============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. HIS 2 0.900 -39.085 -43.631 -9.693 -99.200 -91.000 PHE 7 1.000 -36.948 -29.866 -16.631 -99.200 -91.000 TRP 9 1.040 -35.904 -26.729 -22.418 -99.200 -91.000 TRP6 9 1.020 -34.087 -25.480 -21.585 -99.200 -91.000 PHE 18 1.000 -31.711 -16.745 -36.865 -99.200 -91.000 HIS 19 0.900 -35.586 -14.789 -34.915 -99.200 -91.000 PHE 26 1.000 -25.223 -12.413 -27.276 -99.200 -91.000 TYR 30 0.840 -24.756 -10.700 -23.108 -99.200 -91.000 PHE 49 1.000 -36.334 -18.893 -43.035 -99.200 -91.000 HIS 55 0.900 -31.532 -30.939 -47.917 -99.200 -91.000 PHE 57 1.000 -40.561 -32.792 -48.986 -99.200 -91.000 PHE 58 1.000 -40.779 -22.346 -44.965 -99.200 -91.000 HIS 68 0.900 -46.583 -33.273 -32.828 -99.200 -91.000 TYR 84 0.840 -44.653 -39.888 -52.939 -99.200 -91.000 PHE 86 1.000 -41.991 -36.801 -50.811 -99.200 -91.000 PHE 91 1.000 -48.955 -30.405 -51.063 -99.200 -91.000 HIS 92 0.900 -49.198 -28.445 -58.006 -99.200 -91.000 TRP 97 1.040 -53.459 -30.700 -51.483 -99.200 -91.000 TRP6 97 1.020 -53.584 -29.798 -49.304 -99.200 -91.000 PHE 103 1.000 -47.903 -40.707 -48.898 -99.200 -91.000 TYR 105 0.840 -46.495 -31.067 -42.310 -99.200 -91.000 TYR 112 0.840 -35.701 -33.555 -35.675 -99.200 -91.000 TYR 115 0.840 -29.752 -37.290 -43.628 -99.200 -91.000 TRP 131 1.040 -23.998 -26.217 -39.524 -99.200 -91.000 TRP6 131 1.020 -23.521 -28.415 -38.789 -99.200 -91.000 TRP 145 1.040 -27.705 -18.418 -24.945 -99.200 -91.000 TRP6 145 1.020 -28.120 -16.587 -23.498 -99.200 -91.000 HIS 148 0.900 -22.523 -21.071 -20.560 -99.200 -91.000 TYR 182 0.840 -28.497 -21.924 -33.837 -99.200 -91.000 PHE 188 1.000 -35.629 -29.376 -27.417 -99.200 -91.000 TYR 194 0.840 -46.299 -29.922 -28.829 -99.200 -91.000 PHE 205 1.000 -46.592 -22.655 -22.700 -99.200 -91.000 PHE 212 1.000 -45.314 -34.966 -22.359 -99.200 -91.000 TYR 218 0.840 -47.029 -30.397 -17.461 -99.200 -91.000 HIS 234 0.900 -52.913 -23.197 -19.558 -99.200 -91.000 PHE 238 1.000 -41.381 -17.643 -17.530 -99.200 -91.000 TRP 239 1.040 -35.032 -21.087 -14.412 -99.200 -91.000 TRP6 239 1.020 -34.591 -22.534 -12.597 -99.200 -91.000 HIS 244 0.900 -23.863 -15.982 -21.623 -99.200 -91.000 HIS 252 0.900 -25.887 -25.335 -8.074 -99.200 -91.000 TYR 258 0.840 -29.109 -37.379 -7.033 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hb0A1 SER 265 HA -0.04 -0.03 0.11 -0.75 4.49 3.78 3hb0A1 SER 265 HB2 -0.07 -0.04 0.06 -0.04 3.95 3.85 3hb0A1 SER 265 HB3 -0.17 -0.01 0.00 -0.04 3.93 3.71 3hb0A1 HIS 266 H 0.03 0.19 0.09 -0.55 8.41 8.17 3hb0A1 HIS 266 HA 0.02 0.13 0.79 -0.75 4.63 4.81 3hb0A1 HIS 266 HB2 0.02 -0.04 0.08 -0.04 3.26 3.28 3hb0A1 HIS 266 HB3 0.02 0.09 0.01 -0.04 3.20 3.27 3hb0A1 HIS 266 HD2 0.02 -0.01 0.00 -0.04 6.97 6.93 3hb0A1 HIS 266 HE1 0.02 -0.06 -0.02 -0.04 7.75 7.65 3hb0A1 MET 267 H 0.12 0.13 0.19 -0.55 8.47 8.36 3hb0A1 MET 267 HA 0.03 0.10 0.58 -0.75 4.52 4.48 3hb0A1 MET 267 HB2 0.03 -0.00 0.12 -0.04 2.15 2.25 3hb0A1 MET 267 HB3 0.04 -0.05 0.10 -0.04 2.03 2.08 3hb0A1 MET 267 HG2 -0.02 0.08 -0.10 -0.04 2.63 2.54 3hb0A1 MET 267 HG3 0.00 0.03 0.06 -0.04 2.56 2.62 3hb0A1 MET 267 HE3 0.01 -0.00 -0.01 -0.04 2.10 2.05 3hb0A1 GLU 268 H -0.01 0.21 0.24 -0.55 8.60 8.49 3hb0A1 GLU 268 HA -0.03 0.35 1.08 -0.75 4.29 4.94 3hb0A1 GLU 268 HB2 -0.03 -0.08 0.05 -0.04 2.09 1.99 3hb0A1 GLU 268 HB3 -0.04 0.06 0.01 -0.04 1.99 1.99 3hb0A1 GLU 268 HG2 0.03 0.03 -0.17 -0.04 2.34 2.20 3hb0A1 GLU 268 HG3 0.04 0.11 -0.36 -0.04 2.34 2.10 3hb0A1 ARG 269 H -0.09 0.68 0.41 -0.55 8.46 8.90 3hb0A1 ARG 269 HA -0.32 0.26 1.15 -0.75 4.34 4.67 3hb0A1 ARG 269 HB2 -0.22 -0.06 0.08 -0.04 1.90 1.66 3hb0A1 ARG 269 HB3 -0.66 0.02 0.01 -0.04 1.80 1.13 3hb0A1 ARG 269 HG2 -0.15 0.02 -0.19 -0.04 1.67 1.30 3hb0A1 ARG 269 HG3 -0.07 0.03 -0.15 -0.04 1.67 1.44 3hb0A1 ARG 269 HD2 0.01 -0.01 -0.11 -0.04 3.22 3.07 3hb0A1 ARG 269 HD3 -0.01 -0.02 -0.09 -0.04 3.22 3.06 3hb0A1 VAL 270 H -0.59 0.69 0.24 -0.55 8.24 8.04 3hb0A1 VAL 270 HA -0.34 0.17 0.97 -0.75 4.13 4.18 3hb0A1 VAL 270 HB -0.99 -0.03 -0.01 -0.04 2.12 1.05 3hb0A1 VAL 270 HG13 -0.39 -0.02 -0.27 -0.04 0.97 0.26 3hb0A1 VAL 270 HG23 -0.71 0.01 -0.25 -0.04 0.95 -0.04 3hb0A1 PHE 271 H 0.11 0.69 0.27 -0.55 8.34 8.86 3hb0A1 PHE 271 HA -0.22 0.14 0.89 -0.75 4.62 4.67 3hb0A1 PHE 271 HB2 0.08 0.09 0.30 -0.04 3.15 3.59 3hb0A1 PHE 271 HB3 -0.44 -0.08 0.06 -0.04 3.06 2.56 3hb0A1 PHE 271 HD2 -0.25 0.09 -0.01 -0.04 7.28 7.07 3hb0A1 PHE 271 HE2 -0.17 0.00 -0.07 -0.04 7.38 7.10 3hb0A1 PHE 271 HZ -0.12 0.03 -0.08 -0.04 7.32 7.11 3hb0A1 VAL 272 H -0.14 0.76 0.34 -0.55 8.24 8.66 3hb0A1 VAL 272 HA 0.15 0.17 0.81 -0.75 4.13 4.50 3hb0A1 VAL 272 HB -0.23 -0.09 0.19 -0.04 2.12 1.95 3hb0A1 VAL 272 HG13 -0.07 -0.02 -0.16 -0.04 0.97 0.68 3hb0A1 VAL 272 HG23 -0.06 0.04 -0.18 -0.04 0.95 0.71 3hb0A1 TRP 273 H 0.54 0.78 0.29 -0.55 7.97 9.03 3hb0A1 TRP 273 HA 0.12 0.11 0.67 -0.75 4.62 4.76 3hb0A1 TRP 273 HB2 0.23 0.04 0.14 -0.04 3.23 3.60 3hb0A1 TRP 273 HB3 0.16 0.10 0.11 -0.04 3.23 3.55 3hb0A1 TRP 273 HD1 0.26 0.20 0.10 -0.04 7.22 7.73 3hb0A1 TRP 273 HE1 -0.11 0.07 -0.01 -0.04 10.20 10.11 3hb0A1 TRP 273 HE3 0.08 -0.04 -0.04 -0.04 7.59 7.55 3hb0A1 TRP 273 HZ2 -0.30 0.05 -0.17 -0.04 7.44 6.98 3hb0A1 TRP 273 HZ3 -0.04 -0.03 -0.10 -0.04 7.13 6.92 3hb0A1 TRP 273 HH2 -0.20 -0.01 -0.02 -0.04 7.19 6.92 3hb0A1 ASP 274 H 0.39 0.21 0.32 -0.55 8.40 8.78 3hb0A1 ASP 274 HA 0.22 0.38 0.90 -0.75 4.63 5.39 3hb0A1 ASP 274 HB2 0.25 0.07 0.24 -0.04 2.71 3.22 3hb0A1 ASP 274 HB3 0.26 -0.03 0.20 -0.04 2.70 3.09 3hb0A1 LEU 275 H 0.13 0.01 0.17 -0.55 8.37 8.13 3hb0A1 LEU 275 HA 0.07 0.28 0.93 -0.75 4.35 4.87 3hb0A1 LEU 275 HB2 -0.04 0.17 -0.10 -0.04 1.64 1.63 3hb0A1 LEU 275 HB3 0.02 -0.17 0.17 -0.04 1.64 1.62 3hb0A1 LEU 275 HG -0.09 -0.11 -0.25 -0.04 1.64 1.16 3hb0A1 LEU 275 HD13 -0.12 0.02 -0.11 -0.04 0.93 0.67 3hb0A1 LEU 275 HD23 -0.09 0.01 -0.07 -0.04 0.89 0.70 3hb0A1 ASP 276 H 0.08 0.06 0.18 -0.55 8.40 8.17 3hb0A1 ASP 276 HA -0.01 0.07 0.50 -0.75 4.63 4.43 3hb0A1 ASP 276 HB2 0.17 0.01 0.18 -0.04 2.71 3.03 3hb0A1 ASP 276 HB3 0.20 -0.04 0.06 -0.04 2.70 2.88 3hb0A1 GLU 277 H -0.05 0.43 0.34 -0.55 8.60 8.78 3hb0A1 GLU 277 HA -0.18 0.07 0.36 -0.75 4.29 3.78 3hb0A1 GLU 277 HB2 0.08 0.10 -0.16 -0.04 2.09 2.07 3hb0A1 GLU 277 HB3 0.06 0.11 0.22 -0.04 1.99 2.34 3hb0A1 GLU 277 HG2 0.03 0.05 -0.00 -0.04 2.34 2.38 3hb0A1 GLU 277 HG3 -0.07 0.07 0.08 -0.04 2.34 2.38 3hb0A1 THR 278 H 0.17 0.12 -0.49 -0.55 8.28 7.53 3hb0A1 THR 278 HA 0.43 0.20 0.66 -0.75 4.39 4.93 3hb0A1 THR 278 HB 0.29 -0.03 -0.35 -0.04 4.32 4.19 3hb0A1 THR 278 HG23 0.45 0.02 -0.20 -0.04 1.22 1.45 3hb0A1 ILE 279 H 0.21 0.32 0.14 -0.55 8.25 8.37 3hb0A1 ILE 279 HA 0.18 0.16 0.66 -0.75 4.18 4.43 3hb0A1 ILE 279 HB 0.03 -0.06 0.19 -0.04 1.89 2.02 3hb0A1 ILE 279 HG12 -0.50 0.02 -0.02 -0.04 1.49 0.94 3hb0A1 ILE 279 HG13 0.25 0.04 0.02 -0.04 1.21 1.48 3hb0A1 ILE 279 HG23 -0.05 -0.01 -0.16 -0.04 0.93 0.67 3hb0A1 ILE 279 HD13 -0.30 0.00 -0.04 -0.04 0.88 0.50 3hb0A1 ILE 280 H 0.03 0.33 0.18 -0.55 8.25 8.24 3hb0A1 ILE 280 HA 0.04 0.30 0.93 -0.75 4.18 4.70 3hb0A1 ILE 280 HB -0.77 0.04 -0.05 -0.04 1.89 1.07 3hb0A1 ILE 280 HG12 -0.22 0.06 -0.22 -0.04 1.49 1.08 3hb0A1 ILE 280 HG13 -0.24 -0.27 -0.36 -0.04 1.21 0.30 3hb0A1 ILE 280 HG23 -0.32 0.04 -0.23 -0.04 0.93 