============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 21 0.840 45.480 32.528 20.495 -99.200 -91.000 HIS 23 0.900 36.637 32.966 25.037 -99.200 -91.000 TYR 27 0.840 38.132 38.512 11.812 -99.200 -91.000 TYR 32 0.840 32.650 31.808 0.419 -99.200 -91.000 PHE 34 1.000 29.998 33.957 -7.240 -99.200 -91.000 PHE 46 1.000 25.866 32.664 -4.989 -99.200 -91.000 TYR 85 0.840 25.292 36.426 -1.055 -99.200 -91.000 PHE 87 1.000 23.549 35.624 -8.961 -99.200 -91.000 TYR 90 0.840 25.202 44.151 -12.765 -99.200 -91.000 TYR 106 0.840 32.579 36.625 13.700 -99.200 -91.000 TYR 137 0.840 36.846 28.400 23.051 -99.200 -91.000 TYR 140 0.840 40.762 29.105 35.907 -99.200 -91.000 PHE 143 1.000 46.472 39.247 43.056 -99.200 -91.000 TYR 144 0.840 48.762 36.127 46.614 -99.200 -91.000 TYR 162 0.840 25.472 44.033 28.712 -99.200 -91.000 TYR 167 0.840 32.516 29.511 33.058 -99.200 -91.000 TYR 204 0.840 21.951 29.882 36.356 -99.200 -91.000 TYR 216 0.840 33.980 31.395 30.122 -99.200 -91.000 PHE 217 1.000 25.785 26.090 25.038 -99.200 -91.000 PHE 231 1.000 21.609 46.566 39.948 -99.200 -91.000 TYR 237 0.840 27.151 42.834 38.212 -99.200 -91.000 PHE 241 1.000 29.226 35.055 44.805 -99.200 -91.000 TYR 250 0.840 28.684 29.929 44.127 -99.200 -91.000 HIS 257 0.900 17.927 46.582 28.647 -99.200 -91.000 TYR 273 0.840 36.507 44.005 45.142 -99.200 -91.000 TYR 275 0.840 39.023 39.185 54.264 -99.200 -91.000 TRP 281 1.040 39.401 43.211 50.476 -99.200 -91.000 TRP6 281 1.020 37.505 41.799 50.673 -99.200 -91.000 TRP 286 1.040 38.120 38.148 32.018 -99.200 -91.000 TRP6 286 1.020 40.199 37.015 32.021 -99.200 -91.000 PHE 292 1.000 30.585 45.338 17.686 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2vr3A1 THR 230 HA 0.03 -0.08 0.19 -0.75 4.39 3.78 2vr3A1 ASP 231 H 0.03 0.12 0.11 -0.55 8.40 8.12 2vr3A1 ASP 231 HA 0.07 0.12 0.91 -0.75 4.63 4.98 2vr3A1 ASP 231 HB2 0.03 0.05 0.07 -0.04 2.71 2.82 2vr3A1 ASP 231 HB3 0.03 0.02 0.18 -0.04 2.70 2.89 2vr3A1 ILE 232 H 0.13 0.84 0.30 -0.55 8.25 8.97 2vr3A1 ILE 232 HA 0.04 0.22 0.93 -0.75 4.18 4.61 2vr3A1 ILE 232 HB 0.01 -0.03 0.08 -0.04 1.89 1.90 2vr3A1 ILE 232 HG12 0.21 0.30 0.02 -0.04 1.49 1.99 2vr3A1 ILE 232 HG13 0.04 -0.06 -0.17 -0.04 1.21 0.99 2vr3A1 ILE 232 HG23 0.04 0.04 -0.22 -0.04 0.93 0.75 2vr3A1 ILE 232 HD13 -0.05 -0.00 -0.06 -0.04 0.88 0.73 2vr3A1 THR 233 H 0.09 0.10 -0.03 -0.55 8.28 7.90 2vr3A1 THR 233 HA 0.05 0.07 0.43 -0.75 4.39 4.19 2vr3A1 THR 233 HB 0.04 0.01 0.11 -0.04 4.32 4.44 2vr3A1 THR 233 HG23 0.05 0.04 0.03 -0.04 1.22 1.29 2vr3A1 ASN 234 H 0.02 0.10 -0.23 -0.55 8.53 7.88 2vr3A1 ASN 234 HA 0.00 0.07 0.31 -0.75 4.76 4.39 2vr3A1 ASN 234 HB2 0.01 0.04 0.02 -0.04 2.88 2.91 2vr3A1 ASN 234 HB3 0.01 0.03 0.13 -0.04 2.79 2.92 2vr3A1 ASN 234 HD21 0.01 -0.01 0.01 -0.04 7.03 7.00 2vr3A1 ASN 234 HD22 0.01 0.05 0.01 -0.04 7.74 7.77 2vr3A1 GLN 235 H -0.00 0.57 -0.44 -0.55 8.47 8.05 2vr3A1 GLN 235 HA -0.01 0.13 0.75 -0.75 4.36 4.47 2vr3A1 GLN 235 HB2 -0.02 0.07 0.01 -0.04 2.15 2.17 2vr3A1 GLN 235 HB3 -0.01 -0.07 0.16 -0.04 2.02 2.06 2vr3A1 GLN 235 HG2 -0.00 -0.01 -0.05 -0.04 2.40 2.30 2vr3A1 GLN 235 HG3 0.00 -0.08 -0.01 -0.04 2.39 2.26 2vr3A1 GLN 235 HE21 0.01 0.02 -0.06 -0.04 6.97 6.89 2vr3A1 GLN 235 HE22 0.01 0.02 -0.01 -0.04 7.69 7.68 2vr3A1 LEU 236 H -0.04 0.36 -0.15 -0.55 8.37 7.99 2vr3A1 LEU 236 HA -0.05 0.15 0.74 -0.75 4.35 4.44 2vr3A1 LEU 236 HB2 -0.11 0.02 0.11 -0.04 1.64 1.63 2vr3A1 LEU 236 HB3 -0.14 -0.01 0.03 -0.04 1.64 1.49 2vr3A1 LEU 236 HG -0.16 0.11 0.09 -0.04 1.64 1.65 2vr3A1 LEU 236 HD13 -0.91 -0.05 -0.09 -0.04 0.93 -0.15 2vr3A1 LEU 236 HD23 -0.22 -0.00 -0.08 -0.04 0.89 0.55 2vr3A1 THR 237 H 0.03 0.48 0.25 -0.55 8.28 8.49 2vr3A1 THR 237 HA 0.01 0.18 0.90 -0.75 4.39 4.73 2vr3A1 THR 237 HB 0.01 -0.07 0.08 -0.04 4.32 4.30 2vr3A1 THR 237 HG23 -0.00 0.05 -0.21 -0.04 1.22 1.02 2vr3A1 ASN 238 H 0.02 0.15 0.17 -0.55 8.53 8.32 2vr3A1 ASN 238 HA 0.02 0.04 0.34 -0.75 4.76 4.41 2vr3A1 ASN 238 HB2 0.03 0.09 -0.13 -0.04 2.88 2.84 2vr3A1 ASN 238 HB3 0.01 0.02 0.17 -0.04 2.79 2.96 2vr3A1 ASN 238 HD21 0.01 0.01 0.01 -0.04 7.03 7.02 2vr3A1 ASN 238 HD22 0.01 0.01 0.10 -0.04 7.74 7.82 2vr3A1 VAL 239 H 0.04 0.03 -0.04 -0.55 8.24 7.72 2vr3A1 VAL 239 HA 0.13 0.42 0.80 -0.75 4.13 4.72 2vr3A1 VAL 239 HB 0.05 -0.08 0.08 -0.04 2.12 2.13 2vr3A1 VAL 239 HG13 0.11 0.02 -0.06 -0.04 0.97 0.99 2vr3A1 VAL 239 HG23 0.05 -0.02 -0.24 -0.04 0.95 0.70 2vr3A1 THR 240 H 0.11 0.63 0.44 -0.55 8.28 8.91 2vr3A1 THR 240 HA 0.05 0.13 0.72 -0.75 4.39 4.54 2vr3A1 THR 240 HB 0.02 -0.00 -0.00 -0.04 4.32 4.29 2vr3A1 THR 240 HG23 0.02 0.02 -0.27 -0.04 1.22 0.95 2vr3A1 VAL 241 H 0.03 0.31 0.15 -0.55 8.24 8.18 2vr3A1 VAL 241 HA 0.02 0.34 0.98 -0.75 4.13 4.71 2vr3A1 VAL 241 HB 0.06 0.01 -0.33 -0.04 2.12 1.82 2vr3A1 VAL 241 HG13 0.05 0.03 -0.24 -0.04 0.97 0.77 2vr3A1 VAL 241 HG23 0.21 0.00 -0.34 -0.04 0.95 0.79 2vr3A1 GLY 242 H -0.20 0.60 0.32 -0.55 8.43 8.61 2vr3A1 GLY 242 HA2 -0.05 0.09 0.69 -0.51 4.01 4.22 2vr3A1 GLY 242 HA3 -0.07 0.03 0.20 -0.51 4.01 3.66 2vr3A1 ILE 243 H -0.06 0.20 0.11 -0.55 8.25 7.95 2vr3A1 ILE 243 HA -0.10 0.35 1.21 -0.75 4.18 4.88 2vr3A1 ILE 243 HB -0.05 -0.01 0.04 -0.04 1.89 1.83 2vr3A1 ILE 243 HG12 -0.05 0.07 -0.20 -0.04 1.49 1.27 2vr3A1 ILE 243 HG13 -0.05 -0.14 -0.42 -0.04 1.21 0.57 2vr3A1 ILE 243 HG23 -0.06 -0.00 -0.37 -0.04 0.93 0.46 2vr3A1 ILE 243 HD13 -0.02 -0.02 -0.32 -0.04 0.88 0.48 2vr3A1 ASP 244 H -0.08 0.64 0.24 -0.55 8.40 8.65 2vr3A1 ASP 244 HA -0.07 0.13 0.83 -0.75 4.63 4.76 2vr3A1 ASP 244 HB2 -0.06 -0.01 0.01 -0.04 2.71 2.61 2vr3A1 ASP 244 HB3 -0.08 -0.05 0.20 -0.04 2.70 2.73 2vr3A1 SER 245 H -0.08 0.36 0.24 -0.55 8.46 8.43 2vr3A1 SER 245 HA -0.14 0.06 0.31 -0.75 4.49 3.96 2vr3A1 SER 245 HB2 -0.13 0.03 0.21 -0.04 3.95 4.02 2vr3A1 SER 245 HB3 -0.11 -0.05 -0.14 -0.04 3.93 3.59 2vr3A1 GLY 246 H -0.10 0.13 0.13 -0.55 8.43 8.04 2vr3A1 GLY 246 HA2 -0.06 0.10 0.70 -0.51 4.01 4.25 2vr3A1 GLY 246 HA3 -0.06 0.04 0.40 -0.51 4.01 3.88 2vr3A1 THR 247 H -0.06 0.08 0.19 -0.55 8.28 7.95 2vr3A1 THR 247 HA -0.07 0.17 0.44 -0.75 4.39 4.18 2vr3A1 THR 248 H -0.11 0.04 0.02 -0.55 8.28 7.68 2vr3A1 THR 248 HA -0.22 0.26 0.97 -0.75 4.39 4.66 2vr3A1 THR 248 HB -0.28 -0.05 0.05 -0.04 4.32 4.01 2vr3A1 THR 248 HG23 -0.69 0.01 -0.16 -0.04 1.22 0.34 2vr3A1 VAL 249 H -0.31 0.73 0.32 -0.55 8.24 8.43 2vr3A1 VAL 249 HA -0.19 0.15 0.89 -0.75 4.13 4.23 2vr3A1 VAL 249 HB -0.17 0.01 0.05 -0.04 2.12 1.97 2vr3A1 VAL 249 HG13 -0.05 -0.02 -0.33 -0.04 0.97 0.53 2vr3A1 VAL 249 HG23 -0.11 0.02 -0.24 -0.04 0.95 0.58 2vr3A1 TYR 250 H 0.03 0.18 0.04 -0.55 8.29 7.99 2vr3A1 TYR 250 HA -0.07 0.47 1.02 -0.75 4.56 5.22 2vr3A1 TYR 250 HB2 0.01 -0.02 0.19 -0.04 3.06 3.21 2vr3A1 TYR 250 HB3 0.03 -0.00 0.04 -0.04 2.98 3.01 2vr3A1 TYR 250 HD2 -0.01 0.13 -0.02 -0.04 7.15 7.21 2vr3A1 TYR 250 HE2 -0.01 -0.02 -0.06 -0.04 6.85 6.71 2vr3A1 PRO 251 HA 0.17 0.20 0.39 -0.51 4.44 4.69 2vr3A1 PRO 251 HB2 0.23 0.10 -0.03 -0.04 2.28 2.54 2vr3A1 PRO 251 HB3 0.21 0.03 0.10 -0.04 2.02 2.33 2vr3A1 PRO 251 HG2 -0.21 0.10 -0.10 -0.04 2.03 1.78 2vr3A1 PRO 251 HG3 -0.04 -0.02 -0.08 -0.04 2.03 1.85 2vr3A1 PRO 251 HD2 -0.21 0.20 -0.03 -0.04 3.68 3.60 2vr3A1 PRO 251 HD3 -0.19 0.27 -0.17 -0.04 3.65 3.52 2vr3A1 HIS 252 H 0.15 0.17 -0.29 -0.55 8.41 7.90 2vr3A1 HIS 252 HA 0.11 0.21 0.95 -0.75 4.63 5.15 2vr3A1 HIS 252 HB2 0.19 0.04 0.06 -0.04 3.26 3.52 2vr3A1 HIS 252 HB3 0.13 0.03 0.23 -0.04 3.20 3.55 2vr3A1 HIS 252 HD2 0.13 0.10 -0.37 -0.04 6.97 6.79 2vr3A1 HIS 252 HE1 -0.17 0.22 -0.02 -0.04 7.75 7.73 2vr3A1 GLN 253 H 0.20 0.38 -0.23 -0.55 8.47 8.27 2vr3A1 GLN 253 HA 0.05 0.19 0.54 -0.75 4.36 4.40 2vr3A1 GLN 253 HB2 0.05 -0.04 0.06 -0.04 2.15 2.18 2vr3A1 GLN 253 HB3 -0.02 -0.02 0.22 -0.04 2.02 2.16 2vr3A1 GLN 253 HG2 0.03 0.07 -0.22 -0.04 2.40 2.24 2vr3A1 GLN 253 HG3 -0.14 -0.06 0.00 -0.04 2.39 2.15 2vr3A1 GLN 253 HE21 -0.11 -0.05 0.07 -0.04 6.97 6.83 2vr3A1 GLN 253 HE22 -0.03 0.03 0.07 -0.04 7.69 7.73 2vr3A1 ALA 254 H 0.13 0.21 -0.09 -0.55 8.40 8.11 2vr3A1 ALA 254 HA 0.12 0.06 0.27 -0.75 4.34 4.04 2vr3A1 ALA 254 HB3 0.06 0.05 0.02 -0.04 1.41 1.51 2vr3A1 GLY 255 H 0.17 0.20 -0.16 -0.55 8.43 8.10 2vr3A1 GLY 255 HA2 0.12 0.10 0.64 -0.51 4.01 4.36 2vr3A1 GLY 255 HA3 0.12 -0.16 0.22 -0.51 4.01 3.67 2vr3A1 TYR 256 H -0.11 0.21 0.24 -0.55 8.29 8.08 2vr3A1 TYR 256 HA 0.01 0.04 0.63 -0.75 4.56 4.49 2vr3A1 TYR 256 HB2 -0.36 0.15 0.16 -0.04 3.06 2.97 2vr3A1 TYR 256 HB3 0.17 0.03 -0.21 -0.04 2.98 2.92 2vr3A1 TYR 256 HD2 -0.06 0.18 -0.04 -0.04 7.15 7.18 2vr3A1 TYR 256 HE2 0.00 -0.00 -0.08 -0.04 6.85 6.73 2vr3A1 VAL 257 H -0.05 0.79 0.37 -0.55 8.24 8.79 2vr3A1 VAL 257 HA -0.23 0.26 0.71 -0.75 4.13 4.12 2vr3A1 VAL 257 HB -0.10 0.08 -0.00 -0.04 2.12 2.06 2vr3A1 VAL 257 HG13 -0.07 0.00 -0.25 -0.04 0.97 0.61 2vr3A1 VAL 257 HG23 -0.05 -0.02 -0.33 -0.04 0.95 0.51 2vr3A1 LYS 258 H -0.11 0.66 0.29 -0.55 8.42 8.70 2vr3A1 LYS 258 HA 0.02 0.27 1.03 -0.75 4.32 4.88 2vr3A1 LYS 258 HB2 -0.05 -0.06 0.16 -0.04 1.87 1.87 2vr3A1 LYS 258 HB3 -0.01 0.02 -0.06 -0.04 1.79 1.70 2vr3A1 LYS 258 HG2 0.18 0.05 -0.11 -0.04 1.46 1.54 2vr3A1 LYS 258 HG3 -0.01 -0.02 -0.22 -0.04 1.46 1.17 2vr3A1 LEU 259 H -0.01 0.83 0.26 -0.55 8.37 8.91 2vr3A1 LEU 259 HA -0.18 0.19 0.94 -0.75 4.35 4.54 2vr3A1 LEU 259 HB2 0.10 -0.06 0.09 -0.04 1.64 1.73 2vr3A1 LEU 259 HB3 -0.13 0.00 -0.03 -0.04 1.64 1.43 2vr3A1 LEU 259 HG 0.03 0.12 -0.10 -0.04 1.64 1.64 2vr3A1 LEU 259 HD13 0.15 -0.00 -0.11 -0.04 0.93 0.93 2vr3A1 LEU 259 HD23 -0.00 -0.01 -0.21 -0.04 0.89 0.63 2vr3A1 ASN 260 H -0.38 0.71 0.33 -0.55 8.53 8.64 2vr3A1 ASN 260 HA -0.19 0.29 0.97 -0.75 4.76 5.08 2vr3A1 ASN 260 HB2 -0.15 -0.05 0.03 -0.04 2.88 2.67 2vr3A1 ASN 260 HB3 -0.10 0.02 -0.03 -0.04 2.79 2.65 2vr3A1 ASN 260 HD21 -0.06 -0.01 -0.12 -0.04 7.03 6.79 2vr3A1 ASN 260 HD22 -0.08 -0.03 -0.18 -0.04 7.74 7.41 2vr3A1 TYR 261 H 0.04 0.62 0.43 -0.55 8.29 8.82 2vr3A1 TYR 261 HA 0.07 0.30 0.92 -0.75 4.56 5.10 2vr3A1 TYR 261 HB2 0.18 -0.06 -0.05 -0.04 3.06 3.10 2vr3A1 TYR 261 HB3 0.21 0.02 0.04 -0.04 2.98 3.21 2vr3A1 TYR 261 HD2 0.11 0.01 -0.16 -0.04 7.15 7.07 2vr3A1 TYR 261 HE2 0.08 -0.03 -0.19 -0.04 6.85 6.67 2vr3A1 GLY 262 H 0.20 0.57 0.40 -0.55 8.43 9.05 2vr3A1 GLY 262 HA2 -0.16 0.26 0.95 -0.51 4.01 4.55 2vr3A1 GLY 262 HA3 -0.02 -0.03 0.41 -0.51 4.01 3.86 2vr3A1 PHE 263 H -0.55 0.59 0.40 -0.55 8.34 8.23 2vr3A1 PHE 263 HA -0.02 0.34 0.55 -0.75 4.62 4.73 2vr3A1 PHE 263 HB2 -0.10 0.09 -0.05 -0.04 3.15 3.05 2vr3A1 PHE 263 HB3 -0.06 0.02 -0.11 -0.04 3.06 2.87 2vr3A1 PHE 263 HD2 -0.09 0.02 -0.53 -0.04 7.28 