============================================================================= 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 14 0.900 28.095 42.146 39.365 -99.200 -91.000 PHE 16 1.000 34.460 38.959 48.000 -99.200 -91.000 TYR 17 0.840 26.300 43.321 48.466 -99.200 -91.000 TYR 19 0.840 26.903 34.207 43.160 -99.200 -91.000 TYR 31 0.840 36.225 36.391 52.667 -99.200 -91.000 TYR 43 0.840 52.828 41.447 51.788 -99.200 -91.000 TRP 48 1.040 60.306 43.158 53.491 -99.200 -91.000 TRP6 48 1.020 59.015 41.661 52.194 -99.200 -91.000 PHE 53 1.000 63.849 47.484 55.288 -99.200 -91.000 TYR 56 0.840 59.300 48.606 55.539 -99.200 -91.000 HIS 78 0.900 32.246 49.594 35.858 -99.200 -91.000 TYR 79 0.840 35.374 47.667 38.608 -99.200 -91.000 TYR 85 0.840 35.035 42.431 26.010 -99.200 -91.000 TRP 93 1.040 34.715 40.707 32.826 -99.200 -91.000 TRP6 93 1.020 35.409 42.679 31.724 -99.200 -91.000 PHE 102 1.000 39.964 47.322 40.162 -99.200 -91.000 PHE 104 1.000 38.670 53.448 30.807 -99.200 -91.000 HIS 117 0.900 43.921 42.606 45.226 -99.200 -91.000 PHE 119 1.000 40.025 41.379 48.008 -99.200 -91.000 TYR 121 0.840 32.016 33.117 44.090 -99.200 -91.000 PHE 124 1.000 39.312 35.462 36.878 -99.200 -91.000 TYR 133 0.840 48.310 45.548 35.571 -99.200 -91.000 HIS 142 0.900 56.618 49.847 32.310 -99.200 -91.000 TYR 150 0.840 52.743 53.218 33.777 -99.200 -91.000 TYR 151 0.840 46.639 59.167 26.582 -99.200 -91.000 TYR 160 0.840 46.834 56.932 38.108 -99.200 -91.000 TYR 171 0.840 39.610 23.945 38.501 -99.200 -91.000 HIS 186 0.900 51.462 34.649 43.221 -99.200 -91.000 HIS 190 0.900 53.226 38.395 40.574 -99.200 -91.000 PHE 192 1.000 54.188 45.550 49.201 -99.200 -91.000 HIS 196 0.900 54.520 33.799 38.684 -99.200 -91.000 TYR 214 0.840 60.101 29.923 50.736 -99.200 -91.000 TYR 217 0.840 56.478 26.515 42.368 -99.200 -91.000 HIS 225 0.900 52.823 20.913 51.093 -99.200 -91.000 PHE 231 1.000 55.945 37.749 50.150 -99.200 -91.000 TYR 240 0.840 66.617 46.009 51.196 -99.200 -91.000 PHE 251 1.000 55.265 50.944 50.886 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2fv9B1 PRO 220 HA 0.08 0.04 0.05 -0.51 4.44 4.11 2fv9B1 PRO 220 HB2 0.03 0.01 -0.02 -0.04 2.28 2.25 2fv9B1 PRO 220 HB3 0.10 -0.00 0.02 -0.04 2.02 2.10 2fv9B1 PRO 220 HG2 0.04 -0.02 -0.11 -0.04 2.03 1.90 2fv9B1 PRO 220 HG3 0.06 -0.01 -0.02 -0.04 2.03 2.01 2fv9B1 PRO 220 HD2 0.05 -0.02 0.02 -0.04 3.68 3.69 2fv9B1 PRO 220 HD3 0.08 0.03 0.01 -0.04 3.65 3.73 2fv9B1 MET 221 H 0.04 0.17 0.05 -0.55 8.47 8.18 2fv9B1 MET 221 HA -0.01 0.15 0.70 -0.75 4.52 4.61 2fv9B1 MET 221 HB2 0.02 0.03 0.04 -0.04 2.15 2.20 2fv9B1 MET 221 HB3 0.01 -0.04 0.04 -0.04 2.03 2.00 2fv9B1 MET 221 HG2 0.01 0.02 -0.05 -0.04 2.63 2.57 2fv9B1 MET 221 HG3 0.02 -0.01 -0.05 -0.04 2.56 2.48 2fv9B1 MET 221 HE3 0.02 0.01 -0.01 -0.04 2.10 2.08 2fv9B1 LYS 222 H 0.06 0.06 -0.14 -0.55 8.42 7.85 2fv9B1 LYS 222 HA 0.08 0.07 0.20 -0.75 4.32 3.92 2fv9B1 LYS 222 HB2 0.11 -0.09 0.04 -0.04 1.87 1.89 2fv9B1 LYS 222 HB3 0.16 0.33 -0.14 -0.04 1.79 2.10 2fv9B1 LYS 222 HG2 0.06 -0.04 -0.09 -0.04 1.46 1.35 2fv9B1 LYS 222 HG3 0.05 -0.20 -0.05 -0.04 1.46 1.22 2fv9B1 LYS 222 HD2 0.04 -0.11 0.02 -0.04 1.69 1.60 2fv9B1 LYS 222 HD3 0.06 0.34 0.07 -0.04 1.68 2.11 2fv9B1 LYS 222 HE2 0.03 -0.03 0.01 -0.04 2.99 2.95 2fv9B1 LYS 222 HE3 0.03 -0.13 0.00 -0.04 2.99 2.85 2fv9B1 ASN 223 H 0.02 0.37 -0.09 -0.55 8.53 8.29 2fv9B1 ASN 223 HA 0.27 0.16 0.81 -0.75 4.76 5.25 2fv9B1 ASN 223 HB2 -0.55 0.03 0.03 -0.04 2.88 2.34 2fv9B1 ASN 223 HB3 -0.50 0.01 -0.30 -0.04 2.79 1.96 2fv9B1 ASN 223 HD21 -0.09 -0.15 0.01 -0.04 7.03 6.77 2fv9B1 ASN 223 HD22 -0.21 0.04 -0.02 -0.04 7.74 7.51 2fv9B1 THR 224 H 0.05 0.47 0.09 -0.55 8.28 8.34 2fv9B1 THR 224 HA -0.11 0.29 1.03 -0.75 4.39 4.84 2fv9B1 THR 224 HB -0.06 0.03 -0.30 -0.04 4.32 3.95 2fv9B1 THR 224 HG23 -0.07 -0.01 -0.53 -0.04 1.22 0.56 2fv9B1 CYS 225 H -0.32 0.61 0.28 -0.55 8.50 8.52 2fv9B1 CYS 225 HA -0.55 0.13 0.79 -0.75 4.58 4.20 2fv9B1 CYS 225 HB2 -1.14 0.04 -0.00 -0.04 2.97 1.82 2fv9B1 CYS 225 HB3 -0.23 0.01 0.17 -0.04 2.97 2.87 2fv9B1 LYS 226 H -0.14 0.23 0.19 -0.55 8.42 8.15 2fv9B1 LYS 226 HA -0.06 0.26 0.63 -0.75 4.32 4.40 2fv9B1 LYS 226 HB2 -0.05 -0.07 0.19 -0.04 1.87 1.90 2fv9B1 LYS 226 HB3 -0.03 -0.00 0.06 -0.04 1.79 1.78 2fv9B1 LYS 226 HG2 -0.06 0.03 0.03 -0.04 1.46 1.42 2fv9B1 LYS 226 HG3 -0.03 0.03 0.04 -0.04 1.46 1.46 2fv9B1 LYS 226 HD2 -0.03 0.01 -0.10 -0.04 1.69 1.53 2fv9B1 LYS 226 HD3 -0.05 -0.05 -0.22 -0.04 1.68 1.32 2fv9B1 LYS 226 HE2 -0.03 0.01 -0.09 -0.04 2.99 2.85 2fv9B1 LYS 226 HE3 -0.04 -0.00 -0.16 -0.04 2.99 2.75 2fv9B1 LEU 227 H -0.01 0.50 0.41 -0.55 8.37 8.72 2fv9B1 LEU 227 HA 0.01 0.39 1.15 -0.75 4.35 5.15 2fv9B1 LEU 227 HB2 0.04 -0.14 -0.05 -0.04 1.64 1.44 2fv9B1 LEU 227 HB3 0.07 0.00 -0.17 -0.04 1.64 1.50 2fv9B1 LEU 227 HG -0.02 0.05 -0.15 -0.04 1.64 1.48 2fv9B1 LEU 227 HD13 0.02 -0.02 -0.17 -0.04 0.93 0.71 2fv9B1 LEU 227 HD23 0.02 0.03 -0.27 -0.04 0.89 0.62 2fv9B1 LEU 228 H 0.06 0.68 0.37 -0.55 8.37 8.93 2fv9B1 LEU 228 HA 0.04 0.14 0.89 -0.75 4.35 4.68 2fv9B1 LEU 228 HB2 0.01 0.06 0.00 -0.04 1.64 1.68 2fv9B1 LEU 228 HB3 0.04 0.00 0.25 -0.04 1.64 1.90 2fv9B1 LEU 228 HG 0.10 -0.06 -0.35 -0.04 1.64 1.29 2fv9B1 LEU 228 HD13 0.04 0.03 -0.13 -0.04 0.93 0.83 2fv9B1 LEU 228 HD23 0.01 -0.01 -0.12 -0.04 0.89 0.73 2fv9B1 VAL 229 H 0.08 0.63 0.29 -0.55 8.24 8.70 2fv9B1 VAL 229 HA 0.22 0.21 1.03 -0.75 4.13 4.84 2fv9B1 VAL 229 HB 0.08 -0.02 0.15 -0.04 2.12 2.29 2fv9B1 VAL 229 HG13 0.19 -0.01 -0.16 -0.04 0.97 0.95 2fv9B1 VAL 229 HG23 0.17 -0.00 -0.14 -0.04 0.95 0.93 2fv9B1 VAL 230 H 0.17 0.80 0.44 -0.55 8.24 9.10 2fv9B1 VAL 230 HA 0.12 0.23 1.22 -0.75 4.13 4.95 2fv9B1 VAL 230 HB 0.07 -0.05 0.08 -0.04 2.12 2.19 2fv9B1 VAL 230 HG13 0.28 -0.02 -0.20 -0.04 0.97 0.99 2fv9B1 VAL 230 HG23 0.22 0.02 -0.20 -0.04 0.95 0.95 2fv9B1 ALA 231 H 0.09 0.91 0.45 -0.55 8.40 9.31 2fv9B1 ALA 231 HA -0.01 0.26 1.02 -0.75 4.34 4.86 2fv9B1 ALA 231 HB3 0.12 -0.03 0.06 -0.04 1.41 1.53 2fv9B1 ASP 232 H 0.12 0.36 0.27 -0.55 8.40 8.61 2fv9B1 ASP 232 HA 0.15 0.18 0.73 -0.75 4.63 4.94 2fv9B1 ASP 232 HB2 0.12 0.01 0.16 -0.04 2.71 2.97 2fv9B1 ASP 232 HB3 0.17 0.07 0.02 -0.04 2.70 2.92 2fv9B1 HIS 233 H 0.25 0.17 0.08 -0.55 8.41 8.37 2fv9B1 HIS 233 HA 0.16 0.30 0.32 -0.75 4.63 4.66 2fv9B1 HIS 233 HB2 0.10 0.09 -0.07 -0.04 3.26 3.34 2fv9B1 HIS 233 HB3 0.06 0.04 -0.35 -0.04 3.20 2.91 2fv9B1 HIS 233 HD2 0.11 0.01 -0.18 -0.04 6.97 6.86 2fv9B1 HIS 233 HE1 0.16 0.34 -0.42 -0.04 7.75 7.78 2fv9B1 ARG 234 H -0.47 0.07 -0.17 -0.55 8.46 7.34 2fv9B1 ARG 234 HA 0.11 0.17 0.44 -0.75 4.34 4.31 2fv9B1 ARG 234 HB2 0.04 -0.25 0.12 -0.04 1.90 1.76 2fv9B1 ARG 234 HB3 0.24 0.19 0.05 -0.04 1.80 2.24 2fv9B1 ARG 234 HG2 0.01 0.09 0.03 -0.04 1.67 1.76 2fv9B1 ARG 234 HG3 -0.46 0.00 0.03 -0.04 1.67 1.20 2fv9B1 ARG 234 HD2 0.03 -0.22 -0.12 -0.04 3.22 2.87 2fv9B1 ARG 234 HD3 0.08 0.25 -0.02 -0.04 3.22 3.49 2fv9B1 PHE 235 H 0.26 0.07 -0.17 -0.55 8.34 7.94 2fv9B1 PHE 235 HA 0.07 0.05 0.24 -0.75 4.62 4.23 2fv9B1 PHE 235 HB2 0.12 -0.07 -0.09 -0.04 3.15 3.06 2fv9B1 PHE 235 HB3 0.10 0.08 0.05 -0.04 3.06 3.25 2fv9B1 PHE 235 HD2 0.10 0.07 -0.28 -0.04 7.28 7.12 2fv9B1 PHE 235 HE2 -0.01 0.05 -0.09 -0.04 7.38 7.28 2fv9B1 PHE 235 HZ -0.40 0.03 -0.11 -0.04 7.32 6.80 2fv9B1 TYR 236 H 0.34 0.59 -0.22 -0.55 8.29 8.45 2fv9B1 TYR 236 HA 0.05 -0.03 0.27 -0.75 4.56 4.10 2fv9B1 TYR 236 HB2 0.11 0.03 -0.14 -0.04 3.06 3.01 2fv9B1 TYR 236 HB3 0.06 0.17 0.01 -0.04 2.98 3.18 2fv9B1 TYR 236 HD2 0.03 0.08 -0.10 -0.04 7.15 7.12 2fv9B1 TYR 236 HE2 0.01 -0.04 -0.33 -0.04 6.85 6.45 2fv9B1 ARG 237 H -0.02 0.45 -0.39 -0.55 8.46 7.95 2fv9B1 ARG 237 HA -0.41 0.01 0.58 -0.75 4.34 3.77 2fv9B1 ARG 237 HB2 -0.15 0.07 0.11 -0.04 1.90 1.89 2fv9B1 ARG 237 HB3 -0.40 0.08 0.22 -0.04 1.80 1.66 2fv9B1 ARG 237 HG2 -0.98 -0.00 -0.26 -0.04 1.67 0.39 2fv9B1 ARG 237 HG3 -0.37 -0.02 -0.01 -0.04 1.67 1.23 2fv9B1 ARG 237 HD2 -0.18 0.01 0.01 -0.04 3.22 3.02 2fv9B1 ARG 237 HD3 -0.65 -0.00 0.01 -0.04 3.22 2.53 2fv9B1 TYR 238 H -0.29 0.58 0.12 -0.55 8.29 8.15 2fv9B1 TYR 238 HA -0.33 0.14 0.64 -0.75 4.56 4.26 2fv9B1 TYR 238 HB2 -1.04 0.02 0.07 -0.04 3.06 2.07 2fv9B1 TYR 238 HB3 -1.00 -0.01 0.05 -0.04 2.98 1.98 2fv9B1 TYR 238 HD2 -0.07 0.06 0.07 -0.04 7.15 7.17 2fv9B1 TYR 238 HE2 0.04 -0.00 0.02 -0.04 6.85 6.86 2fv9B1 MET 239 H -0.51 0.59 0.01 -0.55 8.47 8.02 2fv9B1 MET 239 HA -0.52 0.22 0.94 -0.75 4.52 4.40 2fv9B1 MET 239 HB2 -1.80 0.11 0.05 -0.04 2.15 0.47 2fv9B1 MET 239 HB3 -1.37 -0.03 -0.02 -0.04 2.03 0.57 2fv9B1 MET 239 HG2 -0.75 -0.08 -0.15 -0.04 2.63 1.61 2fv9B1 MET 239 HG3 -0.96 -0.04 -0.06 -0.04 2.56 1.45 2fv9B1 MET 239 HE3 -0.43 -0.00 0.00 -0.04 2.10 1.62 2fv9B1 GLY 240 H -0.39 0.28 -0.10 -0.55 8.43 7.68 2fv9B1 GLY 240 HA2 -0.18 0.15 0.59 -0.51 4.01 4.06 2fv9B1 GLY 240 HA3 -0.17 -0.00 0.33 -0.51 4.01 3.66 2fv9B1 ARG 241 H -0.29 0.12 -0.55 -0.55 8.46 7.19 2fv9B1 ARG 241 HA -0.23 0.18 0.30 -0.75 4.34 3.84 2fv9B1 GLY 242 H -0.50 0.43 -0.04 -0.55 8.43 7.77 2fv9B1 GLY 242 HA2 -1.14 -0.01 0.14 -0.51 4.01 2.49 2fv9B1 GLY 242 HA3 -0.39 0.01 0.36 -0.51 4.01 3.48 2fv9B1 GLU 243 H -0.33 0.76 -0.40 -0.55 8.60 8.08 2fv9B1 GLU 243 HA -0.03 0.16 0.99 -0.75 4.29 4.66 2fv9B1 GLU 243 HB2 -0.05 -0.16 0.11 -0.04 2.09 1.95 2fv9B1 GLU 243 HB3 -0.02 -0.12 0.08 -0.04 1.99 1.89 2fv9B1 GLU 243 HG2 -0.08 0.04 -0.10 -0.04 2.34 2.16 2fv9B1 GLU 243 HG3 -0.13 0.30 -0.04 -0.04 2.34 2.43 2fv9B1 GLU 244 H 0.16 0.23 0.16 -0.55 8.60 8.60 2fv9B1 GLU 244 HA 0.30 0.09 0.39 -0.75 4.29 4.32 2fv9B1 GLU 244 HB2 0.14 0.08 0.14 -0.04 2.09 2.40 2fv9B1 GLU 244 HB3 0.09 -0.03 