0.39 3hb0A1 ILE 280 HD13 -0.65 0.02 -0.20 -0.04 0.88 0.01 3hb0A1 ILE 281 H -0.15 0.35 0.08 -0.55 8.25 7.97 3hb0A1 ILE 281 HA -0.36 0.00 0.82 -0.75 4.18 3.89 3hb0A1 ILE 281 HB -0.40 0.07 0.11 -0.04 1.89 1.62 3hb0A1 ILE 281 HG12 -1.25 -0.03 -0.31 -0.04 1.49 -0.13 3hb0A1 ILE 281 HG13 -1.04 0.10 -0.06 -0.04 1.21 0.17 3hb0A1 ILE 281 HG23 -0.75 0.00 -0.16 -0.04 0.93 -0.02 3hb0A1 ILE 281 HD13 -1.48 0.02 -0.13 -0.04 0.88 -0.75 3hb0A1 PHE 282 H -0.08 -0.09 0.07 -0.55 8.34 7.70 3hb0A1 PHE 282 HA -0.05 0.28 0.65 -0.75 4.62 4.75 3hb0A1 PHE 282 HB2 -0.11 0.18 -0.14 -0.04 3.15 3.04 3hb0A1 PHE 282 HB3 -0.30 -0.14 -0.03 -0.04 3.06 2.55 3hb0A1 PHE 282 HD2 -0.34 -0.03 -0.01 -0.04 7.28 6.86 3hb0A1 PHE 282 HE2 -0.01 0.10 -0.01 -0.04 7.38 7.41 3hb0A1 PHE 282 HZ 0.15 0.02 -0.02 -0.04 7.32 7.43 3hb0A1 HIS 283 H -0.16 0.13 0.16 -0.55 8.41 7.99 3hb0A1 HIS 283 HA -0.56 0.19 0.48 -0.75 4.63 4.00 3hb0A1 HIS 283 HB2 -0.06 -0.06 0.14 -0.04 3.26 3.24 3hb0A1 HIS 283 HB3 -0.09 0.10 0.02 -0.04 3.20 3.18 3hb0A1 HIS 283 HD2 0.07 -0.04 0.03 -0.04 6.97 6.98 3hb0A1 HIS 283 HE1 0.27 0.07 -0.02 -0.04 7.75 8.03 3hb0A1 SER 284 H -0.04 0.01 -0.11 -0.55 8.46 7.78 3hb0A1 SER 284 HA 0.02 0.13 0.41 -0.75 4.49 4.29 3hb0A1 SER 284 HB2 0.10 -0.02 0.10 -0.04 3.95 4.09 3hb0A1 SER 284 HB3 0.03 0.09 0.08 -0.04 3.93 4.08 3hb0A1 LEU 285 H -0.11 0.32 -0.76 -0.55 8.37 7.28 3hb0A1 LEU 285 HA 0.03 0.02 0.53 -0.75 4.35 4.17 3hb0A1 LEU 285 HB2 -0.08 0.25 0.11 -0.04 1.64 1.88 3hb0A1 LEU 285 HB3 -0.01 0.22 0.02 -0.04 1.64 1.83 3hb0A1 LEU 285 HG -0.11 -0.21 -0.26 -0.04 1.64 1.02 3hb0A1 LEU 285 HD13 0.05 0.03 -0.06 -0.04 0.93 0.91 3hb0A1 LEU 285 HD23 -0.11 -0.00 -0.10 -0.04 0.89 0.63 3hb0A1 LEU 286 H -0.11 0.28 -0.06 -0.55 8.37 7.94 3hb0A1 LEU 286 HA -0.03 0.12 0.49 -0.75 4.35 4.18 3hb0A1 LEU 286 HB2 -0.08 0.06 0.13 -0.04 1.64 1.71 3hb0A1 LEU 286 HB3 -0.04 0.04 0.06 -0.04 1.64 1.65 3hb0A1 LEU 286 HG -0.26 0.01 0.08 -0.04 1.64 1.42 3hb0A1 LEU 286 HD13 -0.17 -0.00 -0.00 -0.04 0.93 0.71 3hb0A1 LEU 286 HD23 -0.02 0.03 -0.19 -0.04 0.89 0.67 3hb0A1 THR 287 H -0.02 0.13 -0.16 -0.55 8.28 7.69 3hb0A1 THR 287 HA -0.01 0.22 0.59 -0.75 4.39 4.44 3hb0A1 THR 287 HB -0.00 0.07 0.10 -0.04 4.32 4.45 3hb0A1 THR 287 HG23 -0.02 0.05 0.01 -0.04 1.22 1.22 3hb0A1 GLY 288 H 0.03 0.15 -0.54 -0.55 8.43 7.53 3hb0A1 GLY 288 HA2 0.05 -0.00 0.28 -0.51 4.01 3.83 3hb0A1 GLY 288 HA3 0.03 0.19 0.42 -0.51 4.01 4.14 3hb0A1 THR 289 H 0.04 0.06 -0.32 -0.55 8.28 7.51 3hb0A1 THR 289 HA 0.01 0.19 0.47 -0.75 4.39 4.30 3hb0A1 THR 289 HB 0.02 0.07 0.06 -0.04 4.32 4.42 3hb0A1 THR 289 HG23 0.02 0.01 -0.04 -0.04 1.22 1.17 3hb0A1 PHE 290 H 0.19 0.33 -0.04 -0.55 8.34 8.28 3hb0A1 PHE 290 HA 0.12 0.14 0.42 -0.75 4.62 4.55 3hb0A1 PHE 290 HB2 -0.01 -0.12 -0.05 -0.04 3.15 2.94 3hb0A1 PHE 290 HB3 0.03 -0.01 -0.07 -0.04 3.06 2.97 3hb0A1 PHE 290 HD2 0.00 -0.03 -0.20 -0.04 7.28 7.02 3hb0A1 PHE 290 HE2 -0.15 0.22 0.03 -0.04 7.38 7.44 3hb0A1 PHE 290 HZ -0.03 0.19 0.00 -0.04 7.32 7.45 3hb0A1 ALA 291 H 0.22 0.07 -0.20 -0.55 8.40 7.94 3hb0A1 ALA 291 HA 0.19 0.06 0.27 -0.75 4.34 4.11 3hb0A1 ALA 291 HB3 0.11 0.07 -0.14 -0.04 1.41 1.40 3hb0A1 SER 292 H 0.03 0.31 -0.44 -0.55 8.46 7.81 3hb0A1 SER 292 HA -0.01 0.05 0.45 -0.75 4.49 4.22 3hb0A1 SER 292 HB2 0.00 0.01 0.13 -0.04 3.95 4.05 3hb0A1 SER 292 HB3 -0.02 0.02 0.19 -0.04 3.93 4.09 3hb0A1 ARG 293 H -0.14 0.47 -0.10 -0.55 8.46 8.13 3hb0A1 ARG 293 HA -0.24 0.05 0.49 -0.75 4.34 3.89 3hb0A1 ARG 293 HB2 -0.27 0.05 0.19 -0.04 1.90 1.83 3hb0A1 ARG 293 HB3 -0.82 -0.01 0.17 -0.04 1.80 1.10 3hb0A1 ARG 293 HG2 -0.80 0.01 -0.02 -0.04 1.67 0.82 3hb0A1 ARG 293 HG3 -0.30 -0.02 0.09 -0.04 1.67 1.40 3hb0A1 ARG 293 HD2 -0.66 -0.02 0.02 -0.04 3.22 2.52 3hb0A1 ARG 293 HD3 -0.18 -0.01 0.04 -0.04 3.22 3.02 3hb0A1 TYR 294 H -0.23 0.52 -0.09 -0.55 8.29 7.95 3hb0A1 TYR 294 HA -0.08 0.22 0.92 -0.75 4.56 4.87 3hb0A1 TYR 294 HB2 -0.30 0.01 0.03 -0.04 3.06 2.76 3hb0A1 TYR 294 HB3 -0.08 -0.00 0.14 -0.04 2.98 3.00 3hb0A1 TYR 294 HD2 -0.84 0.08 0.03 -0.04 7.15 6.37 3hb0A1 TYR 294 HE2 -0.14 -0.07 0.02 -0.04 6.85 6.61 3hb0A1 GLY 295 H -0.03 0.24 -0.41 -0.55 8.43 7.69 3hb0A1 GLY 295 HA2 0.02 0.02 0.34 -0.51 4.01 3.88 3hb0A1 GLY 295 HA3 0.03 -0.01 0.35 -0.51 4.01 3.87 3hb0A1 LYS 296 H 0.08 0.49 0.16 -0.55 8.42 8.59 3hb0A1 LYS 296 HA 0.08 0.22 0.91 -0.75 4.32 4.77 3hb0A1 LYS 296 HB2 0.18 -0.17 0.02 -0.04 1.87 1.86 3hb0A1 LYS 296 HB3 0.13 -0.10 0.12 -0.04 1.79 1.90 3hb0A1 LYS 296 HG2 0.22 -0.04 -0.17 -0.04 1.46 1.44 3hb0A1 LYS 296 HG3 0.25 0.22 0.09 -0.04 1.46 1.98 3hb0A1 LYS 296 HD2 0.10 -0.11 0.04 -0.04 1.69 1.68 3hb0A1 LYS 296 HD3 0.11 0.19 -0.69 -0.04 1.68 1.24 3hb0A1 LYS 296 HE2 0.11 0.09 -0.01 -0.04 2.99 3.13 3hb0A1 LYS 296 HE3 0.18 0.02 -0.03 -0.04 2.99 3.12 3hb0A1 ASP 297 H 0.06 0.15 0.15 -0.55 8.40 8.22 3hb0A1 ASP 297 HA 0.04 0.14 0.54 -0.75 4.63 4.59 3hb0A1 ASP 297 HB2 0.04 0.15 0.16 -0.04 2.71 3.02 3hb0A1 ASP 297 HB3 0.04 -0.09 0.18 -0.04 2.70 2.80 3hb0A1 THR 298 H 0.03 0.25 0.23 -0.55 8.28 8.24 3hb0A1 THR 298 HA 0.05 0.07 0.42 -0.75 4.39 4.18 3hb0A1 THR 298 HB 0.03 0.04 0.07 -0.04 4.32 4.41 3hb0A1 THR 298 HG23 0.03 0.04 0.06 -0.04 1.22 1.31 3hb0A1 THR 299 H 0.03 0.12 -0.05 -0.55 8.28 7.83 3hb0A1 THR 299 HA 0.02 0.14 0.46 -0.75 4.39 4.26 3hb0A1 THR 299 HB 0.02 -0.01 0.06 -0.04 4.32 4.35 3hb0A1 THR 299 HG23 0.02 0.02 -0.04 -0.04 1.22 1.18 3hb0A1 THR 300 H 0.03 0.09 -0.33 -0.55 8.28 7.53 3hb0A1 THR 300 HA 0.03 0.10 0.50 -0.75 4.39 4.26 3hb0A1 THR 300 HB 0.04 0.09 0.11 -0.04 4.32 4.52 3hb0A1 THR 300 HG23 0.03 0.01 -0.03 -0.04 1.22 1.19 3hb0A1 SER 301 H 0.05 0.40 -0.18 -0.55 8.46 8.18 3hb0A1 SER 301 HA 0.05 -0.01 0.34 -0.75 4.49 4.12 3hb0A1 SER 301 HB2 0.09 0.07 0.12 -0.04 3.95 4.19 3hb0A1 SER 301 HB3 0.06 0.20 0.25 -0.04 3.93 4.39 3hb0A1 VAL 302 H 0.03 0.47 -0.15 -0.55 8.24 8.05 3hb0A1 VAL 302 HA 0.02 0.05 0.37 -0.75 4.13 3.81 3hb0A1 VAL 302 HB 0.02 0.04 0.11 -0.04 2.12 2.26 3hb0A1 VAL 302 HG13 0.02 -0.01 -0.06 -0.04 0.97 0.87 3hb0A1 VAL 302 HG23 0.02 0.07 0.08 -0.04 0.95 1.07 3hb0A1 ARG 303 H 0.03 0.40 -0.24 -0.55 8.46 8.10 3hb0A1 ARG 303 HA 0.03 0.03 0.43 -0.75 4.34 4.07 3hb0A1 ARG 303 HB2 0.02 0.19 0.21 -0.04 1.90 2.28 3hb0A1 ARG 303 HB3 0.03 0.02 0.18 -0.04 1.80 1.98 3hb0A1 ARG 303 HG2 0.03 -0.04 -0.03 -0.04 1.67 1.58 3hb0A1 ARG 303 HG3 0.02 -0.00 0.04 -0.04 1.67 1.70 3hb0A1 ARG 303 HD2 0.02 0.00 -0.00 -0.04 3.22 3.20 3hb0A1 ARG 303 HD3 0.02 -0.01 0.02 -0.04 3.22 3.21 3hb0A1 ILE 304 H 0.03 0.67 -0.06 -0.55 8.25 8.34 3hb0A1 ILE 304 HA 0.04 0.00 0.39 -0.75 4.18 3.86 3hb0A1 ILE 304 HB 0.03 0.13 0.12 -0.04 1.89 2.13 3hb0A1 ILE 304 HG12 0.01 -0.04 0.03 -0.04 1.49 1.45 3hb0A1 ILE 304 HG13 0.02 0.07 0.08 -0.04 1.21 1.34 3hb0A1 ILE 304 HG23 0.03 -0.02 -0.14 -0.04 0.93 0.76 3hb0A1 ILE 304 HD13 0.01 -0.02 -0.15 -0.04 0.88 0.68 3hb0A1 GLY 305 H 0.04 0.61 -0.20 -0.55 8.43 8.33 3hb0A1 GLY 305 HA2 0.15 -0.03 0.38 -0.51 4.01 4.00 3hb0A1 GLY 305 HA3 0.02 0.04 0.24 -0.51 4.01 3.79 3hb0A1 LEU 306 H 0.06 0.65 -0.18 -0.55 8.37 8.36 3hb0A1 LEU 306 HA 0.12 -0.02 0.50 -0.75 4.35 4.20 3hb0A1 LEU 306 HB2 0.05 0.17 0.18 -0.04 1.64 2.01 3hb0A1 LEU 306 HB3 0.06 -0.05 0.03 -0.04 1.64 1.63 3hb0A1 LEU 306 HG 0.03 0.07 0.08 -0.04 1.64 1.79 3hb0A1 LEU 306 HD13 0.03 -0.01 -0.02 -0.04 0.93 0.89 3hb0A1 LEU 306 HD23 0.04 -0.02 