2oi0A1 ASP 217 H 0.12 0.14 0.10 -0.55 8.40 8.21 2oi0A1 ASP 217 HA 0.37 0.17 0.89 -0.75 4.63 5.32 2oi0A1 ASP 217 HB2 0.10 -0.05 0.03 -0.04 2.71 2.75 2oi0A1 ASP 217 HB3 0.13 0.06 0.02 -0.04 2.70 2.87 2oi0A1 PRO 218 HA 0.10 0.01 0.18 -0.51 4.44 4.22 2oi0A1 PRO 218 HB2 -0.13 -0.01 0.01 -0.04 2.28 2.11 2oi0A1 PRO 218 HB3 -0.46 0.09 -0.03 -0.04 2.02 1.58 2oi0A1 PRO 218 HG2 -0.07 0.11 0.20 -0.04 2.03 2.23 2oi0A1 PRO 218 HG3 -0.30 0.00 0.08 -0.04 2.03 1.77 2oi0A1 PRO 218 HD2 0.11 0.09 0.16 -0.04 3.68 3.99 2oi0A1 PRO 218 HD3 0.35 0.09 0.25 -0.04 3.65 4.30 2oi0A1 ASP 219 H 0.06 0.19 0.06 -0.55 8.40 8.16 2oi0A1 ASP 219 HA 0.01 0.20 0.84 -0.75 4.63 4.92 2oi0A1 ASP 219 HB2 0.04 0.10 0.07 -0.04 2.71 2.88 2oi0A1 ASP 219 HB3 0.05 0.04 0.07 -0.04 2.70 2.82 2oi0A1 PRO 220 HA -0.07 0.12 0.31 -0.51 4.44 4.29 2oi0A1 PRO 220 HB2 -0.02 0.00 -0.01 -0.04 2.28 2.22 2oi0A1 PRO 220 HB3 -0.03 0.03 0.09 -0.04 2.02 2.07 2oi0A1 PRO 220 HG2 -0.01 0.01 0.07 -0.04 2.03 2.06 2oi0A1 PRO 220 HG3 -0.03 0.09 0.05 -0.04 2.03 2.10 2oi0A1 PRO 220 HD2 -0.00 0.04 0.20 -0.04 3.68 3.87 2oi0A1 PRO 220 HD3 -0.01 0.42 0.29 -0.04 3.65 4.31 2oi0A1 MET 221 H -0.00 0.09 -0.44 -0.55 8.47 7.57 2oi0A1 MET 221 HA 0.00 0.07 0.47 -0.75 4.52 4.30 2oi0A1 MET 221 HB2 0.00 -0.05 0.02 -0.04 2.15 2.08 2oi0A1 MET 221 HB3 0.01 0.08 -0.09 -0.04 2.03 1.99 2oi0A1 MET 221 HG2 0.00 0.01 0.02 -0.04 2.63 2.62 2oi0A1 MET 221 HG3 0.01 0.02 0.11 -0.04 2.56 2.65 2oi0A1 MET 221 HE3 -0.00 -0.01 -0.01 -0.04 2.10 2.04 2oi0A1 LYS 222 H 0.02 0.46 -0.64 -0.55 8.42 7.71 2oi0A1 LYS 222 HA 0.11 0.15 0.19 -0.75 4.32 4.01 2oi0A1 LYS 222 HB2 0.07 -0.14 -0.07 -0.04 1.87 1.70 2oi0A1 LYS 222 HB3 0.12 0.07 -0.12 -0.04 1.79 1.82 2oi0A1 LYS 222 HG2 0.06 0.33 -0.04 -0.04 1.46 1.77 2oi0A1 LYS 222 HG3 0.04 -0.16 -0.74 -0.04 1.46 0.56 2oi0A1 LYS 222 HD2 0.02 -0.15 -0.08 -0.04 1.69 1.44 2oi0A1 LYS 222 HD3 0.02 0.01 0.05 -0.04 1.68 1.71 2oi0A1 LYS 222 HE2 0.01 -0.12 -0.05 -0.04 2.99 2.78 2oi0A1 LYS 222 HE3 0.00 -0.08 0.02 -0.04 2.99 2.90 2oi0A1 ASN 223 H 0.03 0.30 -0.06 -0.55 8.53 8.25 2oi0A1 ASN 223 HA 0.19 0.18 0.92 -0.75 4.76 5.29 2oi0A1 ASN 223 HB2 -0.47 0.04 0.03 -0.04 2.88 2.44 2oi0A1 ASN 223 HB3 -0.29 0.03 -0.16 -0.04 2.79 2.32 2oi0A1 ASN 223 HD21 -0.08 -0.11 0.05 -0.04 7.03 6.85 2oi0A1 ASN 223 HD22 -0.17 0.05 -0.00 -0.04 7.74 7.57 2oi0A1 THR 224 H 0.05 0.42 0.06 -0.55 8.28 8.26 2oi0A1 THR 224 HA -0.13 0.23 1.01 -0.75 4.39 4.74 2oi0A1 THR 224 HB -0.05 0.05 -0.35 -0.04 4.32 3.93 2oi0A1 THR 224 HG23 -0.07 -0.03 -0.43 -0.04 1.22 0.64 2oi0A1 CYS 225 H -0.32 0.67 0.28 -0.55 8.50 8.58 2oi0A1 CYS 225 HA -0.43 0.18 0.92 -0.75 4.58 4.49 2oi0A1 CYS 225 HB2 -1.00 0.05 0.02 -0.04 2.97 1.99 2oi0A1 CYS 225 HB3 -0.20 0.02 0.19 -0.04 2.97 2.94 2oi0A1 LYS 226 H -0.10 0.27 0.22 -0.55 8.42 8.25 2oi0A1 LYS 226 HA -0.05 0.18 0.56 -0.75 4.32 4.26 2oi0A1 LYS 226 HB2 -0.04 -0.03 0.19 -0.04 1.87 1.96 2oi0A1 LYS 226 HB3 -0.03 -0.02 0.05 -0.04 1.79 1.76 2oi0A1 LYS 226 HG2 -0.04 0.09 0.05 -0.04 1.46 1.52 2oi0A1 LYS 226 HG3 -0.02 0.03 0.02 -0.04 1.46 1.45 2oi0A1 LYS 226 HD2 -0.05 -0.07 -0.24 -0.04 1.69 1.29 2oi0A1 LYS 226 HD3 -0.03 0.07 -0.15 -0.04 1.68 1.53 2oi0A1 LYS 226 HE2 -0.02 -0.01 -0.13 -0.04 2.99 2.80 2oi0A1 LYS 226 HE3 -0.02 -0.03 -0.16 -0.04 2.99 2.74 2oi0A1 LEU 227 H -0.01 0.44 0.43 -0.55 8.37 8.68 2oi0A1 LEU 227 HA 0.02 0.35 0.98 -0.75 4.35 4.94 2oi0A1 LEU 227 HB2 0.01 0.07 -0.19 -0.04 1.64 1.49 2oi0A1 LEU 227 HB3 0.02 -0.07 -0.08 -0.04 1.64 1.46 2oi0A1 LEU 227 HG 0.10 -0.10 -0.53 -0.04 1.64 1.07 2oi0A1 LEU 227 HD13 0.11 0.05 -0.23 -0.04 0.93 0.83 2oi0A1 LEU 227 HD23 0.07 -0.02 -0.19 -0.04 0.89 0.70 2oi0A1 LEU 228 H 0.05 0.88 0.44 -0.55 8.37 9.19 2oi0A1 LEU 228 HA 0.05 0.05 0.98 -0.75 4.35 4.68 2oi0A1 LEU 228 HB2 0.03 0.08 0.05 -0.04 1.64 1.76 2oi0A1 LEU 228 HB3 0.06 0.03 0.27 -0.04 1.64 1.97 2oi0A1 LEU 228 HG 0.14 -0.11 -0.31 -0.04 1.64 1.32 2oi0A1 LEU 228 HD13 0.07 0.02 -0.09 -0.04 0.93 0.89 2oi0A1 LEU 228 HD23 0.02 0.02 -0.17 -0.04 0.89 0.71 2oi0A1 VAL 229 H 0.08 0.77 0.36 -0.55 8.24 8.90 2oi0A1 VAL 229 HA 0.24 0.24 1.04 -0.75 4.13 4.90 2oi0A1 VAL 229 HB 0.05 0.03 0.25 -0.04 2.12 2.41 2oi0A1 VAL 229 HG13 0.02 -0.03 -0.17 -0.04 0.97 0.75 2oi0A1 VAL 229 HG23 0.12 0.00 -0.14 -0.04 0.95 0.89 2oi0A1 VAL 230 H 0.21 0.74 0.37 -0.55 8.24 9.01 2oi0A1 VAL 230 HA 0.12 0.27 1.11 -0.75 4.13 4.88 2oi0A1 VAL 230 HB 0.08 -0.06 0.08 -0.04 2.12 2.18 2oi0A1 VAL 230 HG13 0.30 -0.01 -0.15 -0.04 0.97 1.06 2oi0A1 VAL 230 HG23 0.27 0.01 -0.24 -0.04 0.95 0.95 2oi0A1 ALA 231 H 0.08 0.65 0.30 -0.55 8.40 8.89 2oi0A1 ALA 231 HA -0.03 0.27 1.15 -0.75 4.34 4.99 2oi0A1 ALA 231 HB3 0.05 -0.02 0.03 -0.04 1.41 1.43 2oi0A1 ASP 232 H 0.12 0.37 0.25 -0.55 8.40 8.60 2oi0A1 ASP 232 HA 0.14 0.16 0.64 -0.75 4.63 4.82 2oi0A1 ASP 232 HB2 0.09 0.03 0.18 -0.04 2.71 2.97 2oi0A1 ASP 232 HB3 0.16 0.07 0.06 -0.04 2.70 2.95 2oi0A1 HIS 233 H 0.21 0.20 0.13 -0.55 8.41 8.40 2oi0A1 HIS 233 HA 0.17 0.31 0.29 -0.75 4.63 4.64 2oi0A1 HIS 233 HB2 0.13 0.04 -0.20 -0.04 3.26 3.19 2oi0A1 HIS 233 HB3 0.06 0.12 -0.33 -0.04 3.20 3.01 2oi0A1 HIS 233 HD2 0.14 -0.00 -0.23 -0.04 6.97 6.83 2oi0A1 HIS 233 HE1 0.14 0.42 -0.30 -0.04 7.75 7.97 2oi0A1 ARG 234 H -0.44 0.07 -0.25 -0.55 8.46 7.29 2oi0A1 ARG 234 HA 0.16 0.14 0.39 -0.75 4.34 4.28 2oi0A1 ARG 234 HB2 0.01 -0.21 0.06 -0.04 1.90 1.72 2oi0A1 ARG 234 HB3 0.07 0.18 0.06 -0.04 1.80 2.06 2oi0A1 ARG 234 HG2 -0.11 0.09 0.01 -0.04 1.67 1.62 2oi0A1 ARG 234 HG3 -0.71 -0.05 0.03 -0.04 1.67 0.90 2oi0A1 ARG 234 HD2 -0.01 -0.19 -0.06 -0.04 3.22 2.92 2oi0A1 ARG 234 HD3 0.01 0.12 -0.01 -0.04 3.22 3.30 2oi0A1 PHE 235 H 0.24 0.14 -0.18 -0.55 8.34 7.99 2oi0A1 PHE 235 HA 0.04 0.04 0.38 -0.75 4.62 4.32 2oi0A1 PHE 235 HB2 0.11 -0.02 -0.02 -0.04 3.15 3.19 2oi0A1 PHE 235 HB3 0.11 0.10 0.06 -0.04 3.06 3.28 2oi0A1 PHE 235 HD2 0.11 0.03 -0.30 -0.04 7.28 7.07 2oi0A1 PHE 235 HE2 0.03 0.04 -0.08 -0.04 7.38 7.33 2oi0A1 PHE 235 HZ -0.24 0.04 -0.11 -0.04 7.32 6.97 2oi0A1 TYR 236 H 0.37 0.56 -0.23 -0.55 8.29 8.43 2oi0A1 TYR 236 HA 0.10 -0.04 0.27 -0.75 4.56 4.14 2oi0A1 TYR 236 HB2 0.14 0.02 -0.10 -0.04 3.06 3.08 2oi0A1 TYR 236 HB3 0.12 0.17 0.08 -0.04 2.98 3.30 2oi0A1 TYR 236 HD2 0.07 0.04 -0.13 -0.04 7.15 7.08 2oi0A1 TYR 236 HE2 0.03 -0.01 -0.24 -0.04 6.85 6.59 2oi0A1 ARG 237 H 0.17 0.70 -0.12 -0.55 8.46 8.65 2oi0A1 ARG 237 HA -0.25 0.01 0.32 -0.75 4.34 3.67 2oi0A1 ARG 237 HB2 0.12 0.09 0.16 -0.04 1.90 2.22 2oi0A1 ARG 237 HB3 -0.29 -0.01 -0.08 -0.04 1.80 1.39 2oi0A1 ARG 237 HG2 0.11 -0.03 -0.02 -0.04 1.67 1.69 2oi0A1 ARG 237 HG3 -0.04 -0.01 0.01 -0.04 1.67 1.58 2oi0A1 ARG 237 HD2 0.21 -0.09 -0.06 -0.04 3.22 3.25 2oi0A1 ARG 237 HD3 0.34 0.36 0.11 -0.04 3.22 3.98 2oi0A1 TYR 238 H -0.05 0.42 -0.17 -0.55 8.29 7.94 2oi0A1 TYR 238 HA -0.31 0.15 0.51 -0.75 4.56 4.16 2oi0A1 TYR 238 HB2 -0.82 0.11 0.13 -0.04 3.06 2.44 2oi0A1 TYR 238 HB3 -1.23 -0.03 -0.05 -0.04 2.98 1.62 2oi0A1 TYR 238 HD2 -0.14 0.09 0.06 -0.04 7.15 7.12 2oi0A1 TYR 238 HE2 0.05 -0.01 -0.01 -0.04 6.85 6.84 2oi0A1 MET 239 H -0.49 0.51 0.11 -0.55 8.47 8.05 2oi0A1 MET 239 HA -0.47 0.18 0.76 -0.75 4.52 4.24 2oi0A1 MET 239 HB2 -1.68 0.09 0.11 -0.04 2.15 0.63 2oi0A1 MET 239 HB3 -1.16 -0.01 -0.02 -0.04 2.03 0.80 2oi0A1 MET 239 HG2 -0.74 -0.06 -0.05 -0.04 2.63 1.73 2oi0A1 MET 239 HG3 -1.03 -0.04 -0.03 -0.04 2.56 1.42 2oi0A1 MET 239 HE3 -0.38 0.01 0.00 -0.04 2.10 1.69 2oi0A1 GLY 240 H -0.33 0.39 0.06 -0.55 8.43 8.01 2oi0A1 GLY 240 HA2 -0.13 0.12 0.45 -0.51 4.01 3.94 2oi0A1 GLY 240 HA3 -0.11 -0.03 0.31 -0.51 4.01 3.67 2oi0A1 ARG 241 H -0.28 0.07 -0.75 -0.55 8.46 6.95 2oi0A1 ARG 241 HA -0.24 0.26 0.25 -0.75 4.34 3.85 2oi0A1 ARG 241 HB2 -0.14 0.04 -0.06 -0.04 1.90 1.70 2oi0A1 ARG 241 HB3 -0.14 -0.03 0.12 -0.04 1.80 1.71 2oi0A1 ARG 241 HG2 -0.16 0.12 -0.15 -0.04 1.67 1.44 2oi0A1 ARG 241 HG3 -0.14 0.03 -0.50 -0.04 1.67 1.01 2oi0A1 ARG 241 HD2 -0.09 -0.02 -0.03 -0.04 3.22 3.05 2oi0A1 ARG 241 HD3 -0.08 0.00 -0.05 -0.04 3.22 3.05 2oi0A1 GLY 242 H -0.50 0.60 -0.31 -0.55 8.43 7.69 2oi0A1 GLY 242 HA2 -1.26 -0.06 0.05 -0.51 4.01 2.23 2oi0A1 GLY 242 HA3 -0.37 0.07 0.38 -0.51 4.01 3.58 2oi0A1 GLU 243 H -0.30 0.64 -0.33 -0.55 8.60 8.06 2oi0A1 GLU 243 HA -0.02 0.18 0.94 -0.75 4.29 4.63 2oi0A1 GLU 243 HB2 -0.06 0.14 0.14 -0.04 2.09 2.27 2oi0A1 GLU 243 HB3 -0.01 -0.25 0.04 -0.04 1.99 1.73 2oi0A1 GLU 243 HG2 -0.04 0.02 -0.01 -0.04 2.34 2.26 2oi0A1 GLU 243 HG3 -0.09 0.22 -0.18 -0.04 2.34 2.25 2oi0A1 GLU 244 H 0.15 0.25 0.12 -0.55 8.60 8.57 2oi0A1 GLU 244 HA 0.24 0.09 0.46 -0.75 4.29 4.33 2oi0A1 GLU 244 HB2 0.14 0.08 0.11 -0.04 2.09 2.37 2oi0A1 GLU 244 HB3 0.09 -0.02 0.17 -0.04 1.99 2.19 2oi0A1 GLU 244 HG2 0.06 0.04 -0.05 -0.04 2.34 2.34 2oi0A1 GLU 244 HG3 0.08 -0.05 -0.33 -0.04 2.34 2.00 2oi0A1 SER 245 H 0.06 0.13 -0.07 -0.55 8.46 8.03 2oi0A1 SER 245 HA 0.05 0.09 0.34 -0.75 4.49 4.21 2oi0A1 SER 245 HB2 0.03 0.04 0.10 -0.04 3.95 4.08 2oi0A1 SER 245 HB3 0.02 -0.02 0.08 -0.04 3.93 3.98 2oi0A1 THR 246 H 0.02 0.10 -0.27 -0.55 8.28 7.58 2oi0A1 THR 246 HA 0.04 0.06 0.37 -0.75 4.39 4.11 2oi0A1 THR 246 HB -0.04 0.25 0.16 -0.04 4.32 4.65 2oi0A1 THR 246 HG23 -0.02 0.01 -0.07 -0.04 1.22 1.10 2oi0A1 THR 247 H 0.07 0.48 -0.16 -0.55 8.28 8.12 2oi0A1 THR 247 HA 0.16 0.03 0.39 -0.75 4.39 4.21 2oi0A1 THR 247 HB 0.20 0.09 0.15 -0.04 4.32 4.71 2oi0A1 THR 247 HG23 0.34 -0.03 -0.16 -0.04 1.22 1.33 2oi0A1 THR 248 H 0.10 0.65 -0.04 -0.55 8.28 8.44 2oi0A1 THR 248 HA 0.06 0.00 0.34 -0.75 4.39 4.04 2oi0A1 THR 248 HB 0.04 -0.02 0.02 -0.04 4.32 4.32 2oi0A1 THR 248 HG23 0.06 0.04 0.03 -0.04 1.22 1.30 2oi0A1 ASN 249 H 0.07 0.57 -0.13 -0.55 8.53 8.49 2oi0A1 ASN 249 HA 0.03 -0.00 0.42 -0.75 4.76 4.45 2oi0A1 ASN 249 HB2 0.07 0.12 0.14 -0.04 2.88 3.17 2oi0A1 ASN 249 HB3 0.04 -0.05 -0.03 -0.04 2.79 2.71 2oi0A1 ASN 249 HD21 0.02 -0.06 -0.03 -0.04 7.03 6.92 2oi0A1 ASN 249 HD22 0.03 -0.03 -0.05 -0.04 7.74 7.65 2oi0A1 TYR 250 H 0.20 0.45 -0.37 -0.55 8.29 8.01 2oi0A1 TYR 250 HA 0.03 0.02 0.34 -0.75 4.56 4.19 2oi0A1 TYR 250 HB2 0.04 0.11 0.09 -0.04 3.06 3.25 2oi0A1 TYR 250 HB3 0.14 0.10 0.10 -0.04 2.98 3.27 2oi0A1 TYR 250 HD2 0.11 0.03 -0.20 -0.04 7.15 7.05 2oi0A1 TYR 250 HE2 0.16 -0.02 -0.04 -0.04 6.85 6.91 2oi0A1 LEU 251 H 0.15 0.45 -0.12 -0.55 8.37 8.29 2oi0A1 LEU 251 HA -0.12 0.03 0.46 -0.75 4.35 3.96 2oi0A1 LEU 251 HB2 -0.06 0.07 0.09 -0.04 1.64 1.70 2oi0A1 LEU 251 HB3 -0.28 -0.04 -0.04 -0.04 1.64 1.25 2oi0A1 LEU 251 HG 0.09 0.19 0.02 -0.04 1.64 1.90 2oi0A1 LEU 251 HD13 -0.24 -0.02 -0.16 -0.04 0.93 0.46 2oi0A1 LEU 251 HD23 -1.00 -0.02 -0.09 -0.04 0.89 -0.26 2oi0A1 ILE 252 H -0.00 0.79 0.01 -0.55 8.25 8.50 2oi0A1 ILE 252 HA -0.02 -0.00 0.42 -0.75 4.18 3.82 2oi0A1 ILE 252 HB -0.00 0.08 0.11 -0.04 1.89 2.03 2oi0A1 ILE 252 HG12 -0.00 -0.05 0.02 -0.04 1.49 1.42 2oi0A1 ILE 252 HG13 0.01 0.20 0.09 -0.04 1.21 1.46 2oi0A1 ILE 252 HG23 -0.01 -0.01 -0.11 -0.04 0.93 0.76 2oi0A1 ILE 252 HD13 0.01 -0.02 -0.09 -0.04 0.88 0.74 2oi0A1 GLU 253 H -0.06 0.45 -0.36 -0.55 8.60 8.09 2oi0A1 GLU 253 HA -0.04 0.05 0.39 -0.75 4.29 3.93 2oi0A1 GLU 253 HB2 -0.11 0.21 0.15 -0.04 2.09 2.31 2oi0A1 GLU 253 HB3 -0.09 -0.06 -0.02 -0.04 1.99 1.78 2oi0A1 GLU 253 HG2 -0.03 -0.04 0.02 -0.04 2.34 2.24 2oi0A1 GLU 253 HG3 -0.03 -0.04 -0.01 -0.04 2.34 2.21 2oi0A1 LEU 254 H -0.14 0.40 -0.18 -0.55 8.37 7.90 2oi0A1 LEU 254 HA -0.07 0.02 0.52 -0.75 4.35 4.06 2oi0A1 LEU 254 HB2 -0.24 0.06 0.11 -0.04 1.64 1.54 2oi0A1 LEU 254 HB3 -0.08 0.07 0.15 -0.04 1.64 1.74 2oi0A1 LEU 254 HG 0.06 -0.05 -0.04 -0.04 1.64 1.56 2oi0A1 LEU 254 HD13 0.24 0.00 -0.15 -0.04 0.93 0.98 2oi0A1 LEU 254 HD23 0.19 -0.00 -0.34 -0.04 0.89 0.69 2oi0A1 ILE 255 H -0.03 0.63 -0.10 -0.55 8.25 8.19 2oi0A1 ILE 255 HA 0.04 0.02 0.39 -0.75 4.18 3.88 2oi0A1 ILE 255 HB -0.01 0.11 0.08 -0.04 1.89 2.03 2oi0A1 ILE 255 HG12 -0.02 0.16 0.03 -0.04 1.49 1.61 2oi0A1 ILE 255 HG13 0.02 -0.05 -0.08 -0.04 1.21 1.07 2oi0A1 ILE 255 HG23 0.01 -0.01 -0.17 -0.04 0.93 0.71 2oi0A1 ILE 255 HD13 0.13 -0.01 -0.12 -0.04 0.88 0.84 2oi0A1 ASP 256 H -0.01 0.43 -0.26 -0.55 8.40 8.01 2oi0A1 ASP 256 HA 0.01 0.05 0.48 -0.75 4.63 4.41 2oi0A1 ASP 256 HB2 -0.01 0.11 0.18 -0.04 2.71 2.95 2oi0A1 ASP 256 HB3 -0.00 -0.04 -0.01 -0.04 2.70 2.61 2oi0A1 ARG 257 H -0.00 0.47 -0.18 -0.55 8.46 8.20 2oi0A1 ARG 257 HA 0.02 0.02 0.40 -0.75 4.34 4.03 2oi0A1 ARG 257 HB2 0.00 0.08 0.18 -0.04 1.90 2.13 2oi0A1 ARG 257 HB3 0.01 -0.05 0.04 -0.04 1.80 1.76 2oi0A1 ARG 257 HG2 -0.00 -0.04 0.02 -0.04 1.67 1.60 2oi0A1 ARG 257 HG3 -0.02 0.25 0.12 -0.04 1.67 1.98 2oi0A1 ARG 257 HD2 -0.01 -0.04 -0.02 -0.04 3.22 3.11 2oi0A1 ARG 257 HD3 -0.03 -0.04 -0.03 -0.04 3.22 3.08 2oi0A1 VAL 258 H 0.05 0.56 -0.13 -0.55 8.24 8.18 2oi0A1 VAL 258 HA 0.14 0.05 0.52 -0.75 4.13 4.09 2oi0A1 VAL 258 HB 0.07 0.05 0.12 -0.04 2.12 2.32 2oi0A1 VAL 258 HG13 0.16 -0.01 -0.21 -0.04 0.97 0.86 2oi0A1 VAL 258 HG23 0.10 0.03 0.00 -0.04 0.95 1.04 2oi0A1 ASP 259 H 0.06 0.73 -0.11 -0.55 8.40 8.53 2oi0A1 ASP 259 HA 0.09 -0.07 0.44 -0.75 4.63 4.34 2oi0A1 ASP 259 HB2 0.02 0.09 0.22 -0.04 2.71 3.00 2oi0A1 ASP 259 HB3 0.03 0.11 0.24 -0.04 2.70 3.04 2oi0A1 ASP 260 H 0.07 0.48 -0.31 -0.55 8.40 8.09 2oi0A1 ASP 260 HA 0.05 -0.02 0.38 -0.75 4.63 4.29 2oi0A1 ASP 260 HB2 0.03 0.09 0.14 -0.04 2.71 2.93 2oi0A1 ASP 260 HB3 0.04 0.10 0.09 -0.04 2.70 2.88 2oi0A1 ILE 261 H 0.10 0.38 -0.16 -0.55 8.25 8.03 2oi0A1 ILE 261 HA 0.02 0.03 0.46 -0.75 4.18 3.94 2oi0A1 ILE 261 HB 0.15 0.14 0.16 -0.04 1.89 2.30 2oi0A1 ILE 261 HG12 0.00 0.02 0.08 -0.04 1.49 1.55 2oi0A1 ILE 261 HG13 0.05 0.15 0.14 -0.04 1.21 1.51 2oi0A1 ILE 261 HG23 -0.06 0.01 -0.16 -0.04 0.93 0.67 2oi0A1 ILE 261 HD13 -0.00 -0.04 -0.01 -0.04 0.88 0.78 2oi0A1 TYR 262 H 0.35 0.36 -0.19 -0.55 8.29 8.26 2oi0A1 TYR 262 HA 0.19 -0.01 0.40 -0.75 4.56 4.38 2oi0A1 TYR 262 HB2 0.07 -0.03 0.22 -0.04 3.06 3.29 2oi0A1 TYR 262 HB3 0.12 0.20 0.04 -0.04 2.98 3.30 2oi0A1 TYR 262 HD2 -0.04 0.17 -0.07 -0.04 7.15 7.17 2oi0A1 TYR 262 HE2 -0.53 -0.02 -0.10 -0.04 6.85 6.16 2oi0A1 ARG 263 H 0.17 0.65 0.11 -0.55 8.46 8.83 2oi0A1 ARG 263 HA 0.16 0.12 0.17 -0.75 4.34 4.03 2oi0A1 ARG 263 HB2 0.06 0.04 0.08 -0.04 1.90 2.04 2oi0A1 ARG 263 HB3 0.04 -0.09 -0.05 -0.04 1.80 1.66 2oi0A1 ARG 263 HG2 0.07 0.03 -0.38 -0.04 1.67 1.35 2oi0A1 ARG 263 HG3 0.08 0.09 0.02 -0.04 1.67 1.82 2oi0A1 ARG 263 HD2 0.01 0.01 -0.07 -0.04 3.22 3.13 2oi0A1 ARG 263 HD3 0.02 -0.06 -0.07 -0.04 3.22 3.08 2oi0A1 ASN 264 H 0.03 0.39 -0.39 -0.55 8.53 8.01 2oi0A1 ASN 264 HA -0.02 0.03 0.45 -0.75 4.76 4.47 2oi0A1 ASN 264 HB2 -0.01 0.23 0.09 -0.04 2.88 3.14 2oi0A1 ASN 264 HB3 -0.03 -0.08 0.12 -0.04 2.79 2.76 2oi0A1 ASN 264 HD21 0.00 -0.08 -0.01 -0.04 7.03 6.90 2oi0A1 ASN 264 HD22 -0.00 0.02 0.00 -0.04 7.74 7.72 2oi0A1 THR 265 H -0.14 0.48 -0.42 -0.55 8.28 7.66 2oi0A1 THR 265 HA -0.32 0.01 0.76 -0.75 4.39 4.09 2oi0A1 THR 265 HB -0.94 0.18 0.21 -0.04 4.32 3.72 2oi0A1 THR 265 HG23 -1.66 -0.06 -0.19 -0.04 1.22 -0.74 2oi0A1 ALA 266 H -0.26 0.18 0.08 -0.55 8.40 7.85 2oi0A1 ALA 266 HA -0.05 0.24 0.58 -0.75 4.34 4.35 2oi0A1 ALA 266 HB3 -0.02 -0.02 -0.13 -0.04 1.41 1.20 2oi0A1 TRP 267 H 0.25 0.65 0.16 -0.55 7.97 8.48 2oi0A1 TRP 267 HA 0.07 0.04 0.15 -0.75 4.62 4.13 2oi0A1 TRP 267 HB2 0.71 0.04 0.13 -0.04 3.23 4.07 2oi0A1 TRP 267 HB3 0.30 0.02 0.09 -0.04 3.23 3.60 2oi0A1 TRP 267 HD1 0.27 0.13 0.13 -0.04 7.22 7.71 2oi0A1 TRP 267 HE1 0.13 0.05 0.05 -0.04 10.20 10.40 2oi0A1 TRP 267 HE3 -0.08 -0.05 -0.01 -0.04 7.59 7.41 2oi0A1 TRP 267 HZ2 -0.30 0.05 -0.02 -0.04 7.44 7.13 2oi0A1 TRP 267 HZ3 -0.77 -0.09 -0.19 -0.04 7.13 6.04 2oi0A1 TRP 267 HH2 -1.93 -0.03 -0.09 -0.04 7.19 5.09 2oi0A1 ASP 268 H 0.31 0.03 -0.24 -0.55 8.40 7.95 2oi0A1 ASP 268 HA -0.24 0.27 0.86 -0.75 4.63 4.76 2oi0A1 ASP 268 HB2 -0.17 0.06 0.18 -0.04 2.71 2.73 2oi0A1 ASP 268 HB3 -0.29 0.12 0.08 -0.04 2.70 2.56 2oi0A1 ASN 269 H 0.02 0.63 -0.44 -0.55 8.53 8.19 2oi0A1 ASN 269 HA -0.03 0.10 0.32 -0.75 4.76 4.40 2oi0A1 ASN 269 HB2 -0.03 0.25 0.02 -0.04 2.88 3.07 2oi0A1 ASN 269 HB3 -0.02 -0.05 0.18 -0.04 2.79 2.85 2oi0A1 ASN 269 HD21 -0.04 -0.07 -0.04 -0.04 7.03 6.84 2oi0A1 ASN 269 HD22 -0.04 0.01 -0.08 -0.04 7.74 7.59 2oi0A1 ALA 270 H 0.05 -0.19 -0.97 -0.55 8.40 6.74 2oi0A1 ALA 270 HA 0.03 0.24 0.81 -0.75 4.34 4.66 2oi0A1 ALA 270 HB3 0.05 -0.00 0.08 -0.04 1.41 1.49 2oi0A1 GLY 271 H 0.14 0.10 0.10 -0.55 8.43 8.22 2oi0A1 GLY 271 HA2 0.08 0.28 0.85 -0.51 4.01 4.71 2oi0A1 GLY 271 HA3 0.09 0.05 0.27 -0.51 4.01 3.91 2oi0A1 PHE 272 H 0.33 -0.10 -0.00 -0.55 8.34 8.02 2oi0A1 PHE 272 HA 0.24 0.20 0.67 -0.75 4.62 4.98 2oi0A1 PHE 272 HB2 0.29 0.05 0.17 -0.04 3.15 3.62 2oi0A1 PHE 272 HB3 0.36 -0.29 0.24 -0.04 3.06 3.34 2oi0A1 PHE 272 HD2 0.44 -0.08 0.11 -0.04 7.28 7.72 2oi0A1 PHE 272 HE2 -0.11 0.02 -0.09 -0.04 7.38 7.16 2oi0A1 PHE 272 HZ -0.35 0.00 -0.10 -0.04 7.32 6.83 2oi0A1 LYS 273 H 0.06 0.50 0.19 -0.55 8.42 8.62 2oi0A1 LYS 273 HA 0.24 0.24 0.93 -0.75 4.32 4.97 2oi0A1 LYS 273 HB2 0.01 0.17 0.03 -0.04 1.87 2.04 2oi0A1 LYS 273 HB3 0.02 -0.11 -0.35 -0.04 1.79 1.31 2oi0A1 LYS 273 HG2 0.06 0.11 -0.23 -0.04 1.46 1.35 2oi0A1 LYS 273 HG3 0.01 0.02 -0.16 -0.04 1.46 1.29 2oi0A1 LYS 273 HD2 0.02 -0.05 -0.21 -0.04 1.69 1.41 2oi0A1 LYS 273 HD3 0.02 -0.03 -0.03 -0.04 1.68 1.60 2oi0A1 LYS 273 HE2 -0.00 -0.04 -0.07 -0.04 2.99 2.84 2oi0A1 LYS 273 HE3 -0.02 0.11 -0.18 -0.04 2.99 2.85 2oi0A1 GLY 274 H 0.07 0.78 0.35 -0.55 8.43 9.08 2oi0A1 GLY 274 HA2 -0.00 -0.01 0.38 -0.51 4.01 3.87 2oi0A1 GLY 274 HA3 -0.09 0.06 0.70 -0.51 4.01 4.17 2oi0A1 TYR 275 H 0.33 0.08 -0.14 -0.55 8.29 8.01 2oi0A1 TYR 275 HA 0.09 0.36 0.84 -0.75 4.56 5.10 2oi0A1 TYR 275 HB2 0.42 -0.02 0.07 -0.04 3.06 3.49 2oi0A1 TYR 275 HB3 0.28 0.01 -0.04 -0.04 2.98 3.19 2oi0A1 TYR 275 HD2 0.17 0.01 -0.11 -0.04 7.15 7.19 2oi0A1 TYR 275 HE2 -0.69 0.05 -0.04 -0.04 6.85 6.13 2oi0A1 GLY 276 H 0.09 0.48 0.33 -0.55 8.43 8.78 2oi0A1 GLY 276 HA2 0.13 0.14 0.78 -0.51 4.01 4.55 2oi0A1 GLY 276 HA3 0.06 0.01 0.27 -0.51 4.01 3.84 2oi0A1 ILE 277 H -0.03 0.21 0.22 -0.55 8.25 8.10 2oi0A1 ILE 277 HA -0.08 0.26 0.94 -0.75 4.18 4.55 2oi0A1 ILE 277 HB -0.05 0.03 -0.01 -0.04 1.89 1.82 2oi0A1 ILE 277 HG12 -0.11 -0.05 0.04 -0.04 1.49 1.32 2oi0A1 ILE 277 HG13 -0.04 -0.01 -0.15 -0.04 1.21 0.98 2oi0A1 ILE 277 HG23 -0.16 0.00 -0.19 -0.04 0.93 0.54 2oi0A1 ILE 277 HD13 -0.08 -0.01 -0.12 -0.04 0.88 0.63 2oi0A1 GLN 278 H -0.05 0.53 0.16 -0.55 8.47 8.56 2oi0A1 GLN 278 HA -0.01 0.11 0.80 -0.75 4.36 4.50 2oi0A1 GLN 278 HB2 -0.03 -0.02 -0.27 -0.04 2.15 1.78 2oi0A1 GLN 278 HB3 -0.02 -0.01 -0.10 -0.04 2.02 1.85 2oi0A1 GLN 278 HG2 -0.01 0.06 -0.01 -0.04 2.40 2.40 2oi0A1 GLN 278 HG3 -0.01 -0.01 0.11 -0.04 2.39 2.44 2oi0A1 GLN 278 HE21 -0.01 -0.06 0.01 -0.04 6.97 6.87 2oi0A1 GLN 278 HE22 -0.01 -0.04 0.04 -0.04 7.69 7.65 2oi0A1 ILE 279 H -0.00 0.15 0.10 -0.55 8.25 7.95 2oi0A1 ILE 279 HA 0.01 0.10 0.60 -0.75 4.18 4.14 2oi0A1 ILE 279 HB 0.00 0.00 0.09 -0.04 1.89 1.95 2oi0A1 ILE 279 HG12 0.02 0.03 -0.05 -0.04 1.49 1.45 2oi0A1 ILE 279 HG13 0.01 -0.03 -0.01 -0.04 1.21 1.14 2oi0A1 ILE 279 HG23 0.02 0.02 -0.35 -0.04 0.93 0.57 2oi0A1 ILE 279 HD13 -0.01 0.01 -0.08 -0.04 0.88 0.75 2oi0A1 GLU 280 H 0.01 0.66 0.45 -0.55 8.60 9.17 2oi0A1 GLU 280 HA -0.00 0.13 0.84 -0.75 4.29 4.51 2oi0A1 GLU 280 HB2 -0.01 -0.03 0.02 -0.04 2.09 2.03 2oi0A1 GLU 280 HB3 0.00 0.05 -0.05 -0.04 1.99 1.95 2oi0A1 GLU 280 HG2 -0.00 0.01 -0.25 -0.04 2.34 2.05 2oi0A1 GLU 280 HG3 -0.00 -0.11 0.02 -0.04 2.34 2.21 2oi0A1 GLN 281 H 0.02 0.34 0.31 -0.55 8.47 8.60 2oi0A1 GLN 281 HA 0.02 0.14 0.66 -0.75 4.36 4.42 2oi0A1 GLN 281 HB2 0.02 0.14 -0.19 -0.04 2.15 2.08 2oi0A1 GLN 281 HB3 0.03 -0.06 0.04 -0.04 2.02 1.99 2oi0A1 GLN 281 HG2 0.04 -0.07 -0.31 -0.04 2.40 2.01 2oi0A1 GLN 281 HG3 0.03 0.04 -0.02 -0.04 2.39 2.40 2oi0A1 GLN 281 HE21 0.01 0.02 -0.05 -0.04 6.97 6.91 2oi0A1 GLN 281 HE22 0.01 0.03 -0.09 -0.04 7.69 7.61 2oi0A1 ILE 282 H 0.03 0.23 0.07 -0.55 8.25 8.03 2oi0A1 ILE 282 HA 0.04 0.32 1.00 -0.75 4.18 4.80 2oi0A1 ILE 282 HB 0.03 -0.02 0.17 -0.04 1.89 2.03 2oi0A1 ILE 282 HG12 0.01 0.05 -0.11 -0.04 1.49 1.40 2oi0A1 ILE 282 HG13 0.02 -0.04 -0.27 -0.04 1.21 0.88 2oi0A1 ILE 282 HG23 0.02 -0.02 -0.18 -0.04 0.93 0.71 2oi0A1 ILE 282 HD13 0.01 -0.00 -0.04 -0.04 0.88 0.80 2oi0A1 ARG 283 H 0.07 0.83 0.25 -0.55 8.46 9.06 