6.64 2vr3A1 PHE 263 HE2 -0.04 -0.01 -0.29 -0.04 7.38 6.99 2vr3A1 PHE 263 HZ -0.17 -0.02 -0.26 -0.04 7.32 6.83 2vr3A1 SER 264 H 0.10 0.82 0.31 -0.55 8.46 9.14 2vr3A1 SER 264 HA 0.03 0.19 1.02 -0.75 4.49 4.98 2vr3A1 SER 264 HB2 0.03 -0.11 0.04 -0.04 3.95 3.88 2vr3A1 SER 264 HB3 0.02 0.04 -0.00 -0.04 3.93 3.94 2vr3A1 VAL 265 H 0.04 0.67 0.13 -0.55 8.24 8.54 2vr3A1 VAL 265 HA -0.02 0.21 1.01 -0.75 4.13 4.58 2vr3A1 VAL 265 HB -0.08 -0.05 -0.08 -0.04 2.12 1.87 2vr3A1 VAL 265 HG13 -0.46 0.04 -0.16 -0.04 0.97 0.35 2vr3A1 VAL 265 HG23 0.17 -0.01 -0.28 -0.04 0.95 0.80 2vr3A1 PRO 266 HA -0.04 0.00 0.50 -0.51 4.44 4.39 2vr3A1 PRO 266 HB2 -0.05 -0.13 0.01 -0.04 2.28 2.06 2vr3A1 PRO 266 HB3 -0.03 0.10 0.14 -0.04 2.02 2.18 2vr3A1 PRO 266 HG2 -0.08 -0.03 0.04 -0.04 2.03 1.90 2vr3A1 PRO 266 HG3 -0.04 0.16 -0.03 -0.04 2.03 2.07 2vr3A1 PRO 266 HD2 -0.12 0.05 0.17 -0.04 3.68 3.73 2vr3A1 PRO 266 HD3 -0.05 0.32 0.18 -0.04 3.65 4.06 2vr3A1 ASN 267 H -0.03 0.11 0.26 -0.55 8.53 8.33 2vr3A1 ASN 267 HA -0.04 0.12 0.53 -0.75 4.76 4.61 2vr3A1 ASN 267 HB2 -0.03 -0.06 0.14 -0.04 2.88 2.89 2vr3A1 ASN 267 HB3 -0.03 0.11 0.07 -0.04 2.79 2.90 2vr3A1 ASN 267 HD21 -0.02 -0.04 0.10 -0.04 7.03 7.04 2vr3A1 ASN 267 HD22 -0.02 0.05 0.07 -0.04 7.74 7.80 2vr3A1 SER 268 H -0.04 -0.09 -0.51 -0.55 8.46 7.28 2vr3A1 SER 268 HA -0.03 0.13 0.34 -0.75 4.49 4.18 2vr3A1 SER 268 HB2 -0.02 0.01 0.05 -0.04 3.95 3.95 2vr3A1 SER 268 HB3 -0.02 -0.05 0.03 -0.04 3.93 3.85 2vr3A1 ALA 269 H -0.08 0.59 -0.42 -0.55 8.40 7.95 2vr3A1 ALA 269 HA -0.07 -0.10 0.49 -0.75 4.34 3.90 2vr3A1 ALA 269 HB3 -0.28 -0.02 -0.03 -0.04 1.41 1.04 2vr3A1 VAL 270 H -0.01 0.14 0.19 -0.55 8.24 8.02 2vr3A1 VAL 270 HA 0.01 0.17 0.57 -0.75 4.13 4.12 2vr3A1 LYS 271 H 0.05 0.05 0.06 -0.55 8.42 8.03 2vr3A1 LYS 271 HA 0.14 0.18 0.12 -0.75 4.32 4.01 2vr3A1 GLY 272 H 0.13 0.76 0.26 -0.55 8.43 9.04 2vr3A1 GLY 272 HA2 0.07 -0.05 0.38 -0.51 4.01 3.90 2vr3A1 GLY 272 HA3 0.06 0.06 0.67 -0.51 4.01 4.30 2vr3A1 ASP 273 H 0.18 0.27 -0.08 -0.55 8.40 8.22 2vr3A1 ASP 273 HA 0.12 0.33 0.73 -0.75 4.63 5.05 2vr3A1 ASP 273 HB2 0.17 0.05 0.18 -0.04 2.71 3.08 2vr3A1 ASP 273 HB3 0.20 -0.08 0.09 -0.04 2.70 2.87 2vr3A1 THR 274 H 0.15 0.63 0.51 -0.55 8.28 9.01 2vr3A1 THR 274 HA 0.10 0.38 1.29 -0.75 4.39 5.41 2vr3A1 THR 274 HB -0.04 -0.11 0.14 -0.04 4.32 4.27 2vr3A1 THR 274 HG23 0.01 0.05 -0.19 -0.04 1.22 1.04 2vr3A1 PHE 275 H -0.14 0.47 0.32 -0.55 8.34 8.44 2vr3A1 PHE 275 HA -0.02 -0.15 0.54 -0.75 4.62 4.24 2vr3A1 PHE 275 HB2 -0.09 -0.04 0.10 -0.04 3.15 3.08 2vr3A1 PHE 275 HB3 0.07 0.15 -0.35 -0.04 3.06 2.89 2vr3A1 PHE 275 HD2 -0.26 0.01 -0.31 -0.04 7.28 6.68 2vr3A1 PHE 275 HE2 -0.40 0.01 -0.24 -0.04 7.38 6.71 2vr3A1 PHE 275 HZ -0.35 0.02 -0.22 -0.04 7.32 6.74 2vr3A1 LYS 276 H 0.10 0.09 0.19 -0.55 8.42 8.25 2vr3A1 LYS 276 HA -0.20 0.41 1.39 -0.75 4.32 5.17 2vr3A1 LYS 276 HB2 -0.06 -0.01 -0.08 -0.04 1.87 1.68 2vr3A1 LYS 276 HB3 -0.01 -0.09 0.12 -0.04 1.79 1.77 2vr3A1 LYS 276 HG2 -0.02 -0.06 -0.39 -0.04 1.46 0.95 2vr3A1 LYS 276 HG3 -0.06 0.17 -0.23 -0.04 1.46 1.30 2vr3A1 LYS 276 HD2 -0.04 -0.01 -0.12 -0.04 1.69 1.48 2vr3A1 LYS 276 HD3 -0.02 -0.03 -0.08 -0.04 1.68 1.51 2vr3A1 LYS 276 HE2 -0.01 0.01 -0.12 -0.04 2.99 2.83 2vr3A1 LYS 276 HE3 -0.03 -0.01 -0.12 -0.04 2.99 2.78 2vr3A1 ILE 277 H -0.15 0.66 0.39 -0.55 8.25 8.61 2vr3A1 ILE 277 HA -0.05 0.23 1.07 -0.75 4.18 4.67 2vr3A1 ILE 277 HB -0.13 -0.05 0.13 -0.04 1.89 1.80 2vr3A1 ILE 277 HG12 -0.40 0.04 -0.10 -0.04 1.49 1.00 2vr3A1 ILE 277 HG13 -0.04 -0.10 -0.18 -0.04 1.21 0.85 2vr3A1 ILE 277 HG23 -0.21 0.04 -0.17 -0.04 0.93 0.55 2vr3A1 ILE 277 HD13 -0.13 0.00 -0.14 -0.04 0.88 0.57 2vr3A1 THR 278 H 0.01 0.59 0.34 -0.55 8.28 8.67 2vr3A1 THR 278 HA 0.00 0.03 0.72 -0.75 4.39 4.40 2vr3A1 THR 278 HB 0.05 -0.04 0.15 -0.04 4.32 4.43 2vr3A1 THR 278 HG23 0.03 0.01 -0.24 -0.04 1.22 0.98 2vr3A1 VAL 279 H 0.02 0.17 0.13 -0.55 8.24 8.01 2vr3A1 VAL 279 HA 0.07 0.16 0.89 -0.75 4.13 4.50 2vr3A1 VAL 279 HB 0.03 0.17 0.02 -0.04 2.12 2.30 2vr3A1 VAL 279 HG13 0.06 0.02 -0.14 -0.04 0.97 0.87 2vr3A1 VAL 279 HG23 0.05 -0.03 -0.15 -0.04 0.95 0.77 2vr3A1 PRO 280 HA 0.02 0.08 0.45 -0.51 4.44 4.49 2vr3A1 PRO 280 HB2 0.02 -0.17 0.12 -0.04 2.28 2.20 2vr3A1 PRO 280 HB3 0.02 0.13 0.22 -0.04 2.02 2.35 2vr3A1 PRO 280 HG2 0.03 -0.09 0.04 -0.04 2.03 1.96 2vr3A1 PRO 280 HG3 0.03 -0.05 0.15 -0.04 2.03 2.11 2vr3A1 PRO 280 HD2 0.05 0.03 0.16 -0.04 3.68 3.88 2vr3A1 PRO 280 HD3 0.05 0.33 0.34 -0.04 3.65 4.33 2vr3A1 LYS 281 H 0.01 0.12 0.21 -0.55 8.42 8.20 2vr3A1 LYS 281 HA 0.01 0.20 0.48 -0.75 4.32 4.26 2vr3A1 GLU 282 H 0.02 0.01 -0.27 -0.55 8.60 7.81 2vr3A1 GLU 282 HA 0.02 0.10 0.38 -0.75 4.29 4.03 2vr3A1 GLU 282 HB2 0.01 -0.02 -0.01 -0.04 2.09 2.03 2vr3A1 GLU 282 HB3 0.01 -0.00 0.02 -0.04 1.99 1.98 2vr3A1 GLU 282 HG2 0.00 0.01 -0.00 -0.04 2.34 2.31 2vr3A1 GLU 282 HG3 0.01 0.08 -0.05 -0.04 2.34 2.33 2vr3A1 LEU 283 H 0.04 0.36 -0.45 -0.55 8.37 7.77 2vr3A1 LEU 283 HA 0.07 0.24 1.06 -0.75 4.35 4.97 2vr3A1 LEU 283 HB2 0.05 0.06 -0.06 -0.04 1.64 1.64 2vr3A1 LEU 283 HB3 0.06 0.04 0.02 -0.04 1.64 1.72 2vr3A1 LEU 283 HG 0.02 -0.03 -0.28 -0.04 1.64 1.31 2vr3A1 LEU 283 HD13 0.02 0.03 -0.55 -0.04 0.93 0.39 2vr3A1 LEU 283 HD23 0.02 -0.00 -0.15 -0.04 0.89 0.72 2vr3A1 ASN 284 H 0.15 0.54 0.31 -0.55 8.53 8.99 2vr3A1 ASN 284 HA 0.08 0.25 0.42 -0.75 4.76 4.75 2vr3A1 ASN 284 HB2 0.08 -0.07 0.22 -0.04 2.88 3.07 2vr3A1 ASN 284 HB3 0.07 0.15 0.10 -0.04 2.79 3.07 2vr3A1 ASN 284 HD21 0.10 0.08 -0.01 -0.04 7.03 7.16 2vr3A1 ASN 284 HD22 0.08 0.03 -0.01 -0.04 7.74 7.79 2vr3A1 LEU 285 H 0.11 0.19 0.10 -0.55 8.37 8.22 2vr3A1 LEU 285 HA 0.24 0.26 1.00 -0.75 4.35 5.09 2vr3A1 LEU 285 HB2 0.08 -0.04 -0.01 -0.04 1.64 1.63 2vr3A1 LEU 285 HB3 0.12 0.09 0.14 -0.04 1.64 1.94 2vr3A1 LEU 285 HG 0.08 -0.08 -0.23 -0.04 1.64 1.37 2vr3A1 LEU 285 HD13 0.04 -0.00 -0.10 -0.04 0.93 0.83 2vr3A1 LEU 285 HD23 0.09 0.02 -0.05 -0.04 0.89 0.91 2vr3A1 ASN 286 H 0.15 -0.06 -0.12 -0.55 8.53 7.95 2vr3A1 ASN 286 HA 0.03 0.29 0.89 -0.75 4.76 5.22 2vr3A1 ASN 286 HB2 -0.01 0.27 -0.31 -0.04 2.88 2.78 2vr3A1 ASN 286 HB3 0.02 -0.15 -0.43 -0.04 2.79 2.19 2vr3A1 ASN 286 HD21 0.04 -0.10 -0.02 -0.04 7.03 6.90 2vr3A1 ASN 286 HD22 0.01 0.46 -0.14 -0.04 7.74 8.03 2vr3A1 GLY 287 H 0.02 -0.08 -0.06 -0.55 8.43 7.77 2vr3A1 GLY 287 HA2 -0.06 0.06 0.24 -0.51 4.01 3.74 2vr3A1 GLY 287 HA3 -0.73 0.06 0.43 -0.51 4.01 3.25 2vr3A1 VAL 288 H -0.18 0.14 0.19 -0.55 8.24 7.84 2vr3A1 VAL 288 HA 0.01 0.12 0.68 -0.75 4.13 4.18 2vr3A1 VAL 288 HB 0.04 -0.08 0.02 -0.04 2.12 2.06 2vr3A1 VAL 288 HG13 -0.00 0.06 0.12 -0.04 0.97 1.10 2vr3A1 VAL 288 HG23 0.03 -0.00 -0.01 -0.04 0.95 0.92 2vr3A1 THR 289 H -0.07 0.44 -0.46 -0.55 8.28 7.64 2vr3A1 THR 289 HA 0.02 0.10 0.55 -0.75 4.39 4.32 2vr3A1 THR 289 HB -0.04 0.14 0.12 -0.04 4.32 4.51 2vr3A1 THR 289 HG23 -0.09 -0.04 0.13 -0.04 1.22 1.18 2vr3A1 SER 290 H -0.01 0.63 0.03 -0.55 8.46 8.57 2vr3A1 SER 290 HA 0.01 0.02 0.37 -0.75 4.49 4.14 2vr3A1 SER 290 HB2 -0.00 0.00 0.00 -0.04 3.95 3.91 2vr3A1 SER 290 HB3 -0.00 0.05 -0.20 -0.04 3.93 3.74 2vr3A1 THR 291 H -0.02 0.15 -0.08 -0.55 8.28 7.78 2vr3A1 THR 291 HA 0.00 0.16 0.65 -0.75 4.39 4.45 2vr3A1 THR 291 HB -0.01 0.02 0.14 -0.04 4.32 4.42 2vr3A1 THR 291 HG23 -0.01 0.01 -0.27 -0.04 1.22 0.91 2vr3A1 ALA 292 H 0.00 0.19 0.13 -0.55 8.40 8.18 2vr3A1 ALA 292 HA -0.00 0.16 0.68 -0.75 4.34 4.43 2vr3A1 ALA 292 HB3 0.05 0.02 -0.05 -0.04 1.41 1.38 2vr3A1 LYS 293 H 0.00 0.25 0.18 -0.55 8.42 8.30 2vr3A1 LYS 293 HA -0.03 0.09 0.75 -0.75 4.32 4.38 2vr3A1 VAL 294 H -0.06 0.12 0.01 -0.55 8.24 7.76 2vr3A1 VAL 294 HA 0.04 0.21 0.82 -0.75 4.13 4.45 2vr3A1 VAL 294 HB 0.04 0.07 -0.03 -0.04 2.12 2.16 2vr3A1 VAL 294 HG13 -0.08 -0.01 -0.21 -0.04 0.97 0.63 2vr3A1 VAL 294 HG23 -0.33 0.04 -0.28 -0.04 0.95 0.34 2vr3A1 PRO 295 HA 0.07 0.12 0.44 -0.51 4.44 4.55 2vr3A1 PRO 295 HB2 0.12 -0.04 -0.22 -0.04 2.28 2.10 2vr3A1 PRO 295 HB3 0.07 0.05 -0.09 -0.04 2.02 2.02 2vr3A1 PRO 295 HG2 0.11 0.15 -0.00 -0.04 2.03 2.24 2vr3A1 PRO 295 HG3 0.08 0.05 -0.20 -0.04 2.03 1.92 2vr3A1 PRO 295 HD2 0.17 0.05 0.11 -0.04 3.68 3.97 2vr3A1 PRO 295 HD3 0.09 0.16 0.24 -0.04 3.65 4.10 2vr3A1 PRO 296 HA 0.20 0.08 0.74 -0.51 4.44 4.94 2vr3A1 PRO 296 HB2 0.04 0.02 -0.01 -0.04 2.28 2.29 2vr3A1 PRO 296 HB3 0.05 -0.02 0.20 -0.04 2.02 2.21 2vr3A1 PRO 296 HG2 0.03 -0.00 0.11 -0.04 2.03 2.13 2vr3A1 PRO 296 HG3 0.03 0.02 0.11 -0.04 2.03 2.15 2vr3A1 PRO 296 HD2 0.05 0.04 0.28 -0.04 3.68 4.01 2vr3A1 PRO 296 HD3 0.04 0.19 0.24 -0.04 3.65 4.08 2vr3A1 ILE 297 H 0.09 0.40 0.21 -0.55 8.25 8.39 2vr3A1 ILE 297 HA -0.00 0.14 0.54 -0.75 4.18 4.11 2vr3A1 ILE 297 HB -0.03 -0.12 -0.01 -0.04 1.89 1.70 2vr3A1 ILE 297 HG12 -0.09 0.08 -0.22 -0.04 1.49 1.21 2vr3A1 ILE 297 HG13 -0.28 0.02 -0.11 -0.04 1.21 0.80 2vr3A1 ILE 297 HG23 -0.05 -0.01 -0.35 -0.04 0.93 0.47 2vr3A1 ILE 297 HD13 -0.18 0.00 -0.22 -0.04 0.88 0.45 2vr3A1 MET 298 H -0.03 0.62 0.15 -0.55 8.47 8.67 2vr3A1 MET 298 HA -0.05 0.05 0.78 -0.75 4.52 4.55 2vr3A1 MET 298 HB2 -0.02 0.09 0.26 -0.04 2.15 2.44 2vr3A1 MET 298 HB3 -0.02 -0.01 0.02 -0.04 2.03 1.98 2vr3A1 MET 298 HG2 0.01 0.16 -0.10 -0.04 2.63 2.65 2vr3A1 MET 298 HG3 0.00 -0.01 0.03 -0.04 2.56 2.54 2vr3A1 MET 298 HE3 0.01 -0.00 -0.01 -0.04 2.10 2.06 2vr3A1 ALA 299 H -0.12 0.26 0.36 -0.55 8.40 8.36 2vr3A1 ALA 299 HA -0.09 0.41 1.00 -0.75 4.34 4.90 2vr3A1 ALA 299 HB3 -0.38 -0.00 -0.10 -0.04 1.41 0.88 2vr3A1 VAL 303 HA -0.03 -0.08 0.43 -0.75 4.13 3.70 2vr3A1 VAL 303 HB 0.03 -0.05 0.03 -0.04 2.12 2.09 2vr3A1 VAL 303 HG13 0.03 -0.02 -0.20 -0.04 0.97 0.74 2vr3A1 VAL 303 HG23 0.02 0.00 0.02 -0.04 0.95 0.95 2vr3A1 LEU 304 H -0.08 0.56 0.32 -0.55 8.37 8.63 2vr3A1 LEU 304 HA -0.06 -0.01 0.53 -0.75 4.35 4.06 2vr3A1 LEU 304 HB2 -0.27 -0.06 -0.13 -0.04 1.64 1.14 2vr3A1 LEU 304 HB3 -0.03 0.05 -0.12 -0.04 1.64 1.50 2vr3A1 LEU 304 HG 0.08 -0.04 -0.13 -0.04 1.64 1.51 2vr3A1 LEU 304 HD13 -0.24 -0.00 -0.22 -0.04 0.93 0.43 2vr3A1 LEU 304 HD23 0.26 0.00 -0.31 -0.04 0.89 0.79 2vr3A1 ALA 305 H 0.03 0.35 0.15 -0.55 8.40 8.38 2vr3A1 ALA 305 HA 0.04 0.23 0.50 -0.75 4.34 4.36 2vr3A1 ALA 305 HB3 -0.16 -0.01 -0.22 -0.04 1.41 0.98 2vr3A1 ASN 306 H 0.03 0.59 0.26 -0.55 8.53 8.86 2vr3A1 ASN 306 HA 0.06 0.13 0.98 -0.75 4.76 5.18 2vr3A1 ASN 306 HB2 -0.01 0.01 0.12 -0.04 2.88 2.95 2vr3A1 ASN 306 HB3 -0.03 0.06 0.02 -0.04 2.79 2.80 2vr3A1 ASN 306 HD21 0.03 0.02 -0.10 -0.04 7.03 6.94 2vr3A1 ASN 306 HD22 0.03 0.01 -0.07 -0.04 7.74 7.67 2vr3A1 GLY 307 H -0.15 0.22 0.13 -0.55 8.43 8.08 2vr3A1 GLY 307 HA2 -0.72 0.30 0.85 -0.51 4.01 