0.02 -0.04 0.89 0.89 3hb0A1 MET 307 H 0.08 0.55 -0.10 -0.55 8.47 8.45 3hb0A1 MET 307 HA 0.07 0.04 0.48 -0.75 4.52 4.36 3hb0A1 MET 307 HB2 0.05 0.10 0.19 -0.04 2.15 2.46 3hb0A1 MET 307 HB3 0.05 -0.04 -0.00 -0.04 2.03 2.00 3hb0A1 MET 307 HG2 0.04 -0.03 0.04 -0.04 2.63 2.63 3hb0A1 MET 307 HG3 0.04 0.07 0.05 -0.04 2.56 2.68 3hb0A1 MET 307 HE3 0.02 -0.00 -0.03 -0.04 2.10 2.05 3hb0A1 MET 308 H 0.13 0.59 -0.08 -0.55 8.47 8.56 3hb0A1 MET 308 HA 0.04 0.04 0.41 -0.75 4.52 4.26 3hb0A1 MET 308 HB2 0.08 0.04 0.09 -0.04 2.15 2.32 3hb0A1 MET 308 HB3 0.30 0.10 0.13 -0.04 2.03 2.51 3hb0A1 MET 308 HG2 0.06 -0.02 -0.03 -0.04 2.63 2.59 3hb0A1 MET 308 HG3 -0.27 -0.07 -0.20 -0.04 2.56 1.98 3hb0A1 MET 308 HE3 -0.32 0.02 -0.05 -0.04 2.10 1.72 3hb0A1 GLU 309 H 0.32 0.51 -0.22 -0.55 8.60 8.67 3hb0A1 GLU 309 HA 0.31 -0.06 0.38 -0.75 4.29 4.16 3hb0A1 GLU 309 HB2 0.48 0.06 0.14 -0.04 2.09 2.72 3hb0A1 GLU 309 HB3 0.24 0.16 0.17 -0.04 1.99 2.52 3hb0A1 GLU 309 HG2 0.30 -0.00 -0.14 -0.04 2.34 2.45 3hb0A1 GLU 309 HG3 0.58 -0.09 0.04 -0.04 2.34 2.83 3hb0A1 GLU 310 H 0.14 0.56 -0.25 -0.55 8.60 8.51 3hb0A1 GLU 310 HA 0.14 -0.02 0.40 -0.75 4.29 4.05 3hb0A1 GLU 310 HB2 0.08 0.02 0.14 -0.04 2.09 2.29 3hb0A1 GLU 310 HB3 0.07 0.20 0.22 -0.04 1.99 2.44 3hb0A1 GLU 310 HG2 0.04 -0.00 -0.01 -0.04 2.34 2.34 3hb0A1 GLU 310 HG3 0.05 -0.01 -0.24 -0.04 2.34 2.09 3hb0A1 MET 311 H 0.06 0.52 -0.11 -0.55 8.47 8.39 3hb0A1 MET 311 HA -0.01 0.02 0.40 -0.75 4.52 4.18 3hb0A1 MET 311 HB2 -0.00 0.07 0.12 -0.04 2.15 2.30 3hb0A1 MET 311 HB3 -0.06 -0.03 0.04 -0.04 2.03 1.94 3hb0A1 MET 311 HG2 0.03 -0.05 0.01 -0.04 2.63 2.58 3hb0A1 MET 311 HG3 0.05 0.21 0.04 -0.04 2.56 2.82 3hb0A1 MET 311 HE3 0.25 -0.00 0.01 -0.04 2.10 2.32 3hb0A1 ILE 312 H -0.04 0.61 -0.19 -0.55 8.25 8.09 3hb0A1 ILE 312 HA -0.22 0.06 0.39 -0.75 4.18 3.66 3hb0A1 ILE 312 HB -0.21 0.11 0.18 -0.04 1.89 1.93 3hb0A1 ILE 312 HG12 -0.26 -0.03 -0.12 -0.04 1.49 1.03 3hb0A1 ILE 312 HG13 -0.21 0.15 -0.01 -0.04 1.21 1.10 3hb0A1 ILE 312 HG23 -0.72 -0.03 -0.16 -0.04 0.93 -0.03 3hb0A1 ILE 312 HD13 -0.71 -0.04 -0.11 -0.04 0.88 -0.02 3hb0A1 PHE 313 H 0.13 0.60 0.00 -0.55 8.34 8.51 3hb0A1 PHE 313 HA -0.11 -0.02 0.51 -0.75 4.62 4.24 3hb0A1 PHE 313 HB2 0.03 0.17 0.13 -0.04 3.15 3.44 3hb0A1 PHE 313 HB3 0.06 -0.03 0.06 -0.04 3.06 3.11 3hb0A1 PHE 313 HD2 0.04 0.15 0.06 -0.04 7.28 7.49 3hb0A1 PHE 313 HE2 0.06 -0.03 -0.00 -0.04 7.38 7.37 3hb0A1 PHE 313 HZ 0.08 -0.05 -0.01 -0.04 7.32 7.30 3hb0A1 ASN 314 H 0.05 0.51 -0.27 -0.55 8.53 8.28 3hb0A1 ASN 314 HA 0.04 0.02 0.52 -0.75 4.76 4.58 3hb0A1 ASN 314 HB2 0.04 0.14 0.11 -0.04 2.88 3.13 3hb0A1 ASN 314 HB3 -0.01 0.05 0.10 -0.04 2.79 2.89 3hb0A1 ASN 314 HD21 -0.00 0.01 0.01 -0.04 7.03 7.00 3hb0A1 ASN 314 HD22 0.02 -0.01 0.02 -0.04 7.74 7.73 3hb0A1 LEU 315 H -0.07 0.52 -0.16 -0.55 8.37 8.11 3hb0A1 LEU 315 HA 0.03 0.08 0.42 -0.75 4.35 4.13 3hb0A1 LEU 315 HB2 -0.14 0.13 0.17 -0.04 1.64 1.75 3hb0A1 LEU 315 HB3 -0.16 0.07 0.14 -0.04 1.64 1.66 3hb0A1 LEU 315 HG -0.19 0.02 -0.01 -0.04 1.64 1.41 3hb0A1 LEU 315 HD13 -0.25 -0.01 0.01 -0.04 0.93 0.64 3hb0A1 LEU 315 HD23 -0.11 -0.04 -0.18 -0.04 0.89 0.53 3hb0A1 ALA 316 H -0.14 0.46 -0.22 -0.55 8.40 7.95 3hb0A1 ALA 316 HA -0.12 0.04 0.34 -0.75 4.34 3.84 3hb0A1 ALA 316 HB3 -0.34 0.01 0.02 -0.04 1.41 1.06 3hb0A1 ASP 317 H 0.06 0.71 -0.08 -0.55 8.40 8.55 3hb0A1 ASP 317 HA 0.13 -0.24 0.47 -0.75 4.63 4.24 3hb0A1 ASP 317 HB2 0.05 0.13 0.18 -0.04 2.71 3.03 3hb0A1 ASP 317 HB3 0.04 -0.01 0.01 -0.04 2.70 2.70 3hb0A1 THR 318 H -0.10 0.62 -0.10 -0.55 8.28 8.15 3hb0A1 THR 318 HA -0.25 0.04 0.48 -0.75 4.39 3.91 3hb0A1 THR 318 HB -0.33 0.09 0.12 -0.04 4.32 4.16 3hb0A1 THR 318 HG23 -0.64 -0.01 -0.01 -0.04 1.22 0.52 3hb0A1 HIS 319 H -0.17 0.39 -0.14 -0.55 8.41 7.95 3hb0A1 HIS 319 HA -0.34 0.26 1.13 -0.75 4.63 4.93 3hb0A1 HIS 319 HB2 -0.20 0.06 0.00 -0.04 3.26 3.08 3hb0A1 HIS 319 HB3 -0.21 -0.03 0.04 -0.04 3.20 2.96 3hb0A1 HIS 319 HD2 -0.19 -0.03 0.01 -0.04 6.97 6.72 3hb0A1 HIS 319 HE1 -0.17 0.01 -0.04 -0.04 7.75 7.51 3hb0A1 LEU 320 H -0.14 0.32 0.07 -0.55 8.37 8.07 3hb0A1 LEU 320 HA -0.10 0.26 0.93 -0.75 4.35 4.69 3hb0A1 LEU 320 HB2 -0.04 -0.06 0.12 -0.04 1.64 1.62 3hb0A1 LEU 320 HB3 -0.01 -0.05 0.13 -0.04 1.64 1.68 3hb0A1 LEU 320 HG -0.06 0.10 -0.18 -0.04 1.64 1.46 3hb0A1 LEU 320 HD13 -0.07 -0.02 -0.14 -0.04 0.93 0.66 3hb0A1 LEU 320 HD23 -0.02 0.07 -0.25 -0.04 0.89 0.65 3hb0A1 PHE 321 H -0.59 0.21 -0.31 -0.55 8.34 7.10 3hb0A1 PHE 321 HA -0.05 0.08 0.29 -0.75 4.62 4.19 3hb0A1 PHE 321 HB2 -0.21 0.12 -0.10 -0.04 3.15 2.92 3hb0A1 PHE 321 HB3 -0.14 -0.10 0.14 -0.04 3.06 2.92 3hb0A1 PHE 321 HD2 -0.20 -0.01 -0.18 -0.04 7.28 6.85 3hb0A1 PHE 321 HE2 -0.40 -0.02 -0.07 -0.04 7.38 6.85 3hb0A1 PHE 321 HZ -1.19 0.03 -0.03 -0.04 7.32 6.09 3hb0A1 PHE 322 H 0.16 0.47 -0.20 -0.55 8.34 8.22 3hb0A1 PHE 322 HA 0.04 0.06 0.32 -0.75 4.62 4.28 3hb0A1 PHE 322 HB2 0.01 0.05 -0.30 -0.04 3.15 2.88 3hb0A1 PHE 322 HB3 0.05 0.00 -0.23 -0.04 3.06 2.84 3hb0A1 PHE 322 HD2 0.13 0.04 -0.05 -0.04 7.28 7.36 3hb0A1 PHE 322 HE2 0.22 0.00 -0.01 -0.04 7.38 7.54 3hb0A1 PHE 322 HZ 0.22 0.01 -0.01 -0.04 7.32 7.51 3hb0A1 ASN 323 H 0.08 0.17 -0.10 -0.55 8.53 8.14 3hb0A1 ASN 323 HA -0.17 0.07 0.41 -0.75 4.76 4.31 3hb0A1 ASN 323 HB2 0.03 -0.02 0.10 -0.04 2.88 2.96 3hb0A1 ASN 323 HB3 0.05 0.05 -0.03 -0.04 2.79 2.82 3hb0A1 ASN 323 HD21 -0.00 0.02 0.01 -0.04 7.03 7.02 3hb0A1 ASN 323 HD22 0.02 -0.03 0.01 -0.04 7.74 7.70 3hb0A1 ASP 324 H 0.12 0.09 -0.50 -0.55 8.40 7.56 3hb0A1 ASP 324 HA 0.24 0.18 0.61 -0.75 4.63 4.90 3hb0A1 ASP 324 HB2 0.15 0.10 0.11 -0.04 2.71 3.03 3hb0A1 ASP 324 HB3 0.22 0.01 -0.04 -0.04 2.70 2.84 3hb0A1 LEU 325 H 0.07 0.55 0.10 -0.55 8.37 8.55 3hb0A1 LEU 325 HA 0.13 0.19 0.71 -0.75 4.35 4.63 3hb0A1 LEU 325 HB2 0.04 0.03 0.02 -0.04 1.64 1.69 3hb0A1 LEU 325 HB3 -0.05 -0.11 0.05 -0.04 1.64 1.48 3hb0A1 LEU 325 HG -0.16 0.08 0.01 -0.04 1.64 1.53 3hb0A1 LEU 325 HD13 -0.73 0.02 -0.13 -0.04 0.93 0.05 3hb0A1 LEU 325 HD23 -0.48 0.00 -0.09 -0.04 0.89 0.29 3hb0A1 GLU 326 H -0.12 0.62 -0.03 -0.55 8.60 8.52 3hb0A1 GLU 326 HA 0.14 -0.09 0.40 -0.75 4.29 3.98 3hb0A1 GLU 326 HB2 -1.39 -0.03 0.12 -0.04 2.09 0.75 3hb0A1 GLU 326 HB3 -0.39 0.10 0.12 -0.04 1.99 1.78 3hb0A1 GLU 326 HG2 -0.07 0.06 -0.26 -0.04 2.34 2.03 3hb0A1 GLU 326 HG3 0.04 -0.09 -0.07 -0.04 2.34 2.17 3hb0A1 ASP 327 H 0.02 0.24 -0.18 -0.55 8.40 7.93 3hb0A1 ASP 327 HA 0.06 0.03 0.32 -0.75 4.63 4.29 3hb0A1 ASP 327 HB2 0.09 0.11 0.02 -0.04 2.71 2.88 3hb0A1 ASP 327 HB3 0.07 0.02 0.14 -0.04 2.70 2.89 3hb0A1 CYS 328 H 0.16 0.42 -0.85 -0.55 8.50 7.68 3hb0A1 CYS 328 HA 0.19 0.19 0.77 -0.75 4.58 4.97 3hb0A1 CYS 328 HB2 0.28 0.16 0.13 -0.04 2.97 3.50 3hb0A1 CYS 328 HB3 0.24 -0.09 0.02 -0.04 2.97 3.09 3hb0A1 ASP 329 H 0.16 0.43 0.14 -0.55 8.40 8.59 3hb0A1 ASP 329 HA 0.13 -0.06 0.35 -0.75 4.63 4.30 3hb0A1 ASP 329 HB2 0.09 0.19 -0.01 -0.04 2.71 2.94 3hb0A1 ASP 329 HB3 0.08 -0.13 0.14 -0.04 2.70 2.75 3hb0A1 GLN 330 H 0.17 0.03 -0.23 -0.55 8.47 7.90 3hb0A1 GLN 330 HA 0.03 0.13 0.41 -0.75 4.36 4.17 3hb0A1 GLN 330 HB2 -0.02 0.07 -0.01 -0.04 2.15 2.15 3hb0A1 GLN 330 HB3 0.01 -0.06 -0.05 -0.04 2.02 1.87 3hb0A1 GLN 330 HG2 -0.22 0.03 -0.13 -0.04 2.40 2.05 3hb0A1 GLN 330 HG3 -0.12 -0.07 0.11 -0.04 2.39 2.27 3hb0A1 GLN 330 HE21 -0.76 -0.05 -0.07 -0.04 6.97 