2oi0A1 ARG 283 HA 0.05 0.10 0.65 -0.75 4.34 4.39 2oi0A1 ARG 283 HB2 0.08 0.03 0.02 -0.04 1.90 1.99 2oi0A1 ARG 283 HB3 0.12 -0.08 0.19 -0.04 1.80 1.99 2oi0A1 ARG 283 HG2 0.10 -0.04 -0.15 -0.04 1.67 1.54 2oi0A1 ARG 283 HG3 0.06 0.03 -0.02 -0.04 1.67 1.70 2oi0A1 ARG 283 HD2 0.07 0.04 -0.05 -0.04 3.22 3.23 2oi0A1 ARG 283 HD3 0.12 -0.02 -0.06 -0.04 3.22 3.22 2oi0A1 ILE 284 H 0.03 0.24 0.17 -0.55 8.25 8.14 2oi0A1 ILE 284 HA 0.06 0.16 0.97 -0.75 4.18 4.61 2oi0A1 ILE 284 HB -0.01 -0.01 0.14 -0.04 1.89 1.96 2oi0A1 ILE 284 HG12 0.09 -0.01 -0.18 -0.04 1.49 1.35 2oi0A1 ILE 284 HG13 0.05 0.04 -0.31 -0.04 1.21 0.94 2oi0A1 ILE 284 HG23 -0.01 -0.01 -0.23 -0.04 0.93 0.64 2oi0A1 ILE 284 HD13 0.09 -0.01 -0.02 -0.04 0.88 0.90 2oi0A1 LEU 285 H 0.05 0.76 0.27 -0.55 8.37 8.90 2oi0A1 LEU 285 HA -0.03 0.09 0.72 -0.75 4.35 4.38 2oi0A1 LEU 285 HB2 0.09 -0.17 0.23 -0.04 1.64 1.75 2oi0A1 LEU 285 HB3 0.03 0.06 0.07 -0.04 1.64 1.76 2oi0A1 LEU 285 HG 0.13 0.12 -0.06 -0.04 1.64 1.79 2oi0A1 LEU 285 HD13 0.10 -0.03 -0.04 -0.04 0.93 0.92 2oi0A1 LEU 285 HD23 0.08 0.01 -0.19 -0.04 0.89 0.76 2oi0A1 LYS 286 H -0.14 0.18 0.15 -0.55 8.42 8.06 2oi0A1 LYS 286 HA -0.73 0.09 0.20 -0.75 4.32 3.12 2oi0A1 LYS 286 HB2 -0.18 0.01 0.05 -0.04 1.87 1.72 2oi0A1 LYS 286 HB3 -0.28 0.02 0.07 -0.04 1.79 1.56 2oi0A1 LYS 286 HG2 -1.14 -0.04 -0.18 -0.04 1.46 0.06 2oi0A1 LYS 286 HG3 -0.31 0.13 -0.04 -0.04 1.46 1.20 2oi0A1 LYS 286 HD2 -0.09 0.02 0.01 -0.04 1.69 1.58 2oi0A1 LYS 286 HD3 -0.06 0.00 -0.02 -0.04 1.68 1.55 2oi0A1 LYS 286 HE2 -0.07 0.06 0.02 -0.04 2.99 2.97 2oi0A1 LYS 286 HE3 0.00 -0.01 0.01 -0.04 2.99 2.95 2oi0A1 SER 287 H -0.03 0.16 -0.10 -0.55 8.46 7.94 2oi0A1 SER 287 HA 0.02 0.14 0.46 -0.75 4.49 4.36 2oi0A1 SER 287 HB2 -0.05 0.05 0.12 -0.04 3.95 4.04 2oi0A1 SER 287 HB3 -0.00 0.07 -0.06 -0.04 3.93 3.90 2oi0A1 PRO 288 HA -0.30 0.23 0.55 -0.51 4.44 4.42 2oi0A1 PRO 288 HB2 -0.17 -0.03 -0.06 -0.04 2.28 1.99 2oi0A1 PRO 288 HB3 -0.66 0.06 -0.04 -0.04 2.02 1.34 2oi0A1 PRO 288 HG2 -0.13 0.02 0.03 -0.04 2.03 1.92 2oi0A1 PRO 288 HG3 -0.19 0.05 0.05 -0.04 2.03 1.90 2oi0A1 PRO 288 HD2 -0.11 0.10 0.20 -0.04 3.68 3.83 2oi0A1 PRO 288 HD3 -0.26 0.13 0.12 -0.04 3.65 3.60 2oi0A1 GLN 289 H -0.06 0.57 0.07 -0.55 8.47 8.50 2oi0A1 GLN 289 HA -0.14 0.07 0.54 -0.75 4.36 4.08 2oi0A1 GLN 289 HB2 -0.40 -0.02 -0.05 -0.04 2.15 1.64 2oi0A1 GLN 289 HB3 -0.18 -0.12 -0.26 -0.04 2.02 1.42 2oi0A1 GLN 289 HG2 -0.87 -0.09 -0.15 -0.04 2.40 1.25 2oi0A1 GLN 289 HG3 -0.20 0.18 -0.49 -0.04 2.39 1.84 2oi0A1 GLN 289 HE21 -0.17 0.02 -0.01 -0.04 6.97 6.77 2oi0A1 GLN 289 HE22 -0.52 -0.07 -0.03 -0.04 7.69 7.03 2oi0A1 GLU 290 H -0.08 0.13 0.13 -0.55 8.60 8.24 2oi0A1 GLU 290 HA -0.03 0.04 0.51 -0.75 4.29 4.05 2oi0A1 GLU 290 HB2 -0.02 0.03 -0.01 -0.04 2.09 2.05 2oi0A1 GLU 290 HB3 -0.03 0.03 0.09 -0.04 1.99 2.04 2oi0A1 GLU 290 HG2 -0.03 0.02 0.03 -0.04 2.34 2.32 2oi0A1 GLU 290 HG3 -0.05 -0.07 0.13 -0.04 2.34 2.31 2oi0A1 VAL 291 H -0.00 0.20 0.17 -0.55 8.24 8.06 2oi0A1 VAL 291 HA 0.01 0.15 0.86 -0.75 4.13 4.40 2oi0A1 VAL 291 HB 0.04 -0.02 -0.30 -0.04 2.12 1.80 2oi0A1 VAL 291 HG13 0.03 -0.01 -0.03 -0.04 0.97 0.92 2oi0A1 VAL 291 HG23 0.04 0.11 -0.25 -0.04 0.95 0.81 2oi0A1 LYS 292 H 0.02 0.11 0.10 -0.55 8.42 8.10 2oi0A1 LYS 292 HA 0.01 0.17 0.76 -0.75 4.32 4.51 2oi0A1 LYS 292 HB2 0.02 -0.04 0.08 -0.04 1.87 1.89 2oi0A1 LYS 292 HB3 0.01 0.10 0.08 -0.04 1.79 1.94 2oi0A1 LYS 292 HG2 0.01 0.03 0.02 -0.04 1.46 1.48 2oi0A1 LYS 292 HG3 0.01 -0.05 -0.11 -0.04 1.46 1.27 2oi0A1 LYS 292 HD2 0.02 0.02 0.00 -0.04 1.69 1.69 2oi0A1 LYS 292 HD3 0.01 0.01 -0.02 -0.04 1.68 1.64 2oi0A1 LYS 292 HE2 0.01 0.01 -0.05 -0.04 2.99 2.92 2oi0A1 LYS 292 HE3 0.02 -0.06 0.03 -0.04 2.99 2.93 2oi0A1 PRO 293 HA 0.02 0.03 0.41 -0.51 4.44 4.38 2oi0A1 PRO 293 HB2 0.01 0.02 0.08 -0.04 2.28 2.35 2oi0A1 PRO 293 HB3 0.01 0.03 0.09 -0.04 2.02 2.10 2oi0A1 PRO 293 HG2 0.01 0.04 0.10 -0.04 2.03 2.14 2oi0A1 PRO 293 HG3 0.01 0.06 0.09 -0.04 2.03 2.15 2oi0A1 PRO 293 HD2 0.01 0.10 0.21 -0.04 3.68 3.95 2oi0A1 PRO 293 HD3 0.01 0.16 0.25 -0.04 3.65 4.03 2oi0A1 GLY 294 H 0.03 0.13 0.11 -0.55 8.43 8.15 2oi0A1 GLY 294 HA2 0.03 -0.03 0.39 -0.51 4.01 3.89 2oi0A1 GLY 294 HA3 0.02 0.16 0.79 -0.51 4.01 4.46 2oi0A1 GLU 295 H 0.02 0.38 -0.50 -0.55 8.60 7.95 2oi0A1 GLU 295 HA 0.01 0.02 0.35 -0.75 4.29 3.91 2oi0A1 GLU 295 HB2 0.03 0.10 0.10 -0.04 2.09 2.28 2oi0A1 GLU 295 HB3 0.05 0.01 -0.02 -0.04 1.99 1.99 2oi0A1 GLU 295 HG2 0.03 0.02 0.01 -0.04 2.34 2.36 2oi0A1 GLU 295 HG3 0.02 0.05 -0.05 -0.04 2.34 2.32 2oi0A1 LYS 296 H 0.01 0.20 0.20 -0.55 8.42 8.27 2oi0A1 LYS 296 HA 0.07 0.16 0.53 -0.75 4.32 4.33 2oi0A1 LYS 296 HB2 -0.01 -0.06 -0.01 -0.04 1.87 1.75 2oi0A1 LYS 296 HB3 -0.31 0.10 -0.06 -0.04 1.79 1.48 2oi0A1 LYS 296 HG2 -0.14 0.01 0.02 -0.04 1.46 1.32 2oi0A1 LYS 296 HG3 -0.04 -0.03 -0.14 -0.04 1.46 1.21 2oi0A1 LYS 296 HD2 -1.16 -0.05 -0.10 -0.04 1.69 0.34 2oi0A1 LYS 296 HD3 -0.84 0.06 -0.07 -0.04 1.68 0.79 2oi0A1 LYS 296 HE2 -0.09 -0.02 -0.07 -0.04 2.99 2.76 2oi0A1 LYS 296 HE3 -0.19 -0.02 -0.06 -0.04 2.99 2.68 2oi0A1 HIS 297 H 0.35 0.31 0.09 -0.55 8.41 8.62 2oi0A1 HIS 297 HA 0.19 0.16 0.58 -0.75 4.63 4.80 2oi0A1 HIS 297 HB2 0.08 0.18 -0.25 -0.04 3.26 3.24 2oi0A1 HIS 297 HB3 0.08 -0.03 -0.10 -0.04 3.20 3.10 2oi0A1 HIS 297 HD2 0.09 0.11 0.02 -0.04 6.97 7.14 2oi0A1 HIS 297 HE1 -0.36 0.04 -0.05 -0.04 7.75 7.34 2oi0A1 TYR 298 H -0.05 0.26 0.05 -0.55 8.29 7.99 2oi0A1 TYR 298 HA -0.40 0.07 0.16 -0.75 4.56 3.64 2oi0A1 TYR 298 HB2 -0.32 0.01 0.06 -0.04 3.06 2.78 2oi0A1 TYR 298 HB3 -0.22 0.02 -0.09 -0.04 2.98 2.65 2oi0A1 TYR 298 HD2 -0.20 -0.01 -0.10 -0.04 7.15 6.80 2oi0A1 TYR 298 HE2 0.04 0.02 -0.12 -0.04 6.85 6.75 2oi0A1 ASN 299 H 0.22 0.01 -0.55 -0.55 8.53 7.67 2oi0A1 ASN 299 HA 0.11 0.20 0.92 -0.75 4.76 5.24 2oi0A1 ASN 299 HB2 -0.49 -0.00 -0.01 -0.04 2.88 2.33 2oi0A1 ASN 299 HB3 -0.09 0.03 0.03 -0.04 2.79 2.71 2oi0A1 ASN 299 HD21 0.08 0.25 0.06 -0.04 7.03 7.37 2oi0A1 ASN 299 HD22 -0.04 0.01 0.02 -0.04 7.74 7.69 2oi0A1 MET 300 H 0.34 0.60 -0.14 -0.55 8.47 8.72 2oi0A1 MET 300 HA 0.08 0.10 0.58 -0.75 4.52 4.52 2oi0A1 MET 300 HB2 0.12 -0.03 0.12 -0.04 2.15 2.31 2oi0A1 MET 300 HB3 0.20 -0.08 0.07 -0.04 2.03 2.18 2oi0A1 MET 300 HG2 0.48 0.13 0.03 -0.04 2.63 3.22 2oi0A1 MET 300 HG3 0.22 0.05 -0.22 -0.04 2.56 2.56 2oi0A1 MET 300 HE3 -0.11 0.02 -0.17 -0.04 2.10 1.80 2oi0A1 ALA 301 H 0.06 0.16 0.12 -0.55 8.40 8.19 2oi0A1 ALA 301 HA 0.11 0.05 0.36 -0.75 4.34 4.11 2oi0A1 ALA 301 HB3 0.02 -0.00 0.08 -0.04 1.41 1.46 2oi0A1 LYS 302 H 0.10 -0.01 -0.12 -0.55 8.42 7.84 2oi0A1 LYS 302 HA 0.07 0.15 0.50 -0.75 4.32 4.29 2oi0A1 LYS 302 HB2 0.02 -0.05 -0.03 -0.04 1.87 1.76 2oi0A1 LYS 302 HB3 -0.02 0.10 -0.01 -0.04 1.79 1.82 2oi0A1 LYS 302 HG2 0.02 0.07 -0.01 -0.04 1.46 1.50 2oi0A1 LYS 302 HG3 0.04 -0.10 -0.05 -0.04 1.46 1.30 2oi0A1 LYS 302 HD2 0.02 -0.02 -0.02 -0.04 1.69 1.62 2oi0A1 LYS 302 HD3 -0.00 0.01 -0.03 -0.04 1.68 1.62 2oi0A1 LYS 302 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.93 2oi0A1 LYS 302 HE3 0.01 -0.01 -0.02 -0.04 2.99 2.93 2oi0A1 SER 303 H -0.00 0.20 0.06 -0.55 8.46 8.17 2oi0A1 SER 303 HA -0.29 0.07 0.54 -0.75 4.49 4.06 2oi0A1 SER 303 HB2 -0.01 -0.13 -0.84 -0.04 3.95 2.93 2oi0A1 SER 303 HB3 0.08 0.16 -0.26 -0.04 3.93 3.87 2oi0A1 TYR 304 H -1.45 0.16 0.09 -0.55 8.29 6.53 2oi0A1 TYR 304 HA -0.48 0.15 0.61 -0.75 4.56 4.08 2oi0A1 TYR 304 HB2 -1.20 0.11 -0.26 -0.04 3.06 1.67 2oi0A1 TYR 304 HB3 -2.80 -0.05 -0.04 -0.04 2.98 0.06 2oi0A1 TYR 304 HD2 -0.22 -0.01 -0.20 -0.04 7.15 6.68 2oi0A1 TYR 304 HE2 -0.04 0.02 -0.05 -0.04 6.85 6.74 2oi0A1 PRO 305 HA -1.55 0.12 0.32 -0.51 4.44 2.82 2oi0A1 PRO 305 HB2 -0.52 0.07 0.07 -0.04 2.28 1.86 2oi0A1 PRO 305 HB3 -0.98 0.05 0.07 -0.04 2.02 1.12 2oi0A1 PRO 305 HG2 -0.19 0.05 -0.00 -0.04 2.03 1.85 2oi0A1 PRO 305 HG3 -0.14 0.04 0.07 -0.04 2.03 1.97 2oi0A1 PRO 305 HD2 -0.08 0.06 0.24 -0.04 3.68 3.85 2oi0A1 PRO 305 HD3 0.02 0.06 0.41 -0.04 3.65 4.09 2oi0A1 ASN 306 H -0.21 0.17 -0.22 -0.55 8.53 7.72 2oi0A1 ASN 306 HA -0.16 0.20 0.96 -0.75 4.76 5.01 2oi0A1 ASN 306 HB2 -0.10 0.04 -0.04 -0.04 2.88 2.74 2oi0A1 ASN 306 HB3 -0.07 0.01 0.10 -0.04 2.79 2.78 2oi0A1 ASN 306 HD21 -0.04 0.04 -0.04 -0.04 7.03 6.96 2oi0A1 ASN 306 HD22 -0.04 0.02 -0.02 -0.04 7.74 7.65 2oi0A1 GLU 307 H -0.10 0.20 0.06 -0.55 8.60 8.21 2oi0A1 GLU 307 HA -0.08 0.21 0.36 -0.75 4.29 4.03 2oi0A1 GLU 307 HB2 -0.03 -0.01 0.13 -0.04 2.09 2.14 2oi0A1 GLU 307 HB3 -0.07 0.09 0.04 -0.04 1.99 2.01 2oi0A1 GLU 307 HG2 -0.06 -0.05 0.06 -0.04 2.34 2.25 2oi0A1 GLU 307 HG3 -0.03 0.02 -0.18 -0.04 2.34 2.11 2oi0A1 GLU 308 H -0.05 -0.03 -0.38 -0.55 8.60 7.60 2oi0A1 GLU 308 HA -0.01 0.19 0.73 -0.75 4.29 4.45 2oi0A1 GLU 308 HB2 -0.01 0.03 0.07 -0.04 2.09 2.14 2oi0A1 GLU 308 HB3 -0.02 -0.03 0.02 -0.04 1.99 1.92 2oi0A1 GLU 308 HG2 -0.03 -0.09 -0.08 -0.04 2.34 2.09 2oi0A1 GLU 308 HG3 -0.02 0.03 -0.39 -0.04 2.34 1.93 2oi0A1 LYS 309 H -0.03 0.20 -0.27 -0.55 8.42 7.76 2oi0A1 LYS 309 HA -0.00 0.07 0.61 -0.75 4.32 4.25 2oi0A1 LYS 309 HB2 -0.01 0.27 0.02 -0.04 1.87 2.11 2oi0A1 LYS 309 HB3 0.02 -0.13 0.07 -0.04 1.79 1.71 2oi0A1 LYS 309 HG2 -0.02 -0.10 -0.04 -0.04 1.46 1.25 2oi0A1 LYS 309 HG3 -0.00 -0.02 -0.00 -0.04 1.46 1.39 2oi0A1 LYS 309 HD2 0.01 -0.01 0.03 -0.04 1.69 1.68 2oi0A1 LYS 309 HD3 -0.01 0.02 -0.13 -0.04 1.68 1.52 2oi0A1 LYS 309 HE2 0.00 0.02 -0.02 -0.04 2.99 2.96 2oi0A1 LYS 309 HE3 -0.00 -0.01 -0.02 -0.04 2.99 2.91 2oi0A1 ASP 310 H -0.00 0.09 0.14 -0.55 8.40 8.08 2oi0A1 ASP 310 HA 0.00 0.16 0.46 -0.75 4.63 4.50 2oi0A1 ASP 310 HB2 -0.03 0.05 0.13 -0.04 2.71 2.82 2oi0A1 ASP 310 HB3 -0.05 -0.01 0.15 -0.04 2.70 2.76 2oi0A1 ALA 311 H 0.02 0.06 -0.13 -0.55 8.40 7.80 2oi0A1 ALA 311 HA 0.08 0.18 0.68 -0.75 4.34 4.53 2oi0A1 ALA 311 HB3 -0.09 -0.04 -0.29 -0.04 1.41 0.96 2oi0A1 TRP 312 H 0.60 0.10 0.04 -0.55 7.97 8.16 2oi0A1 TRP 312 HA 0.14 0.14 0.63 -0.75 4.62 4.78 2oi0A1 TRP 312 HB2 0.29 -0.08 -0.03 -0.04 3.23 3.37 2oi0A1 TRP 312 HB3 0.18 0.18 -0.03 -0.04 3.23 3.52 2oi0A1 TRP 312 HD1 0.13 -0.01 0.02 -0.04 7.22 7.32 2oi0A1 TRP 312 HE1 0.15 0.22 -0.05 -0.04 10.20 10.49 2oi0A1 