0.14 -0.04 1.99 2.15 2fv9B1 GLU 244 HG2 0.07 -0.01 -0.12 -0.04 2.34 2.23 2fv9B1 GLU 244 HG3 0.06 -0.00 0.04 -0.04 2.34 2.40 2fv9B1 SER 245 H 0.06 0.12 -0.02 -0.55 8.46 8.07 2fv9B1 SER 245 HA 0.05 0.09 0.37 -0.75 4.49 4.24 2fv9B1 SER 245 HB2 0.03 0.06 0.02 -0.04 3.95 4.01 2fv9B1 SER 245 HB3 0.03 0.03 0.10 -0.04 3.93 4.05 2fv9B1 THR 246 H 0.03 0.08 -0.32 -0.55 8.28 7.52 2fv9B1 THR 246 HA 0.03 0.05 0.40 -0.75 4.39 4.12 2fv9B1 THR 246 HB -0.04 0.25 0.14 -0.04 4.32 4.62 2fv9B1 THR 246 HG23 -0.02 0.01 -0.10 -0.04 1.22 1.06 2fv9B1 THR 247 H 0.07 0.61 -0.05 -0.55 8.28 8.36 2fv9B1 THR 247 HA 0.12 0.02 0.30 -0.75 4.39 4.07 2fv9B1 THR 247 HB 0.23 0.09 0.14 -0.04 4.32 4.74 2fv9B1 THR 247 HG23 0.34 -0.03 -0.19 -0.04 1.22 1.31 2fv9B1 THR 248 H 0.10 0.60 -0.19 -0.55 8.28 8.24 2fv9B1 THR 248 HA 0.07 -0.01 0.30 -0.75 4.39 3.99 2fv9B1 THR 248 HB 0.05 0.09 0.11 -0.04 4.32 4.53 2fv9B1 THR 248 HG23 0.03 -0.02 -0.14 -0.04 1.22 1.06 2fv9B1 ASN 249 H 0.07 0.58 -0.12 -0.55 8.53 8.51 2fv9B1 ASN 249 HA 0.03 -0.00 0.41 -0.75 4.76 4.44 2fv9B1 ASN 249 HB2 0.05 0.10 0.18 -0.04 2.88 3.17 2fv9B1 ASN 249 HB3 0.03 -0.05 -0.00 -0.04 2.79 2.73 2fv9B1 ASN 249 HD21 0.02 -0.09 -0.04 -0.04 7.03 6.88 2fv9B1 ASN 249 HD22 0.03 -0.04 -0.12 -0.04 7.74 7.57 2fv9B1 TYR 250 H 0.19 0.62 -0.15 -0.55 8.29 8.40 2fv9B1 TYR 250 HA 0.01 -0.00 0.38 -0.75 4.56 4.20 2fv9B1 TYR 250 HB2 0.02 0.08 0.09 -0.04 3.06 3.21 2fv9B1 TYR 250 HB3 0.11 0.12 0.10 -0.04 2.98 3.27 2fv9B1 TYR 250 HD2 0.07 0.03 -0.19 -0.04 7.15 7.02 2fv9B1 TYR 250 HE2 0.13 -0.02 -0.06 -0.04 6.85 6.87 2fv9B1 LEU 251 H 0.17 0.48 -0.20 -0.55 8.37 8.27 2fv9B1 LEU 251 HA -0.13 -0.01 0.38 -0.75 4.35 3.84 2fv9B1 LEU 251 HB2 -0.04 0.13 0.07 -0.04 1.64 1.75 2fv9B1 LEU 251 HB3 -0.25 -0.06 -0.04 -0.04 1.64 1.24 2fv9B1 LEU 251 HG 0.12 0.18 0.02 -0.04 1.64 1.92 2fv9B1 LEU 251 HD13 -0.17 -0.03 -0.16 -0.04 0.93 0.53 2fv9B1 LEU 251 HD23 -1.02 -0.02 -0.09 -0.04 0.89 -0.29 2fv9B1 ILE 252 H -0.00 0.61 -0.09 -0.55 8.25 8.21 2fv9B1 ILE 252 HA -0.02 -0.01 0.45 -0.75 4.18 3.85 2fv9B1 ILE 252 HB -0.00 0.08 0.15 -0.04 1.89 2.07 2fv9B1 ILE 252 HG12 -0.00 -0.05 0.00 -0.04 1.49 1.40 2fv9B1 ILE 252 HG13 0.01 0.19 0.05 -0.04 1.21 1.41 2fv9B1 ILE 252 HG23 -0.01 -0.01 -0.13 -0.04 0.93 0.74 2fv9B1 ILE 252 HD13 0.01 -0.02 -0.09 -0.04 0.88 0.74 2fv9B1 GLU 253 H -0.06 0.65 -0.13 -0.55 8.60 8.51 2fv9B1 GLU 253 HA -0.05 0.03 0.48 -0.75 4.29 4.00 2fv9B1 GLU 253 HB2 -0.14 0.12 0.15 -0.04 2.09 2.17 2fv9B1 GLU 253 HB3 -0.09 -0.06 0.01 -0.04 1.99 1.81 2fv9B1 GLU 253 HG2 -0.03 -0.05 -0.00 -0.04 2.34 2.22 2fv9B1 GLU 253 HG3 -0.03 0.18 0.05 -0.04 2.34 2.49 2fv9B1 LEU 254 H -0.17 0.59 -0.07 -0.55 8.37 8.16 2fv9B1 LEU 254 HA -0.10 0.01 0.40 -0.75 4.35 3.91 2fv9B1 LEU 254 HB2 -0.29 0.04 0.07 -0.04 1.64 1.42 2fv9B1 LEU 254 HB3 -0.13 0.05 0.12 -0.04 1.64 1.64 2fv9B1 LEU 254 HG 0.04 -0.05 -0.06 -0.04 1.64 1.53 2fv9B1 LEU 254 HD13 0.24 0.00 -0.16 -0.04 0.93 0.97 2fv9B1 LEU 254 HD23 0.14 -0.00 -0.36 -0.04 0.89 0.62 2fv9B1 ILE 255 H -0.05 0.65 -0.12 -0.55 8.25 8.18 2fv9B1 ILE 255 HA 0.03 0.00 0.35 -0.75 4.18 3.80 2fv9B1 ILE 255 HB -0.01 0.12 0.11 -0.04 1.89 2.07 2fv9B1 ILE 255 HG12 -0.04 0.13 0.06 -0.04 1.49 1.60 2fv9B1 ILE 255 HG13 0.02 -0.06 -0.05 -0.04 1.21 1.08 2fv9B1 ILE 255 HG23 0.00 -0.02 -0.18 -0.04 0.93 0.69 2fv9B1 ILE 255 HD13 0.12 -0.02 -0.11 -0.04 0.88 0.84 2fv9B1 ASP 256 H -0.02 0.48 -0.30 -0.55 8.40 8.02 2fv9B1 ASP 256 HA 0.01 0.02 0.41 -0.75 4.63 4.32 2fv9B1 ASP 256 HB2 -0.01 0.04 0.13 -0.04 2.71 2.83 2fv9B1 ASP 256 HB3 -0.02 0.10 0.17 -0.04 2.70 2.91 2fv9B1 ARG 257 H -0.01 0.51 -0.18 -0.55 8.46 8.22 2fv9B1 ARG 257 HA 0.01 0.03 0.48 -0.75 4.34 4.11 2fv9B1 ARG 257 HB2 -0.01 0.10 0.16 -0.04 1.90 2.11 2fv9B1 ARG 257 HB3 0.01 -0.04 0.01 -0.04 1.80 1.73 2fv9B1 ARG 257 HG2 -0.01 -0.04 0.02 -0.04 1.67 1.59 2fv9B1 ARG 257 HG3 -0.03 0.20 0.07 -0.04 1.67 1.87 2fv9B1 ARG 257 HD2 -0.02 -0.02 -0.02 -0.04 3.22 3.12 2fv9B1 ARG 257 HD3 -0.03 -0.04 -0.04 -0.04 3.22 3.07 2fv9B1 VAL 258 H 0.04 0.54 -0.08 -0.55 8.24 8.19 2fv9B1 VAL 258 HA 0.12 0.05 0.43 -0.75 4.13 3.98 2fv9B1 VAL 258 HB 0.07 0.04 0.08 -0.04 2.12 2.27 2fv9B1 VAL 258 HG13 0.23 -0.01 -0.14 -0.04 0.97 1.01 2fv9B1 VAL 258 HG23 0.09 0.08 0.01 -0.04 0.95 1.09 2fv9B1 ASP 259 H 0.06 0.64 -0.16 -0.55 8.40 8.40 2fv9B1 ASP 259 HA 0.11 -0.08 0.41 -0.75 4.63 4.32 2fv9B1 ASP 259 HB2 0.02 0.01 0.11 -0.04 2.71 2.80 2fv9B1 ASP 259 HB3 0.04 0.16 0.19 -0.04 2.70 3.05 2fv9B1 ASP 260 H 0.06 0.45 -0.27 -0.55 8.40 8.09 2fv9B1 ASP 260 HA 0.05 -0.03 0.33 -0.75 4.63 4.23 2fv9B1 ASP 260 HB2 0.03 0.23 0.19 -0.04 2.71 3.12 2fv9B1 ASP 260 HB3 0.02 -0.06 0.01 -0.04 2.70 2.63 2fv9B1 ILE 261 H 0.10 0.37 -0.29 -0.55 8.25 7.88 2fv9B1 ILE 261 HA 0.01 -0.00 0.42 -0.75 4.18 3.85 2fv9B1 ILE 261 HB 0.09 0.15 0.20 -0.04 1.89 2.29 2fv9B1 ILE 261 HG12 -0.03 0.08 0.11 -0.04 1.49 1.61 2fv9B1 ILE 261 HG13 0.02 -0.01 0.08 -0.04 1.21 1.25 2fv9B1 ILE 261 HG23 -0.14 -0.02 -0.13 -0.04 0.93 0.60 2fv9B1 ILE 261 HD13 -0.02 -0.04 0.02 -0.04 0.88 0.80 2fv9B1 TYR 262 H 0.36 0.40 -0.02 -0.55 8.29 8.48 2fv9B1 TYR 262 HA 0.25 -0.04 0.48 -0.75 4.56 4.49 2fv9B1 TYR 262 HB2 0.10 -0.02 0.29 -0.04 3.06 3.38 2fv9B1 TYR 262 HB3 0.19 0.21 0.10 -0.04 2.98 3.44 2fv9B1 TYR 262 HD2 -0.02 0.16 -0.07 -0.04 7.15 7.18 2fv9B1 TYR 262 HE2 -0.49 -0.02 -0.09 -0.04 6.85 6.21 2fv9B1 ARG 263 H 0.19 0.65 0.06 -0.55 8.46 8.81 2fv9B1 ARG 263 HA 0.16 0.06 0.31 -0.75 4.34 4.12 2fv9B1 ARG 263 HB2 0.06 0.04 0.06 -0.04 1.90 2.01 2fv9B1 ARG 263 HB3 0.05 -0.10 -0.02 -0.04 1.80 1.68 2fv9B1 ARG 263 HG2 0.12 0.17 -0.01 -0.04 1.67 1.90 2fv9B1 ARG 263 HG3 0.05 -0.09 -0.11 -0.04 1.67 1.48 2fv9B1 ARG 263 HD2 0.03 0.02 -0.21 -0.04 3.22 3.02 2fv9B1 ARG 263 HD3 0.13 0.05 -0.93 -0.04 3.22 2.43 2fv9B1 ASN 264 H 0.03 0.50 -0.25 -0.55 8.53 8.26 2fv9B1 ASN 264 HA -0.03 -0.00 0.48 -0.75 4.76 4.45 2fv9B1 ASN 264 HB2 -0.02 0.17 0.11 -0.04 2.88 3.09 2fv9B1 ASN 264 HB3 -0.04 -0.10 0.12 -0.04 2.79 2.73 2fv9B1 ASN 264 HD21 0.01 -0.14 0.02 -0.04 7.03 6.87 2fv9B1 ASN 264 HD22 0.01 0.30 0.03 -0.04 7.74 8.04 2fv9B1 THR 265 H -0.13 0.51 -0.49 -0.55 8.28 7.62 2fv9B1 THR 265 HA -0.33 0.00 0.67 -0.75 4.39 3.97 2fv9B1 THR 265 HB -0.84 0.23 0.23 -0.04 4.32 3.91 2fv9B1 THR 265 HG23 -1.74 -0.07 -0.21 -0.04 1.22 -0.83 2fv9B1 ALA 266 H -0.33 0.17 0.11 -0.55 8.40 7.80 2fv9B1 ALA 266 HA -0.18 0.36 0.62 -0.75 4.34 4.39 2fv9B1 ALA 266 HB3 -0.06 -0.04 -0.10 -0.04 1.41 1.16 2fv9B1 TRP 267 H -0.28 0.61 0.15 -0.55 7.97 7.90 2fv9B1 TRP 267 HA 0.05 0.02 0.34 -0.75 4.62 4.27 2fv9B1 TRP 267 HB2 0.61 0.01 0.07 -0.04 3.23 3.88 2fv9B1 TRP 267 HB3 0.25 0.02 0.14 -0.04 3.23 3.60 2fv9B1 TRP 267 HD1 0.03 0.06 0.04 -0.04 7.22 7.31 2fv9B1 TRP 267 HE1 0.15 -0.00 0.03 -0.04 10.20 10.34 2fv9B1 TRP 267 HE3 -0.08 -0.08 0.03 -0.04 7.59 7.42 2fv9B1 TRP 267 HZ2 -0.03 0.09 -0.00 -0.04 7.44 7.46 2fv9B1 TRP 267 HZ3 -0.76 -0.08 -0.15 -0.04 7.13 6.09 2fv9B1 TRP 267 HH2 -1.20 -0.03 -0.06 -0.04 7.19 5.86 2fv9B1 ASP 268 H 0.15 -0.02 -0.63 -0.55 8.40 7.35 2fv9B1 ASP 268 HA -0.17 0.26 0.82 -0.75 4.63 4.80 2fv9B1 ASP 268 HB2 -0.19 0.06 0.15 -0.04 2.71 2.69 2fv9B1 ASP 268 HB3 -0.20 0.09 -0.06 -0.04 2.70 2.49 2fv9B1 ASN 269 H -0.03 0.68 -0.11 -0.55 8.53 8.53 2fv9B1 ASN 269 HA -0.05 0.09 0.35 -0.75 4.76 4.40 2fv9B1 ASN 269 HB2 -0.04 0.14 -0.15 -0.04 2.88 2.79 2fv9B1 ASN 269 HB3 -0.03 -0.02 0.19 -0.04 2.79 2.89 2fv9B1 ASN 269 HD21 -0.04 -0.05 -0.06 -0.04 7.03 6.84 2fv9B1 ASN 269 HD22 -0.04 0.03 -0.19 -0.04 7.74 7.50 2fv9B1 ALA 270 H 0.03 -0.24 -1.00 -0.55 8.40 6.64 2fv9B1 ALA 270 HA 0.01 0.25 0.88 -0.75 4.34 4.73 2fv9B1 ALA 270 HB3 0.03 0.00 0.07 -0.04 1.41 1.47 2fv9B1 GLY 271 H 0.10 0.13 0.07 -0.55 8.43 8.19 2fv9B1 GLY 271 HA2 0.06 0.29 0.85 -0.51 4.01 4.71 2fv9B1 GLY 271 HA3 0.09 0.04 0.31 -0.51 4.01 3.94 2fv9B1 PHE 272 H 0.27 -0.07 -0.14 -0.55 8.34 7.85 2fv9B1 PHE 272 HA 0.23 0.23 0.67 -0.75 4.62 5.00 2fv9B1 PHE 272 HB2 0.20 -0.03 0.08 -0.04 3.15 3.36 2fv9B1 PHE 272 HB3 0.25 -0.20 0.17 -0.04 3.06 3.24 2fv9B1 PHE 272 HD2 0.42 -0.08 0.01 -0.04 7.28 7.60 2fv9B1 PHE 272 HE2 -0.02 0.02 -0.02 -0.04 7.38 7.32 2fv9B1 PHE 272 HZ -0.19 0.03 -0.07 -0.04 7.32 7.05 2fv9B1 LYS 273 H 0.08 0.43 0.02 -0.55 8.42 8.40 2fv9B1 LYS 273 HA 0.09 0.33 0.90 -0.75 4.32 4.88 2fv9B1 LYS 273 HB2 -0.03 0.26 0.03 -0.04 1.87 2.09 2fv9B1 LYS 273 HB3 -0.03 -0.15 -0.36 -0.04 1.79 1.21 2fv9B1 LYS 273 HG2 0.02 -0.00 -0.14 -0.04 1.46 1.30 2fv9B1 LYS 273 HG3 0.00 0.03 -0.10 -0.04 1.46 1.35 2fv9B1 LYS 273 HD2 0.02 -0.08 -0.12 -0.04 1.69 1.47 2fv9B1 LYS 273 HD3 0.01 -0.05 -0.05 -0.04 1.68 1.55 2fv9B1 LYS 273 HE2 -0.02 -0.06 -0.04 -0.04 2.99 2.83 2fv9B1 LYS 273 HE3 -0.02 0.05 -0.05 -0.04 2.99 2.92 2fv9B1 GLY 274 H 0.06 0.72 0.32 -0.55 8.43 8.99 2fv9B1 GLY 274 HA2 -0.00 -0.03 0.38 -0.51 4.01 3.85 2fv9B1 GLY 274 HA3 -0.09 0.09 0.70 -0.51 4.01 4.20 2fv9B1 TYR 275 H 0.41 0.10 -0.15 -0.55 8.29 8.10 2fv9B1 TYR 275 HA 0.16 0.33 0.85 -0.75 4.56 5.15 2fv9B1 TYR 275 HB2 0.59 -0.01 0.02 -0.04 3.06 3.61 2fv9B1 TYR 275 HB3 0.37 0.01 -0.03 -0.04 2.98 3.28 2fv9B1 TYR 275 HD2 0.17 -0.01 -0.15 -0.04 7.15 7.12 2fv9B1 TYR 275 HE2 -0.63 0.05 -0.05 -0.04 6.85 6.17 2fv9B1 GLY 276 H 0.20 0.59 0.30 -0.55 8.43 8.97 2fv9B1 GLY 276 HA2 0.15 0.05 0.44 -0.51 4.01 4.14 2fv9B1 GLY 276 HA3 0.12 0.01 0.37 -0.51 4.01 3.99 2fv9B1 ILE 277 H -0.04 0.13 0.19 -0.55 8.25 7.99 2fv9B1 ILE 277 HA -0.09 0.24 1.00 -0.75 4.18 4.58 2fv9B1 ILE 277 HB -0.06 -0.05 0.05 -0.04 1.89 1.79 2fv9B1 ILE 277 HG12 -0.14 -0.06 0.02 -0.04 1.49 1.28 2fv9B1 ILE 277 HG13 -0.04 0.01 -0.21 -0.04 1.21 0.93 2fv9B1 ILE 277 HG23 -0.14 0.01 -0.19 -0.04 0.93 