6.06 3hb0A1 GLN 330 HE22 -0.50 0.41 0.06 -0.04 7.69 7.61 3hb0A1 ILE 331 H 0.01 0.12 0.22 -0.55 8.25 8.05 3hb0A1 ILE 331 HA 0.07 0.15 0.82 -0.75 4.18 4.47 3hb0A1 ILE 331 HB 0.07 -0.02 0.19 -0.04 1.89 2.10 3hb0A1 ILE 331 HG12 0.08 0.04 0.11 -0.04 1.49 1.68 3hb0A1 ILE 331 HG13 0.06 0.05 0.11 -0.04 1.21 1.38 3hb0A1 ILE 331 HG23 0.19 0.04 -0.09 -0.04 0.93 1.03 3hb0A1 ILE 331 HD13 0.07 0.00 0.04 -0.04 0.88 0.94 3hb0A1 HIS 332 H 0.01 0.12 0.15 -0.55 8.41 8.16 3hb0A1 HIS 332 HA -0.20 0.33 0.86 -0.75 4.63 4.87 3hb0A1 HIS 332 HB2 -0.22 0.08 -0.13 -0.04 3.26 2.94 3hb0A1 HIS 332 HB3 -0.13 -0.09 0.06 -0.04 3.20 3.00 3hb0A1 HIS 332 HD2 -1.25 0.06 -0.08 -0.04 6.97 5.65 3hb0A1 HIS 332 HE1 -0.10 -0.00 0.02 -0.04 7.75 7.63 3hb0A1 VAL 333 H -0.48 0.34 0.13 -0.55 8.24 7.67 3hb0A1 VAL 333 HA -0.09 0.03 0.30 -0.75 4.13 3.62 3hb0A1 VAL 333 HB -0.04 0.04 -0.07 -0.04 2.12 2.01 3hb0A1 VAL 333 HG13 -0.09 0.01 0.01 -0.04 0.97 0.86 3hb0A1 VAL 333 HG23 -0.33 0.02 -0.01 -0.04 0.95 0.58 3hb0A1 ASP 334 H 0.49 0.13 -0.31 -0.55 8.40 8.17 3hb0A1 ASP 334 HA 0.00 0.17 0.68 -0.75 4.63 4.74 3hb0A1 ASP 334 HB2 0.08 0.06 0.01 -0.04 2.71 2.81 3hb0A1 ASP 334 HB3 0.01 0.01 0.13 -0.04 2.70 2.81 3hb0A1 ASP 335 H -0.05 0.48 -0.30 -0.55 8.40 7.98 3hb0A1 ASP 335 HA -0.07 0.11 0.33 -0.75 4.63 4.25 3hb0A1 ASP 335 HB2 -0.14 0.07 0.13 -0.04 2.71 2.73 3hb0A1 ASP 335 HB3 -0.07 0.04 0.05 -0.04 2.70 2.68 3hb0A1 VAL 336 H -0.14 0.16 -0.40 -0.55 8.24 7.32 3hb0A1 VAL 336 HA -0.04 0.26 0.98 -0.75 4.13 4.57 3hb0A1 VAL 336 HB -0.04 -0.01 0.17 -0.04 2.12 2.20 3hb0A1 VAL 336 HG13 -0.05 0.01 -0.13 -0.04 0.97 0.76 3hb0A1 VAL 336 HG23 -0.12 -0.00 -0.13 -0.04 0.95 0.65 3hb0A1 SER 337 H -0.04 0.58 -0.21 -0.55 8.46 8.23 3hb0A1 SER 337 HA -0.02 0.03 0.37 -0.75 4.49 4.12 3hb0A1 SER 337 HB2 -0.01 0.01 0.10 -0.04 3.95 4.01 3hb0A1 SER 337 HB3 -0.01 -0.06 0.14 -0.04 3.93 3.96 3hb0A1 SER 338 H -0.03 0.08 -0.48 -0.55 8.46 7.49 3hb0A1 SER 338 HA -0.02 0.10 0.37 -0.75 4.49 4.19 3hb0A1 SER 338 HB2 -0.02 -0.02 -0.01 -0.04 3.95 3.87 3hb0A1 SER 338 HB3 -0.01 0.02 -0.00 -0.04 3.93 3.90 3hb0A1 ASP 339 H -0.04 0.29 -0.30 -0.55 8.40 7.80 3hb0A1 ASP 339 HA -0.05 0.17 0.57 -0.75 4.63 4.57 3hb0A1 ASP 339 HB2 -0.09 0.13 -0.05 -0.04 2.71 2.66 3hb0A1 ASP 339 HB3 -0.10 -0.09 -0.08 -0.04 2.70 2.39 3hb0A1 ASP 340 H -0.04 0.44 -0.44 -0.55 8.40 7.81 3hb0A1 ASP 340 HA -0.13 0.05 0.68 -0.75 4.63 4.47 3hb0A1 ASP 340 HB2 -0.01 -0.02 0.02 -0.04 2.71 2.65 3hb0A1 ASP 340 HB3 0.02 0.15 0.10 -0.04 2.70 2.93 3hb0A1 ASN 341 H 0.14 0.11 0.15 -0.55 8.53 8.38 3hb0A1 ASN 341 HA 0.03 0.25 0.66 -0.75 4.76 4.95 3hb0A1 ASN 341 HB2 0.06 0.03 0.13 -0.04 2.88 3.06 3hb0A1 ASN 341 HB3 0.05 0.05 0.05 -0.04 2.79 2.90 3hb0A1 ASN 341 HD21 0.23 -0.01 -0.01 -0.04 7.03 7.19 3hb0A1 ASN 341 HD22 0.13 0.04 0.01 -0.04 7.74 7.88 3hb0A1 GLY 342 H 0.13 0.00 -0.24 -0.55 8.43 7.78 3hb0A1 GLY 342 HA2 0.04 0.02 0.23 -0.51 4.01 3.79 3hb0A1 GLY 342 HA3 0.03 0.14 0.37 -0.51 4.01 4.04 3hb0A1 GLN 343 H 0.04 -0.06 -0.32 -0.55 8.47 7.58 3hb0A1 GLN 343 HA -0.03 0.11 0.35 -0.75 4.36 4.03 3hb0A1 GLN 343 HB2 -0.07 -0.01 0.09 -0.04 2.15 2.11 3hb0A1 GLN 343 HB3 -0.01 0.01 0.01 -0.04 2.02 1.99 3hb0A1 GLN 343 HG2 -0.46 -0.12 -0.14 -0.04 2.40 1.64 3hb0A1 GLN 343 HG3 -0.37 0.18 -0.46 -0.04 2.39 1.70 3hb0A1 GLN 343 HE21 -0.16 0.01 -0.05 -0.04 6.97 6.73 3hb0A1 GLN 343 HE22 -0.93 -0.01 -0.10 -0.04 7.69 6.61 3hb0A1 ASP 344 H -0.07 0.11 0.15 -0.55 8.40 8.05 3hb0A1 ASP 344 HA -0.06 0.12 0.55 -0.75 4.63 4.49 3hb0A1 ASP 344 HB2 -0.03 0.09 0.14 -0.04 2.71 2.87 3hb0A1 ASP 344 HB3 -0.04 -0.00 0.17 -0.04 2.70 2.79 3hb0A1 LEU 345 H -0.06 0.22 0.16 -0.55 8.37 8.14 3hb0A1 LEU 345 HA -0.16 0.15 0.82 -0.75 4.35 4.41 3hb0A1 LEU 345 HB2 0.01 0.04 0.04 -0.04 1.64 1.69 3hb0A1 LEU 345 HB3 0.03 0.02 0.13 -0.04 1.64 1.78 3hb0A1 LEU 345 HG -0.27 0.16 -0.21 -0.04 1.64 1.28 3hb0A1 LEU 345 HD13 -0.04 0.00 -0.04 -0.04 0.93 0.82 3hb0A1 LEU 345 HD23 -1.20 -0.00 -0.15 -0.04 0.89 -0.50 3hb0A1 SER 346 H -0.00 0.05 -0.15 -0.55 8.46 7.81 3hb0A1 SER 346 HA 0.06 0.13 0.39 -0.75 4.49 4.31 3hb0A1 SER 346 HB2 0.01 -0.05 0.04 -0.04 3.95 3.91 3hb0A1 SER 346 HB3 0.02 0.07 -0.02 -0.04 3.93 3.96 3hb0A1 THR 347 H 0.02 0.03 -0.23 -0.55 8.28 7.55 3hb0A1 THR 347 HA 0.04 0.29 0.89 -0.75 4.39 4.85 3hb0A1 THR 347 HB -0.00 0.01 0.10 -0.04 4.32 4.38 3hb0A1 THR 347 HG23 0.01 -0.01 -0.15 -0.04 1.22 1.04 3hb0A1 TYR 348 H 0.07 0.02 -0.38 -0.55 8.29 7.45 3hb0A1 TYR 348 HA -0.18 0.02 0.37 -0.75 4.56 4.01 3hb0A1 TYR 348 HB2 -0.33 0.03 0.10 -0.04 3.06 2.82 3hb0A1 TYR 348 HB3 -0.38 0.11 0.07 -0.04 2.98 2.74 3hb0A1 TYR 348 HD2 -1.31 -0.02 -0.18 -0.04 7.15 5.60 3hb0A1 TYR 348 HE2 -0.53 -0.01 -0.13 -0.04 6.85 6.13 3hb0A1 ASN 349 H -0.63 0.16 0.11 -0.55 8.53 7.62 3hb0A1 ASN 349 HA -0.08 0.18 0.85 -0.75 4.76 4.96 3hb0A1 ASN 349 HB2 -0.12 0.13 0.06 -0.04 2.88 2.91 3hb0A1 ASN 349 HB3 -0.23 0.06 0.18 -0.04 2.79 2.76 3hb0A1 ASN 349 HD21 0.03 -0.02 0.01 -0.04 7.03 7.00 3hb0A1 ASN 349 HD22 0.03 0.14 0.05 -0.04 7.74 7.92 3hb0A1 PHE 350 H 0.27 0.31 0.05 -0.55 8.34 8.42 3hb0A1 PHE 350 HA 0.05 0.10 0.26 -0.75 4.62 4.27 3hb0A1 PHE 350 HB2 0.29 0.01 0.05 -0.04 3.15 3.46 3hb0A1 PHE 350 HB3 0.16 -0.02 -0.03 -0.04 3.06 3.13 3hb0A1 PHE 350 HD2 0.03 0.02 -0.01 -0.04 7.28 7.28 3hb0A1 PHE 350 HE2 -0.07 0.03 -0.19 -0.04 7.38 7.12 3hb0A1 PHE 350 HZ -0.15 0.01 -0.08 -0.04 7.32 7.06 3hb0A1 SER 351 H 0.15 0.08 -0.19 -0.55 8.46 7.96 3hb0A1 SER 351 HA 0.16 0.07 0.45 -0.75 4.49 4.43 3hb0A1 SER 351 HB2 0.08 0.02 0.03 -0.04 3.95 4.04 3hb0A1 SER 351 HB3 0.10 0.03 0.08 -0.04 3.93 4.10 3hb0A1 ALA 352 H -0.01 0.11 -0.24 -0.55 8.40 7.71 3hb0A1 ALA 352 HA 0.04 0.13 0.80 -0.75 4.34 4.56 3hb0A1 ALA 352 HB3 -0.02 0.01 0.12 -0.04 1.41 1.48 3hb0A1 ASP 353 H 0.05 0.13 -0.23 -0.55 8.40 7.81 3hb0A1 ASP 353 HA -0.03 0.16 0.70 -0.75 4.63 4.71 3hb0A1 ASP 353 HB2 -0.06 -0.03 0.05 -0.04 2.71 2.62 3hb0A1 ASP 353 HB3 -0.18 0.21 -0.26 -0.04 2.70 2.43 3hb0A1 GLY 354 H 0.07 0.01 0.11 -0.55 8.43 8.07 3hb0A1 GLY 354 HA2 -0.09 -0.01 0.34 -0.51 4.01 3.74 3hb0A1 GLY 354 HA3 -0.04 0.07 0.34 -0.51 4.01 3.87 3hb0A1 PHE 355 H -0.02 0.04 0.02 -0.55 8.34 7.82 3hb0A1 PHE 355 HA -0.08 0.23 0.81 -0.75 4.62 4.82 3hb0A1 PHE 355 HB2 -0.06 0.06 -0.06 -0.04 3.15 3.05 3hb0A1 PHE 355 HB3 0.02 -0.09 0.14 -0.04 3.06 3.09 3hb0A1 PHE 355 HD2 -0.26 -0.03 -0.04 -0.04 7.28 6.91 3hb0A1 PHE 355 HE2 -1.09 0.11 -0.12 -0.04 7.38 6.25 3hb0A1 PHE 355 HZ -0.39 0.01 -0.12 -0.04 7.32 6.79 3hb0A1 HIS 356 H 0.30 0.08 0.05 -0.55 8.41 8.30 3hb0A1 HIS 356 HA 0.02 0.03 0.20 -0.75 4.63 4.13 3hb0A1 HIS 356 HB2 -0.02 0.24 0.09 -0.04 3.26 3.53 3hb0A1 HIS 356 HB3 -0.01 -0.00 0.03 -0.04 3.20 3.18 3hb0A1 HIS 356 HD2 0.11 -0.01 0.01 -0.04 6.97 7.04 3hb0A1 HIS 356 HE1 0.05 0.03 -0.07 -0.04 7.75 7.71 3hb0A1 GLY 372 HA2 -0.09 -0.08 0.25 -0.51 4.01 3.58 3hb0A1 GLY 372 HA3 -0.14 -0.04 0.22 -0.51 4.01 3.54 3hb0A1 GLY 373 H 0.04 -0.21 0.22 -0.55 8.43 7.93 3hb0A1 GLY 373 HA2 -0.01 0.22 0.62 -0.51 4.01 4.33 3hb0A1 GLY 373 HA3 -0.03 0.13 0.32 -0.51 4.01 3.91 3hb0A1 VAL 374 H 0.13 -0.20 0.29 -0.55 8.24 7.92 3hb0A1 VAL 374 HA 0.10 0.31 0.92 -0.75 4.13 4.69 3hb0A1 VAL 374 HB 0.05 -0.06 0.13 -0.04 2.12 2.19 3hb0A1 VAL 374 HG13 0.03 0.03 -0.08 -0.04 0.97 0.91 3hb0A1 VAL 374 HG23 0.03 0.03 -0.16 -0.04 0.95 0.81 3hb0A1 ASP 375 