3.92 2vr3A1 GLY 307 HA3 -1.09 0.01 0.15 -0.51 4.01 2.57 2vr3A1 VAL 308 H -0.36 0.66 0.38 -0.55 8.24 8.37 2vr3A1 VAL 308 HA -0.15 0.11 0.46 -0.75 4.13 3.79 2vr3A1 VAL 308 HB -0.09 0.01 0.18 -0.04 2.12 2.17 2vr3A1 VAL 308 HG13 -0.11 0.03 -0.15 -0.04 0.97 0.70 2vr3A1 VAL 308 HG23 -0.11 0.00 -0.18 -0.04 0.95 0.63 2vr3A1 ILE 309 H -0.09 0.19 0.15 -0.55 8.25 7.96 2vr3A1 ILE 309 HA -0.09 0.21 0.80 -0.75 4.18 4.34 2vr3A1 ILE 309 HB -0.04 -0.02 0.16 -0.04 1.89 1.95 2vr3A1 ILE 309 HG12 -0.03 0.06 -0.13 -0.04 1.49 1.35 2vr3A1 ILE 309 HG13 -0.07 -0.12 -0.16 -0.04 1.21 0.83 2vr3A1 ILE 309 HG23 -0.02 0.06 -0.09 -0.04 0.93 0.85 2vr3A1 ILE 309 HD13 0.00 0.02 -0.10 -0.04 0.88 0.76 2vr3A1 ASP 310 H -0.06 0.80 0.28 -0.55 8.40 8.87 2vr3A1 ASP 310 HA -0.05 0.20 0.71 -0.75 4.63 4.73 2vr3A1 ASP 310 HB2 -0.04 -0.03 0.15 -0.04 2.71 2.75 2vr3A1 ASP 310 HB3 -0.07 0.07 0.01 -0.04 2.70 2.67 2vr3A1 SER 311 H -0.02 0.17 0.15 -0.55 8.46 8.21 2vr3A1 SER 311 HA -0.01 0.18 0.28 -0.75 4.49 4.19 2vr3A1 SER 311 HB2 -0.01 0.05 0.13 -0.04 3.95 4.08 2vr3A1 SER 311 HB3 -0.01 0.03 0.11 -0.04 3.93 4.02 2vr3A1 ASP 312 H -0.02 -0.04 -0.34 -0.55 8.40 7.46 2vr3A1 ASP 312 HA -0.00 0.21 0.74 -0.75 4.63 4.82 2vr3A1 ASP 312 HB2 -0.01 -0.12 0.00 -0.04 2.71 2.54 2vr3A1 ASP 312 HB3 -0.01 0.07 0.08 -0.04 2.70 2.81 2vr3A1 GLY 313 H -0.01 0.43 -0.31 -0.55 8.43 7.99 2vr3A1 GLY 313 HA2 -0.00 0.04 0.29 -0.51 4.01 3.83 2vr3A1 GLY 313 HA3 0.01 0.19 0.64 -0.51 4.01 4.33 2vr3A1 ASN 314 H -0.02 -0.13 -0.25 -0.55 8.53 7.59 2vr3A1 ASN 314 HA -0.02 0.19 0.81 -0.75 4.76 4.98 2vr3A1 ASN 314 HB2 -0.03 -0.13 0.02 -0.04 2.88 2.69 2vr3A1 ASN 314 HB3 -0.03 0.31 0.18 -0.04 2.79 3.21 2vr3A1 ASN 314 HD21 -0.00 0.06 -0.04 -0.04 7.03 7.01 2vr3A1 ASN 314 HD22 -0.01 -0.08 -0.04 -0.04 7.74 7.56 2vr3A1 VAL 315 H -0.07 0.60 0.30 -0.55 8.24 8.51 2vr3A1 VAL 315 HA -0.15 0.27 1.03 -0.75 4.13 4.53 2vr3A1 VAL 315 HB -0.09 -0.05 0.12 -0.04 2.12 2.06 2vr3A1 VAL 315 HG13 -0.27 -0.00 -0.22 -0.04 0.97 0.43 2vr3A1 VAL 315 HG23 -0.04 0.02 -0.19 -0.04 0.95 0.69 2vr3A1 ILE 316 H -0.23 0.66 0.35 -0.55 8.25 8.48 2vr3A1 ILE 316 HA -0.27 0.21 1.10 -0.75 4.18 4.47 2vr3A1 ILE 316 HB -0.17 -0.00 0.10 -0.04 1.89 1.78 2vr3A1 ILE 316 HG12 -0.12 -0.02 -0.11 -0.04 1.49 1.21 2vr3A1 ILE 316 HG13 -0.09 -0.00 -0.06 -0.04 1.21 1.02 2vr3A1 ILE 316 HG23 -0.13 0.01 -0.12 -0.04 0.93 0.64 2vr3A1 ILE 316 HD13 -0.09 0.01 -0.18 -0.04 0.88 0.58 2vr3A1 TYR 317 H -0.54 0.51 0.29 -0.55 8.29 7.99 2vr3A1 TYR 317 HA -0.30 0.28 0.87 -0.75 4.56 4.65 2vr3A1 TYR 317 HB2 -1.59 0.01 0.02 -0.04 3.06 1.45 2vr3A1 TYR 317 HB3 -0.50 0.01 -0.26 -0.04 2.98 2.19 2vr3A1 TYR 317 HD2 -0.37 -0.04 -0.40 -0.04 7.15 6.30 2vr3A1 TYR 317 HE2 -0.06 0.06 -0.15 -0.04 6.85 6.65 2vr3A1 THR 318 H -0.09 0.70 0.28 -0.55 8.28 8.61 2vr3A1 THR 318 HA -0.04 0.31 1.05 -0.75 4.39 4.96 2vr3A1 THR 318 HB -0.03 -0.03 0.15 -0.04 4.32 4.37 2vr3A1 THR 318 HG23 0.04 0.05 -0.08 -0.04 1.22 1.19 2vr3A1 PHE 319 H 0.17 0.84 0.28 -0.55 8.34 9.07 2vr3A1 PHE 319 HA 0.13 0.15 0.75 -0.75 4.62 4.90 2vr3A1 PHE 319 HB2 0.10 0.03 0.13 -0.04 3.15 3.38 2vr3A1 PHE 319 HB3 0.11 0.04 -0.01 -0.04 3.06 3.15 2vr3A1 PHE 319 HD2 0.15 0.10 -0.17 -0.04 7.28 7.32 2vr3A1 PHE 319 HE2 0.16 -0.03 -0.26 -0.04 7.38 7.21 2vr3A1 PHE 319 HZ -0.12 -0.01 -0.24 -0.04 7.32 6.91 2vr3A1 THR 320 H 0.30 0.49 0.25 -0.55 8.28 8.78 2vr3A1 THR 320 HA 0.12 0.12 0.59 -0.75 4.39 4.47 2vr3A1 THR 320 HB 0.18 0.08 0.17 -0.04 4.32 4.71 2vr3A1 THR 320 HG23 0.12 -0.03 0.18 -0.04 1.22 1.45 2vr3A1 ASP 321 H 0.11 0.23 0.18 -0.55 8.40 8.37 2vr3A1 ASP 321 HA 0.08 0.07 0.64 -0.75 4.63 4.66 2vr3A1 TYR 322 H 0.23 0.14 -0.20 -0.55 8.29 7.91 2vr3A1 TYR 322 HA 0.04 0.07 0.45 -0.75 4.56 4.36 2vr3A1 TYR 322 HB2 0.06 0.12 0.00 -0.04 3.06 3.20 2vr3A1 TYR 322 HB3 0.10 0.02 -0.02 -0.04 2.98 3.04 2vr3A1 TYR 322 HD2 0.05 0.04 -0.27 -0.04 7.15 6.93 2vr3A1 TYR 322 HE2 0.02 0.03 -0.19 -0.04 6.85 6.67 2vr3A1 VAL 323 H 0.20 0.26 -0.42 -0.55 8.24 7.73 2vr3A1 VAL 323 HA 0.02 0.08 0.43 -0.75 4.13 3.90 2vr3A1 VAL 323 HB -0.09 0.25 -0.14 -0.04 2.12 2.11 2vr3A1 VAL 323 HG13 -0.09 -0.03 -0.14 -0.04 0.97 0.66 2vr3A1 VAL 323 HG23 0.03 0.03 -0.43 -0.04 0.95 0.55 2vr3A1 ASN 324 H 0.02 0.32 -0.41 -0.55 8.53 7.91 2vr3A1 ASN 324 HA -0.01 0.09 0.49 -0.75 4.76 4.58 2vr3A1 ASN 324 HB2 0.00 0.28 0.24 -0.04 2.88 3.36 2vr3A1 ASN 324 HB3 -0.00 -0.03 0.06 -0.04 2.79 2.77 2vr3A1 ASN 324 HD21 0.03 -0.03 0.09 -0.04 7.03 7.08 2vr3A1 ASN 324 HD22 0.02 0.03 0.09 -0.04 7.74 7.84 2vr3A1 THR 325 H -0.09 0.18 -0.20 -0.55 8.28 7.61 2vr3A1 THR 325 HA -0.06 0.24 0.95 -0.75 4.39 4.77 2vr3A1 THR 325 HB -0.07 -0.05 0.10 -0.04 4.32 4.26 2vr3A1 THR 325 HG23 -0.04 -0.01 -0.12 -0.04 1.22 1.01 2vr3A1 LYS 326 H -0.16 0.19 -0.02 -0.55 8.42 7.88 2vr3A1 LYS 326 HA -0.13 0.20 1.03 -0.75 4.32 4.67 2vr3A1 LYS 326 HB2 -0.37 0.05 0.01 -0.04 1.87 1.52 2vr3A1 LYS 326 HB3 -0.16 -0.09 0.00 -0.04 1.79 1.50 2vr3A1 LYS 326 HG2 -0.40 -0.08 -0.31 -0.04 1.46 0.63 2vr3A1 LYS 326 HG3 -1.28 -0.04 -0.09 -0.04 1.46 0.01 2vr3A1 LYS 326 HD2 -0.15 -0.06 -0.42 -0.04 1.69 1.02 2vr3A1 LYS 326 HD3 -0.15 0.05 -0.54 -0.04 1.68 1.00 2vr3A1 LYS 326 HE2 -0.15 -0.01 -0.14 -0.04 2.99 2.66 2vr3A1 LYS 326 HE3 -0.33 -0.01 -0.11 -0.04 2.99 2.50 2vr3A1 CYS 327 H -0.05 0.72 0.35 -0.55 8.50 8.98 2vr3A1 CYS 327 HA -0.03 0.20 0.89 -0.75 4.58 4.88 2vr3A1 CYS 327 HB2 -0.03 0.10 -0.17 -0.04 2.97 2.83 2vr3A1 CYS 327 HB3 -0.02 -0.10 0.04 -0.04 2.97 2.84 2vr3A1 ASP 328 H -0.02 0.12 0.18 -0.55 8.40 8.14 2vr3A1 ASP 328 HA -0.01 0.04 0.36 -0.75 4.63 4.27 2vr3A1 ASP 328 HB2 -0.00 0.05 0.06 -0.04 2.71 2.78 2vr3A1 ASP 328 HB3 -0.00 0.01 0.18 -0.04 2.70 2.85 2vr3A1 VAL 329 H -0.00 0.08 -0.21 -0.55 8.24 7.56 2vr3A1 VAL 329 HA 0.05 0.41 0.88 -0.75 4.13 4.72 2vr3A1 VAL 329 HB 0.01 -0.01 -0.03 -0.04 2.12 2.05 2vr3A1 VAL 329 HG13 0.13 -0.00 -0.17 -0.04 0.97 0.89 2vr3A1 VAL 329 HG23 0.10 -0.02 -0.27 -0.04 0.95 0.72 2vr3A1 LYS 330 H 0.01 0.47 0.45 -0.55 8.42 8.80 2vr3A1 LYS 330 HA -0.07 0.20 1.00 -0.75 4.32 4.70 2vr3A1 ALA 331 H -0.43 0.58 0.40 -0.55 8.40 8.41 2vr3A1 ALA 331 HA -0.21 0.21 0.98 -0.75 4.34 4.56 2vr3A1 ALA 331 HB3 -0.44 -0.00 -0.15 -0.04 1.41 0.78 2vr3A1 THR 332 H -0.18 0.68 0.47 -0.55 8.28 8.71 2vr3A1 THR 332 HA -0.17 0.27 0.96 -0.75 4.39 4.69 2vr3A1 THR 332 HB -0.05 0.03 0.18 -0.04 4.32 4.44 2vr3A1 THR 332 HG23 -0.11 -0.03 -0.09 -0.04 1.22 0.95 2vr3A1 LEU 333 H 0.06 0.61 0.41 -0.55 8.37 8.90 2vr3A1 LEU 333 HA 0.06 0.19 1.08 -0.75 4.35 4.92 2vr3A1 LEU 333 HB2 0.07 -0.00 -0.22 -0.04 1.64 1.45 2vr3A1 LEU 333 HB3 0.31 -0.06 -0.05 -0.04 1.64 1.80 2vr3A1 LEU 333 HG 0.33 -0.01 -0.41 -0.04 1.64 1.51 2vr3A1 LEU 333 HD13 0.13 0.06 -0.01 -0.04 0.93 1.07 2vr3A1 LEU 333 HD23 0.12 -0.02 -0.18 -0.04 0.89 0.76 2vr3A1 THR 334 H 0.09 0.77 0.46 -0.55 8.28 9.05 2vr3A1 THR 334 HA 0.06 0.34 0.98 -0.75 4.39 5.01 2vr3A1 THR 334 HB 0.05 -0.05 0.19 -0.04 4.32 4.47 2vr3A1 THR 334 HG23 0.04 -0.01 -0.15 -0.04 1.22 1.06 2vr3A1 MET 335 H 0.10 0.71 0.29 -0.55 8.47 9.03 2vr3A1 MET 335 HA 0.10 0.16 0.87 -0.75 4.52 4.90 2vr3A1 MET 335 HB2 0.20 -0.08 0.09 -0.04 2.15 2.32 2vr3A1 MET 335 HB3 0.12 0.16 0.06 -0.04 2.03 2.33 2vr3A1 MET 335 HG2 0.16 0.06 0.04 -0.04 2.63 2.85 2vr3A1 MET 335 HG3 0.26 -0.08 -0.32 -0.04 2.56 2.38 2vr3A1 MET 335 HE3 0.20 -0.02 -0.13 -0.04 2.10 2.12 2vr3A1 PRO 336 HA 0.06 0.24 0.81 -0.51 4.44 5.04 2vr3A1 PRO 336 HB2 -0.11 0.03 -0.10 -0.04 2.28 2.05 2vr3A1 PRO 336 HB3 -0.23 0.02 0.01 -0.04 2.02 1.78 2vr3A1 PRO 336 HG2 0.01 -0.03 -0.38 -0.04 2.03 1.60 2vr3A1 PRO 336 HG3 0.05 0.07 -0.12 -0.04 2.03 1.99 2vr3A1 PRO 336 HD2 0.07 0.10 0.10 -0.04 3.68 3.90 2vr3A1 PRO 336 HD3 0.07 0.11 -0.10 -0.04 3.65 3.69 2vr3A1 ALA 337 H -0.18 0.79 0.44 -0.55 8.40 8.90 2vr3A1 ALA 337 HA -0.19 0.19 0.73 -0.75 4.34 4.32 2vr3A1 ALA 337 HB3 -0.02 -0.01 -0.10 -0.04 1.41 1.24 2vr3A1 TYR 338 H 0.11 0.59 0.32 -0.55 8.29 8.76 2vr3A1 TYR 338 HA 0.12 0.13 0.86 -0.75 4.56 4.92 2vr3A1 TYR 338 HB2 0.08 -0.14 -0.07 -0.04 3.06 2.89 2vr3A1 TYR 338 HB3 0.11 0.10 0.01 -0.04 2.98 3.15 2vr3A1 TYR 338 HD2 0.09 0.01 -0.27 -0.04 7.15 6.94 2vr3A1 TYR 338 HE2 -0.05 0.16 -0.30 -0.04 6.85 6.62 2vr3A1 ILE 339 H 0.18 0.16 0.13 -0.55 8.25 8.17 2vr3A1 ILE 339 HA 0.08 0.17 0.46 -0.75 4.18 4.14 2vr3A1 ILE 339 HB 0.16 -0.01 0.06 -0.04 1.89 2.06 2vr3A1 ILE 339 HG12 0.07 -0.02 0.02 -0.04 1.49 1.53 2vr3A1 ILE 339 HG13 -0.04 -0.01 -0.07 -0.04 1.21 1.06 2vr3A1 ILE 339 HG23 0.06 0.03 -0.13 -0.04 0.93 0.84 2vr3A1 ILE 339 HD13 0.01 -0.01 -0.16 -0.04 0.88 0.68 2vr3A1 ASP 340 H 0.09 0.81 0.26 -0.55 8.40 9.01 2vr3A1 ASP 340 HA 0.11 0.08 0.45 -0.75 4.63 4.52 2vr3A1 ASP 340 HB2 0.07 0.04 -0.39 -0.04 2.71 2.38 2vr3A1 ASP 340 HB3 0.04 0.03 -0.01 -0.04 2.70 2.73 2vr3A1 PRO 341 HA 0.14 0.18 0.31 -0.51 4.44 4.56 2vr3A1 PRO 341 HB2 0.19 -0.03 -0.11 -0.04 2.28 2.29 2vr3A1 PRO 341 HB3 0.15 0.16 0.02 -0.04 2.02 2.31 2vr3A1 PRO 341 HG2 0.11 -0.10 0.07 -0.04 2.03 2.08 2vr3A1 PRO 341 HG3 0.13 0.11 0.04 -0.04 2.03 2.26 2vr3A1 PRO 341 HD2 0.11 -0.00 0.29 -0.04 3.68 4.03 2vr3A1 PRO 341 HD3 0.15 0.35 0.24 -0.04 3.65 4.36 2vr3A1 GLU 342 H -0.04 0.10 -0.19 -0.55 8.60 7.93 2vr3A1 GLU 342 HA -0.62 0.11 0.45 -0.75 4.29 3.47 2vr3A1 GLU 342 HB2 -0.73 -0.01 0.00 -0.04 2.09 1.31 2vr3A1 GLU 342 HB3 -0.24 -0.00 0.02 -0.04 1.99 1.73 2vr3A1 GLU 342 HG2 -0.34 0.03 -0.26 -0.04 2.34 1.73 2vr3A1 GLU 342 HG3 -1.00 0.00 -0.01 -0.04 2.34 1.29 2vr3A1 ASN 343 H -0.05 0.10 -0.26 -0.55 8.53 7.77 2vr3A1 ASN 343 HA -0.07 0.10 0.53 -0.75 4.76 4.57 2vr3A1 ASN 343 HB2 -0.01 0.14 0.03 -0.04 2.88 3.01 2vr3A1 ASN 343 HB3 -0.01 -0.08 -0.07 -0.04 2.79 2.59 2vr3A1 VAL 344 H 0.04 0.57 -0.24 -0.55 8.24 8.06 2vr3A1 VAL 344 HA 0.06 0.12 0.86 -0.75 4.13 4.42 2vr3A1 VAL 344 HB 0.15 0.03 0.03 -0.04 2.12 2.29 2vr3A1 VAL 344 HG13 0.07 -0.02 -0.07 -0.04 0.97 0.90 2vr3A1 VAL 344 HG23 0.03 -0.01 -0.08 -0.04 0.95 0.85 2vr3A1 LYS 345 H 0.06 0.16 -0.15 -0.55 8.42 7.95 2vr3A1 LYS 345 HA 0.09 0.16 0.48 -0.75 4.32 4.30 2vr3A1 LYS 345 HB2 0.06 -0.01 0.05 -0.04 1.87 1.93 2vr3A1 LYS 345 HB3 0.08 -0.09 0.08 -0.04 1.79 1.82 2vr3A1 LYS 345 HG2 -0.03 0.13 0.00 -0.04 1.46 1.53 2vr3A1 LYS 345 HG3 -0.03 0.11 -0.02 -0.04 1.46 1.47 2vr3A1 LYS 345 HD2 0.04 -0.03 -0.01 -0.04 1.69 1.65 2vr3A1 LYS 345 HD3 0.16 -0.06 -0.02 -0.04 1.68 1.72 2vr3A1 LYS 345 HE2 -0.53 -0.05 0.08 -0.04 2.99 2.44 2vr3A1 LYS 345 HE3 -0.14 0.08 0.06 -0.04 2.99 2.94 2vr3A1 LYS 346 H 0.13 0.11 -0.07 -0.55 8.42 8.05 2vr3A1 LYS 346 HA 0.24 0.11 1.00 -0.75 4.32 4.92 2vr3A1 LYS 346 HB2 0.08 0.02 -0.01 -0.04 1.87 1.91 2vr3A1 LYS 346 HB3 0.10 0.05 