TRP 312 HE3 0.18 0.01 -0.18 -0.04 7.59 7.56 2oi0A1 TRP 312 HZ2 0.10 0.15 -0.21 -0.04 7.44 7.44 2oi0A1 TRP 312 HZ3 -0.02 0.03 -0.21 -0.04 7.13 6.89 2oi0A1 TRP 312 HH2 -0.12 -0.05 -0.23 -0.04 7.19 6.76 2oi0A1 ASP 313 H 0.24 0.49 0.36 -0.55 8.40 8.95 2oi0A1 ASP 313 HA 0.15 0.06 0.69 -0.75 4.63 4.78 2oi0A1 ASP 313 HB2 0.09 0.09 0.24 -0.04 2.71 3.09 2oi0A1 ASP 313 HB3 0.23 0.01 0.22 -0.04 2.70 3.12 2oi0A1 VAL 314 H -0.00 0.18 0.11 -0.55 8.24 7.98 2oi0A1 VAL 314 HA -0.24 0.09 0.00 -0.75 4.13 3.23 2oi0A1 VAL 314 HB -0.91 0.04 0.02 -0.04 2.12 1.23 2oi0A1 VAL 314 HG13 -0.22 0.02 -0.04 -0.04 0.97 0.69 2oi0A1 VAL 314 HG23 -0.98 0.02 -0.17 -0.04 0.95 -0.23 2oi0A1 LYS 315 H -0.05 0.09 -0.10 -0.55 8.42 7.80 2oi0A1 LYS 315 HA -0.11 0.15 0.51 -0.75 4.32 4.12 2oi0A1 LYS 315 HB2 0.00 -0.06 0.05 -0.04 1.87 1.82 2oi0A1 LYS 315 HB3 -0.01 0.08 -0.05 -0.04 1.79 1.77 2oi0A1 LYS 315 HG2 -0.09 0.07 0.02 -0.04 1.46 1.42 2oi0A1 LYS 315 HG3 -0.07 -0.06 0.02 -0.04 1.46 1.31 2oi0A1 LYS 315 HD2 -0.01 -0.03 0.01 -0.04 1.69 1.61 2oi0A1 LYS 315 HD3 -0.02 0.05 -0.01 -0.04 1.68 1.66 2oi0A1 LYS 315 HE2 -0.03 -0.02 0.01 -0.04 2.99 2.91 2oi0A1 LYS 315 HE3 -0.02 0.03 0.01 -0.04 2.99 2.97 2oi0A1 MET 316 H 0.12 0.08 -0.31 -0.55 8.47 7.81 2oi0A1 MET 316 HA 0.14 0.10 0.37 -0.75 4.52 4.38 2oi0A1 MET 316 HB2 0.45 0.12 0.04 -0.04 2.15 2.73 2oi0A1 MET 316 HB3 0.49 0.02 -0.05 -0.04 2.03 2.45 2oi0A1 MET 316 HG2 0.17 0.05 -0.02 -0.04 2.63 2.79 2oi0A1 MET 316 HG3 0.15 -0.09 -0.00 -0.04 2.56 2.58 2oi0A1 MET 316 HE3 0.05 0.01 0.01 -0.04 2.10 2.13 2oi0A1 LEU 317 H 0.12 0.35 -0.35 -0.55 8.37 7.94 2oi0A1 LEU 317 HA -0.66 0.03 0.41 -0.75 4.35 3.37 2oi0A1 LEU 317 HB2 -0.04 0.00 -0.02 -0.04 1.64 1.54 2oi0A1 LEU 317 HB3 -0.16 0.14 0.05 -0.04 1.64 1.63 2oi0A1 LEU 317 HG -0.31 0.01 -0.27 -0.04 1.64 1.03 2oi0A1 LEU 317 HD13 -1.19 -0.01 0.04 -0.04 0.93 -0.27 2oi0A1 LEU 317 HD23 0.04 -0.02 -0.10 -0.04 0.89 0.77 2oi0A1 LEU 318 H -0.13 0.50 -0.13 -0.55 8.37 8.07 2oi0A1 LEU 318 HA -0.06 0.02 0.35 -0.75 4.35 3.90 2oi0A1 LEU 318 HB2 -0.20 0.01 0.02 -0.04 1.64 1.43 2oi0A1 LEU 318 HB3 -0.16 0.09 0.05 -0.04 1.64 1.58 2oi0A1 LEU 318 HG -0.03 0.01 -0.28 -0.04 1.64 1.30 2oi0A1 LEU 318 HD13 -0.01 -0.00 -0.20 -0.04 0.93 0.67 2oi0A1 LEU 318 HD23 -0.67 0.00 -0.24 -0.04 0.89 -0.05 2oi0A1 GLU 319 H 0.01 0.43 -0.31 -0.55 8.60 8.18 2oi0A1 GLU 319 HA 0.14 0.07 0.33 -0.75 4.29 4.07 2oi0A1 GLU 319 HB2 0.06 0.06 0.10 -0.04 2.09 2.27 2oi0A1 GLU 319 HB3 0.05 -0.02 -0.02 -0.04 1.99 1.96 2oi0A1 GLU 319 HG2 0.12 -0.00 -0.01 -0.04 2.34 2.40 2oi0A1 GLU 319 HG3 0.06 0.23 0.08 -0.04 2.34 2.66 2oi0A1 GLN 320 H -0.02 0.49 -0.23 -0.55 8.47 8.17 2oi0A1 GLN 320 HA 0.03 0.06 0.39 -0.75 4.36 4.09 2oi0A1 GLN 320 HB2 0.07 0.06 0.04 -0.04 2.15 2.28 2oi0A1 GLN 320 HB3 -0.27 0.06 0.11 -0.04 2.02 1.88 2oi0A1 GLN 320 HG2 0.06 -0.07 -0.23 -0.04 2.40 2.12 2oi0A1 GLN 320 HG3 0.04 -0.11 -0.20 -0.04 2.39 2.09 2oi0A1 GLN 320 HE21 0.01 0.11 -0.04 -0.04 6.97 7.01 2oi0A1 GLN 320 HE22 0.08 -0.14 -0.01 -0.04 7.69 7.58 2oi0A1 PHE 321 H -0.06 0.76 -0.06 -0.55 8.34 8.43 2oi0A1 PHE 321 HA -0.69 -0.09 0.45 -0.75 4.62 3.53 2oi0A1 PHE 321 HB2 -0.50 -0.05 0.06 -0.04 3.15 2.62 2oi0A1 PHE 321 HB3 -0.29 0.12 0.12 -0.04 3.06 2.97 2oi0A1 PHE 321 HD2 -1.10 -0.02 -0.06 -0.04 7.28 6.06 2oi0A1 PHE 321 HE2 -0.23 0.04 -0.16 -0.04 7.38 6.99 2oi0A1 PHE 321 HZ -0.11 0.02 -0.30 -0.04 7.32 6.88 2oi0A1 SER 322 H -0.02 0.59 -0.28 -0.55 8.46 8.21 2oi0A1 SER 322 HA -0.35 0.02 0.24 -0.75 4.49 3.64 2oi0A1 SER 322 HB2 0.06 0.14 0.12 -0.04 3.95 4.22 2oi0A1 SER 322 HB3 -0.01 -0.01 -0.10 -0.04 3.93 3.78 2oi0A1 PHE 323 H 0.10 0.43 -0.19 -0.55 8.34 8.13 2oi0A1 PHE 323 HA -0.07 0.03 0.41 -0.75 4.62 4.23 2oi0A1 PHE 323 HB2 -0.05 0.05 0.11 -0.04 3.15 3.21 2oi0A1 PHE 323 HB3 -0.05 0.03 0.15 -0.04 3.06 3.15 2oi0A1 PHE 323 HD2 -0.04 0.01 -0.11 -0.04 7.28 7.10 2oi0A1 PHE 323 HE2 -0.03 -0.04 -0.04 -0.04 7.38 7.23 2oi0A1 PHE 323 HZ -0.04 -0.03 -0.08 -0.04 7.32 7.13 2oi0A1 ASP 324 H 0.04 0.60 -0.06 -0.55 8.40 8.43 2oi0A1 ASP 324 HA 0.06 0.06 0.37 -0.75 4.63 4.36 2oi0A1 ASP 324 HB2 0.09 0.04 0.17 -0.04 2.71 2.97 2oi0A1 ASP 324 HB3 0.04 -0.07 0.05 -0.04 2.70 2.69 2oi0A1 ILE 325 H -0.33 0.66 -0.18 -0.55 8.25 7.84 2oi0A1 ILE 325 HA -0.07 0.07 0.56 -0.75 4.18 3.98 2oi0A1 ILE 325 HB -0.69 -0.06 0.01 -0.04 1.89 1.12 2oi0A1 ILE 325 HG12 -0.20 -0.00 -0.06 -0.04 1.49 1.19 2oi0A1 ILE 325 HG13 -0.14 -0.12 0.13 -0.04 1.21 1.04 2oi0A1 ILE 325 HG23 -0.91 0.06 -0.16 -0.04 0.93 -0.11 2oi0A1 ILE 325 HD13 0.11 -0.00 -0.03 -0.04 0.88 0.91 2oi0A1 ALA 326 H -0.18 0.37 -0.56 -0.55 8.40 7.49 2oi0A1 ALA 326 HA -0.09 0.01 0.25 -0.75 4.34 3.76 2oi0A1 ALA 326 HB3 -0.15 0.10 0.17 -0.04 1.41 1.50 2oi0A1 GLU 327 H -0.07 0.15 -0.10 -0.55 8.60 8.03 2oi0A1 GLU 327 HA -0.02 0.09 0.44 -0.75 4.29 4.05 2oi0A1 GLU 327 HB2 -0.03 0.03 0.11 -0.04 2.09 2.17 2oi0A1 GLU 327 HB3 -0.02 -0.04 0.07 -0.04 1.99 1.95 2oi0A1 GLU 327 HG2 -0.01 -0.00 -0.22 -0.04 2.34 2.07 2oi0A1 GLU 327 HG3 -0.01 0.02 0.04 -0.04 2.34 2.35 2oi0A1 GLU 328 H -0.04 0.16 -0.23 -0.55 8.60 7.95 2oi0A1 GLU 328 HA -0.03 0.13 0.56 -0.75 4.29 4.19 2oi0A1 GLU 328 HB2 -0.02 0.06 0.08 -0.04 2.09 2.17 2oi0A1 GLU 328 HB3 -0.01 -0.03 -0.03 -0.04 1.99 1.88 2oi0A1 GLU 328 HG2 0.01 -0.04 -0.03 -0.04 2.34 2.24 2oi0A1 GLU 328 HG3 0.03 -0.04 -0.03 -0.04 2.34 2.26 2oi0A1 ALA 329 H -0.09 0.52 -0.03 -0.55 8.40 8.25 2oi0A1 ALA 329 HA -0.09 -0.00 0.37 -0.75 4.34 3.87 2oi0A1 ALA 329 HB3 -0.10 -0.00 0.00 -0.04 1.41 1.27 2oi0A1 SER 330 H -0.12 0.40 -0.36 -0.55 8.46 7.84 2oi0A1 SER 330 HA -0.91 0.06 0.34 -0.75 4.49 3.22 2oi0A1 SER 330 HB2 -0.20 -0.07 0.08 -0.04 3.95 3.72 2oi0A1 SER 330 HB3 -0.03 0.02 0.08 -0.04 3.93 3.96 2oi0A1 LYS 331 H -0.13 0.30 -0.70 -0.55 8.42 7.34 2oi0A1 LYS 331 HA -0.11 0.14 0.62 -0.75 4.32 4.22 2oi0A1 LYS 331 HB2 -0.05 0.10 0.04 -0.04 1.87 1.92 2oi0A1 LYS 331 HB3 -0.05 -0.08 0.11 -0.04 1.79 1.73 2oi0A1 LYS 331 HG2 -0.05 -0.03 -0.03 -0.04 1.46 1.31 2oi0A1 LYS 331 HG3 -0.07 0.05 -0.07 -0.04 1.46 1.33 2oi0A1 LYS 331 HD2 -0.03 -0.02 0.06 -0.04 1.69 1.65 2oi0A1 LYS 331 HD3 -0.02 -0.04 0.02 -0.04 1.68 1.59 2oi0A1 LYS 331 HE2 -0.01 -0.08 -0.02 -0.04 2.99 2.84 2oi0A1 LYS 331 HE3 -0.02 -0.03 -0.00 -0.04 2.99 2.90 2oi0A1 VAL 332 H -0.14 0.47 -0.19 -0.55 8.24 7.83 2oi0A1 VAL 332 HA -0.05 0.16 0.95 -0.75 4.13 4.43 2oi0A1 VAL 332 HB -0.03 0.06 0.02 -0.04 2.12 2.13 2oi0A1 VAL 332 HG13 -0.02 -0.04 -0.30 -0.04 0.97 0.57 2oi0A1 VAL 332 HG23 -0.04 -0.01 -0.17 -0.04 0.95 0.69 2oi0A1 CYS 333 H -0.04 0.16 0.26 -0.55 8.50 8.32 2oi0A1 CYS 333 HA -0.03 0.09 0.62 -0.75 4.58 4.50 2oi0A1 CYS 333 HB2 0.01 0.25 0.24 -0.04 2.97 3.42 2oi0A1 CYS 333 HB3 -0.07 0.01 0.26 -0.04 2.97 3.13 2oi0A1 LEU 334 H -0.02 0.37 0.17 -0.55 8.37 8.35 2oi0A1 LEU 334 HA 0.02 0.37 0.76 -0.75 4.35 4.75 2oi0A1 LEU 334 HB2 0.02 -0.10 -0.10 -0.04 1.64 1.42 2oi0A1 LEU 334 HB3 0.08 -0.01 -0.12 -0.04 1.64 1.56 2oi0A1 LEU 334 HG -0.07 -0.06 -0.56 -0.04 1.64 0.91 2oi0A1 LEU 334 HD13 0.03 -0.02 -0.17 -0.04 0.93 0.72 2oi0A1 LEU 334 HD23 0.02 0.05 -0.17 -0.04 0.89 0.74 2oi0A1 ALA 335 H 0.09 0.87 0.38 -0.55 8.40 9.20 2oi0A1 ALA 335 HA 0.12 0.16 1.01 -0.75 4.34 4.88 2oi0A1 ALA 335 HB3 0.04 -0.01 0.01 -0.04 1.41 1.40 2oi0A1 HIS 336 H 0.24 0.73 0.32 -0.55 8.41 9.15 2oi0A1 HIS 336 HA 0.02 0.28 1.09 -0.75 4.63 5.27 2oi0A1 HIS 336 HB2 0.04 0.02 -0.24 -0.04 3.26 3.04 2oi0A1 HIS 336 HB3 0.05 -0.08 0.01 -0.04 3.20 3.14 2oi0A1 HIS 336 HD2 -1.35 -0.05 -0.26 -0.04 6.97 5.26 2oi0A1 HIS 336 HE1 -0.04 -0.01 -0.22 -0.04 7.75 7.44 2oi0A1 LEU 337 H -0.77 0.59 0.45 -0.55 8.37 8.09 2oi0A1 LEU 337 HA -0.39 0.15 0.88 -0.75 4.35 4.23 2oi0A1 LEU 337 HB2 -2.49 0.00 0.05 -0.04 1.64 -0.84 2oi0A1 LEU 337 HB3 -1.04 0.01 0.19 -0.04 1.64 0.76 2oi0A1 LEU 337 HG -0.35 -0.05 -0.42 -0.04 1.64 0.79 2oi0A1 LEU 337 HD13 -0.17 0.02 -0.07 -0.04 0.93 0.67 2oi0A1 LEU 337 HD23 -0.48 -0.01 -0.10 -0.04 0.89 0.25 2oi0A1 PHE 338 H 0.01 0.95 0.52 -0.55 8.34 9.27 2oi0A1 PHE 338 HA -0.11 0.25 1.15 -0.75 4.62 5.16 2oi0A1 PHE 338 HB2 -0.63 0.01 0.22 -0.04 3.15 2.71 2oi0A1 PHE 338 HB3 -0.96 -0.03 0.04 -0.04 3.06 2.06 2oi0A1 PHE 338 HD2 -0.02 0.04 -0.06 -0.04 7.28 7.20 2oi0A1 PHE 338 HE2 0.11 0.02 -0.10 -0.04 7.38 7.37 2oi0A1 PHE 338 HZ 0.03 0.02 -0.13 -0.04 7.32 7.20 2oi0A1 THR 339 H 0.12 0.76 0.45 -0.55 8.28 9.06 2oi0A1 THR 339 HA 0.22 0.03 0.95 -0.75 4.39 4.84 2oi0A1 THR 339 HB -0.01 0.03 -0.21 -0.04 4.32 4.09 2oi0A1 THR 339 HG23 0.06 0.04 -0.16 -0.04 1.22 1.12 2oi0A1 TYR 340 H 0.11 0.18 -0.05 -0.55 8.29 7.98 2oi0A1 TYR 340 HA -0.05 0.03 0.84 -0.75 4.56 4.62 2oi0A1 TYR 340 HB2 -0.01 -0.02 -0.34 -0.04 3.06 2.66 2oi0A1 TYR 340 HB3 -0.11 0.02 -0.11 -0.04 2.98 2.75 2oi0A1 TYR 340 HD2 -0.42 -0.02 -0.11 -0.04 7.15 6.56 2oi0A1 TYR 340 HE2 -0.33 0.07 -0.14 -0.04 6.85 6.41 2oi0A1 GLN 341 H -0.37 0.28 0.07 -0.55 8.47 7.91 2oi0A1 GLN 341 HA -0.34 0.17 0.48 -0.75 4.36 3.92 2oi0A1 GLN 341 HB2 -0.31 -0.03 -0.17 -0.04 2.15 1.59 2oi0A1 GLN 341 HB3 -0.14 0.21 -0.04 -0.04 2.02 2.01 2oi0A1 GLN 341 HG2 -0.22 -0.19 -0.23 -0.04 2.40 1.72 2oi0A1 GLN 341 HG3 -0.97 0.03 -0.14 -0.04 2.39 1.26 2oi0A1 GLN 341 HE21 0.13 0.11 -0.03 -0.04 6.97 7.13 2oi0A1 GLN 341 HE22 0.02 -0.14 -0.09 -0.04 7.69 7.45 2oi0A1 ASP 342 H -0.27 0.17 -0.04 -0.55 8.40 7.71 2oi0A1 ASP 342 HA -0.30 0.29 0.69 -0.75 4.63 4.55 2oi0A1 ASP 342 HB2 -0.17 0.01 0.04 -0.04 2.71 2.55 2oi0A1 ASP 342 HB3 -0.08 0.01 0.12 -0.04 2.70 2.70 2oi0A1 PHE 343 H -0.25 0.39 0.16 -0.55 8.34 8.08 2oi0A1 PHE 343 HA 0.01 0.06 0.47 -0.75 4.62 4.40 2oi0A1 PHE 343 HB2 -0.04 0.22 0.11 -0.04 3.15 3.40 2oi0A1 PHE 343 HB3 -0.00 -0.06 0.08 -0.04 3.06 3.04 2oi0A1 PHE 343 HD2 0.00 0.26 -0.10 -0.04 7.28 7.40 2oi0A1 PHE 343 HE2 0.01 -0.01 -0.18 -0.04 7.38 7.16 2oi0A1 PHE 343 HZ -0.07 -0.02 -0.16 -0.04 7.32 7.03 2oi0A1 ASP 344 H 0.18 0.10 0.19 -0.55 8.40 8.32 2oi0A1 ASP 344 HA 0.09 0.06 0.46 -0.75 4.63 4.49 2oi0A1 ASP 344 HB2 0.08 -0.04 0.14 -0.04 2.71 2.85 2oi0A1 ASP 344 HB3 0.06 0.05 0.06 -0.04 2.70 2.83 2oi0A1 MET 345 H 0.09 0.15 0.20 -0.55 8.47 8.36 2oi0A1 MET 345 HA 0.09 0.04 0.36 -0.75 4.52 4.26 2oi0A1 MET 345 