0.56 2fv9B1 ILE 277 HD13 -0.09 -0.01 -0.11 -0.04 0.88 0.63 2fv9B1 GLN 278 H -0.05 0.40 0.15 -0.55 8.47 8.42 2fv9B1 GLN 278 HA -0.02 0.02 0.52 -0.75 4.36 4.14 2fv9B1 GLN 278 HB2 -0.03 0.09 -0.43 -0.04 2.15 1.74 2fv9B1 GLN 278 HB3 -0.04 -0.02 -0.15 -0.04 2.02 1.77 2fv9B1 GLN 278 HG2 -0.01 0.12 -0.07 -0.04 2.40 2.40 2fv9B1 GLN 278 HG3 -0.01 -0.04 0.06 -0.04 2.39 2.36 2fv9B1 GLN 278 HE21 -0.01 0.50 0.00 -0.04 6.97 7.41 2fv9B1 GLN 278 HE22 -0.02 -0.02 -0.09 -0.04 7.69 7.52 2fv9B1 ILE 279 H -0.00 0.13 0.10 -0.55 8.25 7.93 2fv9B1 ILE 279 HA 0.01 0.01 0.57 -0.75 4.18 4.02 2fv9B1 ILE 279 HB 0.00 0.02 0.07 -0.04 1.89 1.95 2fv9B1 ILE 279 HG12 0.02 -0.00 -0.04 -0.04 1.49 1.43 2fv9B1 ILE 279 HG13 0.00 -0.02 0.03 -0.04 1.21 1.18 2fv9B1 ILE 279 HG23 0.02 0.01 -0.23 -0.04 0.93 0.68 2fv9B1 ILE 279 HD13 -0.01 0.02 -0.10 -0.04 0.88 0.75 2fv9B1 GLU 280 H 0.01 0.58 0.48 -0.55 8.60 9.12 2fv9B1 GLU 280 HA -0.00 0.18 0.87 -0.75 4.29 4.59 2fv9B1 GLU 280 HB2 -0.01 -0.06 0.06 -0.04 2.09 2.04 2fv9B1 GLU 280 HB3 -0.00 0.11 0.09 -0.04 1.99 2.15 2fv9B1 GLU 280 HG2 -0.01 0.00 -0.10 -0.04 2.34 2.19 2fv9B1 GLU 280 HG3 -0.00 -0.03 -0.02 -0.04 2.34 2.25 2fv9B1 GLN 281 H 0.02 0.35 0.40 -0.55 8.47 8.70 2fv9B1 GLN 281 HA 0.02 0.13 0.66 -0.75 4.36 4.40 2fv9B1 GLN 281 HB2 0.01 0.12 -0.14 -0.04 2.15 2.10 2fv9B1 GLN 281 HB3 0.02 -0.05 0.02 -0.04 2.02 1.97 2fv9B1 GLN 281 HG2 0.03 -0.00 -0.26 -0.04 2.40 2.12 2fv9B1 GLN 281 HG3 0.02 0.01 0.08 -0.04 2.39 2.46 2fv9B1 GLN 281 HE21 0.00 0.01 -0.06 -0.04 6.97 6.88 2fv9B1 GLN 281 HE22 0.01 0.01 -0.08 -0.04 7.69 7.58 2fv9B1 ILE 282 H 0.03 0.23 0.17 -0.55 8.25 8.13 2fv9B1 ILE 282 HA 0.05 0.33 1.13 -0.75 4.18 4.93 2fv9B1 ILE 282 HB 0.03 -0.02 0.08 -0.04 1.89 1.94 2fv9B1 ILE 282 HG12 0.03 0.03 -0.09 -0.04 1.49 1.41 2fv9B1 ILE 282 HG13 0.02 -0.06 -0.29 -0.04 1.21 0.85 2fv9B1 ILE 282 HG23 0.04 -0.01 -0.21 -0.04 0.93 0.70 2fv9B1 ILE 282 HD13 0.01 0.00 -0.07 -0.04 0.88 0.79 2fv9B1 ARG 283 H 0.07 0.78 0.38 -0.55 8.46 9.15 2fv9B1 ARG 283 HA 0.04 0.17 0.99 -0.75 4.34 4.79 2fv9B1 ARG 283 HB2 0.11 -0.03 0.12 -0.04 1.90 2.06 2fv9B1 ARG 283 HB3 0.09 -0.01 -0.05 -0.04 1.80 1.79 2fv9B1 ARG 283 HG2 0.06 -0.01 -0.33 -0.04 1.67 1.35 2fv9B1 ARG 283 HG3 0.08 -0.00 -0.10 -0.04 1.67 1.60 2fv9B1 ARG 283 HD2 0.04 -0.03 0.01 -0.04 3.22 3.19 2fv9B1 ARG 283 HD3 0.04 0.22 -0.04 -0.04 3.22 3.40 2fv9B1 ILE 284 H 0.01 0.24 0.08 -0.55 8.25 8.04 2fv9B1 ILE 284 HA 0.04 0.20 1.00 -0.75 4.18 4.67 2fv9B1 ILE 284 HB -0.06 -0.01 0.13 -0.04 1.89 1.91 2fv9B1 ILE 284 HG12 0.08 0.03 -0.20 -0.04 1.49 1.37 2fv9B1 ILE 284 HG13 0.04 -0.04 -0.27 -0.04 1.21 0.90 2fv9B1 ILE 284 HG23 -0.12 -0.01 -0.24 -0.04 0.93 0.52 2fv9B1 ILE 284 HD13 0.09 -0.01 -0.03 -0.04 0.88 0.90 2fv9B1 LEU 285 H 0.04 0.85 0.19 -0.55 8.37 8.91 2fv9B1 LEU 285 HA -0.04 0.07 0.60 -0.75 4.35 4.23 2fv9B1 LEU 285 HB2 0.09 -0.21 0.19 -0.04 1.64 1.67 2fv9B1 LEU 285 HB3 0.03 0.11 0.02 -0.04 1.64 1.76 2fv9B1 LEU 285 HG 0.13 0.19 -0.01 -0.04 1.64 1.91 2fv9B1 LEU 285 HD13 0.13 -0.04 -0.05 -0.04 0.93 0.94 2fv9B1 LEU 285 HD23 0.08 0.01 -0.16 -0.04 0.89 0.78 2fv9B1 LYS 286 H -0.19 0.25 0.14 -0.55 8.42 8.06 2fv9B1 LYS 286 HA -0.89 0.02 0.24 -0.75 4.32 2.94 2fv9B1 SER 287 H -0.05 0.11 -0.11 -0.55 8.46 7.87 2fv9B1 SER 287 HA 0.04 0.22 0.90 -0.75 4.49 4.90 2fv9B1 SER 287 HB2 -0.04 0.05 0.06 -0.04 3.95 3.98 2fv9B1 SER 287 HB3 0.00 0.00 -0.10 -0.04 3.93 3.80 2fv9B1 PRO 288 HA -0.33 0.23 0.42 -0.51 4.44 4.24 2fv9B1 PRO 288 HB2 -0.19 -0.02 -0.06 -0.04 2.28 1.98 2fv9B1 PRO 288 HB3 -0.39 -0.03 0.05 -0.04 2.02 1.61 2fv9B1 PRO 288 HG2 -0.23 0.04 0.05 -0.04 2.03 1.85 2fv9B1 PRO 288 HG3 -1.09 0.03 0.03 -0.04 2.03 0.96 2fv9B1 PRO 288 HD2 -0.11 0.10 0.14 -0.04 3.68 3.77 2fv9B1 PRO 288 HD3 -0.09 0.17 0.22 -0.04 3.65 3.91 2fv9B1 GLN 289 H -0.10 0.50 0.04 -0.55 8.47 8.36 2fv9B1 GLN 289 HA -0.17 0.14 0.70 -0.75 4.36 4.28 2fv9B1 GLN 289 HB2 -0.51 -0.00 -0.06 -0.04 2.15 1.54 2fv9B1 GLN 289 HB3 -0.30 -0.15 -0.26 -0.04 2.02 1.27 2fv9B1 GLN 289 HG2 -1.44 -0.08 -0.13 -0.04 2.40 0.71 2fv9B1 GLN 289 HG3 -0.28 0.15 -0.45 -0.04 2.39 1.77 2fv9B1 GLN 289 HE21 -0.10 -0.04 0.03 -0.04 6.97 6.83 2fv9B1 GLN 289 HE22 -0.11 0.39 0.02 -0.04 7.69 7.95 2fv9B1 GLU 290 H -0.09 0.16 0.09 -0.55 8.60 8.21 2fv9B1 GLU 290 HA -0.03 0.02 0.42 -0.75 4.29 3.95 2fv9B1 GLU 290 HB2 -0.04 -0.01 0.09 -0.04 2.09 2.10 2fv9B1 GLU 290 HB3 -0.02 0.02 -0.05 -0.04 1.99 1.90 2fv9B1 GLU 290 HG2 -0.03 0.01 -0.03 -0.04 2.34 2.24 2fv9B1 GLU 290 HG3 -0.05 0.03 0.03 -0.04 2.34 2.31 2fv9B1 VAL 291 H 0.01 0.16 0.12 -0.55 8.24 7.98 2fv9B1 VAL 291 HA 0.03 0.16 0.96 -0.75 4.13 4.52 2fv9B1 VAL 291 HB 0.07 0.12 -0.30 -0.04 2.12 1.98 2fv9B1 VAL 291 HG13 0.10 0.03 -0.38 -0.04 0.97 0.68 2fv9B1 VAL 291 HG23 0.05 -0.02 0.06 -0.04 0.95 1.00 2fv9B1 LYS 292 H 0.03 0.12 0.04 -0.55 8.42 8.05 2fv9B1 LYS 292 HA 0.02 0.06 0.34 -0.75 4.32 3.98 2fv9B1 LYS 292 HB2 0.03 0.00 0.01 -0.04 1.87 1.87 2fv9B1 LYS 292 HB3 0.02 0.06 0.11 -0.04 1.79 1.93 2fv9B1 LYS 292 HG2 0.02 0.01 0.01 -0.04 1.46 1.45 2fv9B1 LYS 292 HG3 0.03 -0.04 0.07 -0.04 1.46 1.48 2fv9B1 LYS 292 HD2 0.03 0.01 0.01 -0.04 1.69 1.69 2fv9B1 LYS 292 HD3 0.03 0.01 0.01 -0.04 1.68 1.70 2fv9B1 LYS 292 HE2 0.02 0.03 0.02 -0.04 2.99 3.02 2fv9B1 LYS 292 HE3 0.02 -0.01 0.01 -0.04 2.99 2.96 2fv9B1 PRO 293 HA 0.02 0.02 0.48 -0.51 4.44 4.44 2fv9B1 PRO 293 HB2 0.01 0.02 0.12 -0.04 2.28 2.39 2fv9B1 PRO 293 HB3 0.01 0.03 0.09 -0.04 2.02 2.11 2fv9B1 PRO 293 HG2 0.01 0.04 0.10 -0.04 2.03 2.13 2fv9B1 PRO 293 HG3 0.01 0.05 0.11 -0.04 2.03 2.16 2fv9B1 PRO 293 HD2 0.01 0.09 0.20 -0.04 3.68 3.95 2fv9B1 PRO 293 HD3 0.01 0.11 0.20 -0.04 3.65 3.94 2fv9B1 GLY 294 H 0.02 0.13 0.17 -0.55 8.43 8.20 2fv9B1 GLY 294 HA2 0.03 -0.04 0.37 -0.51 4.01 3.86 2fv9B1 GLY 294 HA3 0.02 0.09 0.51 -0.51 4.01 4.12 2fv9B1 GLU 295 H 0.03 0.44 -0.71 -0.55 8.60 7.81 2fv9B1 GLU 295 HA 0.02 0.06 0.47 -0.75 4.29 4.08 2fv9B1 LYS 296 H 0.05 0.20 0.17 -0.55 8.42 8.29 2fv9B1 LYS 296 HA 0.11 0.20 0.81 -0.75 4.32 4.69 2fv9B1 LYS 296 HB2 -0.03 -0.01 -0.03 -0.04 1.87 1.77 2fv9B1 LYS 296 HB3 0.19 -0.07 -0.07 -0.04 1.79 1.81 2fv9B1 LYS 296 HG2 -0.33 0.01 -0.12 -0.04 1.46 0.98 2fv9B1 LYS 296 HG3 -0.17 0.13 -0.44 -0.04 1.46 0.93 2fv9B1 LYS 296 HD2 -0.99 -0.07 -0.11 -0.04 1.69 0.48 2fv9B1 LYS 296 HD3 -1.93 -0.01 -0.09 -0.04 1.68 -0.40 2fv9B1 LYS 296 HE2 -0.24 0.11 -0.05 -0.04 2.99 2.77 2fv9B1 LYS 296 HE3 -0.22 -0.03 -0.07 -0.04 2.99 2.64 2fv9B1 HIS 297 H 0.45 0.36 0.11 -0.55 8.41 8.78 2fv9B1 HIS 297 HA 0.25 0.14 0.55 -0.75 4.63 4.81 2fv9B1 HIS 297 HB2 0.11 0.19 -0.30 -0.04 3.26 3.22 2fv9B1 HIS 297 HB3 0.10 -0.03 -0.12 -0.04 3.20 3.10 2fv9B1 HIS 297 HD2 0.09 0.12 0.02 -0.04 6.97 7.14 2fv9B1 HIS 297 HE1 -0.70 0.04 -0.04 -0.04 7.75 7.00 2fv9B1 TYR 298 H -0.05 0.23 0.03 -0.55 8.29 7.95 2fv9B1 TYR 298 HA -0.45 0.10 0.38 -0.75 4.56 3.84 2fv9B1 TYR 298 HB2 -0.27 0.02 0.06 -0.04 3.06 2.83 2fv9B1 TYR 298 HB3 -0.17 0.01 -0.02 -0.04 2.98 2.75 2fv9B1 TYR 298 HD2 -0.19 -0.01 -0.11 -0.04 7.15 6.79 2fv9B1 TYR 298 HE2 0.04 0.02 -0.12 -0.04 6.85 6.75 2fv9B1 ASN 299 H 0.25 0.05 -0.36 -0.55 8.53 7.92 2fv9B1 ASN 299 HA 0.16 0.18 0.79 -0.75 4.76 5.14 2fv9B1 ASN 299 HB2 -0.47 -0.01 -0.02 -0.04 2.88 2.34 2fv9B1 ASN 299 HB3 -0.13 0.04 0.02 -0.04 2.79 2.67 2fv9B1 ASN 299 HD21 0.04 0.26 -0.11 -0.04 7.03 7.18 2fv9B1 ASN 299 HD22 -0.09 0.02 -0.06 -0.04 7.74 7.57 2fv9B1 MET 300 H 0.38 0.43 -0.38 -0.55 8.47 8.35 2fv9B1 MET 300 HA 0.06 0.09 0.61 -0.75 4.52 4.53 2fv9B1 MET 300 HB2 0.14 -0.05 0.11 -0.04 2.15 2.30 2fv9B1 MET 300 HB3 0.23 -0.07 0.05 -0.04 2.03 2.20 2fv9B1 MET 300 HG2 0.62 0.21 0.10 -0.04 2.63 3.52 2fv9B1 MET 300 HG3 0.30 0.27 -0.15 -0.04 2.56 2.94 2fv9B1 MET 300 HE3 -0.12 -0.03 -0.21 -0.04 2.10 1.70 2fv9B1 ALA 301 H 0.02 0.14 0.14 -0.55 8.40 8.16 2fv9B1 ALA 301 HA 0.10 0.05 0.37 -0.75 4.34 4.10 2fv9B1 ALA 301 HB3 -0.00 -0.00 0.08 -0.04 1.41 1.44 2fv9B1 LYS 302 H 0.10 -0.00 -0.11 -0.55 8.42 7.85 2fv9B1 LYS 302 HA 0.08 0.17 0.68 -0.75 4.32 4.50 2fv9B1 SER 303 H 0.01 0.23 0.08 -0.55 8.46 8.23 2fv9B1 SER 303 HA -0.22 0.07 0.47 -0.75 4.49 4.06 2fv9B1 SER 303 HB2 0.10 -0.22 -0.56 -0.04 3.95 3.23 2fv9B1 SER 303 HB3 0.13 0.17 -0.21 -0.04 3.93 3.99 2fv9B1 TYR 304 H -1.51 0.14 0.06 -0.55 8.29 6.43 2fv9B1 TYR 304 HA -0.44 0.17 0.49 -0.75 4.56 4.03 2fv9B1 TYR 304 HB2 -1.02 0.13 -0.26 -0.04 3.06 1.87 2fv9B1 TYR 304 HB3 -2.26 -0.06 -0.05 -0.04 2.98 0.56 2fv9B1 TYR 304 HD2 -0.22 -0.02 -0.24 -0.04 7.15 6.63 2fv9B1 TYR 304 HE2 -0.06 0.02 -0.04 -0.04 6.85 6.72 2fv9B1 PRO 305 HA -1.60 0.13 0.34 -0.51 4.44 2.80 2fv9B1 PRO 305 HB2 -0.43 0.07 -0.01 -0.04 2.28 1.87 2fv9B1 PRO 305 HB3 -0.65 0.06 0.08 -0.04 2.02 1.46 2fv9B1 PRO 305 HG2 -0.15 0.00 0.07 -0.04 2.03 1.92 2fv9B1 PRO 305 HG3 -0.09 0.06 0.09 -0.04 2.03 2.04 2fv9B1 PRO 305 HD2 0.01 0.06 0.45 -0.04 3.68 4.16 2fv9B1 PRO 305 HD3 0.09 0.08 0.17 -0.04 3.65 3.95 2fv9B1 ASN 306 H -0.17 0.17 -0.15 -0.55 8.53 7.83 2fv9B1 ASN 306 HA -0.15 0.16 0.71 -0.75 4.76 4.73 2fv9B1 ASN 306 HB2 -0.08 0.02 0.06 -0.04 2.88 2.84 2fv9B1 ASN 306 HB3 -0.06 0.02 0.14 -0.04 2.79 2.85 2fv9B1 ASN 306 HD21 -0.04 0.04 -0.01 -0.04 7.03 6.98 2fv9B1 ASN 306 HD22 -0.05 0.02 -0.00 -0.04 7.74 7.67 2fv9B1 GLU 307 H -0.14 0.31 0.11 -0.55 8.60 8.33 2fv9B1 GLU 307 HA -0.09 0.21 0.26 -0.75 4.29 3.91 2fv9B1 GLU 308 H -0.05 -0.07 -0.51 -0.55 8.60 7.42 2fv9B1 GLU 308 HA -0.02 0.12 0.45 -0.75 4.29 4.09 2fv9B1 LYS 309 H -0.03 0.31 -0.20 -0.55 8.42 7.95 2fv9B1 LYS 309 HA -0.01 0.07 0.58 -0.75 4.32 4.21 2fv9B1 ASP 310 H -0.01 0.06 0.16 -0.55 8.40 8.06 2fv9B1 ASP 310 HA 0.01 0.17 0.45 -0.75 4.63 4.50 2fv9B1 ASP 310 HB2 -0.04 