0.12 -0.04 1.79 2.02 2vr3A1 LYS 346 HG2 0.09 0.03 -0.03 -0.04 1.46 1.52 2vr3A1 LYS 346 HG3 0.08 -0.11 -0.28 -0.04 1.46 1.11 2vr3A1 LYS 346 HD2 0.04 -0.02 -0.03 -0.04 1.69 1.64 2vr3A1 LYS 346 HD3 0.05 0.02 0.00 -0.04 1.68 1.71 2vr3A1 THR 347 H 0.19 0.09 0.15 -0.55 8.28 8.17 2vr3A1 THR 347 HA -0.11 0.28 0.77 -0.75 4.39 4.58 2vr3A1 THR 347 HB 0.07 0.00 0.21 -0.04 4.32 4.56 2vr3A1 THR 347 HG23 -0.02 0.02 -0.01 -0.04 1.22 1.17 2vr3A1 GLY 348 H -0.10 0.45 0.37 -0.55 8.43 8.61 2vr3A1 GLY 348 HA2 -0.03 -0.02 0.27 -0.51 4.01 3.72 2vr3A1 GLY 348 HA3 -0.02 0.12 0.53 -0.51 4.01 4.14 2vr3A1 ASN 349 H -0.03 0.11 0.15 -0.55 8.53 8.21 2vr3A1 ASN 349 HA -0.05 0.19 0.60 -0.75 4.76 4.73 2vr3A1 ASN 349 HB2 -0.02 -0.02 0.13 -0.04 2.88 2.93 2vr3A1 ASN 349 HB3 -0.03 0.02 -0.06 -0.04 2.79 2.68 2vr3A1 ASN 349 HD21 -0.02 0.00 -0.02 -0.04 7.03 6.95 2vr3A1 ASN 349 HD22 -0.02 0.01 -0.00 -0.04 7.74 7.69 2vr3A1 VAL 350 H -0.05 1.08 0.49 -0.55 8.24 9.21 2vr3A1 VAL 350 HA -0.02 0.12 0.82 -0.75 4.13 4.29 2vr3A1 VAL 350 HB -0.05 -0.03 0.05 -0.04 2.12 2.06 2vr3A1 VAL 350 HG13 -0.01 0.00 -0.12 -0.04 0.97 0.80 2vr3A1 VAL 350 HG23 -0.03 0.04 -0.16 -0.04 0.95 0.76 2vr3A1 THR 351 H -0.01 0.20 0.12 -0.55 8.28 8.04 2vr3A1 THR 351 HA -0.02 0.23 1.12 -0.75 4.39 4.96 2vr3A1 THR 351 HB -0.01 -0.02 0.16 -0.04 4.32 4.41 2vr3A1 THR 351 HG23 -0.01 -0.01 -0.21 -0.04 1.22 0.95 2vr3A1 LEU 352 H -0.02 1.00 0.42 -0.55 8.37 9.23 2vr3A1 LEU 352 HA -0.00 0.07 0.76 -0.75 4.35 4.43 2vr3A1 LEU 352 HB2 -0.02 -0.03 0.00 -0.04 1.64 1.55 2vr3A1 LEU 352 HB3 -0.00 0.01 -0.08 -0.04 1.64 1.52 2vr3A1 LEU 352 HG -0.03 0.07 -0.16 -0.04 1.64 1.47 2vr3A1 LEU 352 HD13 -0.03 -0.00 -0.20 -0.04 0.93 0.66 2vr3A1 LEU 352 HD23 -0.01 0.01 -0.27 -0.04 0.89 0.57 2vr3A1 ALA 353 H 0.01 0.23 0.21 -0.55 8.40 8.31 2vr3A1 ALA 353 HA 0.02 0.35 1.10 -0.75 4.34 5.06 2vr3A1 ALA 353 HB3 0.02 -0.01 -0.05 -0.04 1.41 1.33 2vr3A1 THR 354 H 0.05 0.50 0.35 -0.55 8.28 8.62 2vr3A1 THR 354 HA 0.08 0.26 0.66 -0.75 4.39 4.65 2vr3A1 THR 354 HB 0.10 -0.03 -0.06 -0.04 4.32 4.29 2vr3A1 THR 354 HG23 0.09 -0.02 -0.18 -0.04 1.22 1.07 2vr3A1 GLY 355 H 0.17 0.38 0.32 -0.55 8.43 8.76 2vr3A1 GLY 355 HA2 0.18 0.04 0.56 -0.51 4.01 4.28 2vr3A1 GLY 355 HA3 0.09 0.13 0.33 -0.51 4.01 4.06 2vr3A1 ILE 356 H 0.10 0.65 0.17 -0.55 8.25 8.62 2vr3A1 ILE 356 HA 0.04 0.14 0.81 -0.75 4.18 4.41 2vr3A1 ILE 356 HB 0.07 0.01 0.09 -0.04 1.89 2.02 2vr3A1 ILE 356 HG12 -0.00 -0.01 -0.08 -0.04 1.49 1.36 2vr3A1 ILE 356 HG13 -0.00 -0.02 -0.52 -0.04 1.21 0.62 2vr3A1 ILE 356 HG23 -0.04 -0.01 -0.14 -0.04 0.93 0.70 2vr3A1 ILE 356 HD13 -0.00 0.01 -0.14 -0.04 0.88 0.71 2vr3A1 GLY 357 H 0.03 0.19 0.10 -0.55 8.43 8.21 2vr3A1 GLY 357 HA2 0.02 0.01 0.27 -0.51 4.01 3.80 2vr3A1 GLY 357 HA3 0.02 0.04 0.59 -0.51 4.01 4.15 2vr3A1 SER 358 H 0.02 0.14 0.18 -0.55 8.46 8.25 2vr3A1 SER 358 HA 0.02 0.11 0.53 -0.75 4.49 4.39 2vr3A1 SER 358 HB2 0.02 0.02 0.02 -0.04 3.95 3.96 2vr3A1 SER 358 HB3 0.01 -0.01 0.09 -0.04 3.93 3.98 2vr3A1 THR 359 H 0.03 0.25 -0.14 -0.55 8.28 7.88 2vr3A1 THR 359 HA 0.03 0.09 0.67 -0.75 4.39 4.43 2vr3A1 THR 359 HB 0.07 -0.03 0.09 -0.04 4.32 4.40 2vr3A1 THR 359 HG23 0.05 0.04 -0.15 -0.04 1.22 1.12 2vr3A1 THR 360 H 0.03 0.22 0.21 -0.55 8.28 8.19 2vr3A1 THR 360 HA 0.07 0.17 1.16 -0.75 4.39 5.04 2vr3A1 THR 360 HB 0.03 0.05 -0.01 -0.04 4.32 4.36 2vr3A1 THR 360 HG23 0.04 -0.01 -0.36 -0.04 1.22 0.84 2vr3A1 ALA 361 H 0.05 0.76 0.38 -0.55 8.40 9.05 2vr3A1 ALA 361 HA 0.01 0.14 0.77 -0.75 4.34 4.50 2vr3A1 ALA 361 HB3 -0.01 0.02 -0.19 -0.04 1.41 1.20 2vr3A1 ASN 362 H -0.00 0.24 0.22 -0.55 8.53 8.44 2vr3A1 ASN 362 HA -0.00 0.36 0.91 -0.75 4.76 5.27 2vr3A1 ASN 362 HB2 -0.00 0.01 -0.00 -0.04 2.88 2.84 2vr3A1 ASN 362 HB3 0.01 -0.00 -0.09 -0.04 2.79 2.66 2vr3A1 ASN 362 HD21 0.00 0.01 -0.06 -0.04 7.03 6.94 2vr3A1 ASN 362 HD22 0.01 -0.01 -0.22 -0.04 7.74 7.47 2vr3A1 LYS 363 H -0.01 0.76 0.38 -0.55 8.42 8.99 2vr3A1 LYS 363 HA -0.02 0.09 0.74 -0.75 4.32 4.37 2vr3A1 LYS 363 HB2 -0.03 -0.00 -0.21 -0.04 1.87 1.59 2vr3A1 LYS 363 HB3 -0.04 -0.05 -0.03 -0.04 1.79 1.64 2vr3A1 LYS 363 HG2 -0.04 0.05 -0.13 -0.04 1.46 1.30 2vr3A1 LYS 363 HG3 -0.04 -0.01 0.13 -0.04 1.46 1.50 2vr3A1 LYS 363 HD2 -0.05 0.09 0.03 -0.04 1.69 1.72 2vr3A1 LYS 363 HD3 -0.05 -0.07 -0.15 -0.04 1.68 1.37 2vr3A1 LYS 363 HE2 -0.06 0.03 -0.05 -0.04 2.99 2.86 2vr3A1 LYS 363 HE3 -0.06 0.05 -0.16 -0.04 2.99 2.78 2vr3A1 THR 364 H -0.03 0.23 0.19 -0.55 8.28 8.12 2vr3A1 THR 364 HA -0.03 0.28 1.26 -0.75 4.39 5.14 2vr3A1 THR 364 HB -0.02 -0.03 0.13 -0.04 4.32 4.36 2vr3A1 THR 364 HG23 -0.03 -0.01 -0.28 -0.04 1.22 0.86 2vr3A1 VAL 365 H -0.05 0.94 0.40 -0.55 8.24 8.98 2vr3A1 VAL 365 HA -0.07 0.22 0.98 -0.75 4.13 4.51 2vr3A1 VAL 365 HB -0.11 0.09 -0.11 -0.04 2.12 1.95 2vr3A1 VAL 365 HG13 -0.07 -0.02 -0.28 -0.04 0.97 0.56 2vr3A1 VAL 365 HG23 -0.08 -0.01 -0.21 -0.04 0.95 0.61 2vr3A1 LEU 366 H -0.10 0.54 0.35 -0.55 8.37 8.60 2vr3A1 LEU 366 HA -0.09 0.12 0.66 -0.75 4.35 4.28 2vr3A1 LEU 366 HB2 -0.07 -0.01 0.02 -0.04 1.64 1.53 2vr3A1 LEU 366 HB3 -0.12 0.01 0.19 -0.04 1.64 1.69 2vr3A1 LEU 366 HG -0.15 -0.02 -0.55 -0.04 1.64 0.87 2vr3A1 LEU 366 HD13 -0.06 0.00 -0.18 -0.04 0.93 0.65 2vr3A1 LEU 366 HD23 -0.08 -0.01 -0.08 -0.04 0.89 0.68 2vr3A1 VAL 367 H -0.14 0.81 0.30 -0.55 8.24 8.67 2vr3A1 VAL 367 HA -0.26 0.17 0.96 -0.75 4.13 4.24 2vr3A1 VAL 367 HB -0.23 0.02 0.26 -0.04 2.12 2.14 2vr3A1 VAL 367 HG13 -0.64 -0.01 -0.21 -0.04 0.97 0.07 2vr3A1 VAL 367 HG23 -0.12 0.00 -0.03 -0.04 0.95 0.76 2vr3A1 ASP 368 H -0.34 0.69 0.18 -0.55 8.40 8.38 2vr3A1 ASP 368 HA -0.11 0.07 0.90 -0.75 4.63 4.73 2vr3A1 ASP 368 HB2 -0.16 -0.02 -0.04 -0.04 2.71 2.45 2vr3A1 ASP 368 HB3 -0.07 0.03 0.11 -0.04 2.70 2.73 2vr3A1 TYR 369 H -0.05 0.16 0.10 -0.55 8.29 7.95 2vr3A1 TYR 369 HA -0.10 0.06 0.71 -0.75 4.56 4.48 2vr3A1 TYR 369 HB2 0.07 -0.06 -0.03 -0.04 3.06 3.00 2vr3A1 TYR 369 HB3 0.08 0.17 0.03 -0.04 2.98 3.22 2vr3A1 TYR 369 HD2 -0.39 -0.12 -0.21 -0.04 7.15 6.38 2vr3A1 TYR 369 HE2 -0.04 0.02 -0.36 -0.04 6.85 6.43 2vr3A1 GLU 370 H 0.14 -0.09 -0.13 -0.55 8.60 7.97 2vr3A1 GLU 370 HA 0.12 -0.03 0.27 -0.75 4.29 3.89 2vr3A1 GLU 370 HB2 0.20 0.32 -0.23 -0.04 2.09 2.34 2vr3A1 GLU 370 HB3 0.12 -0.13 0.16 -0.04 1.99 2.11 2vr3A1 GLU 370 HG2 0.19 -0.07 -0.13 -0.04 2.34 2.29 2vr3A1 GLU 370 HG3 0.23 0.06 -0.44 -0.04 2.34 2.16 2vr3A1 LYS 371 H 0.12 0.16 0.18 -0.55 8.42 8.33 2vr3A1 LYS 371 HA -0.03 0.13 0.82 -0.75 4.32 4.49 2vr3A1 LYS 371 HB2 -0.16 0.22 -0.00 -0.04 1.87 1.89 2vr3A1 LYS 371 HB3 -0.10 -0.04 -0.04 -0.04 1.79 1.57 2vr3A1 TYR 372 H -0.10 0.08 0.12 -0.55 8.29 7.84 2vr3A1 TYR 372 HA -0.37 0.11 0.71 -0.75 4.56 4.25 2vr3A1 TYR 372 HB2 -0.16 0.01 -0.09 -0.04 3.06 2.77 2vr3A1 TYR 372 HB3 -0.01 0.04 0.05 -0.04 2.98 3.03 2vr3A1 TYR 372 HD2 0.03 0.11 -0.35 -0.04 7.15 6.90 2vr3A1 TYR 372 HE2 0.02 0.03 -0.18 -0.04 6.85 6.67 2vr3A1 GLY 373 H -0.38 0.50 0.36 -0.55 8.43 8.37 2vr3A1 GLY 373 HA2 0.31 0.08 0.65 -0.51 4.01 4.54 2vr3A1 GLY 373 HA3 0.44 0.06 0.42 -0.51 4.01 4.42 2vr3A1 LYS 374 H 0.21 0.21 0.23 -0.55 8.42 8.52 2vr3A1 LYS 374 HA 0.18 0.36 0.90 -0.75 4.32 5.00 2vr3A1 LYS 374 HB2 0.28 0.01 -0.37 -0.04 1.87 1.75 2vr3A1 LYS 374 HB3 0.14 -0.03 -0.10 -0.04 1.79 1.77 2vr3A1 LYS 374 HG2 0.10 0.01 -0.29 -0.04 1.46 1.24 2vr3A1 LYS 374 HG3 0.12 -0.03 -0.36 -0.04 1.46 1.15 2vr3A1 LYS 374 HD2 0.26 -0.04 -0.17 -0.04 1.69 1.70 2vr3A1 LYS 374 HD3 0.11 -0.03 -0.14 -0.04 1.68 1.59 2vr3A1 LYS 374 HE2 0.04 0.13 -0.08 -0.04 2.99 3.04 2vr3A1 LYS 374 HE3 0.06 -0.07 -0.20 -0.04 2.99 2.74 2vr3A1 PHE 375 H 0.19 0.35 -0.06 -0.55 8.34 8.27 2vr3A1 PHE 375 HA 0.04 0.04 0.74 -0.75 4.62 4.68 2vr3A1 PHE 375 HB2 0.06 0.05 -0.23 -0.04 3.15 3.00 2vr3A1 PHE 375 HB3 0.05 0.04 0.06 -0.04 3.06 3.17 2vr3A1 PHE 375 HD2 0.04 0.02 -0.00 -0.04 7.28 7.30 2vr3A1 PHE 375 HE2 0.06 -0.06 0.05 -0.04 7.38 7.39 2vr3A1 PHE 375 HZ 0.09 -0.02 0.03 -0.04 7.32 7.38 2vr3A1 TYR 376 H -0.41 0.14 0.10 -0.55 8.29 7.58 2vr3A1 TYR 376 HA -0.14 0.06 0.30 -0.75 4.56 4.03 2vr3A1 TYR 376 HB2 -0.31 0.12 0.13 -0.04 3.06 2.96 2vr3A1 TYR 376 HB3 -0.15 -0.06 0.21 -0.04 2.98 2.94 2vr3A1 TYR 376 HD2 -0.81 -0.03 -0.07 -0.04 7.15 6.21 2vr3A1 TYR 376 HE2 -0.27 0.02 0.01 -0.04 6.85 6.57 2vr3A1 ASN 377 H 0.08 0.11 0.13 -0.55 8.53 8.30 2vr3A1 ASN 377 HA 0.03 0.17 0.62 -0.75 4.76 4.83 2vr3A1 ASN 377 HB2 0.02 0.04 0.17 -0.04 2.88 3.07 2vr3A1 ASN 377 HB3 0.04 -0.11 0.11 -0.04 2.79 2.79 2vr3A1 ASN 377 HD21 0.03 0.08 0.10 -0.04 7.03 7.19 2vr3A1 ASN 377 HD22 0.02 0.73 0.32 -0.04 7.74 8.76 2vr3A1 LEU 378 H 0.06 0.50 -0.53 -0.55 8.37 7.85 2vr3A1 LEU 378 HA -0.01 0.14 0.77 -0.75 4.35 4.49 2vr3A1 LEU 378 HB2 0.13 0.07 0.08 -0.04 1.64 1.87 2vr3A1 LEU 378 HB3 -0.01 0.02 -0.11 -0.04 1.64 1.49 2vr3A1 LEU 378 HG -0.01 -0.09 -0.17 -0.04 1.64 1.33 2vr3A1 LEU 378 HD13 -0.13 0.04 -0.34 -0.04 0.93 0.47 2vr3A1 LEU 378 HD23 -0.08 0.02 -0.40 -0.04 0.89 0.38 2vr3A1 SER 379 H -0.04 0.15 0.08 -0.55 8.46 8.11 2vr3A1 SER 379 HA 0.05 0.50 1.10 -0.75 4.49 5.38 2vr3A1 SER 379 HB2 -0.37 0.05 -0.06 -0.04 3.95 3.53 2vr3A1 SER 379 HB3 -0.01 0.03 -0.08 -0.04 3.93 3.83 2vr3A1 ILE 380 H -0.05 0.58 0.27 -0.55 8.25 8.49 2vr3A1 ILE 380 HA -0.09 0.33 0.89 -0.75 4.18 4.56 2vr3A1 ILE 380 HB -0.01 0.05 -0.34 -0.04 1.89 1.55 2vr3A1 ILE 380 HG12 -0.06 -0.04 -0.24 -0.04 1.49 1.11 2vr3A1 ILE 380 HG13 0.01 0.07 -0.02 -0.04 1.21 1.23 2vr3A1 ILE 380 HG23 0.10 0.02 -0.28 -0.04 0.93 0.72 2vr3A1 ILE 380 HD13 0.08 -0.01 -0.23 -0.04 0.88 0.68 2vr3A1 LYS 381 H -0.18 0.58 0.37 -0.55 8.42 8.64 2vr3A1 LYS 381 HA -1.87 0.06 0.27 -0.75 4.32 2.03 2vr3A1 LYS 381 HB2 -1.21 -0.05 0.45 -0.04 1.87 1.02 2vr3A1 LYS 381 HB3 -0.26 -0.05 0.11 -0.04 1.79 1.56 2vr3A1 LYS 381 HG2 -0.88 0.04 -0.20 -0.04 1.46 0.38 2vr3A1 LYS 381 HG3 -1.07 0.03 0.16 -0.04 1.46 0.53 2vr3A1 LYS 381 HD2 -0.21 0.08 -0.08 -0.04 1.69 1.43 2vr3A1 LYS 381 HD3 -0.02 -0.07 -0.10 -0.04 1.68 1.45 2vr3A1 LYS 381 HE2 -0.83 -0.00 -0.12 -0.04 2.99 2.00 2vr3A1 LYS 381 HE3 -0.09 0.02 -0.01 -0.04 2.99 2.87 2vr3A1 GLY 382 H -0.92 0.32 0.23 -0.55 8.43 7.51 2vr3A1 GLY 382 HA2 -0.17 0.33 1.12 -0.51 4.01 4.78 2vr3A1 GLY 382 HA3 -0.03 -0.04 0.24 -0.51 4.01 3.67 2vr3A1 THR 383 H -0.12 0.68 0.40 -0.55 8.28 8.70 2vr3A1 THR 383 HA -0.17 0.14 0.87 -0.75 4.39 4.47 2vr3A1 THR 383 HB -0.25 0.07 0.06 -0.04 4.32 4.16 2vr3A1 THR 383 HG23 -1.06 0.01 -0.20 -0.04 1.22 -0.07 2vr3A1 ILE 384 H -0.04 0.20 0.24 -0.55 8.25 8.10 2vr3A1 ILE 384 HA 0.07 0.18 1.07 -0.75 4.18 4.75 2vr3A1 ILE 384 HB 0.01 -0.01 0.09 -0.04 1.89 1.94 2vr3A1 ILE 384 HG12 0.06 0.01 -0.13 -0.04 1.49 1.40 