H 0.10 0.12 0.27 -0.55 8.40 8.34 3hb0A1 ASP 375 HA 0.03 0.20 0.61 -0.75 4.63 4.71 3hb0A1 ASP 375 HB2 0.06 0.01 0.17 -0.04 2.71 2.91 3hb0A1 ASP 375 HB3 0.10 0.05 0.08 -0.04 2.70 2.88 3hb0A1 TRP 376 H 0.30 -0.24 -0.13 -0.55 7.97 7.35 3hb0A1 TRP 376 HA 0.10 0.24 0.53 -0.75 4.62 4.74 3hb0A1 TRP 376 HB2 0.01 0.03 0.02 -0.04 3.23 3.25 3hb0A1 TRP 376 HB3 0.02 -0.12 -0.19 -0.04 3.23 2.90 3hb0A1 TRP 376 HD1 -0.11 0.12 0.08 -0.04 7.22 7.27 3hb0A1 TRP 376 HE1 -0.80 0.02 -0.24 -0.04 10.20 9.14 3hb0A1 TRP 376 HE3 0.07 -0.10 -0.41 -0.04 7.59 7.11 3hb0A1 TRP 376 HZ2 -0.18 0.04 -0.14 -0.04 7.44 7.13 3hb0A1 TRP 376 HZ3 0.08 0.00 -0.10 -0.04 7.13 7.07 3hb0A1 TRP 376 HH2 0.12 0.02 -0.09 -0.04 7.19 7.19 3hb0A1 MET 377 H 0.31 -0.03 -0.41 -0.55 8.47 7.78 3hb0A1 MET 377 HA 0.06 0.08 0.31 -0.75 4.52 4.22 3hb0A1 MET 377 HB2 0.09 0.13 0.06 -0.04 2.15 2.39 3hb0A1 MET 377 HB3 0.04 0.01 -0.01 -0.04 2.03 2.03 3hb0A1 MET 377 HG2 0.33 -0.03 -0.22 -0.04 2.63 2.66 3hb0A1 MET 377 HG3 0.14 0.08 0.05 -0.04 2.56 2.79 3hb0A1 MET 377 HE3 0.08 -0.00 0.03 -0.04 2.10 2.16 3hb0A1 ARG 378 H -0.07 0.19 -0.56 -0.55 8.46 7.47 3hb0A1 ARG 378 HA -0.34 0.23 0.45 -0.75 4.34 3.92 3hb0A1 ARG 378 HB2 -0.18 0.05 0.14 -0.04 1.90 1.87 3hb0A1 ARG 378 HB3 -0.25 0.08 0.06 -0.04 1.80 1.65 3hb0A1 ARG 378 HG2 -0.96 -0.08 -0.06 -0.04 1.67 0.54 3hb0A1 ARG 378 HG3 -0.65 0.19 0.21 -0.04 1.67 1.38 3hb0A1 ARG 378 HD2 -0.14 -0.04 0.02 -0.04 3.22 3.02 3hb0A1 ARG 378 HD3 -0.12 0.02 0.04 -0.04 3.22 3.11 3hb0A1 LYS 379 H -0.22 0.26 -0.31 -0.55 8.42 7.59 3hb0A1 LYS 379 HA -0.23 0.03 0.42 -0.75 4.32 3.78 3hb0A1 LYS 379 HB2 -0.13 0.10 0.08 -0.04 1.87 1.89 3hb0A1 LYS 379 HB3 -0.11 -0.05 0.00 -0.04 1.79 1.58 3hb0A1 LYS 379 HG2 0.11 -0.05 0.00 -0.04 1.46 1.48 3hb0A1 LYS 379 HG3 -0.03 0.13 0.12 -0.04 1.46 1.65 3hb0A1 LYS 379 HD2 0.13 -0.05 0.04 -0.04 1.69 1.77 3hb0A1 LYS 379 HD3 0.12 0.01 -0.12 -0.04 1.68 1.65 3hb0A1 LYS 379 HE2 0.10 -0.07 0.04 -0.04 2.99 3.02 3hb0A1 LYS 379 HE3 0.08 0.01 0.03 -0.04 2.99 3.07 3hb0A1 LEU 380 H -0.43 0.38 -0.40 -0.55 8.37 7.36 3hb0A1 LEU 380 HA -0.74 0.03 0.38 -0.75 4.35 3.27 3hb0A1 LEU 380 HB2 -0.60 0.12 0.08 -0.04 1.64 1.20 3hb0A1 LEU 380 HB3 -0.19 0.06 0.06 -0.04 1.64 1.53 3hb0A1 LEU 380 HG -0.58 0.04 -0.07 -0.04 1.64 0.99 3hb0A1 LEU 380 HD13 0.11 -0.01 -0.07 -0.04 0.93 0.91 3hb0A1 LEU 380 HD23 -0.12 -0.02 -0.03 -0.04 0.89 0.68 3hb0A1 ALA 381 H -0.22 0.56 -0.13 -0.55 8.40 8.07 3hb0A1 ALA 381 HA 0.02 -0.04 0.28 -0.75 4.34 3.85 3hb0A1 ALA 381 HB3 -0.15 0.07 -0.04 -0.04 1.41 1.25 3hb0A1 PHE 382 H -0.24 0.50 -0.34 -0.55 8.34 7.70 3hb0A1 PHE 382 HA -0.13 -0.02 0.35 -0.75 4.62 4.07 3hb0A1 PHE 382 HB2 -0.26 0.13 0.10 -0.04 3.15 3.07 3hb0A1 PHE 382 HB3 -0.31 -0.04 -0.07 -0.04 3.06 2.61 3hb0A1 PHE 382 HD2 -0.35 -0.02 -0.05 -0.04 7.28 6.81 3hb0A1 PHE 382 HE2 -0.15 -0.13 -0.01 -0.04 7.38 7.05 3hb0A1 PHE 382 HZ -0.13 -0.02 -0.01 -0.04 7.32 7.12 3hb0A1 ARG 383 H -0.19 0.45 -0.35 -0.55 8.46 7.83 3hb0A1 ARG 383 HA -0.73 0.01 0.40 -0.75 4.34 3.26 3hb0A1 ARG 383 HB2 -0.59 0.22 0.19 -0.04 1.90 1.68 3hb0A1 ARG 383 HB3 -0.73 -0.05 -0.04 -0.04 1.80 0.93 3hb0A1 ARG 383 HG2 -2.18 -0.06 -0.01 -0.04 1.67 -0.62 3hb0A1 ARG 383 HG3 -0.53 0.00 -0.01 -0.04 1.67 1.09 3hb0A1 ARG 383 HD2 -0.82 0.01 -0.04 -0.04 3.22 2.32 3hb0A1 ARG 383 HD3 -0.46 -0.09 -0.03 -0.04 3.22 2.60 3hb0A1 TYR 384 H -0.05 0.48 -0.07 -0.55 8.29 8.10 3hb0A1 TYR 384 HA -0.05 0.01 0.42 -0.75 4.56 4.18 3hb0A1 TYR 384 HB2 -0.07 0.07 0.11 -0.04 3.06 3.13 3hb0A1 TYR 384 HB3 -0.04 0.09 0.06 -0.04 2.98 3.04 3hb0A1 TYR 384 HD2 -0.07 0.05 -0.06 -0.04 7.15 7.02 3hb0A1 TYR 384 HE2 -0.01 -0.03 -0.08 -0.04 6.85 6.69 3hb0A1 ARG 385 H 0.07 0.60 -0.21 -0.55 8.46 8.37 3hb0A1 ARG 385 HA 0.06 0.02 0.51 -0.75 4.34 4.17 3hb0A1 ARG 385 HB2 0.06 -0.01 0.05 -0.04 1.90 1.97 3hb0A1 ARG 385 HB3 0.08 0.12 0.10 -0.04 1.80 2.06 3hb0A1 ARG 385 HG2 0.04 0.01 -0.25 -0.04 1.67 1.42 3hb0A1 ARG 385 HG3 0.04 -0.07 0.03 -0.04 1.67 1.62 3hb0A1 ARG 385 HD2 0.02 0.01 -0.04 -0.04 3.22 3.17 3hb0A1 ARG 385 HD3 0.04 -0.00 -0.02 -0.04 3.22 3.20 3hb0A1 ARG 386 H 0.00 0.57 -0.15 -0.55 8.46 8.33 3hb0A1 ARG 386 HA 0.07 -0.01 0.47 -0.75 4.34 4.12 3hb0A1 ARG 386 HB2 0.15 -0.02 0.09 -0.04 1.90 2.09 3hb0A1 ARG 386 HB3 -0.17 0.14 0.18 -0.04 1.80 1.90 3hb0A1 ARG 386 HG2 0.22 -0.00 -0.04 -0.04 1.67 1.80 3hb0A1 ARG 386 HG3 0.14 -0.04 -0.14 -0.04 1.67 1.58 3hb0A1 ARG 386 HD2 0.34 0.02 0.01 -0.04 3.22 3.55 3hb0A1 ARG 386 HD3 0.15 0.02 0.01 -0.04 3.22 3.35 3hb0A1 VAL 387 H 0.02 0.42 -0.32 -0.55 8.24 7.81 3hb0A1 VAL 387 HA 0.08 0.06 0.42 -0.75 4.13 3.94 3hb0A1 VAL 387 HB 0.03 0.23 0.23 -0.04 2.12 2.57 3hb0A1 VAL 387 HG13 0.02 -0.04 -0.17 -0.04 0.97 0.75 3hb0A1 VAL 387 HG23 0.05 0.02 0.01 -0.04 0.95 0.99 3hb0A1 LYS 388 H 0.05 0.53 -0.10 -0.55 8.42 8.35 3hb0A1 LYS 388 HA 0.00 -0.04 0.38 -0.75 4.32 3.90 3hb0A1 LYS 388 HB2 -0.00 -0.04 0.10 -0.04 1.87 1.89 3hb0A1 LYS 388 HB3 0.03 0.16 0.21 -0.04 1.79 2.16 3hb0A1 LYS 388 HG2 0.04 0.03 -0.31 -0.04 1.46 1.18 3hb0A1 LYS 388 HG3 -0.00 -0.09 0.01 -0.04 1.46 1.34 3hb0A1 LYS 388 HD2 0.02 0.03 -0.03 -0.04 1.69 1.68 3hb0A1 LYS 388 HD3 0.02 0.00 -0.05 -0.04 1.68 1.61 3hb0A1 LYS 388 HE2 -0.02 -0.06 -0.07 -0.04 2.99 2.79 3hb0A1 LYS 388 HE3 0.01 0.01 -0.10 -0.04 2.99 2.87 3hb0A1 GLU 389 H 0.06 0.57 -0.26 -0.55 8.60 8.43 3hb0A1 GLU 389 HA 0.04 0.01 0.45 -0.75 4.29 4.03 3hb0A1 GLU 389 HB2 0.06 0.10 0.14 -0.04 2.09 2.35 3hb0A1 GLU 389 HB3 0.03 -0.06 0.04 -0.04 1.99 1.95 3hb0A1 GLU 389 HG2 0.03 -0.05 0.00 -0.04 2.34 2.27 3hb0A1 GLU 389 HG3 0.04 0.44 0.08 -0.04 2.34 2.86 3hb0A1 MET 390 H 0.09 0.70 -0.08 -0.55 8.47 8.63 3hb0A1 MET 390 HA 0.19 -0.01 0.40 -0.75 4.52 4.35 3hb0A1 MET 390 HB2 0.09 0.10 0.18 -0.04 2.15 2.48 3hb0A1 MET 390 HB3 0.09 -0.09 -0.01 -0.04 2.03 1.98 3hb0A1 MET 390 HG2 0.09 0.38 0.14 -0.04 2.63 3.20 3hb0A1 MET 390 HG3 0.03 0.10 0.05 -0.04 2.56 2.69 3hb0A1 MET 390 HE3 0.00 -0.00 0.03 -0.04 2.10 2.09 3hb0A1 TYR 391 H 0.19 0.66 -0.14 -0.55 8.29 8.45 3hb0A1 TYR 391 HA 0.01 -0.03 0.34 -0.75 4.56 4.12 3hb0A1 TYR 391 HB2 -0.01 0.01 0.07 -0.04 3.06 3.10 3hb0A1 TYR 391 HB3 0.00 0.15 0.15 -0.04 2.98 3.24 3hb0A1 TYR 391 HD2 -0.02 0.01 -0.12 -0.04 7.15 6.99 3hb0A1 TYR 391 HE2 0.00 0.00 0.03 -0.04 6.85 6.84 3hb0A1 ASN 392 H 0.15 0.51 -0.17 -0.55 8.53 8.47 3hb0A1 ASN 392 HA 0.04 0.06 0.54 -0.75 4.76 4.64 3hb0A1 ASN 392 HB2 0.04 0.08 0.16 -0.04 2.88 3.12 3hb0A1 ASN 392 HB3 0.02 -0.03 0.01 -0.04 2.79 2.75 3hb0A1 ASN 392 HD21 0.07 -0.11 -0.00 -0.04 7.03 6.95 3hb0A1 ASN 392 HD22 0.06 0.02 -0.05 -0.04 7.74 7.72 3hb0A1 THR 393 H -0.08 0.60 -0.05 -0.55 8.28 8.20 3hb0A1 THR 393 HA -0.18 0.12 0.59 -0.75 4.39 4.16 3hb0A1 THR 393 HB -0.32 -0.05 0.10 -0.04 4.32 4.01 3hb0A1 THR 393 HG23 -0.12 0.16 0.07 -0.04 1.22 1.28 3hb0A1 TYR 394 H -0.07 0.45 -0.28 -0.55 8.29 7.84 3hb0A1 TYR 394 HA -0.11 0.19 0.93 -0.75 4.56 4.82 3hb0A1 TYR 394 HB2 -0.16 0.20 -0.00 -0.04 3.06 3.06 3hb0A1 TYR 394 HB3 -0.18 -0.16 -0.04 -0.04 2.98 2.56 3hb0A1 TYR 394 HD2 -0.11 0.10 0.04 -0.04 7.15 7.14 3hb0A1 TYR 394 HE2 -0.07 -0.01 -0.08 -0.04 6.85 6.65 3hb0A1 LYS 395 H -0.14 0.41 -0.18 -0.55 8.42 7.95 3hb0A1 LYS 395 HA -0.25 -0.02 0.37 -0.75 4.32 3.66 3hb0A1 LYS 395 HB2 -0.26 -0.23 -0.15 -0.04 1.87 1.19 3hb0A1 LYS 395 HB3 -0.54 0.22 0.12 -0.04 1.79 1.55 3hb0A1 LYS 395 