0.05 0.15 -0.04 2.71 2.82 2fv9B1 ASP 310 HB3 -0.06 -0.01 0.19 -0.04 2.70 2.79 2fv9B1 ALA 311 H 0.02 0.08 -0.10 -0.55 8.40 7.86 2fv9B1 ALA 311 HA 0.14 0.25 0.97 -0.75 4.34 4.94 2fv9B1 ALA 311 HB3 -0.12 -0.03 -0.32 -0.04 1.41 0.91 2fv9B1 TRP 312 H 0.60 0.09 0.03 -0.55 7.97 8.15 2fv9B1 TRP 312 HA 0.14 0.12 0.36 -0.75 4.62 4.49 2fv9B1 TRP 312 HB2 0.26 -0.07 -0.06 -0.04 3.23 3.32 2fv9B1 TRP 312 HB3 0.18 0.07 0.04 -0.04 3.23 3.48 2fv9B1 TRP 312 HD1 0.14 -0.00 0.04 -0.04 7.22 7.35 2fv9B1 TRP 312 HE1 0.17 0.26 -0.01 -0.04 10.20 10.57 2fv9B1 TRP 312 HE3 0.16 -0.03 -0.15 -0.04 7.59 7.53 2fv9B1 TRP 312 HZ2 0.14 0.29 -0.08 -0.04 7.44 7.74 2fv9B1 TRP 312 HZ3 -0.04 0.03 -0.21 -0.04 7.13 6.86 2fv9B1 TRP 312 HH2 -0.02 -0.07 -0.23 -0.04 7.19 6.83 2fv9B1 ASP 313 H 0.40 0.49 0.35 -0.55 8.40 9.09 2fv9B1 ASP 313 HA 0.15 0.09 0.58 -0.75 4.63 4.70 2fv9B1 ASP 313 HB2 0.12 0.09 0.21 -0.04 2.71 3.08 2fv9B1 ASP 313 HB3 0.24 0.00 0.26 -0.04 2.70 3.16 2fv9B1 VAL 314 H -0.05 0.20 0.13 -0.55 8.24 7.96 2fv9B1 VAL 314 HA -0.31 0.07 0.17 -0.75 4.13 3.32 2fv9B1 VAL 314 HB -1.11 0.05 0.03 -0.04 2.12 1.05 2fv9B1 VAL 314 HG13 -0.21 0.02 -0.01 -0.04 0.97 0.73 2fv9B1 VAL 314 HG23 -0.66 0.03 -0.23 -0.04 0.95 0.04 2fv9B1 LYS 315 H -0.05 0.10 -0.16 -0.55 8.42 7.75 2fv9B1 LYS 315 HA -0.06 0.13 0.36 -0.75 4.32 4.00 2fv9B1 LYS 315 HB2 -0.02 0.04 0.06 -0.04 1.87 1.92 2fv9B1 LYS 315 HB3 0.02 -0.05 0.04 -0.04 1.79 1.76 2fv9B1 LYS 315 HG2 0.04 0.00 -0.21 -0.04 1.46 1.26 2fv9B1 LYS 315 HG3 0.03 0.05 -0.00 -0.04 1.46 1.49 2fv9B1 LYS 315 HD2 0.01 0.02 -0.02 -0.04 1.69 1.66 2fv9B1 LYS 315 HD3 0.02 -0.02 -0.04 -0.04 1.68 1.60 2fv9B1 LYS 315 HE2 0.02 -0.01 -0.06 -0.04 2.99 2.91 2fv9B1 LYS 315 HE3 0.03 0.03 -0.04 -0.04 2.99 2.97 2fv9B1 MET 316 H 0.12 0.05 -0.25 -0.55 8.47 7.84 2fv9B1 MET 316 HA 0.14 0.09 0.40 -0.75 4.52 4.39 2fv9B1 MET 316 HB2 0.37 0.03 0.11 -0.04 2.15 2.62 2fv9B1 MET 316 HB3 0.42 0.03 -0.06 -0.04 2.03 2.38 2fv9B1 MET 316 HG2 0.16 0.05 -0.01 -0.04 2.63 2.79 2fv9B1 MET 316 HG3 0.14 -0.07 0.01 -0.04 2.56 2.60 2fv9B1 MET 316 HE3 0.08 -0.01 0.03 -0.04 2.10 2.17 2fv9B1 LEU 317 H 0.17 0.65 -0.18 -0.55 8.37 8.46 2fv9B1 LEU 317 HA -0.59 0.00 0.35 -0.75 4.35 3.36 2fv9B1 LEU 317 HB2 -0.08 -0.06 -0.04 -0.04 1.64 1.43 2fv9B1 LEU 317 HB3 -0.09 0.11 0.03 -0.04 1.64 1.65 2fv9B1 LEU 317 HG -0.29 0.03 -0.34 -0.04 1.64 1.00 2fv9B1 LEU 317 HD13 -1.05 -0.02 0.05 -0.04 0.93 -0.13 2fv9B1 LEU 317 HD23 -0.04 -0.02 -0.10 -0.04 0.89 0.70 2fv9B1 LEU 318 H -0.09 0.57 -0.21 -0.55 8.37 8.09 2fv9B1 LEU 318 HA -0.10 -0.01 0.30 -0.75 4.35 3.79 2fv9B1 LEU 318 HB2 -0.22 -0.01 0.00 -0.04 1.64 1.38 2fv9B1 LEU 318 HB3 -0.11 0.11 0.05 -0.04 1.64 1.64 2fv9B1 LEU 318 HG -0.26 0.03 -0.30 -0.04 1.64 1.06 2fv9B1 LEU 318 HD13 -0.16 -0.02 -0.17 -0.04 0.93 0.54 2fv9B1 LEU 318 HD23 -0.82 0.00 -0.26 -0.04 0.89 -0.23 2fv9B1 GLU 319 H 0.05 0.41 -0.25 -0.55 8.60 8.27 2fv9B1 GLU 319 HA 0.14 0.08 0.37 -0.75 4.29 4.13 2fv9B1 GLU 319 HB2 0.08 0.06 0.09 -0.04 2.09 2.28 2fv9B1 GLU 319 HB3 0.06 0.04 0.05 -0.04 1.99 2.10 2fv9B1 GLU 319 HG2 0.01 -0.03 -0.09 -0.04 2.34 2.19 2fv9B1 GLU 319 HG3 0.01 0.02 0.01 -0.04 2.34 2.33 2fv9B1 GLN 320 H 0.02 0.54 -0.18 -0.55 8.47 8.31 2fv9B1 GLN 320 HA 0.09 0.05 0.36 -0.75 4.36 4.10 2fv9B1 GLN 320 HB2 0.12 0.08 0.03 -0.04 2.15 2.34 2fv9B1 GLN 320 HB3 -0.24 0.08 0.10 -0.04 2.02 1.92 2fv9B1 GLN 320 HG2 0.26 -0.04 -0.31 -0.04 2.40 2.28 2fv9B1 GLN 320 HG3 0.12 -0.16 -0.21 -0.04 2.39 2.10 2fv9B1 GLN 320 HE21 0.07 0.09 -0.06 -0.04 6.97 7.03 2fv9B1 GLN 320 HE22 0.31 -0.11 -0.03 -0.04 7.69 7.81 2fv9B1 PHE 321 H -0.02 0.68 -0.08 -0.55 8.34 8.37 2fv9B1 PHE 321 HA -0.51 -0.11 0.38 -0.75 4.62 3.62 2fv9B1 PHE 321 HB2 -0.45 -0.05 0.06 -0.04 3.15 2.68 2fv9B1 PHE 321 HB3 -0.28 0.18 0.09 -0.04 3.06 3.00 2fv9B1 PHE 321 HD2 -1.20 -0.02 -0.07 -0.04 7.28 5.95 2fv9B1 PHE 321 HE2 -0.34 0.05 -0.17 -0.04 7.38 6.88 2fv9B1 PHE 321 HZ -0.17 0.04 -0.26 -0.04 7.32 6.89 2fv9B1 SER 322 H -0.02 0.52 -0.31 -0.55 8.46 8.10 2fv9B1 SER 322 HA -0.34 -0.00 0.35 -0.75 4.49 3.74 2fv9B1 SER 322 HB2 0.05 0.11 0.15 -0.04 3.95 4.22 2fv9B1 SER 322 HB3 0.01 0.09 0.07 -0.04 3.93 4.05 2fv9B1 PHE 323 H 0.10 0.44 -0.20 -0.55 8.34 8.12 2fv9B1 PHE 323 HA -0.07 0.04 0.48 -0.75 4.62 4.31 2fv9B1 PHE 323 HB2 -0.05 -0.02 0.10 -0.04 3.15 3.13 2fv9B1 PHE 323 HB3 -0.04 0.07 0.22 -0.04 3.06 3.28 2fv9B1 PHE 323 HD2 -0.04 -0.03 -0.04 -0.04 7.28 7.13 2fv9B1 PHE 323 HE2 -0.02 0.06 0.01 -0.04 7.38 7.40 2fv9B1 PHE 323 HZ -0.01 0.05 0.01 -0.04 7.32 7.34 2fv9B1 ASP 324 H 0.01 0.56 0.00 -0.55 8.40 8.42 2fv9B1 ASP 324 HA -0.23 0.12 0.54 -0.75 4.63 4.30 2fv9B1 ASP 324 HB2 0.12 0.01 0.14 -0.04 2.71 2.94 2fv9B1 ASP 324 HB3 0.08 -0.04 0.04 -0.04 2.70 2.74 2fv9B1 ILE 325 H -0.38 0.62 -0.06 -0.55 8.25 7.89 2fv9B1 ILE 325 HA -0.10 0.09 0.62 -0.75 4.18 4.03 2fv9B1 ILE 325 HB -0.78 0.02 0.06 -0.04 1.89 1.15 2fv9B1 ILE 325 HG12 -0.13 0.02 -0.05 -0.04 1.49 1.29 2fv9B1 ILE 325 HG13 -0.12 -0.12 0.09 -0.04 1.21 1.02 2fv9B1 ILE 325 HG23 -0.61 0.01 -0.16 -0.04 0.93 0.12 2fv9B1 ILE 325 HD13 0.09 0.00 -0.04 -0.04 0.88 0.89 2fv9B1 ALA 326 H -0.19 0.31 -0.61 -0.55 8.40 7.36 2fv9B1 ALA 326 HA 0.05 -0.02 0.31 -0.75 4.34 3.93 2fv9B1 ALA 326 HB3 -0.06 0.04 0.13 -0.04 1.41 1.48 2fv9B1 GLU 327 H -0.07 0.17 -0.16 -0.55 8.60 7.99 2fv9B1 GLU 327 HA -0.02 0.07 0.35 -0.75 4.29 3.94 2fv9B1 GLU 327 HB2 -0.04 -0.04 0.05 -0.04 2.09 2.02 2fv9B1 GLU 327 HB3 -0.03 0.02 -0.00 -0.04 1.99 1.94 2fv9B1 GLU 327 HG2 -0.03 -0.00 0.03 -0.04 2.34 2.30 2fv9B1 GLU 327 HG3 -0.02 0.02 0.03 -0.04 2.34 2.33 2fv9B1 GLU 328 H -0.07 0.14 -0.16 -0.55 8.60 7.96 2fv9B1 GLU 328 HA -0.06 0.07 0.46 -0.75 4.29 4.00 2fv9B1 GLU 328 HB2 -0.06 0.06 0.11 -0.04 2.09 2.16 2fv9B1 GLU 328 HB3 -0.03 -0.02 -0.01 -0.04 1.99 1.88 2fv9B1 GLU 328 HG2 -0.02 0.02 -0.02 -0.04 2.34 2.28 2fv9B1 GLU 328 HG3 -0.02 -0.03 0.03 -0.04 2.34 2.28 2fv9B1 ALA 329 H -0.14 0.71 -0.07 -0.55 8.40 8.35 2fv9B1 ALA 329 HA -0.13 -0.03 0.22 -0.75 4.34 3.65 2fv9B1 ALA 329 HB3 -0.14 -0.01 -0.07 -0.04 1.41 1.15 2fv9B1 SER 330 H -0.36 0.40 -0.58 -0.55 8.46 7.38 2fv9B1 SER 330 HA -0.98 -0.01 0.33 -0.75 4.49 3.08 2fv9B1 SER 330 HB2 -0.35 -0.08 0.04 -0.04 3.95 3.52 2fv9B1 SER 330 HB3 -0.64 -0.02 0.01 -0.04 3.93 3.24 2fv9B1 LYS 331 H -0.17 0.56 -0.32 -0.55 8.42 7.94 2fv9B1 LYS 331 HA -0.09 0.17 0.85 -0.75 4.32 4.50 2fv9B1 LYS 331 HB2 -0.07 0.05 0.08 -0.04 1.87 1.89 2fv9B1 LYS 331 HB3 -0.05 -0.08 0.12 -0.04 1.79 1.75 2fv9B1 LYS 331 HG2 -0.06 -0.02 -0.04 -0.04 1.46 1.30 2fv9B1 LYS 331 HG3 -0.09 0.07 -0.06 -0.04 1.46 1.34 2fv9B1 LYS 331 HD2 -0.04 -0.03 0.01 -0.04 1.69 1.59 2fv9B1 LYS 331 HD3 -0.03 -0.05 0.00 -0.04 1.68 1.56 2fv9B1 LYS 331 HE2 -0.03 -0.01 -0.02 -0.04 2.99 2.88 2fv9B1 LYS 331 HE3 -0.04 0.06 -0.04 -0.04 2.99 2.94 2fv9B1 VAL 332 H -0.11 0.35 -0.16 -0.55 8.24 7.76 2fv9B1 VAL 332 HA -0.04 0.23 1.02 -0.75 4.13 4.58 2fv9B1 VAL 332 HB -0.03 0.01 -0.00 -0.04 2.12 2.06 2fv9B1 VAL 332 HG13 -0.03 -0.03 -0.24 -0.04 0.97 0.63 2fv9B1 VAL 332 HG23 -0.05 0.01 -0.19 -0.04 0.95 0.68 2fv9B1 CYS 333 H -0.04 0.15 0.22 -0.55 8.50 8.28 2fv9B1 CYS 333 HA -0.02 0.05 0.55 -0.75 4.58 4.41 2fv9B1 CYS 333 HB2 -0.07 0.12 0.23 -0.04 2.97 3.20 2fv9B1 CYS 333 HB3 -0.10 0.23 0.23 -0.04 2.97 3.29 2fv9B1 LEU 334 H -0.02 0.40 0.16 -0.55 8.37 8.36 2fv9B1 LEU 334 HA 0.02 0.36 0.73 -0.75 4.35 4.71 2fv9B1 LEU 334 HB2 0.02 -0.07 -0.16 -0.04 1.64 1.39 2fv9B1 LEU 334 HB3 0.08 -0.04 -0.20 -0.04 1.64 1.44 2fv9B1 LEU 334 HG -0.04 -0.04 -0.50 -0.04 1.64 1.02 2fv9B1 LEU 334 HD13 0.07 -0.02 -0.19 -0.04 0.93 0.75 2fv9B1 LEU 334 HD23 0.05 0.04 -0.27 -0.04 0.89 0.68 2fv9B1 ALA 335 H 0.08 0.68 0.33 -0.55 8.40 8.94 2fv9B1 ALA 335 HA 0.10 0.13 1.01 -0.75 4.34 4.83 2fv9B1 ALA 335 HB3 0.02 -0.01 0.03 -0.04 1.41 1.41 2fv9B1 HIS 336 H 0.20 0.64 0.35 -0.55 8.41 9.06 2fv9B1 HIS 336 HA -0.04 0.30 1.13 -0.75 4.63 5.27 2fv9B1 HIS 336 HB2 0.00 0.00 -0.21 -0.04 3.26 3.01 2fv9B1 HIS 336 HB3 0.01 -0.09 -0.00 -0.04 3.20 3.08 2fv9B1 HIS 336 HD2 -1.89 -0.07 -0.31 -0.04 6.97 4.66 2fv9B1 HIS 336 HE1 -0.09 0.01 -0.29 -0.04 7.75 7.34 2fv9B1 LEU 337 H -0.87 0.66 0.46 -0.55 8.37 8.07 2fv9B1 LEU 337 HA -0.46 0.21 1.00 -0.75 4.35 4.35 2fv9B1 LEU 337 HB2 -2.54 0.01 0.01 -0.04 1.64 -0.92 2fv9B1 LEU 337 HB3 -1.07 0.01 0.19 -0.04 1.64 0.73 2fv9B1 LEU 337 HG -0.42 -0.07 -0.40 -0.04 1.64 0.71 2fv9B1 LEU 337 HD13 -0.23 0.02 -0.12 -0.04 0.93 0.56 2fv9B1 LEU 337 HD23 -0.58 -0.01 -0.10 -0.04 0.89 0.16 2fv9B1 PHE 338 H -0.05 0.92 0.46 -0.55 8.34 9.12 2fv9B1 PHE 338 HA -0.17 0.25 1.08 -0.75 4.62 5.03 2fv9B1 PHE 338 HB2 -0.60 0.00 0.22 -0.04 3.15 2.73 2fv9B1 PHE 338 HB3 -1.13 -0.01 0.05 -0.04 3.06 1.92 2fv9B1 PHE 338 HD2 -0.06 0.05 -0.07 -0.04 7.28 7.16 2fv9B1 PHE 338 HE2 0.08 0.01 -0.11 -0.04 7.38 7.31 2fv9B1 PHE 338 HZ -0.05 0.02 -0.13 -0.04 7.32 7.12 2fv9B1 THR 339 H 0.03 0.69 0.38 -0.55 8.28 8.82 2fv9B1 THR 339 HA 0.17 -0.00 0.92 -0.75 4.39 4.72 2fv9B1 THR 339 HB -0.03 0.04 -0.09 -0.04 4.32 4.20 2fv9B1 THR 339 HG23 0.01 0.03 -0.14 -0.04 1.22 1.08 2fv9B1 TYR 340 H 0.16 0.15 -0.03 -0.55 8.29 8.02 2fv9B1 TYR 340 HA 0.03 0.05 0.81 -0.75 4.56 4.71 2fv9B1 TYR 340 HB2 0.11 -0.02 -0.34 -0.04 3.06 2.78 2fv9B1 TYR 340 HB3 0.10 -0.02 -0.16 -0.04 2.98 2.87 2fv9B1 TYR 340 HD2 -0.13 -0.02 -0.07 -0.04 7.15 6.88 2fv9B1 TYR 340 HE2 -0.29 0.09 -0.14 -0.04 6.85 6.48 2fv9B1 GLN 341 H -0.34 0.25 0.03 -0.55 8.47 7.86 2fv9B1 GLN 341 HA -0.31 0.21 0.66 -0.75 4.36 4.16 2fv9B1 GLN 341 HB2 -0.28 -0.00 -0.15 -0.04 2.15 1.68 2fv9B1 GLN 341 HB3 -0.10 0.18 -0.05 -0.04 2.02 2.02 2fv9B1 GLN 341 HG2 -0.22 -0.18 -0.12 -0.04 2.40 1.84 2fv9B1 GLN 