HB2 0.04 0.07 -0.43 -0.04 2.15 1.80 2oi0A1 MET 345 HB3 0.04 0.06 0.19 -0.04 2.03 2.27 2oi0A1 MET 345 HG2 0.03 0.01 -0.02 -0.04 2.63 2.61 2oi0A1 MET 345 HG3 0.04 0.05 0.07 -0.04 2.56 2.67 2oi0A1 MET 345 HE3 0.05 0.02 0.07 -0.04 2.10 2.20 2oi0A1 GLY 346 H 0.08 0.17 -0.43 -0.55 8.43 7.71 2oi0A1 GLY 346 HA2 -0.29 -0.04 0.26 -0.51 4.01 3.44 2oi0A1 GLY 346 HA3 -0.06 0.05 0.32 -0.51 4.01 3.81 2oi0A1 THR 347 H 0.05 0.27 -0.34 -0.55 8.28 7.71 2oi0A1 THR 347 HA -0.01 0.07 0.47 -0.75 4.39 4.18 2oi0A1 THR 347 HB 0.09 -0.12 0.03 -0.04 4.32 4.28 2oi0A1 THR 347 HG23 -0.11 -0.02 -0.14 -0.04 1.22 0.91 2oi0A1 LEU 348 H -0.00 0.09 0.27 -0.55 8.37 8.18 2oi0A1 LEU 348 HA 0.09 0.21 0.99 -0.75 4.35 4.89 2oi0A1 LEU 348 HB2 -0.01 -0.01 0.14 -0.04 1.64 1.72 2oi0A1 LEU 348 HB3 0.03 0.01 0.11 -0.04 1.64 1.75 2oi0A1 LEU 348 HG -0.05 0.13 -0.03 -0.04 1.64 1.64 2oi0A1 LEU 348 HD13 -0.02 -0.01 -0.01 -0.04 0.93 0.85 2oi0A1 LEU 348 HD23 -0.06 0.03 -0.07 -0.04 0.89 0.74 2oi0A1 GLY 349 H -0.00 0.13 0.24 -0.55 8.43 8.25 2oi0A1 GLY 349 HA2 -0.01 0.17 0.79 -0.51 4.01 4.46 2oi0A1 GLY 349 HA3 0.06 0.08 0.38 -0.51 4.01 4.02 2oi0A1 LEU 350 H -0.06 0.50 0.35 -0.55 8.37 8.60 2oi0A1 LEU 350 HA -0.03 0.12 0.49 -0.75 4.35 4.17 2oi0A1 LEU 350 HB2 -0.20 0.04 -0.15 -0.04 1.64 1.29 2oi0A1 LEU 350 HB3 -0.23 -0.06 -0.04 -0.04 1.64 1.28 2oi0A1 LEU 350 HG -0.26 0.09 -0.09 -0.04 1.64 1.33 2oi0A1 LEU 350 HD13 -0.14 0.01 0.09 -0.04 0.93 0.85 2oi0A1 LEU 350 HD23 -0.21 -0.03 -0.14 -0.04 0.89 0.46 2oi0A1 ALA 351 H -0.13 0.31 0.23 -0.55 8.40 8.27 2oi0A1 ALA 351 HA -0.09 0.13 0.88 -0.75 4.34 4.50 2oi0A1 ALA 351 HB3 0.17 0.01 0.03 -0.04 1.41 1.58 2oi0A1 TYR 352 H 0.11 0.48 0.31 -0.55 8.29 8.64 2oi0A1 TYR 352 HA -0.02 0.04 0.77 -0.75 4.56 4.60 2oi0A1 TYR 352 HB2 0.04 0.05 0.30 -0.04 3.06 3.41 2oi0A1 TYR 352 HB3 0.04 0.05 0.11 -0.04 2.98 3.14 2oi0A1 TYR 352 HD2 0.02 0.01 0.07 -0.04 7.15 7.21 2oi0A1 TYR 352 HE2 -0.00 -0.02 -0.06 -0.04 6.85 6.72 2oi0A1 VAL 353 H 0.12 0.06 0.12 -0.55 8.24 7.98 2oi0A1 VAL 353 HA 0.13 0.21 0.28 -0.75 4.13 4.00 2oi0A1 VAL 353 HB 0.05 -0.10 0.11 -0.04 2.12 2.13 2oi0A1 VAL 353 HG13 0.07 0.10 -0.22 -0.04 0.97 0.88 2oi0A1 VAL 353 HG23 -0.03 -0.02 -0.00 -0.04 0.95 0.86 2oi0A1 GLY 354 H 0.09 0.47 0.22 -0.55 8.43 8.65 2oi0A1 GLY 354 HA2 0.02 0.38 0.28 -0.51 4.01 4.18 2oi0A1 GLY 354 HA3 -0.00 0.18 0.32 -0.51 4.01 4.00 2oi0A1 SER 355 H -0.04 0.42 0.15 -0.55 8.46 8.44 2oi0A1 SER 355 HA -0.02 0.11 0.53 -0.75 4.49 4.35 2oi0A1 SER 355 HB2 0.01 0.20 -0.13 -0.04 3.95 3.98 2oi0A1 SER 355 HB3 -0.01 -0.03 -0.08 -0.04 3.93 3.76 2oi0A1 PRO 356 HA -0.10 0.23 0.58 -0.51 4.44 4.64 2oi0A1 PRO 356 HB2 -0.06 -0.02 -0.03 -0.04 2.28 2.12 2oi0A1 PRO 356 HB3 -0.08 0.13 -0.24 -0.04 2.02 1.78 2oi0A1 PRO 356 HG2 -0.03 -0.05 0.01 -0.04 2.03 1.92 2oi0A1 PRO 356 HG3 -0.03 0.02 0.01 -0.04 2.03 1.99 2oi0A1 PRO 356 HD2 -0.02 0.06 0.24 -0.04 3.68 3.91 2oi0A1 PRO 356 HD3 -0.04 0.22 0.11 -0.04 3.65 3.90 2oi0A1 ARG 357 H -0.04 0.01 -0.26 -0.55 8.46 7.63 2oi0A1 ARG 357 HA -0.03 -0.01 0.34 -0.75 4.34 3.89 2oi0A1 ARG 357 HB2 -0.02 0.04 -0.02 -0.04 1.90 1.87 2oi0A1 ARG 357 HB3 -0.02 -0.12 -0.07 -0.04 1.80 1.55 2oi0A1 ARG 357 HG2 -0.01 0.01 0.02 -0.04 1.67 1.64 2oi0A1 ARG 357 HG3 -0.01 0.03 0.03 -0.04 1.67 1.68 2oi0A1 ARG 357 HD2 -0.00 -0.02 -0.02 -0.04 3.22 3.13 2oi0A1 ARG 357 HD3 0.00 0.01 -0.01 -0.04 3.22 3.17 2oi0A1 ALA 358 H -0.04 0.07 0.20 -0.55 8.40 8.08 2oi0A1 ALA 358 HA -0.06 0.22 0.43 -0.75 4.34 4.17 2oi0A1 ALA 358 HB3 -0.04 -0.01 0.12 -0.04 1.41 1.43 2oi0A1 ASN 359 H -0.03 -0.05 -0.34 -0.55 8.53 7.56 2oi0A1 ASN 359 HA -0.09 0.26 0.73 -0.75 4.76 4.90 2oi0A1 ASN 359 HB2 -0.01 -0.05 -0.00 -0.04 2.88 2.77 2oi0A1 ASN 359 HB3 0.02 -0.05 0.02 -0.04 2.79 2.74 2oi0A1 ASN 359 HD21 0.12 -0.01 0.02 -0.04 7.03 7.12 2oi0A1 ASN 359 HD22 0.06 -0.05 0.02 -0.04 7.74 7.73 2oi0A1 SER 360 H -0.07 0.57 -0.53 -0.55 8.46 7.89 2oi0A1 SER 360 HA 0.01 -0.13 0.35 -0.75 4.49 3.97 2oi0A1 SER 360 HB2 -0.04 -0.02 0.02 -0.04 3.95 3.87 2oi0A1 SER 360 HB3 -0.07 0.20 0.08 -0.04 3.93 4.10 2oi0A1 HIS 361 H 0.11 0.05 0.17 -0.55 8.41 8.19 2oi0A1 HIS 361 HA -0.15 0.28 0.89 -0.75 4.63 4.90 2oi0A1 HIS 361 HB2 0.00 -0.08 0.12 -0.04 3.26 3.26 2oi0A1 HIS 361 HB3 0.01 -0.07 0.19 -0.04 3.20 3.28 2oi0A1 HIS 361 HD2 -0.12 0.27 0.04 -0.04 6.97 7.11 2oi0A1 HIS 361 HE1 -0.61 0.08 -0.09 -0.04 7.75 7.09 2oi0A1 GLY 362 H 0.01 0.20 -0.18 -0.55 8.43 7.91 2oi0A1 GLY 362 HA2 -0.02 0.18 0.61 -0.51 4.01 4.26 2oi0A1 GLY 362 HA3 0.06 -0.06 0.19 -0.51 4.01 3.68 2oi0A1 GLY 363 H 0.12 0.19 0.13 -0.55 8.43 8.33 2oi0A1 GLY 363 HA2 0.09 -0.08 0.36 -0.51 4.01 3.86 2oi0A1 GLY 363 HA3 0.04 0.16 0.46 -0.51 4.01 4.15 2oi0A1 VAL 364 H -0.09 0.36 0.18 -0.55 8.24 8.14 2oi0A1 VAL 364 HA -0.07 0.12 0.32 -0.75 4.13 3.75 2oi0A1 VAL 364 HB -0.06 -0.02 -0.06 -0.04 2.12 1.94 2oi0A1 VAL 364 HG13 -0.57 -0.02 -0.16 -0.04 0.97 0.18 2oi0A1 VAL 364 HG23 -0.21 0.03 -0.03 -0.04 0.95 0.70 2oi0A1 CYS 365 H -0.04 0.18 0.22 -0.55 8.50 8.31 2oi0A1 CYS 365 HA -0.04 0.04 0.34 -0.75 4.58 4.16 2oi0A1 CYS 365 HB2 -0.11 0.10 0.02 -0.04 2.97 2.94 2oi0A1 CYS 365 HB3 -0.07 -0.01 0.06 -0.04 2.97 2.91 2oi0A1 PRO 366 HA -0.10 0.26 0.48 -0.51 4.44 4.56 2oi0A1 PRO 366 HB2 -0.08 0.04 -0.32 -0.04 2.28 1.88 2oi0A1 PRO 366 HB3 -0.03 0.00 -0.57 -0.04 2.02 1.38 2oi0A1 PRO 366 HG2 0.16 -0.13 -0.25 -0.04 2.03 1.77 2oi0A1 PRO 366 HG3 0.04 -0.07 -0.45 -0.04 2.03 1.51 2oi0A1 PRO 366 HD2 0.01 0.02 0.07 -0.04 3.68 3.74 2oi0A1 PRO 366 HD3 -0.01 0.37 -0.19 -0.04 3.65 3.78 2oi0A1 LYS 367 H -0.34 0.65 0.22 -0.55 8.42 8.40 2oi0A1 LYS 367 HA -0.19 0.05 0.73 -0.75 4.32 4.17 2oi0A1 LYS 367 HB2 -0.89 0.06 -0.04 -0.04 1.87 0.95 2oi0A1 LYS 367 HB3 -0.52 -0.02 -0.02 -0.04 1.79 1.18 2oi0A1 LYS 367 HG2 -0.21 -0.11 0.03 -0.04 1.46 1.12 2oi0A1 LYS 367 HG3 -0.17 -0.04 0.06 -0.04 1.46 1.26 2oi0A1 LYS 367 HD2 -0.20 0.04 -0.03 -0.04 1.69 1.45 2oi0A1 LYS 367 HD3 -0.19 -0.16 0.08 -0.04 1.68 1.37 2oi0A1 LYS 367 HE2 -0.10 0.50 0.24 -0.04 2.99 3.59 2oi0A1 LYS 367 HE3 -0.10 -0.20 0.06 -0.04 2.99 2.70 2oi0A1 ALA 368 H -0.32 0.05 0.08 -0.55 8.40 7.67 2oi0A1 ALA 368 HA -0.56 0.19 0.51 -0.75 4.34 3.72 2oi0A1 ALA 368 HB3 -0.82 -0.03 -0.06 -0.04 1.41 0.47 2oi0A1 TYR 369 H -0.04 0.54 0.32 -0.55 8.29 8.57 2oi0A1 TYR 369 HA 0.03 0.13 0.75 -0.75 4.56 4.71 2oi0A1 TYR 369 HB2 -0.06 -0.03 0.13 -0.04 3.06 3.06 2oi0A1 TYR 369 HB3 -0.03 0.01 0.02 -0.04 2.98 2.95 2oi0A1 TYR 369 HD2 -0.06 -0.02 0.05 -0.04 7.15 7.09 2oi0A1 TYR 369 HE2 -0.18 0.05 0.04 -0.04 6.85 6.72 2oi0A1 TYR 370 H 0.19 0.15 0.07 -0.55 8.29 8.15 2oi0A1 TYR 370 HA -0.04 0.11 0.67 -0.75 4.56 4.55 2oi0A1 TYR 370 HB2 -0.03 0.03 -0.00 -0.04 3.06 3.02 2oi0A1 TYR 370 HB3 0.01 -0.02 0.07 -0.04 2.98 2.99 2oi0A1 TYR 370 HD2 -0.01 -0.01 -0.23 -0.04 7.15 6.85 2oi0A1 TYR 370 HE2 -0.00 -0.00 -0.22 -0.04 6.85 6.58 2oi0A1 SER 371 H -0.47 0.78 0.27 -0.55 8.46 8.50 2oi0A1 SER 371 HA -0.22 0.23 0.97 -0.75 4.49 4.71 2oi0A1 SER 371 HB2 -0.03 0.09 0.00 -0.04 3.95 3.98 2oi0A1 SER 371 HB3 -0.22 0.14 0.16 -0.04 3.93 3.97 2oi0A1 PRO 372 HA -0.20 0.11 0.47 -0.51 4.44 4.32 2oi0A1 PRO 372 HB2 -0.01 0.00 0.06 -0.04 2.28 2.29 2oi0A1 PRO 372 HB3 0.07 0.06 0.07 -0.04 2.02 2.18 2oi0A1 PRO 372 HG2 0.02 0.05 0.06 -0.04 2.03 2.13 2oi0A1 PRO 372 HG3 0.14 0.06 -0.00 -0.04 2.03 2.19 2oi0A1 PRO 372 HD2 -0.10 0.06 0.21 -0.04 3.68 3.81 2oi0A1 PRO 372 HD3 -0.20 0.38 -0.07 -0.04 3.65 3.72 2oi0A1 VAL 373 H -0.05 0.12 -0.09 -0.55 8.24 7.66 2oi0A1 VAL 373 HA 0.01 0.11 0.35 -0.75 4.13 3.85 2oi0A1 VAL 373 HB 0.05 -0.04 0.04 -0.04 2.12 2.13 2oi0A1 VAL 373 HG13 0.04 0.01 -0.11 -0.04 0.97 0.88 2oi0A1 VAL 373 HG23 -0.00 0.00 0.03 -0.04 0.95 0.93 2oi0A1 GLY 374 H -0.00 -0.02 -0.34 -0.55 8.43 7.52 2oi0A1 GLY 374 HA2 0.08 0.11 0.49 -0.51 4.01 4.18 2oi0A1 GLY 374 HA3 -0.06 -0.01 0.24 -0.51 4.01 3.67 2oi0A1 LYS 375 H -0.11 0.23 -0.48 -0.55 8.42 7.51 2oi0A1 LYS 375 HA 0.06 -0.01 0.31 -0.75 4.32 3.92 2oi0A1 LYS 375 HB2 0.02 0.14 -0.11 -0.04 1.87 1.88 2oi0A1 LYS 375 HB3 0.06 -0.08 0.24 -0.04 1.79 1.97 2oi0A1 LYS 375 HG2 0.03 0.11 -0.12 -0.04 1.46 1.43 2oi0A1 LYS 375 HG3 0.04 -0.08 -0.01 -0.04 1.46 1.38 2oi0A1 LYS 375 HD2 0.11 -0.07 0.05 -0.04 1.69 1.74 2oi0A1 LYS 375 HD3 0.10 0.12 0.13 -0.04 1.68 1.99 2oi0A1 LYS 375 HE2 0.08 -0.07 0.02 -0.04 2.99 2.98 2oi0A1 LYS 375 HE3 0.05 0.05 0.03 -0.04 2.99 3.09 2oi0A1 LYS 376 H -0.20 0.29 -0.06 -0.55 8.42 7.90 2oi0A1 LYS 376 HA 0.09 0.08 0.58 -0.75 4.32 4.32 2oi0A1 LYS 376 HB2 -0.04 0.01 0.04 -0.04 1.87 1.84 2oi0A1 LYS 376 HB3 -0.04 0.18 -0.25 -0.04 1.79 1.64 2oi0A1 LYS 376 HG2 -0.20 -0.13 -0.33 -0.04 1.46 0.75 2oi0A1 LYS 376 HG3 -0.24 -0.00 -0.33 -0.04 1.46 0.85 2oi0A1 LYS 376 HD2 -0.17 -0.06 -0.04 -0.04 1.69 1.38 2oi0A1 LYS 376 HD3 -0.16 0.08 -0.04 -0.04 1.68 1.53 2oi0A1 LYS 376 HE2 -0.84 -0.13 -0.02 -0.04 2.99 1.96 2oi0A1 LYS 376 HE3 -0.64 0.06 0.02 -0.04 2.99 2.39 2oi0A1 ASN 377 H 0.07 0.16 0.10 -0.55 8.53 8.32 2oi0A1 ASN 377 HA 0.02 0.08 0.77 -0.75 4.76 4.88 2oi0A1 ASN 377 HB2 0.09 0.00 0.09 -0.04 2.88 3.01 2oi0A1 ASN 377 HB3 -0.30 0.07 -0.14 -0.04 2.79 2.38 2oi0A1 ASN 377 HD21 -0.02 -0.00 -0.06 -0.04 7.03 6.90 2oi0A1 ASN 377 HD22 0.05 0.05 -0.03 -0.04 7.74 7.77 2oi0A1 ILE 378 H -0.12 0.77 0.31 -0.55 8.25 8.66 2oi0A1 ILE 378 HA -0.06 0.16 0.86 -0.75 4.18 4.38 2oi0A1 ILE 378 HB 0.01 -0.03 0.08 -0.04 1.89 1.91 2oi0A1 ILE 378 HG12 -0.10 0.03 -0.13 -0.04 1.49 1.25 2oi0A1 ILE 378 HG13 0.03 -0.07 -0.09 -0.04 1.21 1.03 2oi0A1 ILE 378 HG23 -0.02 0.02 -0.26 -0.04 0.93 0.63 2oi0A1 ILE 378 HD13 -0.40 0.01 -0.11 -0.04 0.88 0.34 2oi0A1 TYR 379 H 0.13 0.23 0.05 -0.55 8.29 8.15 2oi0A1 TYR 379 HA -0.04 0.21 0.85 -0.75 4.56 4.83 2oi0A1 TYR 379 HB2 -0.07 -0.04 -0.04 -0.04 3.06 2.86 2oi0A1 TYR 379 HB3 -0.06 0.10 -0.14 -0.04 2.98 2.84 2oi0A1 TYR 379 HD2 -0.08 0.09 -0.24 -0.04 7.15 6.88 2oi0A1 TYR 379 HE2 -0.06 0.03 -0.09 -0.04 6.85 6.69 2oi0A1 LEU 380 H -0.00 0.35 -0.02 -0.55 8.37 8.15 2oi0A1 LEU 380 HA -0.06 0.07 0.67 -0.75 4.35 4.27 2oi0A1 LEU 380 HB2 -0.28 0.31 0.31 -0.04 1.64 1.93 2oi0A1 LEU 380 HB3 -1.24 -0.13 0.24 -0.04 1.64 0.47 2oi0A1 LEU 380 HG -0.02 0.05 -0.01 -0.04 1.64 1.62 2oi0A1 LEU 380 HD13 -0.43 0.02 0.05 -0.04 0.93 0.52 2oi0A1 LEU 380 HD23 -0.21 -0.02 -0.16 -0.04 0.89 0.46 2oi0A1 ASN 381 H 0.06 0.25 -0.72 -0.55 8.53 7.57 2oi0A1 ASN 381 HA 0.07 0.21 0.79 -0.75 4.76 5.08 2oi0A1 ASN 381 HB2 0.01 0.16 0.23 -0.04 2.88 3.24 2oi0A1 ASN 381 HB3 0.02 0.11 0.03 -0.04 2.79 2.91 2oi0A1 ASN 381 HD21 -0.09 0.12 -0.11 -0.04 7.03 6.90 2oi0A1 ASN 381 HD22 -0.05 0.30 -0.35 -0.04 7.74 7.60 2oi0A1 SER 382 H 0.25 0.28 -0.25 -0.55 8.46 8.18 2oi0A1 SER 382 HA 0.17 0.50 1.06 -0.75 4.49 5.47 2oi0A1 SER 382 HB2 0.24 -0.05 0.01 -0.04 3.95 4.12 2oi0A1 SER 382 HB3 0.06 0.05 -0.16 -0.04 3.93 3.83 2oi0A1 GLY 383 H 0.09 0.49 0.48 -0.55 8.43 8.95 2oi0A1 GLY 383 HA2 -0.07 0.09 0.61 -0.51 4.01 4.12 2oi0A1 GLY 383 HA3 0.10 0.05 0.55 -0.51 4.01 4.20 2oi0A1 LEU 384 H -0.23 0.59 0.45 -0.55 8.37 8.63 2oi0A1 LEU 384 HA -1.08 0.22 0.97 -0.75 4.35 3.71 2oi0A1 LEU 384 HB2 -0.37 0.05 0.07 -0.04 1.64 1.35 2oi0A1 LEU 384 HB3 -0.48 -0.02 -0.13 -0.04 1.64 0.96 2oi0A1 LEU 384 HG -0.24 0.04 0.10 -0.04 1.64 1.49 2oi0A1 LEU 384 HD13 -0.12 -0.01 -0.40 -0.04 0.93 0.36 2oi0A1 LEU 384 HD23 -0.26 -0.01 -0.15 -0.04 0.89 0.44 2oi0A1 THR 385 H -0.43 0.66 0.45 -0.55 8.28 8.40 2oi0A1 THR 385 HA 0.03 0.23 1.00 -0.75 4.39 4.90 2oi0A1 THR 385 HB -0.27 -0.05 0.10 -0.04 4.32 4.07 2oi0A1 THR 385 HG23 0.18 -0.01 -0.17 -0.04 1.22 1.18 2oi0A1 SER 386 H 0.12 0.85 0.39 -0.55 8.46 9.27 2oi0A1 SER 386 HA 0.12 0.26 0.96 -0.75 4.49 5.08 2oi0A1 SER 386 HB2 0.06 -0.11 0.05 -0.04 3.95 3.90 2oi0A1 SER 386 HB3 0.11 0.16 0.26 -0.04 3.93 4.43 2oi0A1 THR 387 H 0.21 0.38 0.26 -0.55 8.28 8.58 2oi0A1 THR 387 HA 0.12 0.20 0.84 -0.75 4.39 4.79 2oi0A1 THR 387 HB 0.19 -0.01 0.19 -0.04 4.32 4.65 2oi0A1 THR 387 HG23 0.41 0.01 -0.09 -0.04 1.22 1.51 2oi0A1 LYS 388 H -0.24 0.07 -0.15 -0.55 8.42 7.55 2oi0A1 LYS 388 HA -0.34 0.35 0.80 -0.75 4.32 4.38 2oi0A1 LYS 388 HB2 -2.25 0.01 -0.21 -0.04 1.87 -0.63 2oi0A1 LYS 388 HB3 -0.73 -0.07 -0.27 -0.04 1.79 0.67 2oi0A1 LYS 388 HG2 -0.38 -0.11 -0.41 -0.04 1.46 0.52 2oi0A1 LYS 388 HG3 -0.63 0.10 -0.35 -0.04 1.46 0.53 2oi0A1 LYS 388 HD2 -0.66 0.04 -0.42 -0.04 1.69 0.62 2oi0A1 LYS 388 HD3 -0.36 -0.14 -0.32 -0.04 1.68 0.81 2oi0A1 LYS 388 HE2 -0.17 -0.06 -0.13 -0.04 2.99 2.59 2oi0A1 LYS 388 HE3 -0.25 0.10 -0.17 -0.04 2.99 2.63 2oi0A1 ASN 389 H -0.16 0.78 0.13 -0.55 8.53 8.73 2oi0A1 ASN 389 HA -0.28 0.08 0.67 -0.75 4.76 4.48 2oi0A1 ASN 389 HB2 -0.16 0.06 -0.29 -0.04 2.88 2.44 2oi0A1 ASN 389 HB3 -0.15 0.01 -0.02 -0.04 2.79 2.59 2oi0A1 ASN 389 HD21 -0.41 0.06 -0.01 -0.04 7.03 6.62 2oi0A1 ASN 389 HD22 -0.17 -0.04 -0.06 -0.04 7.74 7.43 2oi0A1 TYR 390 H -0.25 0.18 0.08 -0.55 8.29 7.75 2oi0A1 TYR 390 HA -0.04 0.02 0.31 -0.75 4.56 4.11 2oi0A1 TYR 390 HB2 -0.02 0.18 -0.05 -0.04 3.06 3.13 2oi0A1 TYR 390 HB3 -0.01 0.02 0.20 -0.04 2.98 3.15 2oi0A1 TYR 390 HD2 -0.01 0.01 -0.01 -0.04 7.15 7.10 2oi0A1 TYR 390 HE2 0.00 -0.02 -0.02 -0.04 6.85 6.77 2oi0A1 GLY 391 H -0.07 -0.02 -0.44 -0.55 8.43 7.35 2oi0A1 GLY 391 HA2 -0.05 -0.03 0.19 -0.51 4.01 3.60 2oi0A1 GLY 391 HA3 0.01 0.16 0.43 -0.51 4.01 4.10 2oi0A1 LYS 392 H -0.02 0.45 -0.39 -0.55 8.42 7.91 2oi0A1 LYS 392 HA 0.04 0.19 0.99 -0.75 4.32 4.79 2oi0A1 LYS 392 HB2 0.04 0.06 -0.03 -0.04 1.87 1.90 2oi0A1 LYS 392 HB3 0.04 0.05 -0.02 -0.04 1.79 1.83 2oi0A1 LYS 392 HG2 0.04 0.02 -0.11 -0.04 1.46 1.37 2oi0A1 LYS 392 HG3 0.05 0.07 -0.31 -0.04 1.46 1.24 2oi0A1 LYS 392 HD2 0.06 -0.02 -0.05 -0.04 1.69 1.65 2oi0A1 LYS 392 HD3 0.04 -0.02 -0.03 -0.04 1.68 1.63 2oi0A1 LYS 392 HE2 0.04 -0.04 -0.01 -0.04 2.99 2.93 2oi0A1 LYS 392 HE3 0.04 -0.00 -0.03 -0.04 2.99 2.95 2oi0A1 THR 393 H 0.09 0.14 0.14 -0.55 8.28 8.11 2oi0A1 THR 393 HA 0.13 0.26 0.77 -0.75 4.39 4.80 2oi0A1 THR 393 HB 0.08 -0.05 0.14 -0.04 4.32 4.45 2oi0A1 THR 393 HG23 0.09 0.06 -0.02 -0.04 1.22 1.31 2oi0A1 ILE 394 H 0.07 0.47 0.24 -0.55 8.25 8.48 2oi0A1 ILE 394 HA 0.05 0.09 0.49 -0.75 4.18 4.05 2oi0A1 ILE 394 HB 0.06 -0.08 0.06 -0.04 1.89 1.88 2oi0A1 ILE 394 HG12 0.10 0.09 0.14 -0.04 1.49 1.78 2oi0A1 ILE 394 HG13 0.14 -0.03 -0.22 -0.04 1.21 1.06 2oi0A1 ILE 394 HG23 -0.00 0.03 -0.13 -0.04 0.93 0.79 2oi0A1 ILE 394 HD13 0.10 0.00 -0.10 -0.04 0.88 0.85 2oi0A1 LEU 395 H 0.06 0.11 0.15 -0.55 8.37 8.14 2oi0A1 LEU 395 HA 0.07 0.17 0.54 -0.75 4.35 4.38 2oi0A1 LEU 395 HB2 0.05 -0.08 0.12 -0.04 1.64 1.69 2oi0A1 LEU 395 HB3 0.04 -0.06 0.09 -0.04 1.64 1.67 2oi0A1 LEU 395 HG 0.04 0.05 0.09 -0.04 1.64 1.78 2oi0A1 LEU 395 HD13 0.03 0.02 0.02 -0.04 0.93 0.95 2oi0A1 LEU 395 HD23 0.04 0.03 0.04 -0.04 0.89 0.95 2oi0A1 THR 396 H 0.08 0.23 0.19 -0.55 8.28 8.24 2oi0A1 THR 396 HA 0.15 0.12 0.37 -0.75 4.39 4.27 2oi0A1 THR 396 HB -0.06 0.06 0.05 -0.04 4.32 4.33 2oi0A1 THR 396 HG23 0.13 0.03 0.09 -0.04 1.22 1.43 2oi0A1 LYS 397 H 0.04 0.08 -0.20 -0.55 8.42 7.78 2oi0A1 LYS 397 HA 0.02 0.14 0.47 -0.75 4.32 4.20 2oi0A1 LYS 397 HB2 0.01 0.10 0.03 -0.04 1.87 1.97 2oi0A1 LYS 397 HB3 0.01 0.01 0.05 -0.04 1.79 1.82 2oi0A1 LYS 397 HG2 0.03 -0.14 -0.04 -0.04 1.46 1.26 2oi0A1 LYS 397 HG3 0.03 0.09 -0.37 -0.04 1.46 1.16 2oi0A1 LYS 397 HD2 0.00 0.06 -0.07 -0.04 1.69 1.64 2oi0A1 LYS 397 HD3 0.01 0.01 -0.03 -0.04 1.68 1.62 2oi0A1 LYS 397 HE2 0.01 -0.04 -0.04 -0.04 2.99 2.88 2oi0A1 LYS 397 HE3 0.01 0.04 -0.12 -0.04 2.99 2.88 2oi0A1 GLU 398 H 0.06 0.11 -0.39 -0.55 8.60 7.83 2oi0A1 GLU 398 HA 0.05 0.16 0.63 -0.75 4.29 4.37 2oi0A1 GLU 398 HB2 0.06 0.11 0.11 -0.04 2.09 2.33 2oi0A1 GLU 398 HB3 0.05 0.04 0.01 -0.04 1.99 2.04 2oi0A1 GLU 398 HG2 0.04 0.11 -0.03 -0.04 2.34 2.41 2oi0A1 GLU 398 HG3 0.04 -0.13 0.00 -0.04 2.34 2.21 2oi0A1 ALA 399 H 0.11 0.56 -0.06 -0.55 8.40 8.46 2oi0A1 ALA 399 HA 0.15 0.02 0.38 -0.75 4.34 4.14 2oi0A1 ALA 399 HB3 0.25 0.02 0.03 -0.04 1.41 1.68 2oi0A1 ASP 400 H 0.08 0.64 -0.13 -0.55 8.40 8.44 2oi0A1 ASP 400 HA 0.09 0.01 0.38 -0.75 4.63 4.35 2oi0A1 ASP 400 HB2 0.04 0.10 0.07 -0.04 2.71 2.88 2oi0A1 ASP 400 HB3 0.04 0.02 -0.07 -0.04 2.70 2.65 2oi0A1 LEU 401 H 0.06 0.26 -0.52 -0.55 8.37 7.63 2oi0A1 LEU 401 HA 0.05 0.07 0.35 -0.75 4.35 4.07 2oi0A1 LEU 401 HB2 0.04 0.10 0.15 -0.04 1.64 1.89 2oi0A1 LEU 401 HB3 0.04 0.04 -0.00 -0.04 1.64 1.67 2oi0A1 LEU 401 HG 0.03 0.24 0.10 -0.04 1.64 1.97 2oi0A1 LEU 401 HD13 0.02 -0.03 -0.02 -0.04 0.93 0.87 2oi0A1 LEU 401 HD23 -0.00 0.02 -0.11 -0.04 0.89 0.76 2oi0A1 VAL 402 H 0.08 0.48 -0.05 -0.55 8.24 8.20 2oi0A1 VAL 402 HA 0.06 0.07 0.38 -0.75 4.13 3.89 2oi0A1 VAL 402 HB 0.11 0.06 0.12 -0.04 2.12 2.37 2oi0A1 VAL 402 HG13 0.08 -0.01 -0.21 -0.04 0.97 0.79 2oi0A1 VAL 402 HG23 0.03 0.05 0.03 -0.04 0.95 1.01 2oi0A1 THR 403 H 0.13 0.54 -0.19 -0.55 8.28 8.21 2oi0A1 THR 403 HA 0.05 -0.01 0.36 -0.75 4.39 4.04 2oi0A1 THR 403 HB 0.13 0.14 0.02 -0.04 4.32 4.58 2oi0A1 THR 403 HG23 -0.08 -0.01 -0.19 -0.04 1.22 0.89 2oi0A1 THR 404 H 0.13 0.52 -0.21 -0.55 8.28 8.16 2oi0A1 THR 404 HA 0.30 -0.00 0.41 -0.75 4.39 4.34 2oi0A1 THR 404 HB 0.07 0.15 0.13 -0.04 4.32 4.62 2oi0A1 THR 404 HG23 0.03 -0.02 -0.12 -0.04 1.22 1.06 2oi0A1 HIS 405 H 0.20 0.53 -0.32 -0.55 8.41 8.27 2oi0A1 HIS 405 HA 0.05 0.00 0.32 -0.75 4.63 4.25 2oi0A1 HIS 405 HB2 0.04 0.18 0.09 -0.04 3.26 3.52 2oi0A1 HIS 405 HB3 0.08 0.07 0.20 -0.04 3.20 3.50 2oi0A1 HIS 405 HD2 0.22 -0.06 -0.39 -0.04 6.97 6.70 2oi0A1 HIS 405 HE1 0.21 -0.01 -0.36 -0.04 7.75 7.55 2oi0A1 GLU 406 H 0.25 0.61 -0.04 -0.55 8.60 8.87 2oi0A1 GLU 406 HA 0.37 -0.00 0.31 -0.75 4.29 4.22 2oi0A1 GLU 406 HB2 0.19 0.05 0.02 -0.04 2.09 2.32 2oi0A1 GLU 406 HB3 0.30 -0.07 -0.09 -0.04 1.99 2.08 2oi0A1 GLU 406 HG2 0.20 0.37 -0.00 -0.04 2.34 2.87 2oi0A1 GLU 406 HG3 0.19 0.10 0.02 -0.04 2.34 2.61 2oi0A1 LEU 407 H 0.14 0.71 -0.17 -0.55 8.37 8.49 2oi0A1 LEU 407 HA 0.20 0.00 0.41 -0.75 4.35 4.20 2oi0A1 LEU 407 HB2 0.14 0.23 0.08 -0.04 1.64 2.05 2oi0A1 LEU 407 HB3 0.12 0.01 -0.14 -0.04 1.64 1.58 2oi0A1 LEU 407 HG 0.06 -0.00 -0.10 -0.04 1.64 1.56 2oi0A1 LEU 407 HD13 -0.13 -0.01 -0.15 -0.04 0.93 0.59 2oi0A1 LEU 407 HD23 -0.10 -0.01 -0.17 -0.04 0.89 0.58 2oi0A1 GLY 408 H 0.23 0.38 -0.55 -0.55 8.43 7.95 2oi0A1 GLY 408 HA2 0.29 0.01 0.30 -0.51 4.01 4.11 2oi0A1 GLY 408 HA3 0.25 0.08 0.23 -0.51 4.01 4.05 2oi0A1 HIS 409 H -0.02 0.40 -0.19 -0.55 8.41 8.06 2oi0A1 HIS 409 HA 0.03 0.36 0.60 -0.75 4.63 4.87 2oi0A1 HIS 409 HB2 0.07 0.15 0.06 -0.04 3.26 3.50 2oi0A1 HIS 409 HB3 0.03 -0.04 -0.31 -0.04 3.20 2.84 2oi0A1 HIS 409 HD2 0.11 -0.09 -0.08 -0.04 6.97 6.87 2oi0A1 HIS 409 HE1 -0.53 -0.19 -0.05 -0.04 7.75 6.93 2oi0A1 ASN 410 H 0.25 0.37 -0.18 -0.55 8.53 8.42 2oi0A1 ASN 410 HA 0.14 0.25 0.51 -0.75 4.76 4.90 2oi0A1 ASN 410 HB2 0.25 0.16 0.14 -0.04 2.88 3.38 2oi0A1 ASN 410 HB3 0.08 -0.06 -0.05 -0.04 2.79 2.71 2oi0A1 ASN 410 HD21 0.22 -0.08 -0.34 -0.04 7.03 6.80 2oi0A1 ASN 410 HD22 0.17 -0.04 -0.15 -0.04 7.74 7.69 2oi0A1 PHE 411 H 0.40 0.47 -0.33 -0.55 8.34 8.33 2oi0A1 PHE 411 HA -0.01 0.04 0.44 -0.75 4.62 4.34 2oi0A1 PHE 411 HB2 0.03 0.06 0.07 -0.04 3.15 3.26 2oi0A1 PHE 411 HB3 -0.20 -0.05 0.04 -0.04 3.06 2.80 2oi0A1 PHE 411 HD2 -0.08 0.14 -0.04 -0.04 7.28 7.25 2oi0A1 PHE 411 HE2 -0.07 -0.03 -0.13 -0.04 7.38 7.11 2oi0A1 PHE 411 HZ -0.25 0.02 -0.14 -0.04 7.32 6.91 2oi0A1 GLY 412 H 0.13 0.36 -0.50 -0.55 8.43 7.88 2oi0A1 GLY 412 HA2 0.05 0.10 0.05 -0.51 4.01 3.71 2oi0A1 GLY 412 HA3 0.01 0.13 0.44 -0.51 4.01 4.08 2oi0A1 ALA 413 H 0.08 0.55 0.19 -0.55 8.40 8.67 2oi0A1 ALA 413 HA 0.05 0.05 0.78 -0.75 4.34 4.47 2oi0A1 ALA 413 HB3 0.05 -0.01 -0.07 -0.04 1.41 1.34 2oi0A1 GLU 414 H 0.06 0.10 0.13 -0.55 8.60 8.34 2oi0A1 GLU 414 HA 0.11 0.14 0.77 -0.75 4.29 4.55 2oi0A1 GLU 414 HB2 0.06 0.03 0.03 -0.04 2.09 2.16 2oi0A1 GLU 414 HB3 0.03 -0.09 0.15 -0.04 1.99 2.04 2oi0A1 GLU 414 HG2 0.05 0.07 -0.05 -0.04 2.34 2.36 2oi0A1 GLU 414 HG3 0.03 -0.03 0.03 -0.04 2.34 2.33 2oi0A1 HIS 415 H -0.04 0.04 0.10 -0.55 8.41 7.97 2oi0A1 HIS 415 HA 0.08 0.27 0.50 -0.75 4.63 4.72 2oi0A1 HIS 415 HB2 0.08 -0.11 0.05 -0.04 3.26 3.24 2oi0A1 HIS 415 HB3 0.05 0.10 0.05 -0.04 3.20 3.36 2oi0A1 HIS 415 HD2 0.29 0.13 -0.07 -0.04 6.97 7.28 2oi0A1 HIS 415 HE1 0.07 -0.04 0.04 -0.04 7.75 7.78 2oi0A1 ASP 416 H 0.21 0.47 0.07 -0.55 8.40 8.60 2oi0A1 ASP 416 HA 0.14 0.04 