2vr3A1 ILE 384 HG13 0.01 -0.07 -0.15 -0.04 1.21 0.96 2vr3A1 ILE 384 HG23 0.09 0.01 -0.05 -0.04 0.93 0.94 2vr3A1 ILE 384 HD13 -0.05 0.00 -0.21 -0.04 0.88 0.58 2vr3A1 ASP 385 H 0.08 0.74 0.37 -0.55 8.40 9.04 2vr3A1 ASP 385 HA 0.05 0.17 0.50 -0.75 4.63 4.60 2vr3A1 ASP 385 HB2 0.06 -0.06 0.15 -0.04 2.71 2.82 2vr3A1 ASP 385 HB3 0.06 0.07 -0.07 -0.04 2.70 2.72 2vr3A1 GLN 386 H 0.04 0.22 0.00 -0.55 8.47 8.19 2vr3A1 GLN 386 HA 0.03 0.07 0.08 -0.75 4.36 3.78 2vr3A1 GLN 386 HB2 0.03 0.00 -0.10 -0.04 2.15 2.03 2vr3A1 GLN 386 HB3 0.02 0.01 -0.17 -0.04 2.02 1.84 2vr3A1 GLN 386 HG2 -0.00 0.00 -0.02 -0.04 2.40 2.34 2vr3A1 GLN 386 HG3 0.00 -0.07 0.03 -0.04 2.39 2.31 2vr3A1 GLN 386 HE21 0.01 0.04 0.01 -0.04 6.97 6.99 2vr3A1 GLN 386 HE22 -0.00 -0.04 -0.01 -0.04 7.69 7.60 2vr3A1 ILE 387 H 0.07 0.60 -0.18 -0.55 8.25 8.19 2vr3A1 ILE 387 HA 0.10 0.15 0.78 -0.75 4.18 4.46 2vr3A1 ILE 387 HB 0.09 -0.10 0.07 -0.04 1.89 1.92 2vr3A1 ILE 387 HG12 0.12 0.04 0.01 -0.04 1.49 1.62 2vr3A1 ILE 387 HG13 0.12 0.11 -0.08 -0.04 1.21 1.32 2vr3A1 ILE 387 HG23 0.08 -0.01 -0.16 -0.04 0.93 0.80 2vr3A1 ILE 387 HD13 0.19 -0.02 -0.06 -0.04 0.88 0.95 2vr3A1 ASP 388 H 0.02 0.56 0.29 -0.55 8.40 8.73 2vr3A1 ASP 388 HA -0.02 0.03 0.91 -0.75 4.63 4.80 2vr3A1 ASP 388 HB2 -0.01 0.14 0.06 -0.04 2.71 2.85 2vr3A1 ASP 388 HB3 -0.03 0.01 0.21 -0.04 2.70 2.86 2vr3A1 LYS 389 H -0.05 0.22 0.13 -0.55 8.42 8.16 2vr3A1 LYS 389 HA -0.03 0.18 0.73 -0.75 4.32 4.45 2vr3A1 LYS 389 HB2 -0.09 0.02 0.06 -0.04 1.87 1.82 2vr3A1 LYS 389 HB3 -0.08 0.07 0.11 -0.04 1.79 1.86 2vr3A1 LYS 389 HG2 -0.10 0.01 -0.21 -0.04 1.46 1.12 2vr3A1 LYS 389 HG3 -0.14 0.01 -0.01 -0.04 1.46 1.28 2vr3A1 LYS 389 HD2 -0.25 0.01 -0.00 -0.04 1.69 1.41 2vr3A1 LYS 389 HD3 -0.26 0.04 -0.03 -0.04 1.68 1.39 2vr3A1 LYS 389 HE2 -0.75 -0.03 -0.06 -0.04 2.99 2.11 2vr3A1 LYS 389 HE3 -0.54 0.02 -0.00 -0.04 2.99 2.43 2vr3A1 THR 390 H -0.03 -0.02 -0.14 -0.55 8.28 7.55 2vr3A1 THR 390 HA -0.02 0.19 0.69 -0.75 4.39 4.50 2vr3A1 THR 390 HB -0.02 -0.07 0.09 -0.04 4.32 4.29 2vr3A1 THR 390 HG23 -0.01 0.02 -0.06 -0.04 1.22 1.13 2vr3A1 ASN 391 H -0.01 -0.04 -0.09 -0.55 8.53 7.84 2vr3A1 ASN 391 HA 0.01 0.20 0.61 -0.75 4.76 4.83 2vr3A1 ASN 391 HB2 -0.03 -0.03 0.02 -0.04 2.88 2.80 2vr3A1 ASN 391 HB3 -0.01 0.07 0.09 -0.04 2.79 2.90 2vr3A1 ASN 391 HD21 -0.01 0.01 -0.02 -0.04 7.03 6.98 2vr3A1 ASN 391 HD22 -0.02 0.00 0.01 -0.04 7.74 7.69 2vr3A1 ASN 392 H -0.00 0.05 -0.35 -0.55 8.53 7.69 2vr3A1 ASN 392 HA 0.03 0.01 0.34 -0.75 4.76 4.39 2vr3A1 ASN 392 HB2 0.09 0.15 -0.07 -0.04 2.88 3.01 2vr3A1 ASN 392 HB3 0.09 0.13 0.30 -0.04 2.79 3.27 2vr3A1 ASN 392 HD21 0.02 -0.02 -0.03 -0.04 7.03 6.96 2vr3A1 ASN 392 HD22 0.05 -0.00 -0.07 -0.04 7.74 7.67 2vr3A1 THR 393 H -0.03 0.24 0.13 -0.55 8.28 8.08 2vr3A1 THR 393 HA -0.26 0.31 1.16 -0.75 4.39 4.84 2vr3A1 THR 393 HB -0.20 0.05 0.08 -0.04 4.32 4.20 2vr3A1 THR 393 HG23 -0.48 0.08 -0.03 -0.04 1.22 0.74 2vr3A1 TYR 394 H -0.30 0.53 0.17 -0.55 8.29 8.15 2vr3A1 TYR 394 HA -0.01 0.19 0.43 -0.75 4.56 4.41 2vr3A1 TYR 394 HB2 0.02 0.05 0.04 -0.04 3.06 3.14 2vr3A1 TYR 394 HB3 0.01 -0.00 -0.20 -0.04 2.98 2.75 2vr3A1 TYR 394 HD2 0.02 0.03 -0.54 -0.04 7.15 6.62 2vr3A1 TYR 394 HE2 0.07 0.12 -0.15 -0.04 6.85 6.85 2vr3A1 ARG 395 H 0.12 0.58 0.17 -0.55 8.46 8.77 2vr3A1 ARG 395 HA -0.13 0.35 1.01 -0.75 4.34 4.82 2vr3A1 ARG 395 HB2 -0.04 0.01 -0.01 -0.04 1.90 1.81 2vr3A1 ARG 395 HB3 0.02 -0.07 -0.03 -0.04 1.80 1.68 2vr3A1 ARG 395 HG2 0.02 -0.04 -0.27 -0.04 1.67 1.34 2vr3A1 ARG 395 HG3 -0.03 0.17 0.03 -0.04 1.67 1.80 2vr3A1 ARG 395 HD2 -0.00 -0.02 -0.12 -0.04 3.22 3.03 2vr3A1 ARG 395 HD3 -0.02 -0.00 -0.07 -0.04 3.22 3.09 2vr3A1 GLN 396 H 0.05 0.56 0.31 -0.55 8.47 8.84 2vr3A1 GLN 396 HA 0.11 0.22 1.18 -0.75 4.36 5.11 2vr3A1 GLN 396 HB2 0.27 -0.02 -0.15 -0.04 2.15 2.20 2vr3A1 GLN 396 HB3 0.23 -0.05 0.06 -0.04 2.02 2.22 2vr3A1 GLN 396 HG2 0.13 -0.02 -0.51 -0.04 2.40 1.97 2vr3A1 GLN 396 HG3 0.10 0.12 -0.19 -0.04 2.39 2.37 2vr3A1 GLN 396 HE21 0.14 -0.02 -0.23 -0.04 6.97 6.81 2vr3A1 GLN 396 HE22 0.12 0.02 -0.28 -0.04 7.69 7.51 2vr3A1 THR 397 H 0.05 0.73 0.35 -0.55 8.28 8.86 2vr3A1 THR 397 HA 0.08 0.20 1.05 -0.75 4.39 4.97 2vr3A1 THR 397 HB 0.07 0.03 0.14 -0.04 4.32 4.52 2vr3A1 THR 397 HG23 0.06 0.00 -0.17 -0.04 1.22 1.07 2vr3A1 ILE 398 H 0.13 0.69 0.34 -0.55 8.25 8.86 2vr3A1 ILE 398 HA 0.05 0.23 1.19 -0.75 4.18 4.90 2vr3A1 ILE 398 HB 0.15 -0.02 0.13 -0.04 1.89 2.11 2vr3A1 ILE 398 HG12 0.11 -0.02 -0.19 -0.04 1.49 1.35 2vr3A1 ILE 398 HG13 0.12 -0.06 -0.57 -0.04 1.21 0.66 2vr3A1 ILE 398 HG23 0.11 -0.02 -0.30 -0.04 0.93 0.67 2vr3A1 ILE 398 HD13 0.22 -0.01 -0.16 -0.04 0.88 0.89 2vr3A1 TYR 399 H 0.12 0.76 0.36 -0.55 8.29 8.98 2vr3A1 TYR 399 HA 0.00 0.24 1.05 -0.75 4.56 5.10 2vr3A1 TYR 399 HB2 -0.02 -0.07 0.22 -0.04 3.06 3.15 2vr3A1 TYR 399 HB3 -0.11 -0.02 -0.00 -0.04 2.98 2.81 2vr3A1 TYR 399 HD2 -0.13 -0.01 -0.12 -0.04 7.15 6.84 2vr3A1 TYR 399 HE2 -0.45 0.12 -0.10 -0.04 6.85 6.38 2vr3A1 VAL 400 H 0.16 0.71 0.27 -0.55 8.24 8.83 2vr3A1 VAL 400 HA 0.03 0.17 0.98 -0.75 4.13 4.55 2vr3A1 VAL 400 HB 0.17 -0.02 0.10 -0.04 2.12 2.33 2vr3A1 VAL 400 HG13 -0.11 0.00 -0.11 -0.04 0.97 0.70 2vr3A1 VAL 400 HG23 0.21 0.00 -0.12 -0.04 0.95 1.00 2vr3A1 ASN 401 H -0.07 0.57 0.25 -0.55 8.53 8.74 2vr3A1 ASN 401 HA -0.12 -0.08 0.32 -0.75 4.76 4.12 2vr3A1 ASN 401 HB2 -0.08 -0.01 -0.11 -0.04 2.88 2.64 2vr3A1 ASN 401 HB3 -0.04 0.24 -0.03 -0.04 2.79 2.92 2vr3A1 ASN 401 HD21 -0.04 0.44 -0.40 -0.04 7.03 6.99 2vr3A1 ASN 401 HD22 -0.03 0.33 -0.33 -0.04 7.74 7.67 2vr3A1 PRO 402 HA -0.24 0.10 0.33 -0.51 4.44 4.11 2vr3A1 PRO 402 HB2 -0.54 0.04 -0.12 -0.04 2.28 1.62 2vr3A1 PRO 402 HB3 -0.12 0.06 -0.03 -0.04 2.02 1.89 2vr3A1 PRO 402 HG2 -1.11 -0.03 -0.18 -0.04 2.03 0.67 2vr3A1 PRO 402 HG3 -0.30 0.04 -0.16 -0.04 2.03 1.57 2vr3A1 PRO 402 HD2 -0.21 0.13 -0.57 -0.04 3.68 2.99 2vr3A1 PRO 402 HD3 -0.09 0.25 -0.65 -0.04 3.65 3.12 2vr3A1 SER 403 H -0.41 0.01 -0.56 -0.55 8.46 6.95 2vr3A1 SER 403 HA -0.09 0.17 0.41 -0.75 4.49 4.22 2vr3A1 SER 403 HB2 0.09 0.03 0.02 -0.04 3.95 4.06 2vr3A1 SER 403 HB3 -0.15 -0.02 -0.08 -0.04 3.93 3.64 2vr3A1 GLY 404 H -0.13 0.60 -0.57 -0.55 8.43 7.79 2vr3A1 GLY 404 HA2 -0.07 0.05 0.11 -0.51 4.01 3.58 2vr3A1 GLY 404 HA3 -0.05 -0.01 0.33 -0.51 4.01 3.77 2vr3A1 ASP 405 H -0.05 -0.10 -0.44 -0.55 8.40 7.27 2vr3A1 ASP 405 HA -0.01 0.07 0.46 -0.75 4.63 4.39 2vr3A1 ASP 405 HB2 -0.02 0.00 -0.02 -0.04 2.71 2.63 2vr3A1 ASP 405 HB3 -0.00 0.09 0.05 -0.04 2.70 2.79 2vr3A1 ASN 406 H 0.00 0.02 0.19 -0.55 8.53 8.20 2vr3A1 ASN 406 HA 0.00 0.37 0.98 -0.75 4.76 5.36 2vr3A1 ASN 406 HB2 0.02 -0.12 0.21 -0.04 2.88 2.95 2vr3A1 ASN 406 HB3 0.02 -0.01 -0.02 -0.04 2.79 2.74 2vr3A1 ASN 406 HD21 0.01 0.00 0.02 -0.04 7.03 7.02 2vr3A1 ASN 406 HD22 0.01 -0.07 0.05 -0.04 7.74 7.69 2vr3A1 VAL 407 H -0.00 0.66 0.34 -0.55 8.24 8.69 2vr3A1 VAL 407 HA 0.02 0.26 1.10 -0.75 4.13 4.76 2vr3A1 VAL 407 HB -0.06 -0.09 0.05 -0.04 2.12 1.98 2vr3A1 VAL 407 HG13 -0.03 0.02 -0.09 -0.04 0.97 0.82 2vr3A1 VAL 407 HG23 -0.05 0.06 -0.22 -0.04 0.95 0.70 2vr3A1 ILE 408 H 0.12 0.58 0.26 -0.55 8.25 8.66 2vr3A1 ILE 408 HA 0.10 0.24 1.15 -0.75 4.18 4.92 2vr3A1 ILE 408 HB 0.24 -0.06 0.11 -0.04 1.89 2.13 2vr3A1 ILE 408 HG12 0.06 0.01 -0.18 -0.04 1.49 1.34 2vr3A1 ILE 408 HG13 0.09 0.01 -0.18 -0.04 1.21 1.08 2vr3A1 ILE 408 HG23 0.10 0.01 -0.02 -0.04 0.93 0.98 2vr3A1 ILE 408 HD13 0.04 0.01 -0.11 -0.04 0.88 0.77 2vr3A1 ALA 409 H 0.14 1.34 0.49 -0.55 8.40 9.82 2vr3A1 ALA 409 HA 0.16 0.02 0.32 -0.75 4.34 4.09 2vr3A1 ALA 409 HB3 0.33 -0.01 0.07 -0.04 1.41 1.76 2vr3A1 PRO 410 HA 0.04 0.32 0.50 -0.51 4.44 4.80 2vr3A1 PRO 410 HB2 -0.22 0.00 -0.09 -0.04 2.28 1.93 2vr3A1 PRO 410 HB3 -0.12 -0.01 -0.01 -0.04 2.02 1.84 2vr3A1 PRO 410 HG2 -0.06 -0.06 0.00 -0.04 2.03 1.87 2vr3A1 PRO 410 HG3 -0.22 0.01 -0.06 -0.04 2.03 1.71 2vr3A1 PRO 410 HD2 0.09 0.03 -0.03 -0.04 3.68 3.73 2vr3A1 PRO 410 HD3 0.04 0.19 -0.21 -0.04 3.65 3.64 2vr3A1 VAL 411 H 0.14 0.60 0.40 -0.55 8.24 8.84 2vr3A1 VAL 411 HA 0.27 0.25 0.95 -0.75 4.13 4.84 2vr3A1 VAL 411 HB 0.27 -0.09 0.08 -0.04 2.12 2.34 2vr3A1 VAL 411 HG13 0.11 -0.01 -0.19 -0.04 0.97 0.83 2vr3A1 VAL 411 HG23 0.22 0.04 -0.19 -0.04 0.95 0.98 2vr3A1 LEU 412 H 0.20 0.49 0.32 -0.55 8.37 8.83 2vr3A1 LEU 412 HA 0.17 0.48 1.22 -0.75 4.35 5.46 2vr3A1 LEU 412 HB2 0.29 -0.02 0.03 -0.04 1.64 1.90 2vr3A1 LEU 412 HB3 0.18 -0.06 0.14 -0.04 1.64 1.86 2vr3A1 LEU 412 HG 0.12 0.05 -0.38 -0.04 1.64 1.38 2vr3A1 LEU 412 HD13 0.14 0.03 -0.14 -0.04 0.93 0.92 2vr3A1 LEU 412 HD23 0.29 -0.02 -0.17 -0.04 0.89 0.94 2vr3A1 THR 413 H 0.11 0.48 0.34 -0.55 8.28 8.66 2vr3A1 THR 413 HA -0.17 0.29 1.02 -0.75 4.39 4.78 2vr3A1 THR 413 HB -0.09 0.12 0.14 -0.04 4.32 4.45 2vr3A1 THR 413 HG23 0.06 -0.01 -0.08 -0.04 1.22 1.14 2vr3A1 GLY 414 H -0.85 0.57 0.29 -0.55 8.43 7.89 2vr3A1 GLY 414 HA2 -0.27 0.19 1.02 -0.51 4.01 4.44 2vr3A1 GLY 414 HA3 -1.16 -0.03 0.32 -0.51 4.01 2.63 2vr3A1 ASN 415 H -0.05 0.70 0.37 -0.55 8.53 9.00 2vr3A1 ASN 415 HA -0.01 0.29 0.97 -0.75 4.76 5.25 2vr3A1 ASN 415 HB2 -0.02 -0.01 -0.02 -0.04 2.88 2.79 2vr3A1 ASN 415 HB3 -0.01 0.03 0.15 -0.04 2.79 2.93 2vr3A1 ASN 415 HD21 0.02 -0.06 -0.21 -0.04 7.03 6.74 2vr3A1 ASN 415 HD22 -0.02 0.02 -0.26 -0.04 7.74 7.45 2vr3A1 LEU 416 H 0.01 0.20 0.22 -0.55 8.37 8.25 2vr3A1 LEU 416 HA -0.00 0.17 0.84 -0.75 4.35 4.60 2vr3A1 LEU 416 HB2 0.00 -0.04 0.03 -0.04 1.64 1.59 2vr3A1 LEU 416 HB3 -0.00 -0.03 0.13 -0.04 1.64 1.69 2vr3A1 LEU 416 HG 0.03 0.13 0.09 -0.04 1.64 1.85 2vr3A1 LEU 416 HD13 0.02 0.00 0.00 -0.04 0.93 0.91 2vr3A1 LEU 416 HD23 0.03 -0.00 -0.11 -0.04 0.89 0.77 2vr3A1 LYS 417 H -0.03 0.47 0.04 -0.55 8.42 8.35 2vr3A1 LYS 417 HA -0.03 0.15 0.58 -0.75 4.32 4.26 2vr3A1 LYS 417 HB2 -0.05 0.03 -0.38 -0.04 1.87 1.43 2vr3A1 LYS 417 HB3 -0.05 -0.07 -0.15 -0.04 1.79 1.48 2vr3A1 LYS 417 HG2 -0.05 0.16 -0.32 -0.04 1.46 1.21 2vr3A1 LYS 417 HG3 -0.06 -0.00 -0.10 -0.04 1.46 1.26 2vr3A1 LYS 417 HD2 -0.10 -0.02 -0.10 -0.04 1.69 1.43 2vr3A1 LYS 417 HD3 -0.07 -0.06 -0.12 -0.04 1.68 1.39 2vr3A1 LYS 417 HE2 -0.09 -0.02 -0.08 -0.04 2.99 2.76 2vr3A1 LYS 417 HE3 -0.06 0.02 -0.10 -0.04 2.99 2.81 2vr3A1 PRO 418 HA -0.01 -0.02 0.15 -0.51 4.44 4.04 2vr3A1 PRO 418 HB2 -0.02 0.04 -0.02 -0.04 2.28 2.23 2vr3A1 PRO 418 HB3 -0.01 0.01 0.06 -0.04 2.02 2.03 2vr3A1 PRO 418 HG2 -0.02 0.03 0.03 -0.04 2.03 2.03 2vr3A1 PRO 418 HG3 -0.01 0.07 0.03 -0.04 2.03 2.08 2vr3A1 PRO 418 HD2 -0.04 0.09 0.09 -0.04 3.68 3.78 2vr3A1 PRO 418 HD3 -0.03 0.19 0.20 -0.04 3.65 3.97 2vr3A1 ASN 419 H -0.01 0.09 0.16 -0.55 8.53 8.23 