341 HG3 -0.88 0.03 -0.12 -0.04 2.39 1.38 2fv9B1 GLN 341 HE21 -0.00 0.14 -0.02 -0.04 6.97 7.04 2fv9B1 GLN 341 HE22 -0.01 -0.16 -0.06 -0.04 7.69 7.42 2fv9B1 ASP 342 H -0.29 0.18 -0.05 -0.55 8.40 7.69 2fv9B1 ASP 342 HA -0.35 0.28 0.58 -0.75 4.63 4.38 2fv9B1 ASP 342 HB2 -0.24 0.00 -0.06 -0.04 2.71 2.37 2fv9B1 ASP 342 HB3 -0.17 -0.00 0.14 -0.04 2.70 2.63 2fv9B1 PHE 343 H -0.27 0.36 0.19 -0.55 8.34 8.07 2fv9B1 PHE 343 HA -0.02 0.08 0.48 -0.75 4.62 4.40 2fv9B1 PHE 343 HB2 -0.07 0.38 0.14 -0.04 3.15 3.55 2fv9B1 PHE 343 HB3 -0.03 -0.10 0.12 -0.04 3.06 3.01 2fv9B1 PHE 343 HD2 -0.01 0.23 -0.09 -0.04 7.28 7.37 2fv9B1 PHE 343 HE2 -0.00 -0.00 -0.22 -0.04 7.38 7.11 2fv9B1 PHE 343 HZ -0.08 -0.03 -0.16 -0.04 7.32 7.01 2fv9B1 ASP 344 H 0.16 0.10 0.18 -0.55 8.40 8.30 2fv9B1 ASP 344 HA 0.01 0.09 0.55 -0.75 4.63 4.53 2fv9B1 ASP 344 HB2 0.06 -0.03 0.17 -0.04 2.71 2.87 2fv9B1 ASP 344 HB3 0.03 0.06 0.00 -0.04 2.70 2.76 2fv9B1 MET 345 H 0.02 0.16 0.19 -0.55 8.47 8.30 2fv9B1 MET 345 HA 0.06 0.05 0.36 -0.75 4.52 4.23 2fv9B1 MET 345 HB2 0.02 0.15 0.04 -0.04 2.15 2.33 2fv9B1 MET 345 HB3 0.04 0.04 0.18 -0.04 2.03 2.25 2fv9B1 MET 345 HG2 0.03 0.02 0.02 -0.04 2.63 2.67 2fv9B1 MET 345 HG3 0.03 -0.12 -0.29 -0.04 2.56 2.14 2fv9B1 MET 345 HE3 0.01 0.00 -0.03 -0.04 2.10 2.04 2fv9B1 GLY 346 H -0.13 0.13 -0.49 -0.55 8.43 7.40 2fv9B1 GLY 346 HA2 -0.40 -0.03 0.23 -0.51 4.01 3.31 2fv9B1 GLY 346 HA3 -0.01 0.08 0.45 -0.51 4.01 4.01 2fv9B1 THR 347 H 0.02 0.28 -0.30 -0.55 8.28 7.74 2fv9B1 THR 347 HA 0.01 0.10 0.50 -0.75 4.39 4.24 2fv9B1 THR 347 HB 0.02 -0.12 0.06 -0.04 4.32 4.25 2fv9B1 THR 347 HG23 -0.11 -0.02 -0.05 -0.04 1.22 1.00 2fv9B1 LEU 348 H 0.03 0.14 0.26 -0.55 8.37 8.25 2fv9B1 LEU 348 HA 0.18 0.22 1.08 -0.75 4.35 5.07 2fv9B1 LEU 348 HB2 0.04 0.02 0.12 -0.04 1.64 1.78 2fv9B1 LEU 348 HB3 0.08 0.02 0.15 -0.04 1.64 1.84 2fv9B1 LEU 348 HG 0.03 0.12 -0.16 -0.04 1.64 1.58 2fv9B1 LEU 348 HD13 0.05 -0.01 -0.06 -0.04 0.93 0.88 2fv9B1 LEU 348 HD23 0.02 0.03 -0.09 -0.04 0.89 0.80 2fv9B1 GLY 349 H 0.01 0.17 0.21 -0.55 8.43 8.28 2fv9B1 GLY 349 HA2 -0.01 0.05 0.48 -0.51 4.01 4.03 2fv9B1 GLY 349 HA3 0.05 0.14 0.45 -0.51 4.01 4.14 2fv9B1 LEU 350 H -0.09 0.47 0.36 -0.55 8.37 8.57 2fv9B1 LEU 350 HA -0.01 0.15 0.67 -0.75 4.35 4.40 2fv9B1 LEU 350 HB2 -0.21 -0.04 -0.34 -0.04 1.64 1.02 2fv9B1 LEU 350 HB3 -0.23 -0.05 -0.07 -0.04 1.64 1.25 2fv9B1 LEU 350 HG -0.21 0.09 0.00 -0.04 1.64 1.48 2fv9B1 LEU 350 HD13 -0.08 0.01 0.08 -0.04 0.93 0.90 2fv9B1 LEU 350 HD23 -0.15 -0.04 -0.17 -0.04 0.89 0.49 2fv9B1 ALA 351 H -0.11 0.31 0.23 -0.55 8.40 8.28 2fv9B1 ALA 351 HA -0.29 0.11 0.77 -0.75 4.34 4.17 2fv9B1 ALA 351 HB3 0.12 0.03 0.02 -0.04 1.41 1.54 2fv9B1 TYR 352 H -0.07 0.48 0.33 -0.55 8.29 8.47 2fv9B1 TYR 352 HA -0.05 0.05 0.86 -0.75 4.56 4.66 2fv9B1 TYR 352 HB2 -0.01 0.19 0.28 -0.04 3.06 3.47 2fv9B1 TYR 352 HB3 -0.05 0.12 0.17 -0.04 2.98 3.18 2fv9B1 TYR 352 HD2 -0.05 0.02 0.01 -0.04 7.15 7.09 2fv9B1 TYR 352 HE2 -0.06 -0.01 -0.09 -0.04 6.85 6.66 2fv9B1 GLY 353 H 0.11 0.10 0.11 -0.55 8.43 8.21 2fv9B1 GLY 353 HA2 0.06 0.34 -0.04 -0.51 4.01 3.86 2fv9B1 GLY 353 HA3 0.10 0.35 0.80 -0.51 4.01 4.75 2fv9B1 GLY 354 H -0.00 0.01 -0.14 -0.55 8.43 7.74 2fv9B1 GLY 354 HA2 0.03 0.20 0.78 -0.51 4.01 4.51 2fv9B1 GLY 354 HA3 0.07 0.16 0.11 -0.51 4.01 3.83 2fv9B1 SER 355 H -0.01 0.18 -0.00 -0.55 8.46 8.08 2fv9B1 SER 355 HA -0.05 0.12 0.52 -0.75 4.49 4.33 2fv9B1 SER 355 HB2 -0.05 -0.01 0.03 -0.04 3.95 3.88 2fv9B1 SER 355 HB3 -0.13 0.05 -0.19 -0.04 3.93 3.62 2fv9B1 PRO 356 HA -0.02 0.04 0.36 -0.51 4.44 4.31 2fv9B1 PRO 356 HB2 -0.00 0.03 0.06 -0.04 2.28 2.32 2fv9B1 PRO 356 HB3 0.00 -0.01 0.13 -0.04 2.02 2.10 2fv9B1 PRO 356 HG2 0.01 0.07 -0.04 -0.04 2.03 2.02 2fv9B1 PRO 356 HG3 0.02 0.02 0.07 -0.04 2.03 2.09 2fv9B1 PRO 356 HD2 0.04 0.14 0.21 -0.04 3.68 4.02 2fv9B1 PRO 356 HD3 0.03 0.06 0.32 -0.04 3.65 4.02 2fv9B1 ARG 357 H -0.01 0.22 -0.24 -0.55 8.46 7.87 2fv9B1 ARG 357 HA -0.01 0.15 0.71 -0.75 4.34 4.44 2fv9B1 ALA 358 H 0.01 0.02 0.10 -0.55 8.40 7.98 2fv9B1 ALA 358 HA 0.02 0.16 0.41 -0.75 4.34 4.18 2fv9B1 ALA 358 HB3 0.02 -0.01 0.14 -0.04 1.41 1.52 2fv9B1 ASN 359 H 0.01 0.55 0.36 -0.55 8.53 8.91 2fv9B1 ASN 359 HA -0.02 0.13 0.44 -0.75 4.76 4.56 2fv9B1 ASN 359 HB2 -0.03 0.02 -0.06 -0.04 2.88 2.78 2fv9B1 ASN 359 HB3 -0.04 -0.01 0.19 -0.04 2.79 2.88 2fv9B1 ASN 359 HD21 -0.04 0.30 0.15 -0.04 7.03 7.40 2fv9B1 ASN 359 HD22 -0.05 0.03 0.07 -0.04 7.74 7.75 2fv9B1 SER 360 H -0.01 0.22 -0.30 -0.55 8.46 7.83 2fv9B1 SER 360 HA -0.12 0.04 0.46 -0.75 4.49 4.11 2fv9B1 SER 360 HB2 -0.02 0.07 -0.25 -0.04 3.95 3.70 2fv9B1 SER 360 HB3 -0.00 -0.03 -0.13 -0.04 3.93 3.72 2fv9B1 HIS 361 H -0.14 -0.01 0.12 -0.55 8.41 7.84 2fv9B1 HIS 361 HA 0.05 0.09 0.39 -0.75 4.63 4.40 2fv9B1 HIS 361 HB2 -0.17 -0.05 0.10 -0.04 3.26 3.10 2fv9B1 HIS 361 HB3 -0.35 -0.02 0.04 -0.04 3.20 2.83 2fv9B1 HIS 361 HD2 -0.04 0.00 0.11 -0.04 6.97 7.00 2fv9B1 HIS 361 HE1 0.09 -0.01 0.02 -0.04 7.75 7.81 2fv9B1 GLY 362 H 0.14 0.06 0.15 -0.55 8.43 8.22 2fv9B1 GLY 362 HA2 0.04 -0.10 0.25 -0.51 4.01 3.69 2fv9B1 GLY 362 HA3 0.01 -0.03 0.56 -0.51 4.01 4.04 2fv9B1 GLY 363 H 0.13 0.34 0.27 -0.55 8.43 8.63 2fv9B1 GLY 363 HA2 0.09 -0.08 0.50 -0.51 4.01 4.01 2fv9B1 GLY 363 HA3 0.05 0.30 0.91 -0.51 4.01 4.76 2fv9B1 VAL 364 H -0.06 0.45 0.19 -0.55 8.24 8.27 2fv9B1 VAL 364 HA -0.03 0.04 0.28 -0.75 4.13 3.67 2fv9B1 VAL 364 HB 0.02 -0.08 -0.04 -0.04 2.12 1.98 2fv9B1 VAL 364 HG13 -0.55 0.01 -0.14 -0.04 0.97 0.25 2fv9B1 VAL 364 HG23 -0.16 0.03 -0.07 -0.04 0.95 0.71 2fv9B1 CYS 365 H 0.01 0.17 0.24 -0.55 8.50 8.37 2fv9B1 CYS 365 HA 0.02 0.01 0.44 -0.75 4.58 4.30 2fv9B1 CYS 365 HB2 0.01 0.28 0.19 -0.04 2.97 3.41 2fv9B1 CYS 365 HB3 0.02 0.03 -0.04 -0.04 2.97 2.93 2fv9B1 PRO 366 HA 0.15 -0.12 0.45 -0.51 4.44 4.41 2fv9B1 PRO 366 HB2 -0.26 -0.12 -0.02 -0.04 2.28 1.84 2fv9B1 PRO 366 HB3 -0.20 0.23 0.11 -0.04 2.02 2.12 2fv9B1 PRO 366 HG2 -0.03 -0.07 0.10 -0.04 2.03 2.00 2fv9B1 PRO 366 HG3 -0.11 0.17 -0.04 -0.04 2.03 2.00 2fv9B1 PRO 366 HD2 -0.00 -0.01 0.13 -0.04 3.68 3.76 2fv9B1 PRO 366 HD3 -0.03 0.46 0.19 -0.04 3.65 4.24 2fv9B1 LYS 367 H 0.37 0.13 0.19 -0.55 8.42 8.55 2fv9B1 LYS 367 HA 0.10 0.10 0.68 -0.75 4.32 4.44 2fv9B1 LYS 367 HB2 0.06 0.16 -0.05 -0.04 1.87 2.00 2fv9B1 LYS 367 HB3 0.19 -0.06 0.09 -0.04 1.79 1.97 2fv9B1 LYS 367 HG2 -0.42 0.08 -0.25 -0.04 1.46 0.82 2fv9B1 LYS 367 HG3 -0.12 -0.04 0.06 -0.04 1.46 1.32 2fv9B1 LYS 367 HD2 -0.04 0.04 -0.00 -0.04 1.69 1.65 2fv9B1 LYS 367 HD3 0.02 -0.03 -0.01 -0.04 1.68 1.62 2fv9B1 LYS 367 HE2 -0.10 -0.03 0.00 -0.04 2.99 2.83 2fv9B1 LYS 367 HE3 -0.58 -0.03 -0.02 -0.04 2.99 2.32 2fv9B1 ALA 368 H -0.02 0.13 0.09 -0.55 8.40 8.05 2fv9B1 ALA 368 HA -0.64 0.24 0.59 -0.75 4.34 3.77 2fv9B1 ALA 368 HB3 -0.18 -0.02 0.03 -0.04 1.41 1.21 2fv9B1 TYR 369 H -0.16 0.52 0.35 -0.55 8.29 8.45 2fv9B1 TYR 369 HA -0.08 0.12 0.75 -0.75 4.56 4.60 2fv9B1 TYR 369 HB2 -0.17 -0.02 0.05 -0.04 3.06 2.88 2fv9B1 TYR 369 HB3 -0.13 -0.00 -0.04 -0.04 2.98 2.76 2fv9B1 TYR 369 HD2 -0.14 0.05 -0.02 -0.04 7.15 7.00 2fv9B1 TYR 369 HE2 0.04 0.02 0.02 -0.04 6.85 6.89 2fv9B1 TYR 370 H 0.11 0.17 0.06 -0.55 8.29 8.07 2fv9B1 TYR 370 HA -0.04 0.06 0.43 -0.75 4.56 4.25 2fv9B1 TYR 370 HB2 -0.05 0.01 -0.00 -0.04 3.06 2.98 2fv9B1 TYR 370 HB3 -0.03 -0.00 0.06 -0.04 2.98 2.97 2fv9B1 TYR 370 HD2 -0.02 -0.04 -0.27 -0.04 7.15 6.77 2fv9B1 TYR 370 HE2 -0.00 0.03 -0.25 -0.04 6.85 6.59 2fv9B1 SER 371 H -0.45 0.61 0.23 -0.55 8.46 8.30 2fv9B1 SER 371 HA -0.15 0.18 0.75 -0.75 4.49 4.52 2fv9B1 SER 371 HB2 -0.10 0.11 0.06 -0.04 3.95 3.98 2fv9B1 SER 371 HB3 -0.15 0.08 0.22 -0.04 3.93 4.05 2fv9B1 PRO 372 HA 0.10 0.09 0.37 -0.51 4.44 4.49 2fv9B1 PRO 372 HB2 -0.00 -0.04 0.08 -0.04 2.28 2.29 2fv9B1 PRO 372 HB3 0.07 0.06 0.05 -0.04 2.02 2.16 2fv9B1 PRO 372 HG2 0.04 0.04 0.07 -0.04 2.03 2.15 2fv9B1 PRO 372 HG3 0.19 0.06 0.02 -0.04 2.03 2.25 2fv9B1 PRO 372 HD2 -0.05 0.03 0.24 -0.04 3.68 3.86 2fv9B1 PRO 372 HD3 -0.00 0.67 0.28 -0.04 3.65 4.56 2fv9B1 VAL 373 H -0.09 0.10 -0.14 -0.55 8.24 7.56 2fv9B1 VAL 373 HA -0.05 0.13 0.45 -0.75 4.13 3.90 2fv9B1 VAL 373 HB -0.12 -0.04 0.01 -0.04 2.12 1.93 2fv9B1 VAL 373 HG13 -0.11 0.01 -0.09 -0.04 0.97 0.74 2fv9B1 VAL 373 HG23 -0.05 -0.00 0.01 -0.04 0.95 0.87 2fv9B1 GLY 374 H -0.16 -0.03 -0.33 -0.55 8.43 7.37 2fv9B1 GLY 374 HA2 -0.21 0.08 0.44 -0.51 4.01 3.81 2fv9B1 GLY 374 HA3 -0.01 -0.01 0.29 -0.51 4.01 3.77 2fv9B1 LYS 375 H -0.17 0.29 -0.43 -0.55 8.42 7.55 2fv9B1 LYS 375 HA 0.04 -0.01 0.25 -0.75 4.32 3.85 2fv9B1 LYS 375 HB2 0.06 0.17 -0.09 -0.04 1.87 1.97 2fv9B1 LYS 375 HB3 0.09 -0.09 0.20 -0.04 1.79 1.95 2fv9B1 LYS 375 HG2 0.07 -0.03 0.03 -0.04 1.46 1.48 2fv9B1 LYS 375 HG3 0.01 0.14 -0.24 -0.04 1.46 1.32 2fv9B1 LYS 375 HD2 0.04 0.01 -0.06 -0.04 1.69 1.63 2fv9B1 LYS 375 HD3 0.05 -0.06 -0.00 -0.04 1.68 1.63 2fv9B1 LYS 375 HE2 0.03 -0.04 0.00 -0.04 2.99 2.95 2fv9B1 LYS 375 HE3 0.01 0.07 0.00 -0.04 2.99 3.03 2fv9B1 LYS 376 H -0.33 0.21 -0.30 -0.55 8.42 7.45 2fv9B1 LYS 376 HA 0.10 0.05 0.44 -0.75 4.32 4.15 2fv9B1 LYS 376 HB2 0.01 -0.08 0.14 -0.04 1.87 1.90 2fv9B1 LYS 376 HB3 0.05 0.16 -0.28 -0.04 1.79 1.68 2fv9B1 LYS 376 HG2 0.16 -0.04 -0.16 -0.04 1.46 1.38 2fv9B1 LYS 376 HG3 -0.05 0.20 -0.47 -0.04 1.46 1.11 2fv9B1 LYS 376 HD2 -0.11 -0.05 0.01 -0.04 1.69 1.50 2fv9B1 LYS 376 HD3 -0.14 -0.02 -0.01 -0.04 1.68 1.46 2fv9B1 LYS 376 HE2 -1.26 -0.10 0.03 -0.04 2.99 1.63 2fv9B1 LYS 376 HE3 -0.35 0.08 0.09 -0.04 2.99 2.77 2fv9B1 ASN 377 H 0.03 0.13 0.11 -0.55 8.53 8.25 2fv9B1 ASN 377 HA -0.08 0.06 0.52 -0.75 4.76 4.49 2fv9B1 ASN 377 HB2 -0.05 0.02 0.04 -0.04 2.88 