0.60 -0.75 4.63 4.65 2oi0A1 ASP 416 HB2 0.32 -0.06 -0.01 -0.04 2.71 2.93 2oi0A1 ASP 416 HB3 0.23 0.19 -0.09 -0.04 2.70 2.99 2oi0A1 PRO 417 HA 0.10 0.07 0.51 -0.51 4.44 4.61 2oi0A1 PRO 417 HB2 0.07 -0.17 0.06 -0.04 2.28 2.20 2oi0A1 PRO 417 HB3 0.08 0.12 0.10 -0.04 2.02 2.27 2oi0A1 PRO 417 HG2 0.08 -0.16 0.16 -0.04 2.03 2.07 2oi0A1 PRO 417 HG3 0.07 0.09 0.11 -0.04 2.03 2.25 2oi0A1 PRO 417 HD2 0.10 0.02 0.21 -0.04 3.68 3.97 2oi0A1 PRO 417 HD3 0.10 0.36 0.26 -0.04 3.65 4.32 2oi0A1 ASP 418 H 0.11 0.17 0.14 -0.55 8.40 8.28 2oi0A1 ASP 418 HA 0.23 0.14 0.20 -0.75 4.63 4.45 2oi0A1 ASP 418 HB2 0.15 0.01 0.12 -0.04 2.71 2.95 2oi0A1 ASP 418 HB3 0.10 -0.02 -0.04 -0.04 2.70 2.70 2oi0A1 GLY 419 H 0.08 -0.09 -0.72 -0.55 8.43 7.15 2oi0A1 GLY 419 HA2 0.05 0.07 0.41 -0.51 4.01 4.02 2oi0A1 GLY 419 HA3 0.05 -0.03 0.22 -0.51 4.01 3.74 2oi0A1 LEU 420 H 0.06 0.13 -0.07 -0.55 8.37 7.94 2oi0A1 LEU 420 HA 0.04 0.01 0.35 -0.75 4.35 4.00 2oi0A1 LEU 420 HB2 0.06 0.11 0.16 -0.04 1.64 1.93 2oi0A1 LEU 420 HB3 0.04 -0.13 0.02 -0.04 1.64 1.53 2oi0A1 LEU 420 HG 0.04 0.03 0.03 -0.04 1.64 1.70 2oi0A1 LEU 420 HD13 0.03 0.01 -0.00 -0.04 0.93 0.92 2oi0A1 LEU 420 HD23 0.04 -0.01 0.04 -0.04 0.89 0.92 2oi0A1 ALA 421 H 0.03 0.21 0.27 -0.55 8.40 8.36 2oi0A1 ALA 421 HA 0.03 0.24 0.19 -0.75 4.34 4.04 2oi0A1 ALA 421 HB3 0.02 0.01 0.08 -0.04 1.41 1.48 2oi0A1 GLU 422 H 0.03 0.06 -0.28 -0.55 8.60 7.87 2oi0A1 GLU 422 HA 0.06 0.15 0.41 -0.75 4.29 4.16 2oi0A1 GLU 422 HB2 0.03 0.06 0.10 -0.04 2.09 2.24 2oi0A1 GLU 422 HB3 0.02 -0.03 0.06 -0.04 1.99 2.01 2oi0A1 GLU 422 HG2 0.02 -0.04 -0.09 -0.04 2.34 2.19 2oi0A1 GLU 422 HG3 0.01 0.02 -0.56 -0.04 2.34 1.78 2oi0A1 CYS 423 H 0.06 0.41 -0.54 -0.55 8.50 7.89 2oi0A1 CYS 423 HA 0.04 0.08 0.90 -0.75 4.58 4.86 2oi0A1 CYS 423 HB2 0.07 0.15 0.05 -0.04 2.97 3.19 2oi0A1 CYS 423 HB3 0.07 -0.06 0.15 -0.04 2.97 3.09 2oi0A1 ALA 424 H 0.08 0.16 -0.34 -0.55 8.40 7.75 2oi0A1 ALA 424 HA 0.01 0.03 0.50 -0.75 4.34 4.13 2oi0A1 ALA 424 HB3 0.05 0.01 -0.16 -0.04 1.41 1.26 2oi0A1 PRO 425 HA -0.03 0.01 0.35 -0.51 4.44 4.26 2oi0A1 PRO 425 HB2 -0.13 0.10 -0.27 -0.04 2.28 1.94 2oi0A1 PRO 425 HB3 -0.03 -0.00 0.00 -0.04 2.02 1.94 2oi0A1 PRO 425 HG2 -0.03 0.07 -0.09 -0.04 2.03 1.94 2oi0A1 PRO 425 HG3 0.13 0.04 -0.04 -0.04 2.03 2.12 2oi0A1 PRO 425 HD2 -0.06 0.09 -0.13 -0.04 3.68 3.53 2oi0A1 PRO 425 HD3 0.23 -0.05 -0.52 -0.04 3.65 3.27 2oi0A1 ASN 426 H -0.05 0.09 0.12 -0.55 8.53 8.14 2oi0A1 ASN 426 HA -0.11 0.17 0.44 -0.75 4.76 4.51 2oi0A1 ASN 426 HB2 -0.04 0.00 0.03 -0.04 2.88 2.83 2oi0A1 ASN 426 HB3 -0.05 -0.10 0.10 -0.04 2.79 2.69 2oi0A1 ASN 426 HD21 -0.02 0.05 0.03 -0.04 7.03 7.05 2oi0A1 ASN 426 HD22 -0.02 -0.02 0.04 -0.04 7.74 7.70 2oi0A1 GLU 427 H -0.11 0.20 0.16 -0.55 8.60 8.31 2oi0A1 GLU 427 HA -0.25 0.09 0.36 -0.75 4.29 3.74 2oi0A1 GLU 427 HB2 -0.11 0.05 0.17 -0.04 2.09 2.15 2oi0A1 GLU 427 HB3 -0.05 -0.03 0.11 -0.04 1.99 1.98 2oi0A1 GLU 427 HG2 0.03 0.02 -0.04 -0.04 2.34 2.31 2oi0A1 GLU 427 HG3 -0.00 -0.01 -0.03 -0.04 2.34 2.26 2oi0A1 ASP 428 H -0.04 0.10 -0.12 -0.55 8.40 7.79 2oi0A1 ASP 428 HA -0.00 0.13 0.47 -0.75 4.63 4.48 2oi0A1 ASP 428 HB2 -0.01 0.06 0.15 -0.04 2.71 2.87 2oi0A1 ASP 428 HB3 -0.01 0.01 0.08 -0.04 2.70 2.74 2oi0A1 GLN 429 H -0.06 0.49 -1.00 -0.55 8.47 7.35 2oi0A1 GLN 429 HA -0.03 0.19 0.83 -0.75 4.36 4.60 2oi0A1 GLN 429 HB2 -0.06 0.09 0.02 -0.04 2.15 2.15 2oi0A1 GLN 429 HB3 -0.03 0.04 0.13 -0.04 2.02 2.11 2oi0A1 GLN 429 HG2 -0.03 -0.11 -0.23 -0.04 2.40 1.99 2oi0A1 GLN 429 HG3 -0.02 -0.06 0.02 -0.04 2.39 2.28 2oi0A1 GLN 429 HE21 -0.00 0.02 0.01 -0.04 6.97 6.95 2oi0A1 GLN 429 HE22 -0.00 -0.04 0.00 -0.04 7.69 7.61 2oi0A1 GLY 430 H -0.04 0.44 -0.02 -0.55 8.43 8.26 2oi0A1 GLY 430 HA2 -0.02 -0.08 0.33 -0.51 4.01 3.73 2oi0A1 GLY 430 HA3 -0.08 0.20 0.83 -0.51 4.01 4.45 2oi0A1 GLY 431 H -0.16 0.31 -0.23 -0.55 8.43 7.80 2oi0A1 GLY 431 HA2 -0.33 -0.05 0.08 -0.51 4.01 3.20 2oi0A1 GLY 431 HA3 -0.32 0.02 0.24 -0.51 4.01 3.43 2oi0A1 LYS 432 H -0.30 0.02 0.06 -0.55 8.42 7.64 2oi0A1 LYS 432 HA -0.26 0.08 0.29 -0.75 4.32 3.68 2oi0A1 LYS 432 HB2 -0.24 -0.03 0.09 -0.04 1.87 1.65 2oi0A1 LYS 432 HB3 -0.17 0.12 0.08 -0.04 1.79 1.78 2oi0A1 LYS 432 HG2 -2.15 -0.03 0.01 -0.04 1.46 -0.75 2oi0A1 LYS 432 HG3 -0.76 0.02 -0.06 -0.04 1.46 0.63 2oi0A1 LYS 432 HD2 -0.38 -0.05 -0.08 -0.04 1.69 1.13 2oi0A1 LYS 432 HD3 -0.41 -0.04 0.02 -0.04 1.68 1.20 2oi0A1 LYS 432 HE2 -0.27 -0.14 -0.06 -0.04 2.99 2.48 2oi0A1 LYS 432 HE3 -0.46 -0.05 -0.04 -0.04 2.99 2.39 2oi0A1 TYR 433 H 0.13 0.09 0.11 -0.55 8.29 8.06 2oi0A1 TYR 433 HA -0.05 0.54 0.69 -0.75 4.56 4.98 2oi0A1 TYR 433 HB2 0.03 -0.09 0.13 -0.04 3.06 3.09 2oi0A1 TYR 433 HB3 -0.04 0.06 0.24 -0.04 2.98 3.20 2oi0A1 TYR 433 HD2 -0.03 0.08 -0.25 -0.04 7.15 6.92 2oi0A1 TYR 433 HE2 -0.02 0.04 -0.12 -0.04 6.85 6.72 2oi0A1 VAL 434 H -0.00 0.63 0.31 -0.55 8.24 8.63 2oi0A1 VAL 434 HA 0.03 0.12 0.22 -0.75 4.13 3.74 2oi0A1 VAL 434 HB -0.24 0.16 0.15 -0.04 2.12 2.16 2oi0A1 VAL 434 HG13 -0.74 -0.00 -0.15 -0.04 0.97 0.04 2oi0A1 VAL 434 HG23 -0.05 -0.04 -0.03 -0.04 0.95 0.80 2oi0A1 MET 435 H 0.09 -0.01 -0.22 -0.55 8.47 7.77 2oi0A1 MET 435 HA 0.08 0.20 0.57 -0.75 4.52 4.62 2oi0A1 MET 435 HB2 0.13 -0.11 0.06 -0.04 2.15 2.18 2oi0A1 MET 435 HB3 0.05 0.06 0.11 -0.04 2.03 2.20 2oi0A1 MET 435 HG2 0.14 -0.07 -0.04 -0.04 2.63 2.62 2oi0A1 MET 435 HG3 0.12 0.03 -0.07 -0.04 2.56 2.59 2oi0A1 MET 435 HE3 -0.93 0.00 -0.24 -0.04 2.10 0.89 2oi0A1 TYR 436 H 0.28 0.53 -0.35 -0.55 8.29 8.20 2oi0A1 TYR 436 HA 0.08 0.10 0.78 -0.75 4.56 4.77 2oi0A1 TYR 436 HB2 0.07 -0.00 0.16 -0.04 3.06 3.24 2oi0A1 TYR 436 HB3 0.03 0.07 0.14 -0.04 2.98 3.17 2oi0A1 TYR 436 HD2 0.02 0.09 0.00 -0.04 7.15 7.22 2oi0A1 TYR 436 HE2 0.00 -0.05 -0.05 -0.04 6.85 6.70 2oi0A1 PRO 437 HA -0.29 0.12 0.29 -0.51 4.44 4.05 2oi0A1 PRO 437 HB2 -0.50 -0.02 0.21 -0.04 2.28 1.92 2oi0A1 PRO 437 HB3 -1.65 0.02 0.12 -0.04 2.02 0.46 2oi0A1 PRO 437 HG2 -0.54 -0.01 0.02 -0.04 2.03 1.45 2oi0A1 PRO 437 HG3 -0.39 0.00 0.08 -0.04 2.03 1.69 2oi0A1 PRO 437 HD2 -0.95 0.10 0.23 -0.04 3.68 3.02 2oi0A1 PRO 437 HD3 -0.17 0.21 0.35 -0.04 3.65 4.00 2oi0A1 ILE 438 H -0.17 0.30 -0.47 -0.55 8.25 7.36 2oi0A1 ILE 438 HA -0.09 0.12 0.40 -0.75 4.18 3.87 2oi0A1 ILE 438 HB 0.01 -0.02 0.03 -0.04 1.89 1.87 2oi0A1 ILE 438 HG12 0.25 -0.01 -0.07 -0.04 1.49 1.62 2oi0A1 ILE 438 HG13 0.32 0.00 0.02 -0.04 1.21 1.51 2oi0A1 ILE 438 HG23 -0.16 0.01 -0.20 -0.04 0.93 0.54 2oi0A1 ILE 438 HD13 0.11 -0.01 -0.41 -0.04 0.88 0.52 2oi0A1 ALA 439 H -0.01 0.15 0.03 -0.55 8.40 8.03 2oi0A1 ALA 439 HA 0.03 0.19 0.49 -0.75 4.34 4.29 2oi0A1 ALA 439 HB3 0.00 -0.00 0.11 -0.04 1.41 1.48 2oi0A1 VAL 440 H 0.08 0.43 0.16 -0.55 8.24 8.37 2oi0A1 VAL 440 HA 0.05 -0.07 0.38 -0.75 4.13 3.74 2oi0A1 VAL 440 HB 0.05 -0.04 0.07 -0.04 2.12 2.15 2oi0A1 VAL 440 HG13 -0.01 0.03 0.13 -0.04 0.97 1.07 2oi0A1 VAL 440 HG23 -0.03 0.05 -0.05 -0.04 0.95 0.88 2oi0A1 SER 441 H 0.06 -0.00 0.20 -0.55 8.46 8.16 2oi0A1 SER 441 HA 0.06 0.07 0.35 -0.75 4.49 4.21 2oi0A1 SER 441 HB2 0.05 -0.03 0.10 -0.04 3.95 4.03 2oi0A1 SER 441 HB3 0.04 -0.10 0.12 -0.04 3.93 3.95 2oi0A1 GLY 442 H 0.03 0.00 0.09 -0.55 8.43 8.01 2oi0A1 GLY 442 HA2 -0.05 -0.05 0.38 -0.51 4.01 3.78 2oi0A1 GLY 442 HA3 -0.02 0.09 0.48 -0.51 4.01 4.05 2oi0A1 ASP 443 H -0.17 0.11 0.09 -0.55 8.40 7.89 2oi0A1 ASP 443 HA -0.01 0.26 0.99 -0.75 4.63 5.11 2oi0A1 ASP 443 HB2 -0.05 0.08 -0.05 -0.04 2.71 2.64 2oi0A1 ASP 443 HB3 -0.03 -0.01 -0.03 -0.04 2.70 2.59 2oi0A1 HIS 444 H 0.14 0.26 0.10 -0.55 8.41 8.37 2oi0A1 HIS 444 HA -0.05 0.14 0.81 -0.75 4.63 4.77 2oi0A1 HIS 444 HB2 -0.10 0.04 -0.04 -0.04 3.26 3.12 2oi0A1 HIS 444 HB3 -0.09 0.03 -0.15 -0.04 3.20 2.95 2oi0A1 HIS 444 HD2 -0.05 0.03 -0.09 -0.04 6.97 6.82 2oi0A1 HIS 444 HE1 -0.03 0.43 -0.01 -0.04 7.75 8.10 2oi0A1 GLU 445 H 0.01 0.14 0.15 -0.55 8.60 8.35 2oi0A1 GLU 445 HA -0.03 0.03 0.20 -0.75 4.29 3.74 2oi0A1 GLU 445 HB2 -0.03 -0.03 0.13 -0.04 2.09 2.12 2oi0A1 GLU 445 HB3 -0.05 0.04 0.17 -0.04 1.99 2.11 2oi0A1 GLU 445 HG2 -0.04 0.05 -0.27 -0.04 2.34 2.04 2oi0A1 GLU 445 HG3 -0.03 -0.01 -0.00 -0.04 2.34 2.26 2oi0A1 ASN 446 H -0.13 0.46 -0.16 -0.55 8.53 8.16 2oi0A1 ASN 446 HA -0.21 -0.00 0.22 -0.75 4.76 4.01 2oi0A1 ASN 446 HB2 -0.46 0.23 -0.46 -0.04 2.88 2.15 2oi0A1 ASN 446 HB3 -1.35 -0.16 -0.30 -0.04 2.79 0.93 2oi0A1 ASN 446 HD21 -0.23 -0.03 -0.10 -0.04 7.03 6.63 2oi0A1 ASN 446 HD22 -0.50 0.47 -0.22 -0.04 7.74 7.45 2oi0A1 ASN 447 H -0.07 0.36 -0.38 -0.55 8.53 7.89 2oi0A1 ASN 447 HA -0.05 0.15 0.25 -0.75 4.76 4.35 2oi0A1 ASN 447 HB2 -0.01 0.10 0.11 -0.04 2.88 3.04 2oi0A1 ASN 447 HB3 0.00 -0.06 -0.01 -0.04 2.79 2.68 2oi0A1 ASN 447 HD21 -0.05 -0.17 0.03 -0.04 7.03 6.80 2oi0A1 ASN 447 HD22 -0.07 0.43 -0.03 -0.04 7.74 8.03 2oi0A1 LYS 448 H -0.05 0.28 -0.31 -0.55 8.42 7.79 2oi0A1 LYS 448 HA -0.08 0.15 0.79 -0.75 4.32 4.43 2oi0A1 LYS 448 HB2 -0.03 -0.01 0.16 -0.04 1.87 1.94 2oi0A1 LYS 448 HB3 -0.02 -0.06 -0.02 -0.04 1.79 1.65 2oi0A1 LYS 448 HG2 -0.03 0.18 -0.02 -0.04 1.46 1.55 2oi0A1 LYS 448 HG3 -0.03 -0.00 0.02 -0.04 1.46 1.41 2oi0A1 LYS 448 HD2 -0.02 -0.02 -0.05 -0.04 1.69 1.56 2oi0A1 LYS 448 HD3 -0.02 -0.02 -0.03 -0.04 1.68 1.58 2oi0A1 LYS 448 HE2 -0.01 0.03 -0.00 -0.04 2.99 2.97 2oi0A1 LYS 448 HE3 -0.01 -0.01 -0.03 -0.04 2.99 2.89 2oi0A1 MET 449 H -0.05 0.56 -0.31 -0.55 8.47 8.13 2oi0A1 MET 449 HA -0.07 0.18 0.76 -0.75 4.52 4.63 2oi0A1 MET 449 HB2 0.27 0.00 -0.02 -0.04 2.15 2.36 2oi0A1 MET 449 HB3 0.11 -0.01 0.07 -0.04 2.03 2.15 2oi0A1 MET 449 HG2 -0.01 0.17 -0.42 -0.04 2.63 2.33 2oi0A1 MET 449 HG3 -0.01 0.08 -0.20 -0.04 2.56 2.40 2oi0A1 MET 449 HE3 0.15 -0.01 -0.06 -0.04 2.10 2.14 2oi0A1 PHE 450 H 0.08 0.23 0.12 -0.55 8.34 8.21 2oi0A1 PHE 450 HA 0.01 -0.01 0.89 -0.75 4.62 4.76 2oi0A1 PHE 450 HB2 -0.23 0.04 0.09 -0.04 3.15 3.02 2oi0A1 PHE 450 HB3 0.03 -0.00 -0.06 -0.04 3.06 2.99 2oi0A1 PHE 450 HD2 -0.14 -0.02 -0.05 -0.04 7.28 7.02 2oi0A1 PHE 450 HE2 -0.36 0.02 -0.13 -0.04 7.38 6.86 2oi0A1 PHE 450 HZ -0.39 0.07 -0.11 -0.04 7.32 6.85 2oi0A1 SER 451 H -0.08 0.05 0.19 -0.55 8.46 8.08 2oi0A1 SER 451 HA -1.17 0.20 0.49 -0.75 4.49 3.26 2oi0A1 