2vr3A1 ASN 419 HA -0.01 -0.04 0.36 -0.75 4.76 4.31 2vr3A1 ASN 419 HB2 -0.02 0.16 -0.25 -0.04 2.88 2.73 2vr3A1 ASN 419 HB3 -0.02 0.02 0.17 -0.04 2.79 2.92 2vr3A1 ASN 419 HD21 -0.01 0.00 -0.04 -0.04 7.03 6.94 2vr3A1 ASN 419 HD22 -0.02 0.05 -0.10 -0.04 7.74 7.63 2vr3A1 THR 420 H -0.02 0.08 -0.08 -0.55 8.28 7.72 2vr3A1 THR 420 HA -0.02 0.26 0.88 -0.75 4.39 4.75 2vr3A1 THR 420 HB -0.03 -0.07 0.07 -0.04 4.32 4.25 2vr3A1 THR 420 HG23 -0.04 0.06 -0.16 -0.04 1.22 1.04 2vr3A1 ASP 421 H -0.01 -0.01 -0.02 -0.55 8.40 7.81 2vr3A1 ASP 421 HA -0.00 0.02 0.27 -0.75 4.63 4.16 2vr3A1 ASP 421 HB2 -0.00 0.20 0.03 -0.04 2.71 2.90 2vr3A1 ASP 421 HB3 0.00 -0.13 0.20 -0.04 2.70 2.73 2vr3A1 SER 422 H -0.01 -0.03 -0.04 -0.55 8.46 7.84 2vr3A1 SER 422 HA -0.02 0.19 0.15 -0.75 4.49 4.06 2vr3A1 SER 422 HB2 -0.02 0.03 0.22 -0.04 3.95 4.14 2vr3A1 SER 422 HB3 -0.01 -0.00 0.10 -0.04 3.93 3.98 2vr3A1 ASN 423 H -0.02 0.33 0.16 -0.55 8.53 8.46 2vr3A1 ASN 423 HA 0.01 0.16 0.50 -0.75 4.76 4.69 2vr3A1 ASN 423 HB2 0.02 0.08 0.12 -0.04 2.88 3.07 2vr3A1 ASN 423 HB3 0.02 0.17 -0.22 -0.04 2.79 2.71 2vr3A1 ASN 423 HD21 0.05 -0.11 -0.17 -0.04 7.03 6.75 2vr3A1 ASN 423 HD22 0.03 0.22 -0.09 -0.04 7.74 7.86 2vr3A1 ALA 424 H -0.04 -0.07 -0.01 -0.55 8.40 7.73 2vr3A1 ALA 424 HA 0.07 0.20 0.73 -0.75 4.34 4.58 2vr3A1 ALA 424 HB3 -0.03 -0.00 -0.09 -0.04 1.41 1.24 2vr3A1 LEU 425 H 0.20 0.57 0.12 -0.55 8.37 8.71 2vr3A1 LEU 425 HA 0.06 0.09 0.68 -0.75 4.35 4.42 2vr3A1 LEU 425 HB2 0.12 0.09 -0.03 -0.04 1.64 1.78 2vr3A1 LEU 425 HB3 0.04 -0.08 -0.02 -0.04 1.64 1.53 2vr3A1 LEU 425 HG 0.06 0.08 -0.35 -0.04 1.64 1.39 2vr3A1 LEU 425 HD13 0.03 0.00 -0.14 -0.04 0.93 0.78 2vr3A1 LEU 425 HD23 0.03 0.02 -0.06 -0.04 0.89 0.84 2vr3A1 ILE 426 H 0.08 0.21 -0.04 -0.55 8.25 7.96 2vr3A1 ILE 426 HA 0.15 0.18 0.84 -0.75 4.18 4.60 2vr3A1 ILE 426 HB 0.16 0.02 -0.19 -0.04 1.89 1.84 2vr3A1 ILE 426 HG12 0.31 0.05 -0.26 -0.04 1.49 1.55 2vr3A1 ILE 426 HG13 0.18 -0.12 -0.64 -0.04 1.21 0.59 2vr3A1 ILE 426 HG23 0.39 0.03 -0.40 -0.04 0.93 0.91 2vr3A1 ILE 426 HD13 0.20 0.02 -0.31 -0.04 0.88 0.74 2vr3A1 ASP 427 H -0.13 0.30 0.00 -0.55 8.40 8.03 2vr3A1 ASP 427 HA -0.44 0.22 0.50 -0.75 4.63 4.16 2vr3A1 ASP 427 HB2 -0.19 -0.06 0.16 -0.04 2.71 2.58 2vr3A1 ASP 427 HB3 -0.08 0.13 -0.15 -0.04 2.70 2.56 2vr3A1 GLN 428 H -0.49 0.17 0.16 -0.55 8.47 7.76 2vr3A1 GLN 428 HA -0.78 0.17 0.36 -0.75 4.36 3.36 2vr3A1 GLN 428 HB2 -0.15 0.00 0.18 -0.04 2.15 2.14 2vr3A1 GLN 428 HB3 -0.14 -0.02 0.12 -0.04 2.02 1.94 2vr3A1 GLN 428 HG2 0.02 -0.00 0.05 -0.04 2.40 2.43 2vr3A1 GLN 428 HG3 -0.04 0.02 -0.03 -0.04 2.39 2.30 2vr3A1 GLN 429 H -0.21 -0.01 -0.16 -0.55 8.47 7.56 2vr3A1 GLN 429 HA -0.11 0.22 0.50 -0.75 4.36 4.23 2vr3A1 ASN 430 H -0.18 -0.06 -0.27 -0.55 8.53 7.48 2vr3A1 ASN 430 HA -0.22 0.28 0.93 -0.75 4.76 5.00 2vr3A1 ASN 430 HB2 -0.05 -0.14 -0.06 -0.04 2.88 2.58 2vr3A1 ASN 430 HB3 0.06 0.03 0.17 -0.04 2.79 3.01 2vr3A1 ASN 430 HD21 -0.10 0.03 -0.10 -0.04 7.03 6.82 2vr3A1 ASN 430 HD22 -0.08 -0.10 -0.14 -0.04 7.74 7.38 2vr3A1 THR 431 H -0.13 0.33 -0.17 -0.55 8.28 7.76 2vr3A1 THR 431 HA 0.03 0.32 1.12 -0.75 4.39 5.10 2vr3A1 THR 431 HB 0.03 0.11 0.05 -0.04 4.32 4.47 2vr3A1 THR 431 HG23 0.15 -0.02 -0.28 -0.04 1.22 1.02 2vr3A1 SER 432 H -0.02 0.71 0.29 -0.55 8.46 8.89 2vr3A1 SER 432 HA 0.03 0.17 1.05 -0.75 4.49 4.99 2vr3A1 SER 432 HB2 -0.00 0.02 0.09 -0.04 3.95 4.01 2vr3A1 SER 432 HB3 -0.00 0.05 0.08 -0.04 3.93 4.02 2vr3A1 ILE 433 H -0.04 0.21 0.14 -0.55 8.25 8.01 2vr3A1 ILE 433 HA -0.12 0.28 1.01 -0.75 4.18 4.60 2vr3A1 ILE 433 HB -0.18 -0.01 0.03 -0.04 1.89 1.68 2vr3A1 ILE 433 HG12 -0.43 0.02 -0.18 -0.04 1.49 0.86 2vr3A1 ILE 433 HG13 -0.18 -0.09 -0.46 -0.04 1.21 0.44 2vr3A1 ILE 433 HG23 -0.23 -0.00 -0.21 -0.04 0.93 0.44 2vr3A1 ILE 433 HD13 -0.82 -0.00 -0.17 -0.04 0.88 -0.16 2vr3A1 LYS 434 H -0.09 0.72 0.38 -0.55 8.42 8.88 2vr3A1 LYS 434 HA -0.18 0.10 0.71 -0.75 4.32 4.20 2vr3A1 LYS 434 HB2 -0.05 0.03 0.12 -0.04 1.87 1.92 2vr3A1 LYS 434 HB3 -0.45 -0.03 0.01 -0.04 1.79 1.28 2vr3A1 VAL 435 H -0.28 0.11 0.13 -0.55 8.24 7.65 2vr3A1 VAL 435 HA -0.10 0.38 0.85 -0.75 4.13 4.51 2vr3A1 VAL 435 HB 0.03 0.07 0.04 -0.04 2.12 2.22 2vr3A1 VAL 435 HG13 -0.17 -0.00 -0.32 -0.04 0.97 0.44 2vr3A1 VAL 435 HG23 0.08 0.00 -0.30 -0.04 0.95 0.69 2vr3A1 TYR 436 H 0.19 0.77 0.31 -0.55 8.29 9.01 2vr3A1 TYR 436 HA 0.05 0.09 0.91 -0.75 4.56 4.86 2vr3A1 TYR 436 HB2 0.01 -0.09 0.02 -0.04 3.06 2.96 2vr3A1 TYR 436 HB3 -0.01 0.23 -0.09 -0.04 2.98 3.07 2vr3A1 TYR 436 HD2 0.01 0.08 -0.30 -0.04 7.15 6.90 2vr3A1 TYR 436 HE2 -0.01 -0.01 -0.12 -0.04 6.85 6.68 2vr3A1 LYS 437 H 0.11 0.68 0.29 -0.55 8.42 8.95 2vr3A1 LYS 437 HA -0.38 0.12 0.89 -0.75 4.32 4.20 2vr3A1 LYS 437 HB2 0.04 -0.05 0.11 -0.04 1.87 1.93 2vr3A1 LYS 437 HB3 -0.04 0.01 0.09 -0.04 1.79 1.82 2vr3A1 LYS 437 HG2 -0.21 0.02 -0.18 -0.04 1.46 1.05 2vr3A1 LYS 437 HG3 -0.60 0.04 0.06 -0.04 1.46 0.92 2vr3A1 LYS 437 HD2 0.07 -0.02 -0.00 -0.04 1.69 1.70 2vr3A1 LYS 437 HD3 -0.01 -0.02 -0.03 -0.04 1.68 1.58 2vr3A1 LYS 437 HE2 -0.06 0.01 -0.04 -0.04 2.99 2.86 2vr3A1 LYS 437 HE3 -0.07 -0.01 0.00 -0.04 2.99 2.87 2vr3A1 VAL 438 H -0.37 0.61 0.13 -0.55 8.24 8.05 2vr3A1 VAL 438 HA -0.12 0.21 0.99 -0.75 4.13 4.45 2vr3A1 VAL 438 HB -0.21 0.04 -0.11 -0.04 2.12 1.80 2vr3A1 VAL 438 HG13 -0.16 -0.05 -0.42 -0.04 0.97 0.30 2vr3A1 VAL 438 HG23 -0.19 0.01 -0.37 -0.04 0.95 0.36 2vr3A1 ASP 439 H -0.09 0.18 0.04 -0.55 8.40 7.98 2vr3A1 ASP 439 HA -0.09 0.10 0.48 -0.75 4.63 4.37 2vr3A1 ASN 440 H -0.08 0.15 -0.01 -0.55 8.53 8.04 2vr3A1 ASN 440 HA -0.07 0.27 0.97 -0.75 4.76 5.17 2vr3A1 ALA 441 H -0.08 0.29 0.10 -0.55 8.40 8.15 2vr3A1 ALA 441 HA -0.16 0.08 0.38 -0.75 4.34 3.88 2vr3A1 ALA 441 HB3 -0.07 0.04 0.10 -0.04 1.41 1.44 2vr3A1 ALA 442 H -0.05 -0.00 -0.47 -0.55 8.40 7.33 2vr3A1 ALA 442 HA -0.02 0.08 0.23 -0.75 4.34 3.88 2vr3A1 ALA 442 HB3 -0.02 -0.01 0.02 -0.04 1.41 1.36 2vr3A1 ASP 443 H -0.07 0.55 -0.34 -0.55 8.40 7.99 2vr3A1 ASP 443 HA -0.04 0.06 0.51 -0.75 4.63 4.41 2vr3A1 ASP 443 HB2 -0.09 0.08 0.00 -0.04 2.71 2.66 2vr3A1 ASP 443 HB3 -0.06 -0.02 0.10 -0.04 2.70 2.67 2vr3A1 LEU 444 H -0.12 0.56 -0.21 -0.55 8.37 8.05 2vr3A1 LEU 444 HA -0.15 0.05 0.84 -0.75 4.35 4.34 2vr3A1 LEU 444 HB2 -0.23 0.08 0.05 -0.04 1.64 1.49 2vr3A1 LEU 444 HB3 -0.56 0.03 -0.05 -0.04 1.64 1.02 2vr3A1 LEU 444 HG -0.30 0.04 0.04 -0.04 1.64 1.39 2vr3A1 LEU 444 HD13 -0.92 -0.02 -0.04 -0.04 0.93 -0.09 2vr3A1 LEU 444 HD23 -0.42 -0.02 -0.17 -0.04 0.89 0.24 2vr3A1 SER 445 H 0.02 0.15 0.13 -0.55 8.46 8.22 2vr3A1 SER 445 HA 0.07 0.09 0.55 -0.75 4.49 4.45 2vr3A1 SER 445 HB2 0.09 0.13 0.17 -0.04 3.95 4.30 2vr3A1 SER 445 HB3 0.10 -0.21 0.19 -0.04 3.93 3.97 2vr3A1 GLU 446 H 0.09 0.28 0.28 -0.55 8.60 8.71 2vr3A1 GLU 446 HA 0.19 0.12 0.70 -0.75 4.29 4.55 2vr3A1 GLU 446 HB2 0.25 0.10 0.30 -0.04 2.09 2.69 2vr3A1 GLU 446 HB3 0.33 -0.05 0.04 -0.04 1.99 2.27 2vr3A1 GLU 446 HG2 0.17 0.06 0.08 -0.04 2.34 2.61 2vr3A1 GLU 446 HG3 0.13 0.07 0.12 -0.04 2.34 2.62 2vr3A1 SER 447 H -0.06 0.32 0.13 -0.55 8.46 8.31 2vr3A1 SER 447 HA -1.08 0.10 0.46 -0.75 4.49 3.22 2vr3A1 SER 447 HB2 -0.12 -0.08 0.12 -0.04 3.95 3.82 2vr3A1 SER 447 HB3 -0.18 0.23 0.19 -0.04 3.93 4.13 2vr3A1 TYR 448 H 0.05 0.04 -0.43 -0.55 8.29 7.40 2vr3A1 TYR 448 HA -0.05 0.06 0.11 -0.75 4.56 3.93 2vr3A1 TYR 448 HB2 -0.14 0.41 -0.06 -0.04 3.06 3.24 2vr3A1 TYR 448 HB3 -0.19 -0.11 0.05 -0.04 2.98 2.69 2vr3A1 TYR 448 HD2 -0.33 0.05 -0.42 -0.04 7.15 6.41 2vr3A1 TYR 448 HE2 -0.44 0.00 -0.12 -0.04 6.85 6.26 2vr3A1 PHE 449 H 0.22 0.02 -0.56 -0.55 8.34 7.46 2vr3A1 PHE 449 HA 0.03 0.06 0.52 -0.75 4.62 4.47 2vr3A1 PHE 449 HB2 0.03 -0.06 -0.31 -0.04 3.15 2.78 2vr3A1 PHE 449 HB3 0.02 0.02 -0.10 -0.04 3.06 2.96 2vr3A1 PHE 449 HD2 0.02 -0.02 -0.18 -0.04 7.28 7.05 2vr3A1 PHE 449 HE2 0.00 -0.01 -0.12 -0.04 7.38 7.21 2vr3A1 PHE 449 HZ -0.00 -0.02 -0.11 -0.04 7.32 7.15 2vr3A1 VAL 450 H -0.63 0.23 0.07 -0.55 8.24 7.36 2vr3A1 VAL 450 HA -0.28 0.16 0.79 -0.75 4.13 4.05 2vr3A1 VAL 450 HB -0.18 -0.02 -0.02 -0.04 2.12 1.86 2vr3A1 VAL 450 HG13 -0.23 -0.02 -0.32 -0.04 0.97 0.37 2vr3A1 VAL 450 HG23 0.02 0.06 -0.30 -0.04 0.95 0.69 2vr3A1 ASN 451 H -0.29 0.24 0.01 -0.55 8.53 7.95 2vr3A1 ASN 451 HA -0.30 0.21 0.86 -0.75 4.76 4.78 2vr3A1 PRO 452 HA -0.58 0.13 0.09 -0.51 4.44 3.57 2vr3A1 PRO 452 HB2 -0.21 0.01 0.01 -0.04 2.28 2.06 2vr3A1 PRO 452 HB3 -0.47 0.02 -0.05 -0.04 2.02 1.48 2vr3A1 PRO 452 HG2 -0.09 0.02 0.01 -0.04 2.03 1.94 2vr3A1 PRO 452 HG3 -0.09 0.04 -0.01 -0.04 2.03 1.93 2vr3A1 PRO 452 HD2 -0.15 0.09 0.10 -0.04 3.68 3.68 2vr3A1 PRO 452 HD3 -0.23 0.25 -0.07 -0.04 3.65 3.56 2vr3A1 GLU 456 HA 0.06 -0.09 0.36 -0.75 4.29 3.86 2vr3A1 ASP 457 H 0.12 0.11 0.07 -0.55 8.40 8.16 2vr3A1 ASP 457 HA -0.03 0.09 0.49 -0.75 4.63 4.42 2vr3A1 ASP 457 HB2 0.20 0.07 0.06 -0.04 2.71 2.99 2vr3A1 ASP 457 HB3 0.06 -0.00 0.20 -0.04 2.70 2.92 2vr3A1 VAL 458 H -0.08 0.85 0.50 -0.55 8.24 8.96 2vr3A1 VAL 458 HA 0.01 0.19 1.01 -0.75 4.13 4.59 2vr3A1 VAL 458 HB 0.08 -0.05 0.13 -0.04 2.12 2.24 2vr3A1 VAL 458 HG13 0.09 0.05 -0.16 -0.04 0.97 0.91 2vr3A1 VAL 458 HG23 0.21 -0.01 -0.19 -0.04 0.95 0.92 2vr3A1 THR 459 H -0.12 0.13 -0.02 -0.55 8.28 7.72 2vr3A1 THR 459 HA -0.12 0.04 0.38 -0.75 4.39 3.93 2vr3A1 THR 459 HB -0.09 -0.01 0.15 -0.04 4.32 4.33 2vr3A1 THR 459 HG23 -0.09 0.04 0.02 -0.04 1.22 1.14 2vr3A1 ASN 460 H -0.04 0.07 -0.17 -0.55 8.53 7.84 2vr3A1 ASN 460 HA -0.04 0.15 0.36 -0.75 4.76 4.48 2vr3A1 ASN 460 HB2 -0.02 -0.00 0.05 -0.04 2.88 2.87 2vr3A1 ASN 460 HB3 -0.02 0.03 0.09 -0.04 2.79 2.85 2vr3A1 ASN 460 HD21 -0.02 0.00 0.02 -0.04 7.03 7.00 2vr3A1 ASN 460 HD22 -0.01 0.02 0.02 -0.04 7.74 7.73 2vr3A1 SER 461 H -0.02 0.21 -0.47 -0.55 8.46 7.63 2vr3A1 SER 461 HA -0.00 0.07 0.53 -0.75 4.49 4.33 2vr3A1 SER 461 HB2 0.03 -0.05 0.13 -0.04 3.95 4.03 2vr3A1 SER 461 HB3 0.02 -0.10 0.07 -0.04 3.93 3.88 2vr3A1 VAL 462 H -0.06 0.42 -0.27 -0.55 8.24 7.78 2vr3A1 VAL 462 HA -0.08 0.22 1.06 -0.75 4.13 4.58 2vr3A1 ASN 463 H -0.12 0.72 0.31 -0.55 8.53 8.88 2vr3A1 ASN 463 HA -0.07 0.16 0.86 -0.75 4.76 4.95 2vr3A1 ASN 463 HB2 -0.04 0.03 -0.01 -0.04 2.88 2.82 2vr3A1 ASN 463 HB3 -0.06 -0.03 0.21 -0.04 2.79 2.87 2vr3A1 ASN 463 HD21 -0.03 -0.03 -0.10 -0.04 7.03 6.82 2vr3A1 ASN 463 HD22 -0.03 -0.01 -0.03 -0.04 7.74 7.62 2vr3A1 ILE 464 H -0.10 0.24 0.22 -0.55 8.25 8.06 2vr3A1 ILE 464 HA -0.17 0.34 0.92 -0.75 4.18 4.52 2vr3A1 ILE 464 HB -0.11 -0.00 0.18 -0.04 1.89 1.91 2vr3A1 ILE 464 HG12 -0.20 -0.02 -0.09 -0.04 1.49 1.14 2vr3A1 ILE 464 HG13 -0.17 -0.06 -0.26 -0.04 1.21 0.68 2vr3A1 ILE 464 