2.84 2fv9B1 ASN 377 HB3 -0.26 0.03 -0.01 -0.04 2.79 2.51 2fv9B1 ASN 377 HD21 0.03 0.01 -0.04 -0.04 7.03 6.99 2fv9B1 ASN 377 HD22 0.02 0.04 -0.02 -0.04 7.74 7.74 2fv9B1 ILE 378 H -0.22 0.47 0.37 -0.55 8.25 8.32 2fv9B1 ILE 378 HA -0.09 0.16 0.72 -0.75 4.18 4.22 2fv9B1 ILE 378 HB -0.02 0.02 -0.03 -0.04 1.89 1.82 2fv9B1 ILE 378 HG12 -0.06 -0.10 -0.08 -0.04 1.49 1.21 2fv9B1 ILE 378 HG13 -0.09 0.29 0.11 -0.04 1.21 1.48 2fv9B1 ILE 378 HG23 0.04 0.02 -0.23 -0.04 0.93 0.72 2fv9B1 ILE 378 HD13 -0.13 -0.01 -0.48 -0.04 0.88 0.22 2fv9B1 TYR 379 H 0.10 0.28 0.15 -0.55 8.29 8.27 2fv9B1 TYR 379 HA 0.10 0.32 1.01 -0.75 4.56 5.24 2fv9B1 TYR 379 HB2 -0.03 -0.00 -0.05 -0.04 3.06 2.94 2fv9B1 TYR 379 HB3 0.03 -0.00 0.02 -0.04 2.98 2.99 2fv9B1 TYR 379 HD2 -0.01 -0.10 -0.22 -0.04 7.15 6.78 2fv9B1 TYR 379 HE2 -0.02 -0.00 -0.27 -0.04 6.85 6.51 2fv9B1 LEU 380 H 0.12 0.32 0.14 -0.55 8.37 8.41 2fv9B1 LEU 380 HA -0.00 0.16 0.84 -0.75 4.35 4.59 2fv9B1 LEU 380 HB2 -0.25 0.07 0.13 -0.04 1.64 1.55 2fv9B1 LEU 380 HB3 -0.42 -0.02 0.18 -0.04 1.64 1.34 2fv9B1 LEU 380 HG -0.52 -0.00 -0.19 -0.04 1.64 0.88 2fv9B1 LEU 380 HD13 -1.03 0.00 -0.08 -0.04 0.93 -0.22 2fv9B1 LEU 380 HD23 -0.80 0.02 -0.13 -0.04 0.89 -0.06 2fv9B1 ASN 381 H 0.15 0.07 -0.34 -0.55 8.53 7.86 2fv9B1 ASN 381 HA 0.11 0.30 0.69 -0.75 4.76 5.11 2fv9B1 ASN 381 HB2 0.05 0.19 0.10 -0.04 2.88 3.18 2fv9B1 ASN 381 HB3 0.09 0.15 -0.17 -0.04 2.79 2.82 2fv9B1 ASN 381 HD21 -0.09 0.28 -0.01 -0.04 7.03 7.16 2fv9B1 ASN 381 HD22 -0.02 0.28 -0.18 -0.04 7.74 7.79 2fv9B1 SER 382 H 0.22 0.35 -0.31 -0.55 8.46 8.17 2fv9B1 SER 382 HA 0.12 0.31 0.89 -0.75 4.49 5.05 2fv9B1 SER 382 HB2 0.18 -0.07 0.04 -0.04 3.95 4.06 2fv9B1 SER 382 HB3 0.05 0.04 -0.17 -0.04 3.93 3.81 2fv9B1 GLY 383 H 0.00 0.45 0.43 -0.55 8.43 8.77 2fv9B1 GLY 383 HA2 -0.22 0.08 0.68 -0.51 4.01 4.05 2fv9B1 GLY 383 HA3 -0.02 0.07 0.45 -0.51 4.01 4.00 2fv9B1 LEU 384 H -0.27 0.66 0.47 -0.55 8.37 8.68 2fv9B1 LEU 384 HA -1.03 0.19 1.05 -0.75 4.35 3.80 2fv9B1 LEU 384 HB2 -0.36 0.05 0.11 -0.04 1.64 1.40 2fv9B1 LEU 384 HB3 -0.50 -0.03 -0.06 -0.04 1.64 1.00 2fv9B1 LEU 384 HG -0.26 0.01 0.15 -0.04 1.64 1.51 2fv9B1 LEU 384 HD13 -0.09 -0.01 -0.32 -0.04 0.93 0.47 2fv9B1 LEU 384 HD23 -0.24 -0.00 -0.13 -0.04 0.89 0.47 2fv9B1 THR 385 H -0.43 0.73 0.48 -0.55 8.28 8.50 2fv9B1 THR 385 HA 0.03 0.22 1.04 -0.75 4.39 4.94 2fv9B1 THR 385 HB -0.28 -0.04 0.08 -0.04 4.32 4.04 2fv9B1 THR 385 HG23 0.23 -0.00 -0.16 -0.04 1.22 1.24 2fv9B1 SER 386 H 0.13 0.74 0.42 -0.55 8.46 9.20 2fv9B1 SER 386 HA 0.12 0.21 1.01 -0.75 4.49 5.07 2fv9B1 SER 386 HB2 0.10 -0.10 -0.01 -0.04 3.95 3.90 2fv9B1 SER 386 HB3 0.13 0.15 0.24 -0.04 3.93 4.41 2fv9B1 THR 387 H 0.22 0.29 0.25 -0.55 8.28 8.49 2fv9B1 THR 387 HA 0.15 0.24 0.94 -0.75 4.39 4.96 2fv9B1 THR 387 HB 0.22 0.02 0.19 -0.04 4.32 4.71 2fv9B1 THR 387 HG23 0.43 0.01 -0.11 -0.04 1.22 1.50 2fv9B1 LYS 388 H -0.19 0.14 -0.18 -0.55 8.42 7.63 2fv9B1 LYS 388 HA -0.24 0.41 0.94 -0.75 4.32 4.67 2fv9B1 LYS 388 HB2 -2.06 -0.01 -0.28 -0.04 1.87 -0.52 2fv9B1 LYS 388 HB3 -0.71 -0.09 -0.41 -0.04 1.79 0.54 2fv9B1 LYS 388 HG2 -0.37 -0.13 -0.42 -0.04 1.46 0.50 2fv9B1 LYS 388 HG3 -0.44 0.16 -0.35 -0.04 1.46 0.79 2fv9B1 LYS 388 HD2 -0.86 0.10 -0.25 -0.04 1.69 0.64 2fv9B1 LYS 388 HD3 -0.53 -0.19 -0.31 -0.04 1.68 0.61 2fv9B1 LYS 388 HE2 -0.21 -0.17 -0.11 -0.04 2.99 2.46 2fv9B1 LYS 388 HE3 -0.18 0.15 -0.18 -0.04 2.99 2.74 2fv9B1 ASN 389 H -0.12 0.76 0.10 -0.55 8.53 8.72 2fv9B1 ASN 389 HA -0.24 0.00 0.52 -0.75 4.76 4.29 2fv9B1 ASN 389 HB2 -0.06 0.12 -0.39 -0.04 2.88 2.51 2fv9B1 ASN 389 HB3 0.03 -0.00 -0.12 -0.04 2.79 2.65 2fv9B1 ASN 389 HD21 0.09 0.02 -0.03 -0.04 7.03 7.08 2fv9B1 ASN 389 HD22 0.14 -0.03 -0.10 -0.04 7.74 7.71 2fv9B1 TYR 390 H -0.41 0.16 0.09 -0.55 8.29 7.58 2fv9B1 TYR 390 HA -0.03 0.03 0.34 -0.75 4.56 4.15 2fv9B1 TYR 390 HB2 -0.01 0.15 -0.04 -0.04 3.06 3.12 2fv9B1 TYR 390 HB3 -0.01 0.03 0.18 -0.04 2.98 3.14 2fv9B1 TYR 390 HD2 -0.00 0.03 -0.08 -0.04 7.15 7.05 2fv9B1 TYR 390 HE2 0.01 0.02 -0.03 -0.04 6.85 6.81 2fv9B1 GLY 391 H -0.07 -0.00 -0.22 -0.55 8.43 7.59 2fv9B1 GLY 391 HA2 -0.06 -0.03 0.24 -0.51 4.01 3.65 2fv9B1 GLY 391 HA3 -0.00 0.08 0.27 -0.51 4.01 3.85 2fv9B1 LYS 392 H 0.01 0.53 -0.62 -0.55 8.42 7.79 2fv9B1 LYS 392 HA 0.03 0.19 0.97 -0.75 4.32 4.76 2fv9B1 LYS 392 HB2 0.05 0.06 -0.01 -0.04 1.87 1.94 2fv9B1 LYS 392 HB3 0.04 0.06 0.05 -0.04 1.79 1.90 2fv9B1 LYS 392 HG2 0.03 -0.01 -0.01 -0.04 1.46 1.42 2fv9B1 LYS 392 HG3 0.04 0.05 -0.16 -0.04 1.46 1.34 2fv9B1 LYS 392 HD2 0.04 0.01 0.01 -0.04 1.69 1.70 2fv9B1 LYS 392 HD3 0.03 -0.02 0.00 -0.04 1.68 1.65 2fv9B1 LYS 392 HE2 0.02 -0.02 -0.00 -0.04 2.99 2.95 2fv9B1 LYS 392 HE3 0.02 0.02 -0.00 -0.04 2.99 2.99 2fv9B1 THR 393 H 0.08 0.14 0.16 -0.55 8.28 8.11 2fv9B1 THR 393 HA 0.19 0.19 0.77 -0.75 4.39 4.79 2fv9B1 THR 393 HB 0.07 -0.06 0.16 -0.04 4.32 4.46 2fv9B1 THR 393 HG23 0.10 0.07 0.00 -0.04 1.22 1.35 2fv9B1 ILE 394 H 0.10 0.57 0.18 -0.55 8.25 8.55 2fv9B1 ILE 394 HA 0.07 0.06 0.40 -0.75 4.18 3.95 2fv9B1 ILE 394 HB 0.08 -0.09 0.05 -0.04 1.89 1.88 2fv9B1 ILE 394 HG12 0.13 0.06 0.07 -0.04 1.49 1.71 2fv9B1 ILE 394 HG13 0.13 0.13 -0.29 -0.04 1.21 1.14 2fv9B1 ILE 394 HG23 0.04 0.03 -0.28 -0.04 0.93 0.67 2fv9B1 ILE 394 HD13 0.12 0.00 -0.06 -0.04 0.88 0.89 2fv9B1 LEU 395 H 0.07 0.09 0.14 -0.55 8.37 8.11 2fv9B1 LEU 395 HA 0.07 0.16 0.45 -0.75 4.35 4.28 2fv9B1 LEU 395 HB2 0.05 -0.03 0.12 -0.04 1.64 1.73 2fv9B1 LEU 395 HB3 0.04 -0.07 0.12 -0.04 1.64 1.69 2fv9B1 LEU 395 HG 0.04 0.01 0.10 -0.04 1.64 1.75 2fv9B1 LEU 395 HD13 0.02 0.02 0.02 -0.04 0.93 0.95 2fv9B1 LEU 395 HD23 0.03 0.03 0.02 -0.04 0.89 0.93 2fv9B1 THR 396 H 0.07 0.20 0.19 -0.55 8.28 8.19 2fv9B1 THR 396 HA 0.15 0.13 0.47 -0.75 4.39 4.39 2fv9B1 THR 396 HB 0.03 -0.03 0.14 -0.04 4.32 4.43 2fv9B1 THR 396 HG23 -0.05 0.02 -0.10 -0.04 1.22 1.04 2fv9B1 LYS 397 H 0.04 0.09 -0.09 -0.55 8.42 7.91 2fv9B1 LYS 397 HA 0.02 0.11 0.35 -0.75 4.32 4.06 2fv9B1 LYS 397 HB2 0.01 0.10 0.04 -0.04 1.87 1.98 2fv9B1 LYS 397 HB3 0.01 0.00 0.07 -0.04 1.79 1.83 2fv9B1 LYS 397 HG2 0.02 -0.17 0.01 -0.04 1.46 1.28 2fv9B1 LYS 397 HG3 0.02 0.14 -0.21 -0.04 1.46 1.37 2fv9B1 LYS 397 HD2 -0.01 0.10 -0.09 -0.04 1.69 1.65 2fv9B1 LYS 397 HD3 -0.00 -0.02 -0.03 -0.04 1.68 1.58 2fv9B1 LYS 397 HE2 0.00 -0.07 -0.04 -0.04 2.99 2.84 2fv9B1 LYS 397 HE3 0.00 0.19 -0.09 -0.04 2.99 3.05 2fv9B1 GLU 398 H 0.06 0.04 -0.55 -0.55 8.60 7.60 2fv9B1 GLU 398 HA 0.05 0.18 0.46 -0.75 4.29 4.23 2fv9B1 GLU 398 HB2 0.08 0.09 0.06 -0.04 2.09 2.27 2fv9B1 GLU 398 HB3 0.06 0.03 0.01 -0.04 1.99 2.05 2fv9B1 GLU 398 HG2 0.04 0.22 0.05 -0.04 2.34 2.62 2fv9B1 GLU 398 HG3 0.04 -0.14 0.03 -0.04 2.34 2.24 2fv9B1 ALA 399 H 0.12 0.49 -0.10 -0.55 8.40 8.36 2fv9B1 ALA 399 HA 0.17 0.02 0.35 -0.75 4.34 4.13 2fv9B1 ALA 399 HB3 0.26 0.03 0.06 -0.04 1.41 1.73 2fv9B1 ASP 400 H 0.09 0.53 -0.23 -0.55 8.40 8.23 2fv9B1 ASP 400 HA 0.09 -0.00 0.37 -0.75 4.63 4.33 2fv9B1 ASP 400 HB2 0.04 0.15 0.04 -0.04 2.71 2.89 2fv9B1 ASP 400 HB3 0.04 0.01 -0.08 -0.04 2.70 2.63 2fv9B1 LEU 401 H 0.06 0.30 -0.45 -0.55 8.37 7.73 2fv9B1 LEU 401 HA 0.04 0.05 0.47 -0.75 4.35 4.16 2fv9B1 LEU 401 HB2 0.04 0.11 0.13 -0.04 1.64 1.88 2fv9B1 LEU 401 HB3 0.03 0.02 0.00 -0.04 1.64 1.65 2fv9B1 LEU 401 HG 0.03 0.28 0.07 -0.04 1.64 1.97 2fv9B1 LEU 401 HD13 0.01 -0.03 -0.23 -0.04 0.93 0.64 2fv9B1 LEU 401 HD23 -0.01 0.02 -0.14 -0.04 0.89 0.73 2fv9B1 VAL 402 H 0.09 0.51 -0.07 -0.55 8.24 8.21 2fv9B1 VAL 402 HA 0.06 0.04 0.35 -0.75 4.13 3.83 2fv9B1 VAL 402 HB 0.13 0.06 0.14 -0.04 2.12 2.42 2fv9B1 VAL 402 HG13 0.09 -0.00 -0.14 -0.04 0.97 0.88 2fv9B1 VAL 402 HG23 0.07 0.08 0.01 -0.04 0.95 1.07 2fv9B1 THR 403 H 0.14 0.53 -0.19 -0.55 8.28 8.21 2fv9B1 THR 403 HA 0.06 -0.01 0.28 -0.75 4.39 3.96 2fv9B1 THR 403 HB 0.14 0.13 0.03 -0.04 4.32 4.58 2fv9B1 THR 403 HG23 -0.08 -0.02 -0.19 -0.04 1.22 0.89 2fv9B1 THR 404 H 0.12 0.55 -0.21 -0.55 8.28 8.19 2fv9B1 THR 404 HA 0.30 -0.01 0.33 -0.75 4.39 4.25 2fv9B1 THR 404 HB 0.04 0.10 0.10 -0.04 4.32 4.52 2fv9B1 THR 404 HG23 -0.09 -0.01 -0.15 -0.04 1.22 0.93 2fv9B1 HIS 405 H 0.19 0.59 -0.28 -0.55 8.41 8.37 2fv9B1 HIS 405 HA 0.05 -0.01 0.28 -0.75 4.63 4.19 2fv9B1 HIS 405 HB2 0.02 0.14 0.09 -0.04 3.26 3.46 2fv9B1 HIS 405 HB3 0.06 0.09 0.16 -0.04 3.20 3.47 2fv9B1 HIS 405 HD2 0.16 -0.07 -0.37 -0.04 6.97 6.64 2fv9B1 HIS 405 HE1 -0.03 0.02 -0.33 -0.04 7.75 7.36 2fv9B1 GLU 406 H 0.24 0.67 -0.06 -0.55 8.60 8.90 2fv9B1 GLU 406 HA 0.30 0.01 0.35 -0.75 4.29 4.20 2fv9B1 GLU 406 HB2 0.23 0.04 -0.01 -0.04 2.09 2.31 2fv9B1 GLU 406 HB3 0.23 -0.06 -0.12 -0.04 1.99 2.00 2fv9B1 GLU 406 HG2 0.20 0.32 -0.03 -0.04 2.34 2.79 2fv9B1 GLU 406 HG3 0.14 0.11 0.00 -0.04 2.34 2.56 2fv9B1 LEU 407 H 0.15 0.66 -0.25 -0.55 8.37 8.38 2fv9B1 LEU 407 HA 0.20 0.00 0.33 -0.75 4.35 4.13 2fv9B1 LEU 407 HB2 0.21 0.16 0.03 -0.04 1.64 1.99 2fv9B1 LEU 407 HB3 0.05 -0.04 -0.09 -0.04 1.64 1.52 2fv9B1 LEU 407 HG -0.09 0.14 -0.04 -0.04 1.64 1.61 2fv9B1 LEU 407 HD13 -0.10 -0.03 -0.16 -0.04 0.93 0.61 2fv9B1 LEU 407 HD23 0.02 -0.02 -0.16 -0.04 0.89 0.69 2fv9B1 GLY 408 H 0.23 0.36 -0.52 -0.55 8.43 7.95 2fv9B1 GLY 408 HA2 0.26 -0.00 0.33 -0.51 4.01 4.09 2fv9B1 GLY 408 HA3 0.24 0.06 0.21 -0.51 4.01 4.01 2fv9B1 HIS 409 H -0.00 0.40 -0.27 -0.55 8.41 8.00 2fv9B1 HIS 409 HA 0.05 0.34 0.32 -0.75 4.63 4.58 2fv9B1 HIS 409 HB2 0.06 0.13 -0.01 -0.04 3.26 3.41 2fv9B1 HIS 409 HB3 0.04 -0.13 -0.35 -0.04 3.20 2.71 2fv9B1 HIS 409 HD2 0.13 -0.11 -0.10 -0.04 6.97 6.85 2fv9B1 HIS 409 HE1 -0.31 -0.14 -0.17 -0.04 7.75 7.09 2fv9B1 ASN 410 H 0.24 0.32 -0.33 -0.55 8.53 8.21 2fv9B1 ASN 410 HA 0.14 0.29 0.60 -0.75 