SER 451 HB2 -0.28 0.01 0.27 -0.04 3.95 3.90 2oi0A1 SER 451 HB3 -0.30 0.15 0.22 -0.04 3.93 3.96 2oi0A1 GLN 452 H -0.24 0.26 0.20 -0.55 8.47 8.14 2oi0A1 GLN 452 HA -0.04 0.17 0.50 -0.75 4.36 4.23 2oi0A1 GLN 452 HB2 -0.05 -0.04 0.06 -0.04 2.15 2.08 2oi0A1 GLN 452 HB3 -0.03 0.04 0.04 -0.04 2.02 2.02 2oi0A1 GLN 452 HG2 -0.10 0.01 0.12 -0.04 2.40 2.40 2oi0A1 GLN 452 HG3 -0.04 0.01 0.05 -0.04 2.39 2.37 2oi0A1 GLN 452 HE21 -0.05 0.06 -0.01 -0.04 6.97 6.93 2oi0A1 GLN 452 HE22 -0.07 0.00 0.02 -0.04 7.69 7.60 2oi0A1 CYS 453 H -0.04 0.06 -0.20 -0.55 8.50 7.76 2oi0A1 CYS 453 HA 0.02 0.11 0.49 -0.75 4.58 4.45 2oi0A1 CYS 453 HB2 0.04 -0.05 0.09 -0.04 2.97 3.00 2oi0A1 CYS 453 HB3 0.05 0.11 -0.02 -0.04 2.97 3.07 2oi0A1 SER 454 H 0.06 0.00 -0.20 -0.55 8.46 7.77 2oi0A1 SER 454 HA 0.11 0.09 0.49 -0.75 4.49 4.42 2oi0A1 SER 454 HB2 0.28 0.08 0.06 -0.04 3.95 4.34 2oi0A1 SER 454 HB3 0.37 0.06 -0.02 -0.04 3.93 4.30 2oi0A1 LYS 455 H 0.11 0.58 -0.18 -0.55 8.42 8.38 2oi0A1 LYS 455 HA 0.51 -0.00 0.26 -0.75 4.32 4.34 2oi0A1 LYS 455 HB2 0.06 -0.05 0.14 -0.04 1.87 1.98 2oi0A1 LYS 455 HB3 0.17 0.23 0.07 -0.04 1.79 2.21 2oi0A1 LYS 455 HG2 0.05 -0.07 -0.07 -0.04 1.46 1.32 2oi0A1 LYS 455 HG3 0.05 0.17 -0.20 -0.04 1.46 1.44 2oi0A1 LYS 455 HD2 -0.04 -0.09 -0.08 -0.04 1.69 1.43 2oi0A1 LYS 455 HD3 -0.04 0.08 -0.05 -0.04 1.68 1.64 2oi0A1 LYS 455 HE2 -0.28 -0.09 -0.09 -0.04 2.99 2.50 2oi0A1 LYS 455 HE3 -0.10 0.24 0.00 -0.04 2.99 3.08 2oi0A1 GLN 456 H 0.07 0.44 -0.28 -0.55 8.47 8.16 2oi0A1 GLN 456 HA 0.04 0.04 0.45 -0.75 4.36 4.13 2oi0A1 GLN 456 HB2 0.03 0.05 0.15 -0.04 2.15 2.34 2oi0A1 GLN 456 HB3 0.02 -0.06 0.06 -0.04 2.02 2.00 2oi0A1 GLN 456 HG2 0.00 -0.01 0.12 -0.04 2.40 2.47 2oi0A1 GLN 456 HG3 0.02 0.07 0.16 -0.04 2.39 2.60 2oi0A1 GLN 456 HE21 0.00 -0.04 0.01 -0.04 6.97 6.89 2oi0A1 GLN 456 HE22 0.01 0.03 0.02 -0.04 7.69 7.71 2oi0A1 SER 457 H 0.05 0.33 -0.12 -0.55 8.46 8.18 2oi0A1 SER 457 HA 0.02 -0.02 0.35 -0.75 4.49 4.09 2oi0A1 SER 457 HB2 0.03 0.01 0.04 -0.04 3.95 3.99 2oi0A1 SER 457 HB3 0.02 0.27 0.11 -0.04 3.93 4.29 2oi0A1 ILE 458 H -0.00 0.59 -0.12 -0.55 8.25 8.16 2oi0A1 ILE 458 HA -0.15 0.28 0.24 -0.75 4.18 3.80 2oi0A1 ILE 458 HB -0.40 0.01 -0.02 -0.04 1.89 1.44 2oi0A1 ILE 458 HG12 -0.11 0.05 -0.35 -0.04 1.49 1.04 2oi0A1 ILE 458 HG13 -0.07 0.04 -0.11 -0.04 1.21 1.04 2oi0A1 ILE 458 HG23 -1.32 -0.00 -0.12 -0.04 0.93 -0.56 2oi0A1 ILE 458 HD13 -0.32 -0.04 -0.11 -0.04 0.88 0.37 2oi0A1 TYR 459 H 0.09 0.51 -0.29 -0.55 8.29 8.05 2oi0A1 TYR 459 HA -0.16 -0.03 0.42 -0.75 4.56 4.04 2oi0A1 TYR 459 HB2 0.12 0.09 0.12 -0.04 3.06 3.35 2oi0A1 TYR 459 HB3 -0.03 0.14 0.21 -0.04 2.98 3.26 2oi0A1 TYR 459 HD2 -0.06 -0.03 -0.11 -0.04 7.15 6.91 2oi0A1 TYR 459 HE2 -0.66 -0.04 -0.01 -0.04 6.85 6.09 2oi0A1 LYS 460 H 0.07 0.48 -0.04 -0.55 8.42 8.36 2oi0A1 LYS 460 HA -0.16 -0.01 0.41 -0.75 4.32 3.81 2oi0A1 LYS 460 HB2 -0.00 0.18 0.19 -0.04 1.87 2.19 2oi0A1 LYS 460 HB3 -0.05 -0.04 -0.01 -0.04 1.79 1.65 2oi0A1 LYS 460 HG2 0.11 -0.00 0.07 -0.04 1.46 1.60 2oi0A1 LYS 460 HG3 0.02 -0.04 0.05 -0.04 1.46 1.44 2oi0A1 LYS 460 HD2 -0.03 -0.02 0.03 -0.04 1.69 1.63 2oi0A1 LYS 460 HD3 -0.05 0.01 0.07 -0.04 1.68 1.68 2oi0A1 LYS 460 HE2 0.00 -0.01 0.01 -0.04 2.99 2.95 2oi0A1 LYS 460 HE3 0.05 0.00 0.01 -0.04 2.99 3.02 2oi0A1 THR 461 H -0.13 0.40 -0.34 -0.55 8.28 7.66 2oi0A1 THR 461 HA -0.14 -0.03 0.25 -0.75 4.39 3.72 2oi0A1 THR 461 HB -0.13 0.19 0.19 -0.04 4.32 4.52 2oi0A1 THR 461 HG23 -0.14 -0.01 -0.26 -0.04 1.22 0.77 2oi0A1 ILE 462 H -0.27 0.66 -0.00 -0.55 8.25 8.08 2oi0A1 ILE 462 HA -0.41 0.00 0.48 -0.75 4.18 3.50 2oi0A1 ILE 462 HB -0.34 0.07 0.21 -0.04 1.89 1.79 2oi0A1 ILE 462 HG12 -0.04 -0.06 0.01 -0.04 1.49 1.36 2oi0A1 ILE 462 HG13 -0.29 0.27 0.12 -0.04 1.21 1.27 2oi0A1 ILE 462 HG23 -0.75 -0.02 -0.15 -0.04 0.93 -0.03 2oi0A1 ILE 462 HD13 -0.72 -0.03 -0.05 -0.04 0.88 0.04 2oi0A1 GLU 463 H -0.39 0.70 -0.00 -0.55 8.60 8.36 2oi0A1 GLU 463 HA -0.12 -0.05 0.26 -0.75 4.29 3.63 2oi0A1 GLU 463 HB2 -0.80 0.01 0.11 -0.04 2.09 1.37 2oi0A1 GLU 463 HB3 -0.36 0.11 0.11 -0.04 1.99 1.80 2oi0A1 GLU 463 HG2 -0.16 -0.00 -0.06 -0.04 2.34 2.08 2oi0A1 GLU 463 HG3 -0.25 -0.02 0.03 -0.04 2.34 2.06 2oi0A1 SER 464 H -0.22 0.29 -0.76 -0.55 8.46 7.23 2oi0A1 SER 464 HA -0.13 0.01 0.59 -0.75 4.49 4.21 2oi0A1 SER 464 HB2 -0.12 -0.10 0.12 -0.04 3.95 3.81 2oi0A1 SER 464 HB3 -0.15 0.15 0.20 -0.04 3.93 4.09 2oi0A1 LYS 465 H -0.30 0.44 0.08 -0.55 8.42 8.08 2oi0A1 LYS 465 HA -0.20 0.17 0.65 -0.75 4.32 4.19 2oi0A1 LYS 465 HB2 -0.39 0.02 0.04 -0.04 1.87 1.50 2oi0A1 LYS 465 HB3 -0.27 -0.06 -0.01 -0.04 1.79 1.41 2oi0A1 LYS 465 HG2 -0.18 -0.03 -0.00 -0.04 1.46 1.21 2oi0A1 LYS 465 HG3 -0.18 0.02 -0.01 -0.04 1.46 1.25 2oi0A1 LYS 465 HD2 -0.14 0.06 0.01 -0.04 1.69 1.58 2oi0A1 LYS 465 HD3 -0.14 -0.05 -0.16 -0.04 1.68 1.29 2oi0A1 LYS 465 HE2 -0.10 -0.11 -0.08 -0.04 2.99 2.65 2oi0A1 LYS 465 HE3 -0.10 0.08 0.04 -0.04 2.99 2.97 2oi0A1 ALA 466 H -0.43 0.56 0.10 -0.55 8.40 8.08 2oi0A1 ALA 466 HA -1.29 -0.02 0.29 -0.75 4.34 2.57 2oi0A1 ALA 466 HB3 -0.23 0.06 0.06 -0.04 1.41 1.27 2oi0A1 GLN 467 H -0.13 0.18 -0.14 -0.55 8.47 7.83 2oi0A1 GLN 467 HA -0.02 0.02 0.36 -0.75 4.36 3.97 2oi0A1 GLN 467 HB2 -0.03 -0.03 0.08 -0.04 2.15 2.12 2oi0A1 GLN 467 HB3 -0.07 0.06 0.01 -0.04 2.02 1.99 2oi0A1 GLN 467 HG2 -0.03 -0.03 -0.04 -0.04 2.40 2.26 2oi0A1 GLN 467 HG3 -0.03 0.07 -0.26 -0.04 2.39 2.12 2oi0A1 GLN 467 HE21 -0.01 -0.06 0.01 -0.04 6.97 6.87 2oi0A1 GLN 467 HE22 -0.01 0.00 -0.01 -0.04 7.69 7.63 2oi0A1 GLU 468 H -0.14 0.15 -0.64 -0.55 8.60 7.42 2oi0A1 GLU 468 HA -0.05 -0.01 0.35 -0.75 4.29 3.83 2oi0A1 GLU 468 HB2 -0.09 -0.07 0.09 -0.04 2.09 1.98 2oi0A1 GLU 468 HB3 -0.13 0.26 0.20 -0.04 1.99 2.28 2oi0A1 GLU 468 HG2 -0.06 0.02 -0.25 -0.04 2.34 2.01 2oi0A1 GLU 468 HG3 -0.05 -0.09 0.02 -0.04 2.34 2.17 2oi0A1 CYS 469 H -0.08 0.27 0.10 -0.55 8.50 8.24 2oi0A1 CYS 469 HA 0.02 0.19 0.75 -0.75 4.58 4.79 2oi0A1 CYS 469 HB2 -0.01 -0.01 0.12 -0.04 2.97 3.03 2oi0A1 CYS 469 HB3 -0.03 0.01 -0.25 -0.04 2.97 2.66 2oi0A1 PHE 470 H 0.14 0.50 0.20 -0.55 8.34 8.62 2oi0A1 PHE 470 HA -0.02 0.13 0.92 -0.75 4.62 4.90 2oi0A1 PHE 470 HB2 0.03 0.20 0.06 -0.04 3.15 3.40 2oi0A1 PHE 470 HB3 0.06 -0.20 -0.31 -0.04 3.06 2.56 2oi0A1 PHE 470 HD2 0.10 0.03 -0.37 -0.04 7.28 6.99 2oi0A1 PHE 470 HE2 -0.11 -0.01 -0.14 -0.04 7.38 7.08 2oi0A1 PHE 470 HZ -0.41 0.00 -0.12 -0.04 7.32 6.75 2oi0A1 GLN 471 H 0.04 0.62 0.32 -0.55 8.47 8.91 2oi0A1 GLN 471 HA 0.05 0.34 0.94 -0.75 4.36 4.94 2oi0A1 GLN 471 HB2 -0.00 -0.04 0.02 -0.04 2.15 2.08 2oi0A1 GLN 471 HB3 0.01 -0.14 0.18 -0.04 2.02 2.03 2oi0A1 GLN 471 HG2 0.02 0.14 -0.15 -0.04 2.40 2.37 2oi0A1 GLN 471 HG3 0.02 0.04 -0.28 -0.04 2.39 2.13 2oi0A1 GLN 471 HE21 -0.01 -0.04 0.02 -0.04 6.97 6.89 2oi0A1 GLN 471 HE22 -0.01 0.11 -0.03 -0.04 7.69 7.72 2oi0A1 GLU 472 H 0.01 0.10 0.14 -0.55 8.60 8.30 2oi0A1 GLU 472 HA -0.00 0.17 0.61 -0.75 4.29 4.31 2oi0A1 GLU 472 HB2 -0.01 0.01 -0.10 -0.04 2.09 1.96 2oi0A1 GLU 472 HB3 -0.01 0.05 0.12 -0.04 1.99 2.11 2oi0A1 GLU 472 HG2 0.00 -0.05 0.07 -0.04 2.34 2.32 2oi0A1 GLU 472 HG3 0.01 0.25 0.17 -0.04 2.34 2.72 2oi0A1 ARG 473 H -0.02 0.20 0.16 -0.55 8.46 8.25 2oi0A1 ARG 473 HA -0.02 0.04 0.52 -0.75 4.34 4.12 2oi0A1 ARG 473 HB2 -0.02 -0.02 0.10 -0.04 1.90 1.92 2oi0A1 ARG 473 HB3 -0.02 -0.00 -0.03 -0.04 1.80 1.71 2oi0A1 ARG 473 HG2 -0.03 -0.02 -0.08 -0.04 1.67 1.50 2oi0A1 ARG 473 HG3 -0.04 0.04 0.03 -0.04 1.67 1.66 2oi0A1 ARG 473 HD2 -0.03 0.16 -0.01 -0.04 3.22 3.30 2oi0A1 ARG 473 HD3 -0.03 -0.03 -0.00 -0.04 3.22 3.12 2oi0A1 SER 474 H -0.01 0.24 0.18 -0.55 8.46 8.33 2oi0A1 SER 474 HA -0.01 0.14 0.68 -0.75 4.49 4.55 2oi0A1 SER 474 HB2 -0.01 -0.10 0.00 -0.04 3.95 3.80 2oi0A1 SER 474 HB3 -0.01 0.12 -0.28 -0.04 3.93 3.72 2oi0A1 ASN 475 H -0.00 0.18 -0.03 -0.55 8.53 8.12 2oi0A1 ASN 475 HA -0.00 0.19 0.75 -0.75 4.76 4.95 2oi0A1 ASN 475 HB2 -0.00 0.02 -0.07 -0.04 2.88 2.78 2oi0A1 ASN 475 HB3 -0.00 -0.03 0.15 -0.04 2.79 2.87 2oi0A1 ASN 475 HD21 -0.00 -0.01 -0.01 -0.04 7.03 6.97 2oi0A1 ASN 475 HD22 -0.00 -0.03 0.03 -0.04 7.74 7.69 2oi0A1 LYS 476 H -0.00 0.15 -0.15 -0.55 8.42 7.87 2oi0A1 LYS 476 HA -0.00 0.06 0.33 -0.75 4.32 3.95 2oi0A1 LYS 476 HB2 -0.00 0.02 -0.22 -0.04 1.87 1.62 2oi0A1 LYS 476 HB3 -0.00 -0.03 0.02 -0.04 1.79 1.74 2oi0A1 LYS 476 HG2 -0.00 -0.00 -0.03 -0.04 1.46 1.38 2oi0A1 LYS 476 HG3 -0.00 -0.02 -0.07 -0.04 1.46 1.32 2oi0A1 LYS 476 HD2 -0.00 -0.01 -0.01 -0.04 1.69 1.62 2oi0A1 LYS 476 HD3 -0.00 0.03 0.04 -0.04 1.68 1.71 2oi0A1 LYS 476 HE2 -0.00 0.01 -0.02 -0.04 2.99 2.94 2oi0A1 LYS 476 HE3 -0.01 0.01 -0.03 -0.04 2.99 2.93 2oi0A1 VAL 477 H 0.00 0.10 0.17 -0.55 8.24 7.96 2oi0A1 VAL 477 HA 0.00 0.16 0.69 -0.75 4.13 4.23 2oi0A1 VAL 477 HB 0.00 -0.04 0.13 -0.04 2.12 2.17 2oi0A1 VAL 477 HG13 0.00 0.00 -0.06 -0.04 0.97 0.87 2oi0A1 VAL 477 HG23 0.00 0.01 0.06 -0.04 0.95 0.98 2oi0A1 ILE 478 H 0.00 0.10 0.00 -0.55 8.25 7.80 2oi0A1 ILE 478 HA 0.00 0.20 0.73 -0.75 4.18 4.36 2oi0A1 ILE 478 HB 0.00 -0.06 0.04 -0.04 1.89 1.83 2oi0A1 ILE 478 HG12 0.00 0.10 -0.03 -0.04 1.49 1.52 2oi0A1 ILE 478 HG13 0.00 -0.12 -0.64 -0.04 1.21 0.41 2oi0A1 ILE 478 HG23 0.00 0.01 -0.19 -0.04 0.93 0.71 2oi0A1 ILE 478 HD13 0.00 -0.01 -0.06 -0.04 0.88 0.78 2oi0A1 GLU 479 H 0.00 0.21 0.08 -0.55 8.60 8.35 2oi0A1 GLU 479 HA -0.00 0.06 0.72 -0.75 4.29 4.31 2oi0A1 GLU 479 HB2 0.00 -0.05 0.02 -0.04 2.09 2.02 2oi0A1 GLU 479 HB3 0.00 0.08 0.15 -0.04 1.99 2.19 2oi0A1 GLU 479 HG2 0.00 0.01 0.26 -0.04 2.34 2.58 2oi0A1 GLU 479 HG3 -0.00 0.07 0.05 -0.04 2.34 2.42 2oi0A1 GLY 480 H -0.00 0.17 0.18 -0.55 8.43 8.23 2oi0A1 GLY 480 HA2 -0.01 0.06 0.30 -0.51 4.01 3.86 2oi0A1 GLY 480 HA3 -0.00 0.14 0.47 -0.51 4.01 4.11 2oi0A1 ARG 481 H -0.00 0.07 -0.26 -0.55 8.46 7.72 2oi0A1 ARG 481 HA -0.00 0.29 0.74 -0.75 4.34 4.61 2oi0A1 ARG 481 HB2 -0.00 0.01 -0.09 -0.04 1.90 1.78 2oi0A1 ARG 481 HB3 -0.00 -0.00 0.02 -0.04 1.80 1.78 2oi0A1 ARG 481 HG2 0.00 0.04 -0.02 -0.04 1.67 1.65 2oi0A1 ARG 481 HG3 0.00 0.04 -0.24 -0.04 1.67 1.43 2oi0A1 ARG 481 HD2 0.00 -0.00 -0.05 -0.04 3.22 3.13 2oi0A1 ARG 481 HD3 0.00 -0.03 -0.07 -0.04 3.22 3.08