HG23 -0.28 -0.01 -0.11 -0.04 0.93 0.48 2vr3A1 ILE 464 HD13 -0.13 -0.00 -0.04 -0.04 0.88 0.67 2vr3A1 THR 465 H -0.23 0.52 0.43 -0.55 8.28 8.45 2vr3A1 THR 465 HA -0.14 0.19 0.98 -0.75 4.39 4.66 2vr3A1 THR 465 HB -0.04 -0.04 -0.05 -0.04 4.32 4.15 2vr3A1 THR 465 HG23 -0.04 0.01 -0.19 -0.04 1.22 0.96 2vr3A1 PHE 466 H 0.08 0.16 0.07 -0.55 8.34 8.11 2vr3A1 PHE 466 HA 0.06 0.37 1.03 -0.75 4.62 5.33 2vr3A1 PHE 466 HB2 0.02 -0.05 0.20 -0.04 3.15 3.28 2vr3A1 PHE 466 HB3 0.04 0.02 0.18 -0.04 3.06 3.26 2vr3A1 PHE 466 HD2 0.06 0.14 -0.12 -0.04 7.28 7.32 2vr3A1 PHE 466 HE2 0.07 0.02 -0.17 -0.04 7.38 7.25 2vr3A1 PHE 466 HZ -0.02 0.11 -0.15 -0.04 7.32 7.22 2vr3A1 PRO 467 HA 0.04 0.05 0.28 -0.51 4.44 4.30 2vr3A1 PRO 467 HB2 0.00 0.02 -0.09 -0.04 2.28 2.17 2vr3A1 PRO 467 HB3 -0.01 -0.02 -0.04 -0.04 2.02 1.92 2vr3A1 PRO 467 HG2 0.01 0.05 -0.16 -0.04 2.03 1.89 2vr3A1 PRO 467 HG3 -0.02 0.02 -0.17 -0.04 2.03 1.82 2vr3A1 PRO 467 HD2 0.03 0.35 -0.06 -0.04 3.68 3.96 2vr3A1 PRO 467 HD3 -0.05 0.11 -0.56 -0.04 3.65 3.11 2vr3A1 ASN 468 H 0.08 0.36 -0.10 -0.55 8.53 8.32 2vr3A1 ASN 468 HA 0.04 0.15 0.73 -0.75 4.76 4.92 2vr3A1 ASN 468 HB2 0.03 -0.04 -0.14 -0.04 2.88 2.69 2vr3A1 ASN 468 HB3 0.03 0.06 -0.03 -0.04 2.79 2.80 2vr3A1 ASN 468 HD21 0.00 -0.02 -0.13 -0.04 7.03 6.84 2vr3A1 ASN 468 HD22 0.01 -0.02 -0.19 -0.04 7.74 7.50 2vr3A1 PRO 469 HA 0.04 -0.02 0.39 -0.51 4.44 4.35 2vr3A1 PRO 469 HB2 0.02 0.03 0.07 -0.04 2.28 2.36 2vr3A1 PRO 469 HB3 0.02 0.01 0.09 -0.04 2.02 2.10 2vr3A1 PRO 469 HG2 0.02 0.03 0.09 -0.04 2.03 2.13 2vr3A1 PRO 469 HG3 0.02 0.04 0.10 -0.04 2.03 2.14 2vr3A1 PRO 469 HD2 0.02 0.11 0.17 -0.04 3.68 3.94 2vr3A1 PRO 469 HD3 0.03 0.16 0.20 -0.04 3.65 4.00 2vr3A1 ASN 470 H 0.06 0.09 0.25 -0.55 8.53 8.38 2vr3A1 ASN 470 HA 0.09 0.18 0.47 -0.75 4.76 4.75 2vr3A1 ASN 470 HB2 0.04 0.08 -0.18 -0.04 2.88 2.78 2vr3A1 ASN 470 HB3 0.06 -0.05 0.21 -0.04 2.79 2.97 2vr3A1 ASN 470 HD21 0.02 0.02 0.00 -0.04 7.03 7.03 2vr3A1 ASN 470 HD22 0.03 -0.01 -0.07 -0.04 7.74 7.65 2vr3A1 GLN 471 H 0.15 0.38 -0.00 -0.55 8.47 8.45 2vr3A1 GLN 471 HA 0.03 0.36 1.02 -0.75 4.36 5.02 2vr3A1 GLN 471 HB2 0.04 0.04 -0.32 -0.04 2.15 1.87 2vr3A1 GLN 471 HB3 0.04 -0.16 -0.08 -0.04 2.02 1.78 2vr3A1 GLN 471 HG2 -0.08 0.11 0.05 -0.04 2.40 2.44 2vr3A1 GLN 471 HG3 -0.02 -0.05 -0.04 -0.04 2.39 2.24 2vr3A1 GLN 471 HE21 0.02 -0.04 -0.10 -0.04 6.97 6.81 2vr3A1 GLN 471 HE22 0.01 -0.02 -0.12 -0.04 7.69 7.52 2vr3A1 TYR 472 H -0.16 0.43 0.34 -0.55 8.29 8.35 2vr3A1 TYR 472 HA -0.24 0.29 0.97 -0.75 4.56 4.83 2vr3A1 TYR 472 HB2 -0.47 0.04 0.04 -0.04 3.06 2.64 2vr3A1 TYR 472 HB3 0.24 -0.05 -0.11 -0.04 2.98 3.02 2vr3A1 TYR 472 HD2 0.02 0.04 -0.32 -0.04 7.15 6.85 2vr3A1 TYR 472 HE2 0.05 0.01 -0.23 -0.04 6.85 6.64 2vr3A1 LYS 473 H -0.13 0.55 0.41 -0.55 8.42 8.69 2vr3A1 LYS 473 HA -0.02 0.27 1.05 -0.75 4.32 4.87 2vr3A1 LYS 473 HB2 -0.04 -0.02 -0.09 -0.04 1.87 1.68 2vr3A1 LYS 473 HB3 -0.07 -0.09 0.08 -0.04 1.79 1.67 2vr3A1 LYS 473 HG2 -0.03 -0.02 -0.24 -0.04 1.46 1.14 2vr3A1 LYS 473 HG3 0.00 0.12 0.01 -0.04 1.46 1.55 2vr3A1 LYS 473 HD2 -0.02 -0.00 -0.10 -0.04 1.69 1.53 2vr3A1 LYS 473 HD3 -0.03 -0.02 -0.09 -0.04 1.68 1.50 2vr3A1 LYS 473 HE2 -0.03 -0.04 -0.09 -0.04 2.99 2.79 2vr3A1 LYS 473 HE3 -0.03 0.02 -0.10 -0.04 2.99 2.84 2vr3A1 VAL 474 H 0.02 0.81 0.35 -0.55 8.24 8.87 2vr3A1 VAL 474 HA -0.17 0.24 1.05 -0.75 4.13 4.49 2vr3A1 VAL 474 HB -0.13 -0.04 0.08 -0.04 2.12 1.98 2vr3A1 VAL 474 HG13 -0.81 -0.01 -0.30 -0.04 0.97 -0.18 2vr3A1 VAL 474 HG23 -0.08 -0.01 -0.24 -0.04 0.95 0.58 2vr3A1 GLU 475 H -0.18 0.65 0.21 -0.55 8.60 8.74 2vr3A1 GLU 475 HA -0.02 0.19 1.05 -0.75 4.29 4.76 2vr3A1 GLU 475 HB2 -0.06 0.01 0.23 -0.04 2.09 2.23 2vr3A1 GLU 475 HB3 0.00 0.07 0.04 -0.04 1.99 2.07 2vr3A1 PHE 476 H 0.24 0.28 0.06 -0.55 8.34 8.36 2vr3A1 PHE 476 HA -0.12 0.13 0.20 -0.75 4.62 4.07 2vr3A1 PHE 476 HB2 -0.11 0.06 0.04 -0.04 3.15 3.09 2vr3A1 PHE 476 HB3 -0.27 0.02 0.01 -0.04 3.06 2.79 2vr3A1 PHE 476 HD2 -0.44 0.15 -0.11 -0.04 7.28 6.84 2vr3A1 PHE 476 HE2 -0.17 -0.04 -0.18 -0.04 7.38 6.95 2vr3A1 PHE 476 HZ -0.04 -0.03 -0.13 -0.04 7.32 7.08 2vr3A1 PRO 479 HA 0.02 0.01 0.30 -0.51 4.44 4.26 2vr3A1 PRO 479 HB2 0.03 -0.02 -0.02 -0.04 2.28 2.22 2vr3A1 PRO 479 HB3 0.02 0.01 0.06 -0.04 2.02 2.07 2vr3A1 PRO 479 HG2 0.04 0.01 0.08 -0.04 2.03 2.12 2vr3A1 PRO 479 HG3 0.03 0.04 0.08 -0.04 2.03 2.14 2vr3A1 PRO 479 HD2 0.05 -0.03 0.23 -0.04 3.68 3.90 2vr3A1 PRO 479 HD3 0.05 0.08 0.27 -0.04 3.65 4.01 2vr3A1 ASP 480 H 0.04 0.14 0.18 -0.55 8.40 8.22 2vr3A1 ASP 480 HA 0.02 0.25 0.84 -0.75 4.63 4.99 2vr3A1 ASP 481 H 0.05 0.16 0.02 -0.55 8.40 8.08 2vr3A1 ASP 481 HA 0.07 0.08 0.22 -0.75 4.63 4.24 2vr3A1 ASP 481 HB2 0.05 -0.01 -0.30 -0.04 2.71 2.41 2vr3A1 ASP 481 HB3 0.05 0.19 0.12 -0.04 2.70 3.02 2vr3A1 GLN 482 H 0.05 0.00 -0.21 -0.55 8.47 7.76 2vr3A1 GLN 482 HA 0.05 0.37 1.12 -0.75 4.36 5.15 2vr3A1 ILE 483 H 0.01 0.57 0.40 -0.55 8.25 8.67 2vr3A1 ILE 483 HA 0.07 0.13 0.73 -0.75 4.18 4.36 2vr3A1 ILE 483 HB 0.18 0.04 0.13 -0.04 1.89 2.20 2vr3A1 ILE 483 HG12 -0.17 -0.00 0.03 -0.04 1.49 1.31 2vr3A1 ILE 483 HG13 -0.05 -0.13 0.15 -0.04 1.21 1.14 2vr3A1 ILE 483 HG23 -0.16 -0.00 -0.07 -0.04 0.93 0.65 2vr3A1 ILE 483 HD13 -0.22 0.04 -0.09 -0.04 0.88 0.57 2vr3A1 THR 484 H 0.04 0.08 0.17 -0.55 8.28 8.02 2vr3A1 THR 484 HA -0.00 0.38 0.91 -0.75 4.39 4.92 2vr3A1 THR 484 HB -0.01 0.04 0.13 -0.04 4.32 4.44 2vr3A1 THR 484 HG23 0.01 -0.03 -0.18 -0.04 1.22 0.98 2vr3A1 THR 485 H -0.00 -0.02 0.16 -0.55 8.28 7.87 2vr3A1 THR 485 HA -0.09 0.21 0.83 -0.75 4.39 4.59 2vr3A1 THR 485 HB -0.17 0.23 0.26 -0.04 4.32 4.61 2vr3A1 THR 485 HG23 -0.08 -0.04 -0.13 -0.04 1.22 0.93 2vr3A1 PRO 486 HA -0.08 0.29 0.67 -0.51 4.44 4.81 2vr3A1 PRO 486 HB2 -0.22 -0.07 -0.16 -0.04 2.28 1.79 2vr3A1 PRO 486 HB3 -0.19 -0.02 -0.12 -0.04 2.02 1.65 2vr3A1 PRO 486 HG2 -0.18 -0.09 -0.06 -0.04 2.03 1.65 2vr3A1 PRO 486 HG3 -0.16 0.12 0.08 -0.04 2.03 2.03 2vr3A1 PRO 486 HD2 -0.17 0.26 0.13 -0.04 3.68 3.86 2vr3A1 PRO 486 HD3 -0.12 0.10 0.20 -0.04 3.65 3.79 2vr3A1 TYR 487 H 0.08 0.62 0.29 -0.55 8.29 8.73 2vr3A1 TYR 487 HA 0.03 0.19 0.77 -0.75 4.56 4.79 2vr3A1 TYR 487 HB2 0.05 -0.08 0.04 -0.04 3.06 3.03 2vr3A1 TYR 487 HB3 0.21 -0.00 -0.03 -0.04 2.98 3.12 2vr3A1 TYR 487 HD2 -0.02 0.05 -0.26 -0.04 7.15 6.89 2vr3A1 TYR 487 HE2 -0.01 -0.08 -0.04 -0.04 6.85 6.69 2vr3A1 ILE 488 H 0.17 0.50 0.16 -0.55 8.25 8.53 2vr3A1 ILE 488 HA 0.22 0.32 1.20 -0.75 4.18 5.17 2vr3A1 ILE 488 HB 0.27 -0.09 0.04 -0.04 1.89 2.07 2vr3A1 ILE 488 HG12 -0.09 0.03 -0.16 -0.04 1.49 1.22 2vr3A1 ILE 488 HG13 -0.02 0.02 -0.16 -0.04 1.21 1.02 2vr3A1 ILE 488 HG23 0.21 0.00 -0.19 -0.04 0.93 0.91 2vr3A1 ILE 488 HD13 -0.07 0.01 -0.12 -0.04 0.88 0.65 2vr3A1 VAL 489 H 0.21 0.77 0.27 -0.55 8.24 8.94 2vr3A1 VAL 489 HA 0.10 0.23 1.06 -0.75 4.13 4.76 2vr3A1 VAL 489 HB 0.15 -0.03 0.14 -0.04 2.12 2.34 2vr3A1 VAL 489 HG13 0.02 -0.00 -0.21 -0.04 0.97 0.74 2vr3A1 VAL 489 HG23 0.19 -0.01 -0.18 -0.04 0.95 0.91 2vr3A1 VAL 490 H 0.07 0.58 0.27 -0.55 8.24 8.61 2vr3A1 VAL 490 HA 0.08 0.26 0.98 -0.75 4.13 4.69 2vr3A1 VAL 490 HB 0.15 -0.07 0.11 -0.04 2.12 2.27 2vr3A1 VAL 490 HG13 0.04 0.00 -0.17 -0.04 0.97 0.80 2vr3A1 VAL 490 HG23 0.21 0.00 -0.18 -0.04 0.95 0.94 2vr3A1 VAL 491 H 0.02 0.54 0.31 -0.55 8.24 8.57 2vr3A1 VAL 491 HA -0.10 0.19 0.90 -0.75 4.13 4.37 2vr3A1 VAL 491 HB 0.06 -0.05 0.17 -0.04 2.12 2.27 2vr3A1 VAL 491 HG13 -0.02 -0.01 -0.27 -0.04 0.97 0.63 2vr3A1 VAL 491 HG23 -0.08 0.01 -0.21 -0.04 0.95 0.63 2vr3A1 ASN 492 H -0.08 0.88 0.34 -0.55 8.53 9.13 2vr3A1 ASN 492 HA -0.20 0.18 1.13 -0.75 4.76 5.12 2vr3A1 ASN 492 HB2 -0.06 0.02 0.25 -0.04 2.88 3.05 2vr3A1 ASN 492 HB3 -0.10 0.03 0.12 -0.04 2.79 2.80 2vr3A1 ASN 492 HD21 -0.01 -0.04 -0.14 -0.04 7.03 6.80 2vr3A1 ASN 492 HD22 -0.03 0.07 -0.11 -0.04 7.74 7.63 2vr3A1 GLY 493 H -0.67 0.58 0.29 -0.55 8.43 8.08 2vr3A1 GLY 493 HA2 -0.09 0.35 0.99 -0.51 4.01 4.75 2vr3A1 GLY 493 HA3 -0.52 -0.08 0.30 -0.51 4.01 3.20 2vr3A1 HIS 494 H 0.21 0.22 0.32 -0.55 8.41 8.62 2vr3A1 HIS 494 HA 0.06 0.22 1.18 -0.75 4.63 5.33 2vr3A1 HIS 494 HB2 0.03 -0.14 0.20 -0.04 3.26 3.31 2vr3A1 HIS 494 HB3 0.04 0.13 0.23 -0.04 3.20 3.56 2vr3A1 HIS 494 HD2 0.00 0.09 0.14 -0.04 6.97 7.15 2vr3A1 HIS 494 HE1 -0.04 -0.05 -0.05 -0.04 7.75 7.57 2vr3A1 ILE 495 H 0.16 0.67 0.13 -0.55 8.25 8.66 2vr3A1 ILE 495 HA 0.14 0.17 0.77 -0.75 4.18 4.51 2vr3A1 ILE 495 HB 0.05 -0.05 -0.20 -0.04 1.89 1.65 2vr3A1 ILE 495 HG12 0.08 -0.04 -0.18 -0.04 1.49 1.31 2vr3A1 ILE 495 HG13 0.05 0.05 -0.52 -0.04 1.21 0.75 2vr3A1 ILE 495 HG23 0.14 -0.02 -0.44 -0.04 0.93 0.57 2vr3A1 ILE 495 HD13 0.04 -0.00 -0.18 -0.04 0.88 0.69 2vr3A1 ASP 496 H 0.05 0.58 0.18 -0.55 8.40 8.66 2vr3A1 ASP 496 HA 0.04 0.19 0.78 -0.75 4.63 4.88 2vr3A1 ASP 496 HB2 0.04 0.04 -0.02 -0.04 2.71 2.73 2vr3A1 ASP 496 HB3 0.03 0.03 0.22 -0.04 2.70 2.94 2vr3A1 PRO 497 HA 0.02 0.16 0.42 -0.51 4.44 4.53 2vr3A1 PRO 497 HB2 0.01 0.03 0.06 -0.04 2.28 2.34 2vr3A1 PRO 497 HB3 0.01 0.05 0.07 -0.04 2.02 2.11 2vr3A1 PRO 497 HG2 0.01 0.00 -0.04 -0.04 2.03 1.96 2vr3A1 PRO 497 HG3 0.02 0.07 0.05 -0.04 2.03 2.13 2vr3A1 PRO 497 HD2 0.02 0.02 0.21 -0.04 3.68 3.89 2vr3A1 PRO 497 HD3 0.04 0.32 0.25 -0.04 3.65 4.21 2vr3A1 ASN 498 H 0.02 -0.01 -0.45 -0.55 8.53 7.54 2vr3A1 ASN 498 HA 0.01 0.19 0.75 -0.75 4.76 4.95 2vr3A1 ASN 498 HB2 0.01 -0.04 -0.09 -0.04 2.88 2.72 2vr3A1 ASN 498 HB3 0.01 -0.01 0.05 -0.04 2.79 2.79 2vr3A1 ASN 498 HD21 0.00 0.01 -0.03 -0.04 7.03 6.98 2vr3A1 ASN 498 HD22 0.01 -0.01 -0.02 -0.04 7.74 7.67 2vr3A1 SER 499 H 0.02 0.15 -0.30 -0.55 8.46 7.78 2vr3A1 SER 499 HA 0.01 0.01 0.64 -0.75 4.49 4.40 2vr3A1 SER 499 HB2 0.02 -0.05 0.10 -0.04 3.95 3.98 2vr3A1 SER 499 HB3 0.02 0.24 0.16 -0.04 3.93 4.31 2vr3A1 LYS 500 H 0.01 0.07 0.16 -0.55 8.42 8.10 2vr3A1 LYS 500 HA 0.01 0.19 0.48 -0.75 4.32 4.25 2vr3A1 GLY 501 H 0.01 0.10 -0.14 -0.55 8.43 7.85 2vr3A1 GLY 501 HA2 0.01 0.15 0.86 -0.51 4.01 4.52 2vr3A1 GLY 501 HA3 0.00 0.16 0.32 -0.51 4.01 3.99 2vr3A1 ASP 502 H 0.00 0.15 0.04 -0.55 8.40 8.04 2vr3A1 ASP 502 HA 0.07 0.26 0.76 -0.75 4.63 4.96 2vr3A1 ASP 502 HB2 -0.01 0.02 0.01 -0.04 2.71 2.68 2vr3A1 ASP 502 HB3 0.01 -0.04 0.07 -0.04 2.70 2.70 2vr3A1 LEU 503 H 0.05 0.18 0.06 -0.55 8.37 8.11 2vr3A1 LEU 503 HA -0.09 -0.10 0.62 -0.75 4.35 4.03 2vr3A1 LEU 503 HB2 -0.03 0.02 0.04 -0.04 1.64 1.64 2vr3A1 LEU 503 HB3 -0.05 0.02 0.10 -0.04 1.64 1.67 2vr3A1 LEU 503 HG -0.24 0.03 -0.18 -0.04 1.64 1.22 2vr3A1 LEU 503 HD13 -0.55 -0.00 -0.11 -0.04 0.93 0.23 2vr3A1 LEU 503 HD23 -0.24 0.01 -0.12 -0.04 0.89 0.50 2vr3A1 ALA 