4.76 5.04 2fv9B1 ASN 410 HB2 0.27 0.12 0.15 -0.04 2.88 3.38 2fv9B1 ASN 410 HB3 0.12 -0.10 -0.06 -0.04 2.79 2.72 2fv9B1 ASN 410 HD21 0.11 0.03 0.08 -0.04 7.03 7.20 2fv9B1 ASN 410 HD22 0.14 0.56 0.20 -0.04 7.74 8.60 2fv9B1 PHE 411 H 0.42 0.45 -0.32 -0.55 8.34 8.34 2fv9B1 PHE 411 HA 0.00 0.04 0.58 -0.75 4.62 4.49 2fv9B1 PHE 411 HB2 0.01 0.07 0.11 -0.04 3.15 3.30 2fv9B1 PHE 411 HB3 -0.19 -0.08 0.15 -0.04 3.06 2.90 2fv9B1 PHE 411 HD2 -0.10 0.13 -0.03 -0.04 7.28 7.24 2fv9B1 PHE 411 HE2 0.02 -0.04 -0.13 -0.04 7.38 7.19 2fv9B1 PHE 411 HZ -0.20 0.04 -0.15 -0.04 7.32 6.97 2fv9B1 GLY 412 H 0.13 0.44 -0.91 -0.55 8.43 7.54 2fv9B1 GLY 412 HA2 0.05 0.23 0.26 -0.51 4.01 4.04 2fv9B1 GLY 412 HA3 0.01 0.08 0.61 -0.51 4.01 4.21 2fv9B1 ALA 413 H 0.09 0.51 -0.13 -0.55 8.40 8.32 2fv9B1 ALA 413 HA 0.06 -0.01 0.57 -0.75 4.34 4.21 2fv9B1 ALA 413 HB3 0.07 0.00 -0.03 -0.04 1.41 1.41 2fv9B1 GLU 414 H 0.08 0.04 0.15 -0.55 8.60 8.32 2fv9B1 GLU 414 HA 0.12 0.21 0.74 -0.75 4.29 4.60 2fv9B1 GLU 414 HB2 -0.01 -0.03 0.15 -0.04 2.09 2.17 2fv9B1 GLU 414 HB3 0.03 0.02 -0.02 -0.04 1.99 1.98 2fv9B1 GLU 414 HG2 0.06 -0.08 0.04 -0.04 2.34 2.32 2fv9B1 GLU 414 HG3 0.07 0.24 -0.11 -0.04 2.34 2.50 2fv9B1 HIS 415 H -0.01 0.07 0.09 -0.55 8.41 8.02 2fv9B1 HIS 415 HA 0.11 0.27 0.51 -0.75 4.63 4.77 2fv9B1 HIS 415 HB2 0.06 -0.09 0.09 -0.04 3.26 3.29 2fv9B1 HIS 415 HB3 0.03 0.09 0.13 -0.04 3.20 3.41 2fv9B1 HIS 415 HD2 0.22 0.09 -0.18 -0.04 6.97 7.06 2fv9B1 HIS 415 HE1 0.11 -0.06 0.01 -0.04 7.75 7.78 2fv9B1 ASP 416 H 0.20 0.41 0.04 -0.55 8.40 8.50 2fv9B1 ASP 416 HA 0.15 0.01 0.52 -0.75 4.63 4.55 2fv9B1 ASP 416 HB2 0.33 -0.05 -0.04 -0.04 2.71 2.91 2fv9B1 ASP 416 HB3 0.26 0.17 0.04 -0.04 2.70 3.12 2fv9B1 PRO 417 HA 0.08 0.03 0.40 -0.51 4.44 4.43 2fv9B1 PRO 417 HB2 0.11 0.00 -0.10 -0.04 2.28 2.25 2fv9B1 PRO 417 HB3 0.08 0.03 0.06 -0.04 2.02 2.13 2fv9B1 PRO 417 HG2 0.08 -0.06 0.04 -0.04 2.03 2.05 2fv9B1 PRO 417 HG3 0.08 0.10 0.04 -0.04 2.03 2.21 2fv9B1 PRO 417 HD2 0.14 -0.02 0.08 -0.04 3.68 3.84 2fv9B1 PRO 417 HD3 0.11 0.15 0.20 -0.04 3.65 4.06 2fv9B1 ASP 418 H 0.07 0.03 0.10 -0.55 8.40 8.06 2fv9B1 ASP 418 HA 0.35 0.19 0.59 -0.75 4.63 5.00 2fv9B1 ASP 418 HB2 0.11 -0.10 0.15 -0.04 2.71 2.83 2fv9B1 ASP 418 HB3 -0.03 0.04 0.09 -0.04 2.70 2.76 2fv9B1 GLY 419 H 0.23 0.05 0.12 -0.55 8.43 8.28 2fv9B1 GLY 419 HA2 0.06 -0.03 0.32 -0.51 4.01 3.85 2fv9B1 GLY 419 HA3 0.06 0.03 0.40 -0.51 4.01 4.00 2fv9B1 LEU 420 H 0.03 0.08 0.16 -0.55 8.37 8.10 2fv9B1 LEU 420 HA 0.00 0.44 0.84 -0.75 4.35 4.87 2fv9B1 LEU 420 HB2 -0.00 -0.07 0.04 -0.04 1.64 1.56 2fv9B1 LEU 420 HB3 0.01 -0.02 0.11 -0.04 1.64 1.70 2fv9B1 LEU 420 HG 0.01 0.03 -0.17 -0.04 1.64 1.47 2fv9B1 LEU 420 HD13 -0.03 0.05 0.01 -0.04 0.93 0.92 2fv9B1 LEU 420 HD23 -0.00 -0.02 -0.03 -0.04 0.89 0.80 2fv9B1 ALA 421 H 0.03 0.48 0.04 -0.55 8.40 8.41 2fv9B1 ALA 421 HA 0.04 0.12 0.40 -0.75 4.34 4.15 2fv9B1 ALA 421 HB3 0.07 0.04 -0.09 -0.04 1.41 1.39 2fv9B1 GLU 422 H 0.05 0.21 0.13 -0.55 8.60 8.44 2fv9B1 GLU 422 HA 0.06 0.13 0.45 -0.75 4.29 4.17 2fv9B1 GLU 422 HB2 0.03 0.04 0.13 -0.04 2.09 2.26 2fv9B1 GLU 422 HB3 0.04 -0.02 0.13 -0.04 1.99 2.09 2fv9B1 GLU 422 HG2 0.04 -0.04 -0.08 -0.04 2.34 2.21 2fv9B1 GLU 422 HG3 0.03 0.04 0.08 -0.04 2.34 2.46 2fv9B1 CYS 423 H 0.09 0.06 -0.28 -0.55 8.50 7.82 2fv9B1 CYS 423 HA 0.16 0.14 0.82 -0.75 4.58 4.94 2fv9B1 CYS 423 HB2 0.11 0.09 0.06 -0.04 2.97 3.19 2fv9B1 CYS 423 HB3 0.13 -0.01 0.21 -0.04 2.97 3.26 2fv9B1 ALA 424 H 0.11 0.28 -0.61 -0.55 8.40 7.63 2fv9B1 ALA 424 HA 0.05 0.04 0.59 -0.75 4.34 4.26 2fv9B1 ALA 424 HB3 0.12 0.02 -0.10 -0.04 1.41 1.41 2fv9B1 PRO 425 HA -0.04 -0.02 0.40 -0.51 4.44 4.28 2fv9B1 PRO 425 HB2 -0.18 0.18 -0.17 -0.04 2.28 2.07 2fv9B1 PRO 425 HB3 -0.06 -0.07 0.05 -0.04 2.02 1.90 2fv9B1 PRO 425 HG2 -0.04 0.08 -0.03 -0.04 2.03 1.99 2fv9B1 PRO 425 HG3 0.08 0.07 0.02 -0.04 2.03 2.16 2fv9B1 PRO 425 HD2 -0.27 0.20 -0.01 -0.04 3.68 3.55 2fv9B1 PRO 425 HD3 0.20 -0.01 -0.32 -0.04 3.65 3.48 2fv9B1 ASN 426 H -0.07 0.07 0.14 -0.55 8.53 8.12 2fv9B1 ASN 426 HA -0.13 0.22 0.58 -0.75 4.76 4.69 2fv9B1 ASN 426 HB2 -0.07 -0.05 0.14 -0.04 2.88 2.86 2fv9B1 ASN 426 HB3 -0.05 0.11 0.09 -0.04 2.79 2.90 2fv9B1 ASN 426 HD21 -0.02 0.07 0.01 -0.04 7.03 7.05 2fv9B1 ASN 426 HD22 -0.03 0.07 0.05 -0.04 7.74 7.79 2fv9B1 GLU 427 H -0.13 0.21 0.14 -0.55 8.60 8.27 2fv9B1 GLU 427 HA -0.22 0.07 0.33 -0.75 4.29 3.71 2fv9B1 GLU 427 HB2 -0.07 -0.03 0.15 -0.04 2.09 2.10 2fv9B1 GLU 427 HB3 -0.04 0.09 -0.02 -0.04 1.99 1.98 2fv9B1 GLU 427 HG2 -0.50 0.01 0.04 -0.04 2.34 1.85 2fv9B1 GLU 427 HG3 -0.21 -0.01 0.10 -0.04 2.34 2.18 2fv9B1 ASP 428 H -0.05 0.08 -0.15 -0.55 8.40 7.73 2fv9B1 ASP 428 HA -0.02 0.13 0.39 -0.75 4.63 4.38 2fv9B1 ASP 428 HB2 -0.02 0.00 0.08 -0.04 2.71 2.74 2fv9B1 ASP 428 HB3 -0.03 -0.05 0.02 -0.04 2.70 2.60 2fv9B1 GLN 429 H -0.06 0.14 -0.37 -0.55 8.47 7.63 2fv9B1 GLN 429 HA -0.03 0.17 0.69 -0.75 4.36 4.44 2fv9B1 GLN 429 HB2 -0.03 -0.11 0.07 -0.04 2.15 2.04 2fv9B1 GLN 429 HB3 -0.06 -0.00 0.04 -0.04 2.02 1.95 2fv9B1 GLN 429 HG2 -0.00 -0.02 0.06 -0.04 2.40 2.40 2fv9B1 GLN 429 HG3 -0.01 0.07 0.17 -0.04 2.39 2.57 2fv9B1 GLN 429 HE21 0.00 0.00 0.02 -0.04 6.97 6.95 2fv9B1 GLN 429 HE22 0.01 -0.01 0.03 -0.04 7.69 7.68 2fv9B1 GLY 430 H -0.07 0.34 -0.44 -0.55 8.43 7.72 2fv9B1 GLY 430 HA2 -0.04 -0.04 0.27 -0.51 4.01 3.70 2fv9B1 GLY 430 HA3 -0.09 0.21 0.88 -0.51 4.01 4.50 2fv9B1 GLY 431 H -0.17 0.47 -0.19 -0.55 8.43 7.99 2fv9B1 GLY 431 HA2 -0.32 -0.06 -0.04 -0.51 4.01 3.07 2fv9B1 GLY 431 HA3 -0.27 0.02 0.47 -0.51 4.01 3.72 2fv9B1 LYS 432 H -0.31 0.00 0.03 -0.55 8.42 7.58 2fv9B1 LYS 432 HA -0.33 0.14 0.48 -0.75 4.32 3.85 2fv9B1 LYS 432 HB2 -0.28 -0.02 -0.01 -0.04 1.87 1.52 2fv9B1 LYS 432 HB3 -0.40 0.04 0.09 -0.04 1.79 1.49 2fv9B1 LYS 432 HG2 -0.51 -0.13 0.01 -0.04 1.46 0.78 2fv9B1 LYS 432 HG3 -1.55 0.01 -0.00 -0.04 1.46 -0.12 2fv9B1 LYS 432 HD2 -0.64 0.01 -0.04 -0.04 1.69 0.98 2fv9B1 LYS 432 HD3 -0.38 0.16 -0.38 -0.04 1.68 1.04 2fv9B1 LYS 432 HE2 -0.37 -0.18 -0.05 -0.04 2.99 2.34 2fv9B1 LYS 432 HE3 -0.52 -0.08 -0.02 -0.04 2.99 2.33 2fv9B1 TYR 433 H 0.03 0.10 0.11 -0.55 8.29 7.97 2fv9B1 TYR 433 HA -0.04 0.47 0.48 -0.75 4.56 4.72 2fv9B1 TYR 433 HB2 0.06 -0.06 0.11 -0.04 3.06 3.13 2fv9B1 TYR 433 HB3 0.00 0.01 0.17 -0.04 2.98 3.12 2fv9B1 TYR 433 HD2 -0.01 0.17 -0.21 -0.04 7.15 7.06 2fv9B1 TYR 433 HE2 -0.01 0.04 -0.07 -0.04 6.85 6.76 2fv9B1 VAL 434 H 0.02 0.71 0.24 -0.55 8.24 8.66 2fv9B1 VAL 434 HA 0.04 0.09 0.35 -0.75 4.13 3.85 2fv9B1 VAL 434 HB -0.24 0.13 0.04 -0.04 2.12 2.00 2fv9B1 VAL 434 HG13 -0.67 -0.02 -0.24 -0.04 0.97 0.00 2fv9B1 VAL 434 HG23 -0.03 -0.03 -0.00 -0.04 0.95 0.85 2fv9B1 MET 435 H 0.14 -0.03 -0.27 -0.55 8.47 7.77 2fv9B1 MET 435 HA 0.16 0.23 0.58 -0.75 4.52 4.74 2fv9B1 MET 435 HB2 0.19 -0.14 0.03 -0.04 2.15 2.18 2fv9B1 MET 435 HB3 0.14 0.10 0.08 -0.04 2.03 2.31 2fv9B1 MET 435 HG2 0.30 -0.11 -0.05 -0.04 2.63 2.73 2fv9B1 MET 435 HG3 0.16 0.04 -0.09 -0.04 2.56 2.63 2fv9B1 MET 435 HE3 -0.93 0.03 -0.25 -0.04 2.10 0.91 2fv9B1 TYR 436 H 0.27 0.49 -0.42 -0.55 8.29 8.08 2fv9B1 TYR 436 HA 0.06 0.06 0.55 -0.75 4.56 4.47 2fv9B1 TYR 436 HB2 0.04 0.04 0.11 -0.04 3.06 3.20 2fv9B1 TYR 436 HB3 0.00 -0.01 -0.03 -0.04 2.98 2.90 2fv9B1 TYR 436 HD2 0.01 0.14 -0.01 -0.04 7.15 7.25 2fv9B1 TYR 436 HE2 0.00 0.10 0.04 -0.04 6.85 6.95 2fv9B1 PRO 437 HA -0.49 0.14 0.48 -0.51 4.44 4.06 2fv9B1 PRO 437 HB2 -0.27 -0.03 0.01 -0.04 2.28 1.95 2fv9B1 PRO 437 HB3 -0.66 0.04 0.11 -0.04 2.02 1.46 2fv9B1 PRO 437 HG2 -0.60 -0.07 0.09 -0.04 2.03 1.41 2fv9B1 PRO 437 HG3 -0.35 0.04 0.07 -0.04 2.03 1.75 2fv9B1 PRO 437 HD2 -1.48 0.08 0.21 -0.04 3.68 2.45 2fv9B1 PRO 437 HD3 -0.35 0.23 0.25 -0.04 3.65 3.74 2fv9B1 ILE 438 H -0.18 0.16 -0.09 -0.55 8.25 7.58 2fv9B1 ILE 438 HA -0.03 0.27 1.10 -0.75 4.18 4.78 2fv9B1 ILE 438 HB 0.04 -0.01 -0.04 -0.04 1.89 1.84 2fv9B1 ILE 438 HG12 -0.17 -0.04 -0.02 -0.04 1.49 1.22 2fv9B1 ILE 438 HG13 0.18 0.01 -0.04 -0.04 1.21 1.32 2fv9B1 ILE 438 HG23 -0.03 0.01 -0.16 -0.04 0.93 0.71 2fv9B1 ILE 438 HD13 0.03 0.00 -0.04 -0.04 0.88 0.83 2fv9B1 ALA 439 H 0.04 0.19 0.10 -0.55 8.40 8.18 2fv9B1 ALA 439 HA 0.05 0.05 0.24 -0.75 4.34 3.93 2fv9B1 ALA 439 HB3 0.06 0.02 0.00 -0.04 1.41 1.45 2fv9B1 VAL 440 H 0.05 0.20 -0.47 -0.55 8.24 7.46 2fv9B1 VAL 440 HA 0.04 0.01 0.69 -0.75 4.13 4.12 2fv9B1 VAL 440 HB 0.06 0.04 -0.05 -0.04 2.12 2.13 2fv9B1 VAL 440 HG13 0.04 0.04 -0.10 -0.04 0.97 0.91 2fv9B1 VAL 440 HG23 0.03 -0.01 -0.07 -0.04 0.95 0.85 2fv9B1 SER 441 H 0.06 0.31 0.14 -0.55 8.46 8.43 2fv9B1 SER 441 HA 0.04 0.14 0.44 -0.75 4.49 4.35 2fv9B1 SER 441 HB2 0.02 0.01 0.04 -0.04 3.95 3.99 2fv9B1 SER 441 HB3 0.04 0.08 0.04 -0.04 3.93 4.06 2fv9B1 GLY 442 H 0.04 0.08 -0.14 -0.55 8.43 7.86 2fv9B1 GLY 442 HA2 -0.00 0.10 0.20 -0.51 4.01 3.81 2fv9B1 GLY 442 HA3 0.00 0.20 0.62 -0.51 4.01 4.32 2fv9B1 ASP 443 H -0.02 -0.04 -0.24 -0.55 8.40 7.55 2fv9B1 ASP 443 HA -0.14 0.15 0.38 -0.75 4.63 4.27 2fv9B1 ASP 443 HB2 -0.23 -0.05 0.01 -0.04 2.71 2.40 2fv9B1 ASP 443 HB3 -0.36 0.03 0.07 -0.04 2.70 2.40 2fv9B1 HIS 444 H -0.01 -0.01 -0.37 -0.55 8.41 7.48 2fv9B1 HIS 444 HA -0.05 0.21 0.90 -0.75 4.63 4.94 2fv9B1 HIS 444 HB2 -0.09 -0.07 0.03 -0.04 3.26 3.09 2fv9B1 HIS 444 HB3 -0.10 0.24 -0.07 -0.04 3.20 3.23 2fv9B1 HIS 444 HD2 -0.05 -0.10 -0.03 -0.04 6.97 6.74 2fv9B1 HIS 444 HE1 -0.04 0.00 -0.05 -0.04 7.75 7.62 2fv9B1 GLU 445 H 0.01 0.15 0.13 -0.55 8.60 8.34 2fv9B1 GLU 445 HA -0.02 0.06 0.31 -0.75 4.29 3.89 2fv9B1 GLU 445 HB2 -0.02 -0.01 0.13 -0.04 2.09 2.15 2fv9B1 GLU 445 HB3 -0.03 0.02 0.17 -0.04 1.99 2.11 2fv9B1 GLU 445 HG2 -0.02 0.04 -0.28 -0.04 