HG2 -0.12 0.18 0.04 -0.04 1.46 1.52 3hb0A1 LYS 395 HG3 -0.10 -0.07 -0.19 -0.04 1.46 1.06 3hb0A1 LYS 395 HD2 -0.06 0.03 -0.27 -0.04 1.69 1.35 3hb0A1 LYS 395 HD3 -0.09 -0.02 -0.07 -0.04 1.68 1.47 3hb0A1 LYS 395 HE2 -0.02 0.18 0.10 -0.04 2.99 3.21 3hb0A1 LYS 395 HE3 -0.03 -0.03 -0.03 -0.04 2.99 2.86 3hb0A1 ASN 396 H -0.07 0.19 -0.52 -0.55 8.53 7.59 3hb0A1 ASN 396 HA -0.02 0.19 0.88 -0.75 4.76 5.06 3hb0A1 ASN 396 HB2 -0.04 0.05 -0.01 -0.04 2.88 2.85 3hb0A1 ASN 396 HB3 -0.02 -0.01 0.17 -0.04 2.79 2.89 3hb0A1 ASN 396 HD21 -0.04 0.05 -0.08 -0.04 7.03 6.92 3hb0A1 ASN 396 HD22 -0.04 0.04 -0.07 -0.04 7.74 7.62 3hb0A1 ASN 397 H -0.01 0.70 -0.39 -0.55 8.53 8.28 3hb0A1 ASN 397 HA 0.03 0.08 0.58 -0.75 4.76 4.70 3hb0A1 ASN 397 HB2 0.01 0.17 -0.12 -0.04 2.88 2.90 3hb0A1 ASN 397 HB3 0.08 0.11 0.10 -0.04 2.79 3.04 3hb0A1 ASN 397 HD21 0.11 -0.01 0.06 -0.04 7.03 7.15 3hb0A1 ASN 397 HD22 0.15 0.15 0.05 -0.04 7.74 8.05 3hb0A1 VAL 398 H -0.05 0.25 0.02 -0.55 8.24 7.91 3hb0A1 VAL 398 HA -0.28 0.11 0.43 -0.75 4.13 3.63 3hb0A1 VAL 398 HB -0.56 -0.01 0.05 -0.04 2.12 1.57 3hb0A1 VAL 398 HG13 -0.95 -0.01 -0.12 -0.04 0.97 -0.15 3hb0A1 VAL 398 HG23 -0.18 0.10 0.04 -0.04 0.95 0.87 3hb0A1 GLY 399 H -0.04 0.11 -0.32 -0.55 8.43 7.63 3hb0A1 GLY 399 HA2 -0.15 0.05 0.38 -0.51 4.01 3.78 3hb0A1 GLY 399 HA3 0.05 0.05 0.20 -0.51 4.01 3.80 3hb0A1 GLY 400 H -0.05 0.26 -0.32 -0.55 8.43 7.78 3hb0A1 GLY 400 HA2 -0.04 0.02 0.45 -0.51 4.01 3.93 3hb0A1 GLY 400 HA3 0.03 0.09 0.30 -0.51 4.01 3.92 3hb0A1 LEU 401 H -0.37 0.28 -0.09 -0.55 8.37 7.64 3hb0A1 LEU 401 HA -0.99 0.08 0.41 -0.75 4.35 3.09 3hb0A1 LEU 401 HB2 -1.30 0.01 0.06 -0.04 1.64 0.37 3hb0A1 LEU 401 HB3 -0.58 0.00 0.15 -0.04 1.64 1.17 3hb0A1 LEU 401 HG -0.97 0.03 -0.41 -0.04 1.64 0.24 3hb0A1 LEU 401 HD13 -0.84 0.01 -0.01 -0.04 0.93 0.04 3hb0A1 LEU 401 HD23 -0.38 -0.01 -0.10 -0.04 0.89 0.35 3hb0A1 ILE 402 H -0.43 0.56 -0.03 -0.55 8.25 7.79 3hb0A1 ILE 402 HA -0.27 0.01 0.40 -0.75 4.18 3.58 3hb0A1 ILE 402 HB -0.48 0.20 0.12 -0.04 1.89 1.69 3hb0A1 ILE 402 HG12 -0.38 -0.05 -0.04 -0.04 1.49 0.98 3hb0A1 ILE 402 HG13 -0.17 -0.03 0.03 -0.04 1.21 1.00 3hb0A1 ILE 402 HG23 -0.19 -0.01 -0.22 -0.04 0.93 0.47 3hb0A1 ILE 402 HD13 -0.30 0.00 -0.02 -0.04 0.88 0.52 3hb0A1 GLY 403 H -0.19 0.25 -0.57 -0.55 8.43 7.38 3hb0A1 GLY 403 HA2 -0.07 0.05 0.34 -0.51 4.01 3.82 3hb0A1 GLY 403 HA3 -0.07 0.14 0.40 -0.51 4.01 3.97 3hb0A1 THR 404 H -0.02 0.18 0.18 -0.55 8.28 8.07 3hb0A1 THR 404 HA 0.00 -0.16 0.61 -0.75 4.39 4.08 3hb0A1 THR 404 HB -0.00 0.07 0.12 -0.04 4.32 4.46 3hb0A1 THR 404 HG23 0.01 0.00 0.02 -0.04 1.22 1.21 3hb0A1 PRO 405 HA 0.01 -0.02 0.38 -0.51 4.44 4.31 3hb0A1 PRO 405 HB2 0.01 -0.00 0.09 -0.04 2.28 2.34 3hb0A1 PRO 405 HB3 0.01 0.06 0.11 -0.04 2.02 2.15 3hb0A1 PRO 405 HG2 0.01 0.03 -0.02 -0.04 2.03 2.00 3hb0A1 PRO 405 HG3 0.00 0.06 0.07 -0.04 2.03 2.12 3hb0A1 PRO 405 HD2 -0.00 0.18 0.39 -0.04 3.68 4.21 3hb0A1 PRO 405 HD3 -0.00 0.11 0.13 -0.04 3.65 3.84 3hb0A1 LYS 406 H -0.00 0.36 -0.14 -0.55 8.42 8.09 3hb0A1 LYS 406 HA 0.03 -0.01 0.40 -0.75 4.32 3.98 3hb0A1 LYS 406 HB2 -0.04 0.41 0.01 -0.04 1.87 2.21 3hb0A1 LYS 406 HB3 -0.04 -0.07 -0.02 -0.04 1.79 1.63 3hb0A1 LYS 406 HG2 -0.00 -0.08 0.01 -0.04 1.46 1.35 3hb0A1 LYS 406 HG3 -0.01 -0.02 -0.01 -0.04 1.46 1.38 3hb0A1 LYS 406 HD2 -0.03 0.30 0.04 -0.04 1.69 1.96 3hb0A1 LYS 406 HD3 -0.04 -0.07 -0.00 -0.04 1.68 1.52 3hb0A1 LYS 406 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.93 3hb0A1 LYS 406 HE3 -0.02 0.02 -0.02 -0.04 2.99 2.93 3hb0A1 ARG 407 H 0.02 0.41 -0.19 -0.55 8.46 8.15 3hb0A1 ARG 407 HA 0.21 0.07 0.32 -0.75 4.34 4.18 3hb0A1 ARG 407 HB2 0.04 0.15 -0.01 -0.04 1.90 2.04 3hb0A1 ARG 407 HB3 0.05 -0.07 -0.06 -0.04 1.80 1.69 3hb0A1 ARG 407 HG2 0.12 -0.00 -0.41 -0.04 1.67 1.34 3hb0A1 ARG 407 HG3 0.30 -0.04 -0.09 -0.04 1.67 1.81 3hb0A1 ARG 407 HD2 0.07 -0.04 -0.10 -0.04 3.22 3.11 3hb0A1 ARG 407 HD3 0.05 0.02 -0.10 -0.04 3.22 3.14 3hb0A1 GLU 408 H 0.06 0.17 -0.18 -0.55 8.60 8.11 3hb0A1 GLU 408 HA 0.04 0.06 0.43 -0.75 4.29 4.07 3hb0A1 GLU 408 HB2 0.03 0.11 0.14 -0.04 2.09 2.33 3hb0A1 GLU 408 HB3 0.01 0.02 0.01 -0.04 1.99 1.99 3hb0A1 GLU 408 HG2 0.01 0.04 0.03 -0.04 2.34 2.39 3hb0A1 GLU 408 HG3 0.02 0.02 0.02 -0.04 2.34 2.36 3hb0A1 THR 409 H 0.06 0.41 -0.13 -0.55 8.28 8.07 3hb0A1 THR 409 HA 0.02 0.02 0.41 -0.75 4.39 4.09 3hb0A1 THR 409 HB 0.06 0.12 0.11 -0.04 4.32 4.57 3hb0A1 THR 409 HG23 0.04 -0.01 -0.03 -0.04 1.22 1.17 3hb0A1 TRP 410 H 0.23 0.50 -0.33 -0.55 7.97 7.82 3hb0A1 TRP 410 HA -0.08 -0.02 0.47 -0.75 4.62 4.24 3hb0A1 TRP 410 HB2 -0.08 0.02 0.08 -0.04 3.23 3.21 3hb0A1 TRP 410 HB3 -0.07 0.18 0.22 -0.04 3.23 3.52 3hb0A1 TRP 410 HD1 -0.15 -0.07 0.06 -0.04 7.22 7.01 3hb0A1 TRP 410 HE1 -0.20 0.37 0.18 -0.04 10.20 10.52 3hb0A1 TRP 410 HE3 -0.07 0.08 0.00 -0.04 7.59 7.55 3hb0A1 TRP 410 HZ2 -0.11 0.11 0.01 -0.04 7.44 7.40 3hb0A1 TRP 410 HZ3 -0.07 -0.08 -0.06 -0.04 7.13 6.89 3hb0A1 TRP 410 HH2 -0.08 -0.01 -0.02 -0.04 7.19 7.04 3hb0A1 LEU 411 H -0.01 0.56 -0.02 -0.55 8.37 8.36 3hb0A1 LEU 411 HA -0.73 0.04 0.48 -0.75 4.35 3.38 3hb0A1 LEU 411 HB2 -0.11 0.09 0.17 -0.04 1.64 1.75 3hb0A1 LEU 411 HB3 -0.22 -0.03 0.04 -0.04 1.64 1.39 3hb0A1 LEU 411 HG -0.03 0.15 0.06 -0.04 1.64 1.78 3hb0A1 LEU 411 HD13 -0.02 -0.02 -0.04 -0.04 0.93 0.81 3hb0A1 LEU 411 HD23 -0.64 -0.01 -0.01 -0.04 0.89 0.19 3hb0A1 GLN 412 H -0.09 0.47 -0.23 -0.55 8.47 8.07 3hb0A1 GLN 412 HA -0.10 0.05 0.47 -0.75 4.36 4.02 3hb0A1 GLN 412 HB2 -0.04 0.11 0.16 -0.04 2.15 2.35 3hb0A1 GLN 412 HB3 -0.04 -0.05 0.02 -0.04 2.02 1.91 3hb0A1 GLN 412 HG2 -0.04 -0.03 0.02 -0.04 2.40 2.30 3hb0A1 GLN 412 HG3 -0.05 0.10 0.05 -0.04 2.39 2.46 3hb0A1 GLN 412 HE21 -0.01 -0.02 -0.04 -0.04 6.97 6.87 3hb0A1 GLN 412 HE22 -0.02 -0.00 -0.02 -0.04 7.69 7.61 3hb0A1 LEU 413 H -0.10 0.50 -0.17 -0.55 8.37 8.06 3hb0A1 LEU 413 HA -0.05 -0.01 0.47 -0.75 4.35 4.00 3hb0A1 LEU 413 HB2 -0.01 0.15 0.17 -0.04 1.64 1.91 3hb0A1 LEU 413 HB3 -0.07 0.14 0.22 -0.04 1.64 1.88 3hb0A1 LEU 413 HG -0.05 -0.03 -0.11 -0.04 1.64 1.41 3hb0A1 LEU 413 HD13 0.00 -0.01 0.07 -0.04 0.93 0.96 3hb0A1 LEU 413 HD23 0.05 -0.01 -0.14 -0.04 0.89 0.75 3hb0A1 ARG 414 H -0.35 0.68 -0.03 -0.55 8.46 8.20 3hb0A1 ARG 414 HA -0.25 -0.04 0.40 -0.75 4.34 3.69 3hb0A1 ARG 414 HB2 -0.55 0.13 0.15 -0.04 1.90 1.58 3hb0A1 ARG 414 HB3 -0.37 -0.05 0.03 -0.04 1.80 1.37 3hb0A1 ARG 414 HG2 -0.78 0.10 0.13 -0.04 1.67 1.07 3hb0A1 ARG 414 HG3 -1.04 0.01 0.04 -0.04 1.67 0.64 3hb0A1 ARG 414 HD2 -0.42 -0.15 0.04 -0.04 3.22 2.66 3hb0A1 ARG 414 HD3 -0.30 0.28 0.10 -0.04 3.22 3.26 3hb0A1 ALA 415 H -0.19 0.35 -0.57 -0.55 8.40 7.44 3hb0A1 ALA 415 HA -0.12 0.02 0.46 -0.75 4.34 3.96 3hb0A1 ALA 415 HB3 -0.10 0.05 0.12 -0.04 1.41 1.44 3hb0A1 GLU 416 H -0.08 0.54 0.01 -0.55 8.60 8.52 3hb0A1 GLU 416 HA -0.03 0.04 0.52 -0.75 4.29 4.07 3hb0A1 GLU 416 HB2 -0.03 0.10 0.20 -0.04 2.09 2.31 3hb0A1 GLU 416 HB3 -0.01 -0.09 0.06 -0.04 1.99 1.90 3hb0A1 GLU 416 HG2 -0.02 -0.04 0.06 -0.04 2.34 2.30 3hb0A1 GLU 416 HG3 -0.04 0.28 0.12 -0.04 2.34 2.66 3hb0A1 LEU 417 H -0.07 0.72 -0.11 -0.55 8.37 8.36 3hb0A1 LEU 417 HA -0.02 -0.02 0.39 -0.75 4.35 3.94 3hb0A1 LEU 417 HB2 -0.06 0.06 0.06 -0.04 1.64 1.66 3hb0A1 LEU 417 HB3 -0.09 0.12 0.13 -0.04 1.64 1.75 3hb0A1 LEU 417 HG -0.03 -0.10 0.02 -0.04 1.64 1.49 3hb0A1 LEU 