504 H -0.07 0.11 0.20 -0.55 8.40 8.10 2vr3A1 ALA 504 HA -0.07 0.36 0.89 -0.75 4.34 4.77 2vr3A1 ALA 504 HB3 -0.05 -0.01 0.03 -0.04 1.41 1.34 2vr3A1 LEU 505 H -0.05 0.69 0.31 -0.55 8.37 8.77 2vr3A1 LEU 505 HA -0.02 0.19 0.98 -0.75 4.35 4.74 2vr3A1 LEU 505 HB2 -0.00 -0.01 0.04 -0.04 1.64 1.63 2vr3A1 LEU 505 HB3 0.04 0.09 -0.06 -0.04 1.64 1.67 2vr3A1 LEU 505 HG -0.14 -0.09 -0.29 -0.04 1.64 1.08 2vr3A1 LEU 505 HD13 -0.03 0.01 -0.18 -0.04 0.93 0.69 2vr3A1 LEU 505 HD23 -0.05 0.03 -0.14 -0.04 0.89 0.69 2vr3A1 ARG 506 H -0.00 0.57 -0.08 -0.55 8.46 8.39 2vr3A1 ARG 506 HA -0.00 0.26 0.76 -0.75 4.34 4.60 2vr3A1 ARG 506 HB2 -0.04 -0.03 -0.14 -0.04 1.90 1.65 2vr3A1 ARG 506 HB3 -0.02 0.10 -0.17 -0.04 1.80 1.67 2vr3A1 ARG 506 HG2 -0.02 -0.04 -0.45 -0.04 1.67 1.12 2vr3A1 ARG 506 HG3 -0.02 -0.01 -0.20 -0.04 1.67 1.41 2vr3A1 ARG 506 HD2 -0.03 0.03 -0.09 -0.04 3.22 3.09 2vr3A1 ARG 506 HD3 -0.04 -0.03 -0.15 -0.04 3.22 2.96 2vr3A1 SER 507 H 0.09 0.54 0.23 -0.55 8.46 8.78 2vr3A1 SER 507 HA -0.01 0.27 1.18 -0.75 4.49 5.17 2vr3A1 SER 507 HB2 0.13 -0.06 0.00 -0.04 3.95 3.98 2vr3A1 SER 507 HB3 0.10 0.06 0.06 -0.04 3.93 4.11 2vr3A1 THR 508 H -0.01 0.67 0.32 -0.55 8.28 8.71 2vr3A1 THR 508 HA -0.08 0.32 1.22 -0.75 4.39 5.09 2vr3A1 THR 508 HB -0.04 -0.05 0.03 -0.04 4.32 4.23 2vr3A1 THR 508 HG23 -0.67 0.00 -0.26 -0.04 1.22 0.24 2vr3A1 LEU 509 H -0.16 0.69 0.35 -0.55 8.37 8.71 2vr3A1 LEU 509 HA -0.01 0.31 1.23 -0.75 4.35 5.14 2vr3A1 LEU 509 HB2 -0.01 -0.02 0.02 -0.04 1.64 1.59 2vr3A1 LEU 509 HB3 -0.07 -0.06 0.10 -0.04 1.64 1.57 2vr3A1 LEU 509 HG -0.09 0.03 -0.24 -0.04 1.64 1.31 2vr3A1 LEU 509 HD13 0.01 0.04 -0.03 -0.04 0.93 0.92 2vr3A1 LEU 509 HD23 -0.05 -0.04 -0.01 -0.04 0.89 0.75 2vr3A1 TYR 510 H 0.08 0.94 0.48 -0.55 8.29 9.24 2vr3A1 TYR 510 HA -0.51 0.30 1.12 -0.75 4.56 4.71 2vr3A1 TYR 510 HB2 -0.09 -0.03 0.14 -0.04 3.06 3.04 2vr3A1 TYR 510 HB3 -1.00 0.01 0.06 -0.04 2.98 2.01 2vr3A1 TYR 510 HD2 -0.14 0.09 -0.15 -0.04 7.15 6.91 2vr3A1 TYR 510 HE2 0.03 -0.03 -0.13 -0.04 6.85 6.68 2vr3A1 GLY 511 H -1.11 0.47 0.36 -0.55 8.43 7.59 2vr3A1 GLY 511 HA2 -0.21 0.24 0.42 -0.51 4.01 3.95 2vr3A1 GLY 511 HA3 -0.19 -0.01 0.24 -0.51 4.01 3.54 2vr3A1 TYR 512 H 0.21 0.71 0.31 -0.55 8.29 8.97 2vr3A1 TYR 512 HA 0.10 0.44 1.21 -0.75 4.56 5.56 2vr3A1 TYR 512 HB2 0.14 -0.03 0.10 -0.04 3.06 3.23 2vr3A1 TYR 512 HB3 0.12 -0.04 0.04 -0.04 2.98 3.06 2vr3A1 TYR 512 HD2 0.26 0.00 -0.50 -0.04 7.15 6.87 2vr3A1 TYR 512 HE2 0.11 0.00 -0.13 -0.04 6.85 6.79 2vr3A1 ASN 513 H 0.13 0.25 0.24 -0.55 8.53 8.60 2vr3A1 ASN 513 HA 0.07 0.32 0.91 -0.75 4.76 5.31 2vr3A1 ASN 513 HB2 0.05 -0.07 0.26 -0.04 2.88 3.07 2vr3A1 ASN 513 HB3 0.03 0.03 0.15 -0.04 2.79 2.96 2vr3A1 ASN 513 HD21 -0.03 0.07 0.01 -0.04 7.03 7.04 2vr3A1 ASN 513 HD22 0.04 0.04 0.06 -0.04 7.74 7.84 2vr3A1 SER 514 H 0.04 0.18 0.18 -0.55 8.46 8.32 2vr3A1 SER 514 HA 0.03 0.16 0.41 -0.75 4.49 4.34 2vr3A1 SER 514 HB2 0.02 0.06 0.11 -0.04 3.95 4.10 2vr3A1 SER 514 HB3 0.03 0.05 0.14 -0.04 3.93 4.10 2vr3A1 ASN 515 H 0.04 -0.03 -0.34 -0.55 8.53 7.65 2vr3A1 ASN 515 HA 0.01 0.18 0.60 -0.75 4.76 4.80 2vr3A1 ASN 515 HB2 0.02 -0.10 -0.01 -0.04 2.88 2.75 2vr3A1 ASN 515 HB3 0.02 0.06 0.05 -0.04 2.79 2.89 2vr3A1 ASN 515 HD21 0.02 0.01 -0.00 -0.04 7.03 7.02 2vr3A1 ASN 515 HD22 0.02 0.01 0.00 -0.04 7.74 7.73 2vr3A1 ILE 516 H 0.04 0.47 -0.51 -0.55 8.25 7.70 2vr3A1 ILE 516 HA -0.01 0.09 0.26 -0.75 4.18 3.77 2vr3A1 ILE 517 H 0.15 -0.10 -0.14 -0.55 8.25 7.61 2vr3A1 ILE 517 HA 0.22 0.23 0.86 -0.75 4.18 4.73 2vr3A1 ILE 517 HB -0.02 -0.15 0.03 -0.04 1.89 1.71 2vr3A1 ILE 517 HG12 0.04 0.06 -0.00 -0.04 1.49 1.54 2vr3A1 ILE 517 HG13 0.04 0.12 -0.35 -0.04 1.21 0.98 2vr3A1 ILE 517 HG23 -0.03 0.02 -0.12 -0.04 0.93 0.76 2vr3A1 ILE 517 HD13 -0.04 -0.02 -0.03 -0.04 0.88 0.74 2vr3A1 TRP 518 H 0.34 0.17 0.13 -0.55 7.97 8.07 2vr3A1 TRP 518 HA -0.32 0.20 0.68 -0.75 4.62 4.43 2vr3A1 TRP 518 HB2 -0.08 0.01 0.04 -0.04 3.23 3.15 2vr3A1 TRP 518 HB3 -0.02 -0.04 0.15 -0.04 3.23 3.29 2vr3A1 TRP 518 HD1 0.02 -0.05 -0.11 -0.04 7.22 7.03 2vr3A1 TRP 518 HE1 -0.00 -0.02 -0.09 -0.04 10.20 10.04 2vr3A1 TRP 518 HE3 -1.96 -0.02 -0.20 -0.04 7.59 5.37 2vr3A1 TRP 518 HZ2 -0.21 -0.02 -0.07 -0.04 7.44 7.10 2vr3A1 TRP 518 HZ3 -0.37 0.13 -0.06 -0.04 7.13 6.79 2vr3A1 TRP 518 HH2 -0.06 0.11 -0.08 -0.04 7.19 7.12 2vr3A1 ARG 519 H -0.50 0.72 0.41 -0.55 8.46 8.53 2vr3A1 ARG 519 HA -0.11 0.16 0.59 -0.75 4.34 4.22 2vr3A1 ARG 519 HB2 -0.10 -0.00 -0.02 -0.04 1.90 1.74 2vr3A1 ARG 519 HB3 0.26 -0.00 0.15 -0.04 1.80 2.17 2vr3A1 ARG 519 HG2 -0.05 0.06 0.00 -0.04 1.67 1.63 2vr3A1 ARG 519 HG3 -0.14 -0.09 -0.75 -0.04 1.67 0.65 2vr3A1 ARG 519 HD2 -0.48 -0.08 -0.10 -0.04 3.22 2.53 2vr3A1 ARG 519 HD3 -0.67 0.03 -0.08 -0.04 3.22 2.46 2vr3A1 SER 520 H -0.02 0.19 0.19 -0.55 8.46 8.27 2vr3A1 SER 520 HA -0.40 0.44 0.95 -0.75 4.49 4.72 2vr3A1 SER 520 HB2 -0.84 0.03 -0.03 -0.04 3.95 3.07 2vr3A1 SER 520 HB3 -0.44 -0.02 -0.16 -0.04 3.93 3.28 2vr3A1 MET 521 H -0.23 0.64 0.30 -0.55 8.47 8.62 2vr3A1 MET 521 HA -0.15 0.10 0.71 -0.75 4.52 4.42 2vr3A1 MET 521 HB2 0.12 0.03 -0.03 -0.04 2.15 2.23 2vr3A1 MET 521 HB3 0.01 -0.06 0.01 -0.04 2.03 1.95 2vr3A1 MET 521 HG2 0.15 0.12 -0.16 -0.04 2.63 2.70 2vr3A1 MET 521 HG3 0.13 -0.01 -0.25 -0.04 2.56 2.39 2vr3A1 MET 521 HE3 0.23 -0.03 0.00 -0.04 2.10 2.27 2vr3A1 SER 522 H -0.10 0.15 0.09 -0.55 8.46 8.06 2vr3A1 SER 522 HA -0.00 0.36 1.19 -0.75 4.49 5.28 2vr3A1 SER 522 HB2 -0.09 -0.03 0.05 -0.04 3.95 3.84 2vr3A1 SER 522 HB3 -0.05 -0.00 -0.09 -0.04 3.93 3.75 2vr3A1 TRP 523 H 0.16 0.67 0.29 -0.55 7.97 8.54 2vr3A1 TRP 523 HA -0.04 0.14 0.95 -0.75 4.62 4.92 2vr3A1 TRP 523 HB2 -0.01 0.01 -0.18 -0.04 3.23 3.01 2vr3A1 TRP 523 HB3 -0.02 -0.06 0.06 -0.04 3.23 3.17 2vr3A1 TRP 523 HD1 -0.07 -0.04 -0.22 -0.04 7.22 6.85 2vr3A1 TRP 523 HE1 -0.14 0.23 0.19 -0.04 10.20 10.44 2vr3A1 TRP 523 HE3 0.01 0.03 0.07 -0.04 7.59 7.65 2vr3A1 TRP 523 HZ2 -0.03 0.06 0.12 -0.04 7.44 7.55 2vr3A1 TRP 523 HZ3 0.04 -0.07 0.11 -0.04 7.13 7.16 2vr3A1 TRP 523 HH2 0.03 0.11 0.10 -0.04 7.19 7.38 2vr3A1 ASP 524 H -0.53 0.14 0.14 -0.55 8.40 7.61 2vr3A1 ASP 524 HA -0.10 0.29 0.95 -0.75 4.63 5.01 2vr3A1 ASP 524 HB2 -0.31 -0.02 0.10 -0.04 2.71 2.44 2vr3A1 ASP 524 HB3 -0.17 0.01 -0.03 -0.04 2.70 2.47 2vr3A1 ASN 525 H -0.05 0.64 0.32 -0.55 8.53 8.89 2vr3A1 ASN 525 HA -0.05 0.20 0.94 -0.75 4.76 5.10 2vr3A1 ASN 525 HB2 0.03 -0.07 0.01 -0.04 2.88 2.81 2vr3A1 ASN 525 HB3 0.00 -0.00 -0.09 -0.04 2.79 2.65 2vr3A1 ASN 525 HD21 0.12 0.58 -0.37 -0.04 7.03 7.32 2vr3A1 ASN 525 HD22 0.03 -0.02 0.09 -0.04 7.74 7.80 2vr3A1 GLU 526 H -0.08 0.25 0.17 -0.55 8.60 8.39 2vr3A1 GLU 526 HA -0.09 0.30 0.97 -0.75 4.29 4.72 2vr3A1 GLU 526 HB2 -0.09 0.02 0.03 -0.04 2.09 2.01 2vr3A1 GLU 526 HB3 -0.10 0.01 0.20 -0.04 1.99 2.06 2vr3A1 GLU 526 HG2 -0.08 -0.00 -0.09 -0.04 2.34 2.13 2vr3A1 GLU 526 HG3 -0.11 -0.11 -0.45 -0.04 2.34 1.62 2vr3A1 VAL 527 H -0.15 0.27 0.24 -0.55 8.24 8.05 2vr3A1 VAL 527 HA -0.17 0.21 0.89 -0.75 4.13 4.31 2vr3A1 VAL 527 HB -0.50 -0.02 0.01 -0.04 2.12 1.57 2vr3A1 VAL 527 HG13 -0.07 0.02 -0.17 -0.04 0.97 0.71 2vr3A1 VAL 527 HG23 -0.36 0.01 -0.14 -0.04 0.95 0.42 2vr3A1 ALA 528 H -0.35 0.28 0.17 -0.55 8.40 7.95 2vr3A1 ALA 528 HA -0.34 0.12 0.83 -0.75 4.34 4.20 2vr3A1 ALA 528 HB3 -0.09 0.03 -0.04 -0.04 1.41 1.27 2vr3A1 PHE 529 H -0.18 0.16 0.16 -0.55 8.34 7.92 2vr3A1 PHE 529 HA -0.05 0.20 0.97 -0.75 4.62 4.99 2vr3A1 PHE 529 HB2 -0.02 0.01 0.04 -0.04 3.15 3.14 2vr3A1 PHE 529 HB3 -0.03 0.05 0.08 -0.04 3.06 3.13 2vr3A1 PHE 529 HD2 -0.04 0.06 -0.03 -0.04 7.28 7.23 2vr3A1 PHE 529 HE2 -0.03 0.00 -0.09 -0.04 7.38 7.22 2vr3A1 PHE 529 HZ -0.03 -0.04 -0.08 -0.04 7.32 7.14 2vr3A1 ASN 530 H 0.14 0.29 0.24 -0.55 8.53 8.66 2vr3A1 ASN 530 HA 0.01 0.15 0.91 -0.75 4.76 5.08 2vr3A1 ASN 530 HB2 -0.05 -0.01 -0.01 -0.04 2.88 2.77 2vr3A1 ASN 530 HB3 -0.19 0.05 -0.03 -0.04 2.79 2.57 2vr3A1 ASN 530 HD21 -0.62 0.04 -0.13 -0.04 7.03 6.28 2vr3A1 ASN 530 HD22 -0.93 -0.02 -0.13 -0.04 7.74 6.62 2vr3A1 ASN 531 H 0.03 0.22 0.23 -0.55 8.53 8.46 2vr3A1 ASN 531 HA 0.06 0.21 0.98 -0.75 4.76 5.26 2vr3A1 ASN 531 HB2 0.04 0.06 0.20 -0.04 2.88 3.14 2vr3A1 ASN 531 HB3 0.04 -0.02 -0.07 -0.04 2.79 2.70 2vr3A1 ASN 531 HD21 0.03 -0.09 -0.07 -0.04 7.03 6.86 2vr3A1 ASN 531 HD22 0.04 0.32 -0.00 -0.04 7.74 8.05 2vr3A1 GLY 532 H 0.06 0.14 0.25 -0.55 8.43 8.33 2vr3A1 GLY 532 HA2 0.06 0.11 0.90 -0.51 4.01 4.57 2vr3A1 GLY 532 HA3 0.08 0.16 0.57 -0.51 4.01 4.30 2vr3A1 SER 533 H 0.07 0.55 0.48 -0.55 8.46 9.01 2vr3A1 SER 533 HA 0.05 0.14 0.88 -0.75 4.49 4.81 2vr3A1 SER 533 HB2 0.02 -0.01 0.03 -0.04 3.95 3.96 2vr3A1 SER 533 HB3 0.03 0.10 -0.28 -0.04 3.93 3.74 2vr3A1 GLY 534 H 0.03 0.34 0.30 -0.55 8.43 8.55 2vr3A1 GLY 534 HA2 0.01 0.18 0.89 -0.51 4.01 4.58 2vr3A1 GLY 534 HA3 0.01 0.04 0.38 -0.51 4.01 3.93 2vr3A1 SER 535 H -0.05 0.64 0.44 -0.55 8.46 8.95 2vr3A1 SER 535 HA -0.05 0.05 0.89 -0.75 4.49 4.62 2vr3A1 SER 535 HB2 -0.04 0.13 0.24 -0.04 3.95 4.24 2vr3A1 SER 535 HB3 -0.02 0.00 0.01 -0.04 3.93 3.88 2vr3A1 GLY 536 H -0.08 0.52 0.17 -0.55 8.43 8.49 2vr3A1 GLY 536 HA2 -0.09 0.23 0.98 -0.51 4.01 4.63 2vr3A1 GLY 536 HA3 -0.07 -0.03 0.35 -0.51 4.01 3.75 2vr3A1 ASP 537 H -0.01 0.52 0.39 -0.55 8.40 8.76 2vr3A1 ASP 537 HA 0.07 0.05 0.59 -0.75 4.63 4.59 2vr3A1 GLY 538 H 0.20 0.25 0.20 -0.55 8.43 8.53 2vr3A1 GLY 538 HA2 0.06 0.32 0.43 -0.51 4.01 4.32 2vr3A1 GLY 538 HA3 0.12 -0.02 0.28 -0.51 4.01 3.88 2vr3A1 ILE 539 H -0.00 0.75 0.26 -0.55 8.25 8.71 2vr3A1 ILE 539 HA -0.00 0.13 0.83 -0.75 4.18 4.38 2vr3A1 ASP 540 H -0.03 0.08 0.12 -0.55 8.40 8.03 2vr3A1 ASP 540 HA -0.06 0.13 0.60 -0.75 4.63 4.54 2vr3A1 ASP 540 HB2 -0.02 -0.10 0.14 -0.04 2.71 2.69 2vr3A1 ASP 540 HB3 -0.03 0.19 -0.06 -0.04 2.70 2.77 2vr3A1 CYS 541 H -0.05 0.42 0.28 -0.55 8.50 8.60 2vr3A1 CYS 541 HA -0.03 -0.02 0.51 -0.75 4.58 4.29 2vr3A1 CYS 541 HB2 -0.04 0.03 0.10 -0.04 2.97 3.03 2vr3A1 CYS 541 HB3 -0.03 -0.01 0.07 -0.04 2.97 2.96 2vr3A1 PRO 542 HA -0.01 0.01 0.43 -0.51 4.44 4.36 2vr3A1 PRO 542 HB2 -0.01 -0.01 -0.08 -0.04 2.28 2.13 2vr3A1 PRO 542 HB3 -0.01 0.01 -0.02 -0.04 2.02 1.96 2vr3A1 PRO 542 HG2 -0.01 0.00 0.06 -0.04 2.03 2.04 2vr3A1 PRO 542 HG3 -0.01 0.02 0.07 -0.04 2.03 2.07 2vr3A1 PRO 542 HD2 -0.02 0.06 0.22 -0.04 3.68 3.90 2vr3A1 PRO 542 HD3 -0.02 0.16 0.16 -0.04 3.65 3.91 2vr3A1 VAL 543 H -0.01 0.19 0.13 -0.55 8.24 8.00 2vr3A1 VAL 543 HA -0.01 0.15 0.76 -0.75 4.13 4.28 2vr3A1 VAL 544 H -0.01 0.13 0.02 -0.55 8.24 7.84 2vr3A1 VAL 544 HA -0.01 0.05 0.55 -0.75 4.13 3.97 2vr3A1 PRO 545 HA -0.00 0.15 0.20 -0.51 4.44 4.28