2.34 2.04 2fv9B1 GLU 445 HG3 -0.02 -0.01 0.00 -0.04 2.34 2.27 2fv9B1 ASN 446 H -0.10 0.57 -0.08 -0.55 8.53 8.37 2fv9B1 ASN 446 HA -0.09 0.04 0.31 -0.75 4.76 4.27 2fv9B1 ASN 446 HB2 -0.42 0.12 -0.66 -0.04 2.88 1.87 2fv9B1 ASN 446 HB3 -1.08 -0.12 -0.35 -0.04 2.79 1.20 2fv9B1 ASN 446 HD21 -0.19 0.21 -0.16 -0.04 7.03 6.84 2fv9B1 ASN 446 HD22 -0.37 0.44 -0.57 -0.04 7.74 7.20 2fv9B1 ASN 447 H -0.05 0.20 -0.48 -0.55 8.53 7.66 2fv9B1 ASN 447 HA -0.04 0.14 0.22 -0.75 4.76 4.32 2fv9B1 ASN 447 HB2 -0.01 0.22 0.03 -0.04 2.88 3.08 2fv9B1 ASN 447 HB3 0.00 -0.04 -0.07 -0.04 2.79 2.64 2fv9B1 ASN 447 HD21 -0.02 -0.20 0.03 -0.04 7.03 6.80 2fv9B1 ASN 447 HD22 -0.07 0.60 -0.05 -0.04 7.74 8.18 2fv9B1 LYS 448 H -0.03 0.31 -0.39 -0.55 8.42 7.75 2fv9B1 LYS 448 HA -0.07 0.11 0.62 -0.75 4.32 4.23 2fv9B1 LYS 448 HB2 -0.03 0.08 0.01 -0.04 1.87 1.89 2fv9B1 LYS 448 HB3 -0.04 -0.03 0.15 -0.04 1.79 1.84 2fv9B1 LYS 448 HG2 -0.02 -0.03 -0.04 -0.04 1.46 1.33 2fv9B1 LYS 448 HG3 -0.02 -0.02 -0.05 -0.04 1.46 1.32 2fv9B1 LYS 448 HD2 -0.02 0.05 -0.01 -0.04 1.69 1.67 2fv9B1 LYS 448 HD3 -0.02 -0.02 -0.01 -0.04 1.68 1.59 2fv9B1 LYS 448 HE2 -0.02 -0.04 -0.03 -0.04 2.99 2.86 2fv9B1 LYS 448 HE3 -0.01 -0.06 -0.02 -0.04 2.99 2.86 2fv9B1 MET 449 H -0.00 0.64 -0.23 -0.55 8.47 8.33 2fv9B1 MET 449 HA -0.14 0.23 0.92 -0.75 4.52 4.77 2fv9B1 MET 449 HB2 0.27 -0.01 -0.04 -0.04 2.15 2.33 2fv9B1 MET 449 HB3 0.04 -0.01 0.09 -0.04 2.03 2.11 2fv9B1 MET 449 HG2 -0.01 0.11 -0.22 -0.04 2.63 2.46 2fv9B1 MET 449 HG3 0.01 -0.02 -0.29 -0.04 2.56 2.22 2fv9B1 MET 449 HE3 0.09 0.01 -0.17 -0.04 2.10 1.98 2fv9B1 PHE 450 H 0.01 0.21 0.13 -0.55 8.34 8.13 2fv9B1 PHE 450 HA -0.01 -0.00 0.76 -0.75 4.62 4.62 2fv9B1 PHE 450 HB2 -0.20 0.04 0.07 -0.04 3.15 3.02 2fv9B1 PHE 450 HB3 -0.01 0.01 -0.04 -0.04 3.06 2.97 2fv9B1 PHE 450 HD2 -0.13 -0.03 -0.04 -0.04 7.28 7.04 2fv9B1 PHE 450 HE2 -0.52 0.02 -0.12 -0.04 7.38 6.72 2fv9B1 PHE 450 HZ -0.27 0.10 -0.11 -0.04 7.32 6.99 2fv9B1 SER 451 H 0.02 0.04 0.18 -0.55 8.46 8.15 2fv9B1 SER 451 HA -1.26 0.24 0.56 -0.75 4.49 3.27 2fv9B1 SER 451 HB2 -0.12 -0.08 0.26 -0.04 3.95 3.98 2fv9B1 SER 451 HB3 -0.04 0.17 0.19 -0.04 3.93 4.21 2fv9B1 GLN 452 H -0.20 0.24 0.18 -0.55 8.47 8.14 2fv9B1 GLN 452 HA -0.05 0.17 0.43 -0.75 4.36 4.15 2fv9B1 GLN 452 HB2 -0.02 -0.06 0.07 -0.04 2.15 2.10 2fv9B1 GLN 452 HB3 -0.02 0.05 0.03 -0.04 2.02 2.04 2fv9B1 GLN 452 HG2 -0.09 0.01 0.11 -0.04 2.40 2.38 2fv9B1 GLN 452 HG3 -0.02 0.02 0.04 -0.04 2.39 2.39 2fv9B1 GLN 452 HE21 -0.05 0.04 0.01 -0.04 6.97 6.93 2fv9B1 GLN 452 HE22 -0.05 0.02 0.02 -0.04 7.69 7.64 2fv9B1 CYS 453 H 0.00 0.04 -0.15 -0.55 8.50 7.84 2fv9B1 CYS 453 HA 0.04 0.11 0.41 -0.75 4.58 4.39 2fv9B1 CYS 453 HB2 0.08 -0.04 0.08 -0.04 2.97 3.04 2fv9B1 CYS 453 HB3 0.07 0.12 -0.03 -0.04 2.97 3.10 2fv9B1 SER 454 H 0.08 0.01 -0.26 -0.55 8.46 7.74 2fv9B1 SER 454 HA 0.10 0.11 0.43 -0.75 4.49 4.38 2fv9B1 SER 454 HB2 0.27 0.04 0.08 -0.04 3.95 4.30 2fv9B1 SER 454 HB3 0.25 0.09 -0.01 -0.04 3.93 4.23 2fv9B1 LYS 455 H 0.10 0.38 -0.32 -0.55 8.42 8.02 2fv9B1 LYS 455 HA 0.52 0.04 0.38 -0.75 4.32 4.51 2fv9B1 LYS 455 HB2 0.07 0.07 0.16 -0.04 1.87 2.13 2fv9B1 LYS 455 HB3 0.20 0.13 0.02 -0.04 1.79 2.09 2fv9B1 LYS 455 HG2 0.00 -0.04 -0.10 -0.04 1.46 1.28 2fv9B1 LYS 455 HG3 0.03 0.13 -0.13 -0.04 1.46 1.46 2fv9B1 LYS 455 HD2 -0.06 -0.09 -0.08 -0.04 1.69 1.42 2fv9B1 LYS 455 HD3 -0.05 0.05 -0.04 -0.04 1.68 1.60 2fv9B1 LYS 455 HE2 -0.32 -0.08 -0.15 -0.04 2.99 2.40 2fv9B1 LYS 455 HE3 -0.16 0.11 -0.11 -0.04 2.99 2.79 2fv9B1 GLN 456 H 0.08 0.44 -0.12 -0.55 8.47 8.32 2fv9B1 GLN 456 HA 0.08 0.05 0.44 -0.75 4.36 4.18 2fv9B1 GLN 456 HB2 0.03 0.04 0.15 -0.04 2.15 2.33 2fv9B1 GLN 456 HB3 0.04 0.07 0.13 -0.04 2.02 2.23 2fv9B1 GLN 456 HG2 0.04 0.02 -0.09 -0.04 2.40 2.32 2fv9B1 GLN 456 HG3 0.02 -0.01 0.06 -0.04 2.39 2.42 2fv9B1 GLN 456 HE21 0.01 -0.04 -0.00 -0.04 6.97 6.89 2fv9B1 GLN 456 HE22 -0.00 0.01 0.01 -0.04 7.69 7.67 2fv9B1 SER 457 H 0.06 0.35 -0.22 -0.55 8.46 8.10 2fv9B1 SER 457 HA 0.02 0.03 0.42 -0.75 4.49 4.21 2fv9B1 SER 457 HB2 0.04 0.05 0.09 -0.04 3.95 4.08 2fv9B1 SER 457 HB3 0.02 0.14 -0.09 -0.04 3.93 3.96 2fv9B1 ILE 458 H 0.01 0.51 -0.12 -0.55 8.25 8.10 2fv9B1 ILE 458 HA -0.14 0.32 0.54 -0.75 4.18 4.15 2fv9B1 ILE 458 HB -0.32 -0.00 0.12 -0.04 1.89 1.64 2fv9B1 ILE 458 HG12 -0.10 0.12 -0.08 -0.04 1.49 1.39 2fv9B1 ILE 458 HG13 -0.09 -0.01 -0.02 -0.04 1.21 1.05 2fv9B1 ILE 458 HG23 -1.22 -0.01 -0.07 -0.04 0.93 -0.42 2fv9B1 ILE 458 HD13 -0.46 -0.05 -0.08 -0.04 0.88 0.25 2fv9B1 TYR 459 H 0.12 0.72 -0.07 -0.55 8.29 8.51 2fv9B1 TYR 459 HA -0.11 -0.05 0.42 -0.75 4.56 4.07 2fv9B1 TYR 459 HB2 0.12 0.16 0.17 -0.04 3.06 3.48 2fv9B1 TYR 459 HB3 -0.01 0.07 0.18 -0.04 2.98 3.18 2fv9B1 TYR 459 HD2 0.04 0.00 -0.07 -0.04 7.15 7.08 2fv9B1 TYR 459 HE2 -0.73 -0.03 -0.04 -0.04 6.85 6.01 2fv9B1 LYS 460 H 0.04 0.43 -0.22 -0.55 8.42 8.13 2fv9B1 LYS 460 HA -0.14 -0.05 0.32 -0.75 4.32 3.70 2fv9B1 LYS 460 HB2 -0.04 0.29 0.18 -0.04 1.87 2.27 2fv9B1 LYS 460 HB3 -0.06 -0.03 -0.01 -0.04 1.79 1.64 2fv9B1 LYS 460 HG2 0.01 -0.10 0.05 -0.04 1.46 1.38 2fv9B1 LYS 460 HG3 0.05 0.23 0.13 -0.04 1.46 1.84 2fv9B1 LYS 460 HD2 -0.00 0.03 0.01 -0.04 1.69 1.69 2fv9B1 LYS 460 HD3 -0.02 -0.01 -0.00 -0.04 1.68 1.61 2fv9B1 LYS 460 HE2 0.01 -0.04 -0.01 -0.04 2.99 2.91 2fv9B1 LYS 460 HE3 0.02 -0.01 -0.05 -0.04 2.99 2.91 2fv9B1 THR 461 H -0.13 0.39 -0.18 -0.55 8.28 7.82 2fv9B1 THR 461 HA -0.16 0.02 0.36 -0.75 4.39 3.85 2fv9B1 THR 461 HB -0.18 0.12 0.28 -0.04 4.32 4.50 2fv9B1 THR 461 HG23 -0.22 -0.05 -0.12 -0.04 1.22 0.79 2fv9B1 ILE 462 H -0.33 0.76 0.02 -0.55 8.25 8.15 2fv9B1 ILE 462 HA -0.56 -0.06 0.43 -0.75 4.18 3.24 2fv9B1 ILE 462 HB -0.38 0.07 0.20 -0.04 1.89 1.73 2fv9B1 ILE 462 HG12 -0.31 -0.07 0.03 -0.04 1.49 1.10 2fv9B1 ILE 462 HG13 -0.44 0.35 0.13 -0.04 1.21 1.20 2fv9B1 ILE 462 HG23 -0.68 -0.02 -0.08 -0.04 0.93 0.11 2fv9B1 ILE 462 HD13 -1.05 -0.03 -0.05 -0.04 0.88 -0.30 2fv9B1 GLU 463 H -0.46 0.75 -0.01 -0.55 8.60 8.34 2fv9B1 GLU 463 HA -0.24 -0.01 0.41 -0.75 4.29 3.70 2fv9B1 GLU 463 HB2 -0.31 -0.08 0.15 -0.04 2.09 1.80 2fv9B1 GLU 463 HB3 -0.75 -0.05 0.11 -0.04 1.99 1.26 2fv9B1 GLU 463 HG2 -0.44 0.25 0.09 -0.04 2.34 2.20 2fv9B1 GLU 463 HG3 -0.24 0.02 -0.16 -0.04 2.34 1.91 2fv9B1 SER 464 H -0.25 0.41 -0.53 -0.55 8.46 7.54 2fv9B1 SER 464 HA -0.13 0.14 1.04 -0.75 4.49 4.79 2fv9B1 SER 464 HB2 -0.10 -0.08 0.14 -0.04 3.95 3.86 2fv9B1 SER 464 HB3 -0.13 -0.05 -0.05 -0.04 3.93 3.66 2fv9B1 LYS 465 H -0.29 0.25 0.19 -0.55 8.42 8.02 2fv9B1 LYS 465 HA -0.15 0.17 1.00 -0.75 4.32 4.59 2fv9B1 LYS 465 HB2 -0.31 0.17 0.03 -0.04 1.87 1.72 2fv9B1 LYS 465 HB3 -0.20 -0.08 -0.05 -0.04 1.79 1.42 2fv9B1 LYS 465 HG2 -0.10 -0.01 -0.02 -0.04 1.46 1.30 2fv9B1 LYS 465 HG3 -0.14 -0.02 -0.24 -0.04 1.46 1.02 2fv9B1 LYS 465 HD2 -0.14 -0.05 -0.04 -0.04 1.69 1.42 2fv9B1 LYS 465 HD3 -0.10 0.04 -0.11 -0.04 1.68 1.47 2fv9B1 LYS 465 HE2 -0.04 -0.04 -0.03 -0.04 2.99 2.84 2fv9B1 LYS 465 HE3 -0.06 -0.07 -0.04 -0.04 2.99 2.78 2fv9B1 ALA 466 H -0.46 0.54 0.32 -0.55 8.40 8.26 2fv9B1 ALA 466 HA -1.19 -0.02 0.42 -0.75 4.34 2.80 2fv9B1 ALA 466 HB3 -0.28 0.04 0.16 -0.04 1.41 1.29 2fv9B1 GLN 467 H -0.14 0.11 -0.35 -0.55 8.47 7.54 2fv9B1 GLN 467 HA -0.00 0.07 0.40 -0.75 4.36 4.07 2fv9B1 GLN 467 HB2 -0.04 -0.01 0.01 -0.04 2.15 2.07 2fv9B1 GLN 467 HB3 -0.06 0.04 -0.09 -0.04 2.02 1.88 2fv9B1 GLN 467 HG2 -0.02 -0.03 -0.03 -0.04 2.40 2.28 2fv9B1 GLN 467 HG3 -0.02 0.04 -0.10 -0.04 2.39 2.28 2fv9B1 GLN 467 HE21 0.01 -0.05 0.01 -0.04 6.97 6.90 2fv9B1 GLN 467 HE22 -0.00 -0.00 0.00 -0.04 7.69 7.65 2fv9B1 GLU 468 H -0.09 0.10 -0.45 -0.55 8.60 7.62 2fv9B1 GLU 468 HA -0.02 0.02 0.48 -0.75 4.29 4.02 2fv9B1 GLU 468 HB2 -0.05 -0.03 0.13 -0.04 2.09 2.10 2fv9B1 GLU 468 HB3 -0.05 0.11 0.19 -0.04 1.99 2.21 2fv9B1 GLU 468 HG2 -0.00 0.02 -0.18 -0.04 2.34 2.14 2fv9B1 GLU 468 HG3 -0.02 -0.08 0.05 -0.04 2.34 2.26 2fv9B1 CYS 469 H 0.05 0.28 0.04 -0.55 8.50 8.32 2fv9B1 CYS 469 HA 0.05 0.21 0.76 -0.75 4.58 4.85 2fv9B1 CYS 469 HB2 0.04 -0.04 0.13 -0.04 2.97 3.05 2fv9B1 CYS 469 HB3 0.03 0.06 -0.19 -0.04 2.97 2.83 2fv9B1 PHE 470 H 0.26 0.29 0.13 -0.55 8.34 8.47 2fv9B1 PHE 470 HA -0.01 0.09 0.63 -0.75 4.62 4.59 2fv9B1 PHE 470 HB2 0.03 0.33 0.27 -0.04 3.15 3.73 2fv9B1 PHE 470 HB3 0.05 -0.12 -0.33 -0.04 3.06 2.63 2fv9B1 PHE 470 HD2 0.08 -0.03 -0.24 -0.04 7.28 7.05 2fv9B1 PHE 470 HE2 -0.04 -0.01 -0.14 -0.04 7.38 7.16 2fv9B1 PHE 470 HZ -0.66 0.01 -0.11 -0.04 7.32 6.52 2fv9B1 GLN 471 H -0.00 0.73 0.39 -0.55 8.47 9.04 2fv9B1 GLN 471 HA 0.05 0.18 0.91 -0.75 4.36 4.75 2fv9B1 GLN 471 HB2 -0.01 0.05 0.07 -0.04 2.15 2.22 2fv9B1 GLN 471 HB3 0.01 -0.13 0.21 -0.04 2.02 2.07 2fv9B1 GLN 471 HG2 0.02 0.05 -0.15 -0.04 2.40 2.28 2fv9B1 GLN 471 HG3 0.01 0.13 -0.11 -0.04 2.39 2.37 2fv9B1 GLN 471 HE21 -0.01 -0.04 0.04 -0.04 6.97 6.92 2fv9B1 GLN 471 HE22 -0.00 0.09 0.02 -0.04 7.69 7.76 2fv9B1 GLU 472 H 0.01 0.09 0.18 -0.55 8.60 8.34 2fv9B1 GLU 472 HA -0.00 0.25 0.77 -0.75 4.29 4.55 2fv9B1 GLU 472 HB2 0.00 -0.04 0.06 -0.04 2.09 2.07 2fv9B1 GLU 472 HB3 -0.00 -0.07 0.14 -0.04 1.99 2.01 2fv9B1 GLU 472 HG2 0.01 0.40 0.02 -0.04 2.34 2.73 2fv9B1 GLU 472 HG3 0.01 -0.06 -0.04 -0.04 2.34 2.21 2fv9B1 ARG 473 H -0.02 0.16 0.05 -0.55 8.46 8.10 2fv9B1 ARG 473 HA -0.02 0.13 0.19 -0.75 4.34 3.88 2fv9B1 ARG 473 HB2 -0.01 -0.01 0.08 -0.04 1.90 1.92 2fv9B1 ARG 473 HB3 -0.01 0.00 0.04 -0.04 1.80 1.79 2fv9B1 ARG 473 HG2 -0.02 0.03 -0.06 -0.04 1.67 1.58 2fv9B1 ARG 473 HG3 -0.02 0.04 -0.04 -0.04 1.67 1.61 2fv9B1 ARG 473 HD2 -0.01 -0.01 0.01 -0.04 3.22 3.16 2fv9B1 ARG 473 HD3 -0.01 -0.04 -0.00 -0.04 3.22 3.13