417 HD13 0.06 0.02 -0.01 -0.04 0.93 0.96 3hb0A1 LEU 417 HD23 0.06 -0.01 -0.08 -0.04 0.89 0.82 3hb0A1 GLU 418 H -0.06 0.67 -0.12 -0.55 8.60 8.55 3hb0A1 GLU 418 HA 0.01 -0.12 0.42 -0.75 4.29 3.85 3hb0A1 GLU 418 HB2 -0.06 0.21 0.20 -0.04 2.09 2.40 3hb0A1 GLU 418 HB3 -0.03 -0.02 -0.01 -0.04 1.99 1.89 3hb0A1 GLU 418 HG2 -0.05 0.07 0.07 -0.04 2.34 2.38 3hb0A1 GLU 418 HG3 -0.07 0.06 0.02 -0.04 2.34 2.31 3hb0A1 ALA 419 H -0.01 0.42 -0.31 -0.55 8.40 7.95 3hb0A1 ALA 419 HA 0.02 0.04 0.48 -0.75 4.34 4.13 3hb0A1 ALA 419 HB3 0.01 0.04 0.14 -0.04 1.41 1.55 3hb0A1 LEU 420 H 0.03 0.60 0.02 -0.55 8.37 8.47 3hb0A1 LEU 420 HA 0.11 0.07 0.41 -0.75 4.35 4.18 3hb0A1 LEU 420 HB2 0.05 0.01 0.11 -0.04 1.64 1.77 3hb0A1 LEU 420 HB3 0.03 0.06 0.08 -0.04 1.64 1.77 3hb0A1 LEU 420 HG 0.16 -0.00 0.09 -0.04 1.64 1.84 3hb0A1 LEU 420 HD13 0.07 -0.00 -0.07 -0.04 0.93 0.88 3hb0A1 LEU 420 HD23 0.12 -0.01 -0.25 -0.04 0.89 0.71 3hb0A1 THR 421 H 0.05 0.36 -0.47 -0.55 8.28 7.68 3hb0A1 THR 421 HA 0.28 0.17 0.74 -0.75 4.39 4.83 3hb0A1 THR 421 HB -0.15 -0.11 0.13 -0.04 4.32 4.14 3hb0A1 THR 421 HG23 -0.47 0.01 -0.06 -0.04 1.22 0.66 3hb0A1 ASP 422 H 0.15 0.47 -0.38 -0.55 8.40 8.09 3hb0A1 ASP 422 HA 0.09 0.10 0.36 -0.75 4.63 4.43 3hb0A1 ASP 422 HB2 0.12 0.05 -0.09 -0.04 2.71 2.75 3hb0A1 ASP 422 HB3 -0.02 -0.03 0.18 -0.04 2.70 2.78 3hb0A1 LEU 423 H 0.10 0.63 0.01 -0.55 8.37 8.56 3hb0A1 LEU 423 HA 0.01 -0.05 0.31 -0.75 4.35 3.86 3hb0A1 LEU 423 HB2 -0.23 0.14 0.15 -0.04 1.64 1.66 3hb0A1 LEU 423 HB3 -0.17 -0.07 0.13 -0.04 1.64 1.49 3hb0A1 LEU 423 HG 0.01 -0.01 -0.55 -0.04 1.64 1.06 3hb0A1 LEU 423 HD13 -0.05 0.01 -0.05 -0.04 0.93 0.79 3hb0A1 LEU 423 HD23 -0.02 0.05 -0.05 -0.04 0.89 0.83 3hb0A1 TRP 424 H 0.35 0.21 -0.30 -0.55 7.97 7.68 3hb0A1 TRP 424 HA 0.09 0.09 0.36 -0.75 4.62 4.42 3hb0A1 TRP 424 HB2 -0.03 0.24 0.08 -0.04 3.23 3.48 3hb0A1 TRP 424 HB3 -0.06 -0.15 0.08 -0.04 3.23 3.06 3hb0A1 TRP 424 HD1 -0.03 0.11 -0.45 -0.04 7.22 6.80 3hb0A1 TRP 424 HE1 0.03 0.26 -0.62 -0.04 10.20 9.83 3hb0A1 TRP 424 HE3 -0.72 0.13 -0.03 -0.04 7.59 6.92 3hb0A1 TRP 424 HZ2 0.08 0.13 -0.34 -0.04 7.44 7.27 3hb0A1 TRP 424 HZ3 -0.04 -0.05 -0.05 -0.04 7.13 6.96 3hb0A1 TRP 424 HH2 0.11 0.01 -0.52 -0.04 7.19 6.74 3hb0A1 LEU 425 H 0.25 0.07 -0.08 -0.55 8.37 8.06 3hb0A1 LEU 425 HA 0.16 0.19 0.40 -0.75 4.35 4.35 3hb0A1 LEU 425 HB2 0.19 -0.06 0.12 -0.04 1.64 1.85 3hb0A1 LEU 425 HB3 0.08 -0.04 0.02 -0.04 1.64 1.66 3hb0A1 LEU 425 HG 0.03 0.02 -0.17 -0.04 1.64 1.48 3hb0A1 LEU 425 HD13 0.11 0.01 0.04 -0.04 0.93 1.04 3hb0A1 LEU 425 HD23 0.12 0.05 0.00 -0.04 0.89 1.02 3hb0A1 THR 426 H -0.06 0.04 -0.48 -0.55 8.28 7.23 3hb0A1 THR 426 HA -0.09 0.06 0.41 -0.75 4.39 4.02 3hb0A1 THR 426 HB -0.33 0.23 0.14 -0.04 4.32 4.31 3hb0A1 THR 426 HG23 -0.16 0.01 -0.09 -0.04 1.22 0.93 3hb0A1 HIS 427 H -0.25 0.47 -0.14 -0.55 8.41 7.95 3hb0A1 HIS 427 HA -0.09 0.05 0.45 -0.75 4.63 4.28 3hb0A1 HIS 427 HB2 -0.34 0.15 0.24 -0.04 3.26 3.27 3hb0A1 HIS 427 HB3 -0.21 -0.08 -0.02 -0.04 3.20 2.85 3hb0A1 HIS 427 HD2 -0.06 0.00 -0.03 -0.04 6.97 6.84 3hb0A1 HIS 427 HE1 0.03 0.04 0.01 -0.04 7.75 7.79 3hb0A1 SER 428 H -0.12 0.48 0.06 -0.55 8.46 8.34 3hb0A1 SER 428 HA -0.07 0.02 0.45 -0.75 4.49 4.14 3hb0A1 SER 428 HB2 -0.16 -0.08 0.10 -0.04 3.95 3.77 3hb0A1 SER 428 HB3 -0.04 0.05 0.16 -0.04 3.93 4.06 3hb0A1 LEU 429 H -0.09 0.62 -0.20 -0.55 8.37 8.16 3hb0A1 LEU 429 HA -0.19 -0.03 0.38 -0.75 4.35 3.76 3hb0A1 LEU 429 HB2 -0.08 0.16 0.17 -0.04 1.64 1.85 3hb0A1 LEU 429 HB3 -0.09 -0.03 -0.02 -0.04 1.64 1.45 3hb0A1 LEU 429 HG -0.05 0.01 0.06 -0.04 1.64 1.61 3hb0A1 LEU 429 HD13 -0.04 -0.01 -0.04 -0.04 0.93 0.80 3hb0A1 LEU 429 HD23 -0.10 -0.00 -0.00 -0.04 0.89 0.74 3hb0A1 LYS 430 H -0.07 0.41 -0.32 -0.55 8.42 7.89 3hb0A1 LYS 430 HA -0.08 0.01 0.38 -0.75 4.32 3.88 3hb0A1 LYS 430 HB2 -0.02 0.21 0.19 -0.04 1.87 2.21 3hb0A1 LYS 430 HB3 -0.04 -0.04 -0.02 -0.04 1.79 1.66 3hb0A1 LYS 430 HG2 -0.04 -0.03 0.05 -0.04 1.46 1.39 3hb0A1 LYS 430 HG3 -0.05 0.06 0.07 -0.04 1.46 1.50 3hb0A1 LYS 430 HD2 0.06 -0.01 -0.01 -0.04 1.69 1.69 3hb0A1 LYS 430 HD3 0.00 -0.02 -0.00 -0.04 1.68 1.62 3hb0A1 LYS 430 HE2 -0.02 -0.01 -0.01 -0.04 2.99 2.90 3hb0A1 LYS 430 HE3 -0.04 0.00 -0.03 -0.04 2.99 2.88 3hb0A1 ALA 431 H -0.08 0.37 -0.30 -0.55 8.40 7.85 3hb0A1 ALA 431 HA -0.10 0.11 0.63 -0.75 4.34 4.23 3hb0A1 ALA 431 HB3 0.05 0.03 0.07 -0.04 1.41 1.52 3hb0A1 LEU 432 H -0.23 0.52 0.09 -0.55 8.37 8.20 3hb0A1 LEU 432 HA -0.26 0.03 0.40 -0.75 4.35 3.77 3hb0A1 LEU 432 HB2 -0.33 0.05 0.16 -0.04 1.64 1.48 3hb0A1 LEU 432 HB3 -0.48 0.00 -0.00 -0.04 1.64 1.12 3hb0A1 LEU 432 HG -0.97 0.04 0.03 -0.04 1.64 0.70 3hb0A1 LEU 432 HD13 -0.43 -0.04 -0.16 -0.04 0.93 0.26 3hb0A1 LEU 432 HD23 -1.33 -0.01 -0.04 -0.04 0.89 -0.52 3hb0A1 ASN 433 H -0.16 0.70 -0.16 -0.55 8.53 8.37 3hb0A1 ASN 433 HA -0.14 0.07 0.52 -0.75 4.76 4.45 3hb0A1 ASN 433 HB2 -0.10 0.09 0.05 -0.04 2.88 2.88 3hb0A1 ASN 433 HB3 -0.09 -0.03 -0.01 -0.04 2.79 2.62 3hb0A1 ASN 433 HD21 -0.09 -0.07 -0.05 -0.04 7.03 6.78 3hb0A1 ASN 433 HD22 -0.09 0.01 -0.16 -0.04 7.74 7.46 3hb0A1 LEU 434 H -0.13 0.28 -0.33 -0.55 8.37 7.64 3hb0A1 LEU 434 HA -0.09 0.04 0.51 -0.75 4.35 4.05 3hb0A1 LEU 434 HB2 -0.10 0.21 0.22 -0.04 1.64 1.92 3hb0A1 LEU 434 HB3 -0.14 0.03 0.06 -0.04 1.64 1.54 3hb0A1 LEU 434 HG -0.11 0.06 -0.06 -0.04 1.64 1.49 3hb0A1 LEU 434 HD13 -0.07 -0.02 0.02 -0.04 0.93 0.82 3hb0A1 LEU 434 HD23 -0.08 -0.02 -0.07 -0.04 0.89 0.67 3hb0A1 ILE 435 H -0.18 0.46 -0.16 -0.55 8.25 7.82 3hb0A1 ILE 435 HA -0.19 0.01 0.34 -0.75 4.18 3.59 3hb0A1 ILE 435 HB -0.18 0.09 0.12 -0.04 1.89 1.88 3hb0A1 ILE 435 HG12 -1.15 -0.03 -0.03 -0.04 1.49 0.24 3hb0A1 ILE 435 HG13 -0.44 0.11 0.03 -0.04 1.21 0.87 3hb0A1 ILE 435 HG23 -0.04 -0.01 -0.37 -0.04 0.93 0.47 3hb0A1 ILE 435 HD13 -0.43 -0.04 -0.10 -0.04 0.88 0.27 3hb0A1 ASN 436 H -0.14 0.35 -0.20 -0.55 8.53 8.00 3hb0A1 ASN 436 HA -0.07 0.07 0.39 -0.75 4.76 4.40 3hb0A1 ASN 436 HB2 -0.15 0.06 0.18 -0.04 2.88 2.93 3hb0A1 ASN 436 HB3 -0.10 -0.02 0.15 -0.04 2.79 2.77 3hb0A1 ASN 436 HD21 -0.05 -0.02 0.01 -0.04 7.03 6.92 3hb0A1 ASN 436 HD22 -0.09 -0.08 -0.01 -0.04 7.74 7.52 3hb0A1 SER 437 H -0.08 0.46 -0.15 -0.55 8.46 8.15 3hb0A1 SER 437 HA -0.04 -0.01 0.41 -0.75 4.49 4.10 3hb0A1 SER 437 HB2 -0.04 -0.11 0.09 -0.04 3.95 3.85 3hb0A1 SER 437 HB3 -0.05 -0.04 0.13 -0.04 3.93 3.92 3hb0A1 ARG 438 H -0.06 0.37 -0.41 -0.55 8.46 7.81 3hb0A1 ARG 438 HA -0.05 -0.01 0.59 -0.75 4.34 4.12 3hb0A1 ARG 438 HB2 -0.05 0.15 0.20 -0.04 1.90 2.16 3hb0A1 ARG 438 HB3 -0.04 -0.21 0.05 -0.04 1.80 1.56 3hb0A1 ARG 438 HG2 -0.08 -0.09 0.09 -0.04 1.67 1.55 3hb0A1 ARG 438 HG3 -0.09 0.08 0.07 -0.04 1.67 1.69 3hb0A1 ARG 438 HD2 -0.14 0.13 0.09 -0.04 3.22 3.27 3hb0A1 ARG 438 HD3 -0.09 -0.05 -0.01 -0.04 3.22 3.02 3hb0A1 PRO 439 HA -0.02 0.16 0.52 -0.51 4.44 4.59 3hb0A1 PRO 439 HB2 -0.07 -0.00 0.04 -0.04 2.28 2.20 3hb0A1 PRO 439 HB3 -0.04 0.02 0.17 -0.04 2.02 2.13 3hb0A1 PRO 439 HG2 -0.08 -0.09 0.16 -0.04 2.03 1.97 3hb0A1 PRO 439 HG3 -0.06 -0.00 0.13 -0.04 2.03 2.06 3hb0A1 PRO 439 HD2 -0.04 0.02 0.31 -0.04 3.68 3.93 3hb0A1 PRO 439 HD3 -0.03 0.23 0.32 -0.04 3.65 4.13 3hb0A1 ASN 440 H -0.04 0.04 -0.09 -0.55 8.53 7.89 3hb0A1 ASN 440 HA -0.01 0.27 0.98 -0.75 4.76 5.25 3hb0A1 ASN 440 HB2 -0.03 -0.09 0.15 -0.04 2.88 2.87 3hb0A1 ASN 440 HB3 -0.01 0.14 0.30 -0.04 2.79 3.17 3hb0A1 ASN 440 HD21 -0.60 0.02 0.01 -0.04 7.03 6.42 3hb0A1 ASN 440 HD22 -0.14 -0.20 0.08 -0.04 7.74 7.44 3hb0A1 CYS 441 H 0.01 0.48 -0.31 -0.55 8.50 8.12 3hb0A1 CYS 441 HA 0.06 0.17 1.05 -0.75 4.58 5.10 3hb0A1 CYS 441 HB2 0.05 0.30 0.12 -0.04 2.97 3.39 3hb0A1 CYS 441 HB3 0.32 -0.08 0.04 -0.04 2.97 3.21 3hb0A1 VAL 442 H 0.10 0.35 0.33 -0.55 8.24 8.47 3hb0A1 VAL 442 HA 0.04 0.24 0.89 -0.75 4.13 4.55 3hb0A1 VAL 442 HB -0.17 0.01 0.05 -0.04 2.12 1.97 3hb0A1 VAL 442 HG13 -0.04 -0.05 -0.17 -0.04 0.97 0.67 3hb0A1 VAL 442 HG23 0.04 0.01 -0.16 -0.04 0.95 0.80 3hb0A1 ASN 443 H 0.07 0.23 0.18 -0.55 8.53 8.47 3hb0A1 ASN 443 HA 0.33 0.14 1.04 -0.75 4.76 5.51 3hb0A1 ASN 443 HB2 -0.12 0.12 0.24 -0.04 2.88 3.07 3hb0A1 ASN 443 HB3 -0.25 -0.07 -0.04 -0.04 2.79 2.40 3hb0A1 ASN 443 HD21 -0.27 0.18 0.15 -0.04 7.03 7.05 3hb0A1 ASN 443 HD22 -0.29 0.17 0.09 -0.04 7.74 7.67 3hb0A1 VAL 444 H 0.47 0.72 0.45 -0.55 8.24 9.32 3hb0A1 VAL 444 HA 0.40 0.24 1.01 -0.75 4.13 5.02 3hb0A1 VAL 444 HB 0.19 -0.01 0.01 -0.04 2.12 2.26 3hb0A1 VAL 444 HG13 0.31 0.00 -0.08 -0.04 0.97 1.16 3hb0A1 VAL 444 HG23 0.12 -0.00 -0.21 -0.04 0.95 0.81 3hb0A1 LEU 445 H 0.27 0.80 0.35 -0.55 8.37 9.25 3hb0A1 LEU 445 HA 0.18 0.22 1.03 -0.75 4.35 5.03 3hb0A1 LEU 445 HB2 -1.07 0.05 -0.20 -0.04 1.64 0.37 3hb0A1 LEU 445 HB3 -0.27 -0.02 0.08 -0.04 1.64 1.39 3hb0A1 LEU 445 HG -0.09 -0.06 -0.39 -0.04 1.64 1.05 3hb0A1 LEU 445 HD13 -0.23 -0.00 -0.31 -0.04 0.93 0.34 3hb0A1 LEU 445 HD23 -0.41 -0.03 -0.17 -0.04 0.89 0.24 3hb0A1 VAL 446 H 0.21 0.89 0.27 -0.55 8.24 9.05 3hb0A1 VAL 446 HA 0.20 0.33 1.03 -0.75 4.13 4.94 3hb0A1 VAL 446 HB 0.36 0.05 0.05 -0.04 2.12 2.53 3hb0A1 VAL 446 HG13 0.09 -0.05 -0.21 -0.04 0.97 0.77 3hb0A1 VAL 446 HG23 0.28 0.02 -0.28 -0.04 0.95 0.92 3hb0A1 THR 447 H 0.10 0.70 0.34 -0.55 8.28 8.87 3hb0A1 THR 447 HA 0.10 0.11 1.09 -0.75 4.39 4.95 3hb0A1 THR 447 HB 0.04 0.05 -0.10 -0.04 4.32 4.26 3hb0A1 THR 447 HG23 0.02 0.11 -0.06 -0.04 1.22 1.25 3hb0A1 THR 448 H 0.09 0.11 0.19 -0.55 8.28 8.12 3hb0A1 THR 448 HA 0.06 0.05 0.31 -0.75 4.39 4.06 3hb0A1 THR 448 HB 0.06 0.09 0.05 -0.04 4.32 4.47 3hb0A1 THR 448 HG23 0.04 0.02 -0.03 -0.04 1.22 1.22 3hb0A1 THR 449 H 0.09 -0.11 -0.30 -0.55 8.28 7.42 3hb0A1 THR 449 HA 0.13 0.05 0.39 -0.75 4.39 4.21 3hb0A1 THR 449 HB 0.03 0.03 -0.06 -0.04 4.32 4.28 3hb0A1 THR 449 HG23 0.02 0.08 -0.14 -0.04 1.22 1.14 3hb0A1 GLN 450 H 0.12 0.07 0.15 -0.55 8.47 8.26 3hb0A1 GLN 450 HA 0.10 0.10 0.42 -0.75 4.36 4.23 3hb0A1 GLN 450 HB2 0.16 -0.06 0.06 -0.04 2.15 2.27 3hb0A1 GLN 450 HB3 0.20 0.03 0.10 -0.04 2.02 2.31 3hb0A1 GLN 450 HG2 0.15 0.07 0.07 -0.04 2.40 2.66 3hb0A1 GLN 450 HG3 0.17 -0.05 0.13 -0.04 2.39 2.60 3hb0A1 GLN 450 HE21 0.39 0.04 0.01 -0.04 6.97 7.37 3hb0A1 GLN 450 HE22 0.29 -0.07 0.04 -0.04 7.69 7.91 3hb0A1 LEU 451 H 0.10 0.24 0.13 -0.55 8.37 8.30 3hb0A1 LEU 451 HA 0.01 0.09 0.23 -0.75 4.35 3.92 3hb0A1 LEU 451 HB2 0.06 0.25 0.07 -0.04 1.64 1.98 3hb0A1 LEU 451 HB3 0.14 -0.08 0.04 -0.04 1.64 1.70 3hb0A1 LEU 451 HG 0.03 -0.03 -0.33 -0.04 1.64 1.27 3hb0A1 LEU 451 HD13 -0.08 0.04 -0.10 -0.04 0.93 0.74 3hb0A1 LEU 451 HD23 0.04 -0.02 -0.44 -0.04 0.89 0.43 3hb0A1 ILE 452 H 0.11 0.11 -0.10 -0.55 8.25 7.82 3hb0A1 ILE 452 HA -0.02 0.11 0.36 -0.75 4.18 3.88 3hb0A1 ILE 452 HB 0.05 -0.03 0.03 -0.04 1.89 1.90 3hb0A1 ILE 452 HG12 0.19 -0.08 -0.02 -0.04 1.49 1.54 3hb0A1 ILE 452 HG13 0.18 0.09 -0.07 -0.04 1.21 1.37 3hb0A1 ILE 452 HG23 -0.06 0.01 -0.14 -0.04 0.93 0.70 3hb0A1 ILE 452 HD13 0.02 0.02 -0.06 -0.04 0.88 0.82 3hb0A1 PRO 453 HA -0.53 0.07 0.39 -0.51 4.44 3.86 3hb0A1 PRO 453 HB2 -0.19 0.02 -0.03 -0.04 2.28 2.04 3hb0A1 PRO 453 HB3 -0.71 0.02 0.01 -0.04 2.02 1.29 3hb0A1 PRO 453 HG2 -0.17 0.03 0.01 -0.04 2.03 1.86 3hb0A1 PRO 453 HG3 -1.17 0.06 -0.02 -0.04 2.03 0.86 3hb0A1 PRO 453 HD2 -0.07 0.05 -0.28 -0.04 3.68 3.34 3hb0A1 PRO 453 HD3 -0.40 0.09 0.01 -0.04 3.65 3.31 3hb0A1 ALA 454 H -0.10 0.60 -0.46 -0.55 8.40 7.89 3hb0A1 ALA 454 HA -0.11 -0.11 0.30 -0.75 4.34 3.67 3hb0A1 ALA 454 HB3 -0.05 0.06 -0.10 -0.04 1.41 1.28 3hb0A1 LEU 455 H -0.08 0.56 -0.12 -0.55 8.37 8.17 3hb0A1 LEU 455 HA 0.03 0.03 0.34 -0.75 4.35 4.00 3hb0A1 LEU 455 HB2 -0.03 0.09 0.09 -0.04 1.64 1.74 3hb0A1 LEU 455 HB3 0.08 -0.01 0.01 -0.04 1.64 1.68 3hb0A1 LEU 455 HG -0.07 0.28 0.04 -0.04 1.64 1.84 3hb0A1 LEU 455 HD13 -0.08 -0.02 -0.07 -0.04 0.93 0.71 3hb0A1 LEU 455 HD23 -0.25 -0.01 -0.06 -0.04 0.89 0.53 3hb0A1 ALA 456 H -0.15 0.42 -0.30 -0.55 8.40 7.83 3hb0A1 ALA 456 HA -0.12 0.05 0.38 -0.75 4.34 3.89 3hb0A1 ALA 456 HB3 -0.26 0.02 0.10 -0.04 1.41 1.23 3hb0A1 LYS 457 H -0.18 0.66 -0.07 -0.55 8.42 8.28 3hb0A1 LYS 457 HA -0.07 -0.00 0.36 -0.75 4.32 3.85 3hb0A1 LYS 457 HB2 -0.14 0.16 0.15 -0.04 1.87 1.99 3hb0A1 LYS 457 HB3 -0.19 -0.08 -0.12 -0.04 1.79 1.37 3hb0A1 LYS 457 HG2 -0.40 -0.04 -0.04 -0.04 1.46 0.95 3hb0A1 LYS 457 HG3 -0.29 0.13 -0.03 -0.04 1.46 1.23 3hb0A1 LYS 457 HD2 -0.14 0.01 -0.08 -0.04 1.69 1.44 3hb0A1 LYS 457 HD3 -0.25 -0.08 -0.09 -0.04 1.68 1.21 3hb0A1 LYS 457 HE2 -0.30 -0.01 -0.07 -0.04 2.99 2.57 3hb0A1 LYS 457 HE3 -0.10 0.05 -0.10 -0.04 2.99 2.80 3hb0A1 VAL 458 H -0.04 0.75 -0.12 -0.55 8.24 8.28 3hb0A1 VAL 458 HA 0.04 -0.03 0.25 -0.75 4.13 3.64 3hb0A1 VAL 458 HB 0.12 0.13 0.06 -0.04 2.12 2.38 3hb0A1 VAL 458 HG13 0.18 -0.01 -0.31 -0.04 0.97 0.79 3hb0A1 VAL 458 HG23 -0.07 0.05 -0.08 -0.04 0.95 0.80 3hb0A1 LEU 459 H -0.00 0.56 -0.32 -0.55 8.37 8.06 3hb0A1 LEU 459 HA -0.08 -0.04 0.50 -0.75 4.35 3.98 3hb0A1 LEU 459 HB2 -0.12 0.09 0.18 -0.04 1.64 1.76 3hb0A1 LEU 459 HB3 -0.20 -0.05 -0.01 -0.04 1.64 1.34 3hb0A1 LEU 459 HG -0.00 0.11 0.05 -0.04 1.64 1.76 3hb0A1 LEU 459 HD13 -0.03 -0.03 -0.13 -0.04 0.93 0.70 3hb0A1 LEU 459 HD23 -0.39 -0.01 -0.01 -0.04 0.89 0.44 3hb0A1 LEU 460 H -0.05 0.66 -0.01 -0.55 8.37 8.43 3hb0A1 LEU 460 HA -0.11 0.03 0.40 -0.75 4.35 3.92 3hb0A1 LEU 460 HB2 -0.02 0.03 0.09 -0.04 1.64 1.71 3hb0A1 LEU 460 HB3 0.04 -0.07 0.05 -0.04 1.64 1.61 3hb0A1 LEU 460 HG -0.23 0.10 0.07 -0.04 1.64 1.54 3hb0A1 LEU 460 HD13 -0.17 -0.01 -0.20 -0.04 0.93 0.51 3hb0A1 LEU 460 HD23 -0.65 -0.01 -0.03 -0.04 0.89 0.16 3hb0A1 TYR 461 H 0.22 0.46 -0.39 -0.55 8.29 8.04 3hb0A1 TYR 461 HA 0.08 0.13 0.77 -0.75 4.56 4.79 3hb0A1 TYR 461 HB2 -0.01 0.13 0.00 -0.04 3.06 3.14 3hb0A1 TYR 461 HB3 0.01 -0.03 0.08 -0.04 2.98 3.00 3hb0A1 TYR 461 HD2 -0.05 0.12 -0.01 -0.04 7.15 7.17 3hb0A1 TYR 461 HE2 -0.18 -0.03 -0.03 -0.04 6.85 6.56 3hb0A1 GLY 462 H 0.18 0.40 -0.47 -0.55 8.43 7.99 3hb0A1 GLY 462 HA2 0.10 0.07 0.36 -0.51 4.01 4.03 3hb0A1 GLY 462 HA3 0.08 0.04 0.39 -0.51 4.01 4.01 3hb0A1 LEU 463 H 0.09 0.69 0.00 -0.55 8.37 8.61 3hb0A1 LEU 463 HA 0.02 0.18 0.73 -0.75 4.35 4.53 3hb0A1 LEU 463 HB2 0.14 -0.01 0.02 -0.04 1.64 1.75 3hb0A1 LEU 463 HB3 0.30 -0.03 0.03 -0.04 1.64 1.90 3hb0A1 LEU 463 HG 0.11 0.09 -0.31 -0.04 1.64 1.49 3hb0A1 LEU 463 HD13 0.04 -0.04 -0.13 -0.04 0.93 0.76 3hb0A1 LEU 463 HD23 0.00 0.02 -0.12 -0.04 0.89 0.76 3hb0A1 GLY 464 H -0.02 0.16 -0.11 -0.55 8.43 7.92 3hb0A1 GLY 464 HA2 -0.12 0.04 0.27 -0.51 4.01 3.70 3hb0A1 GLY 464 HA3 -0.25 0.07 0.32 -0.51 4.01 3.64 3hb0A1 SER 465 H -0.05 0.14 -0.29 -0.55 8.46 7.71 3hb0A1 SER 465 HA -0.03 0.10 0.35 -0.75 4.49 4.16 3hb0A1 SER 465 HB2 -0.04 0.04 0.00 -0.04 3.95 3.90 3hb0A1 SER 465 HB3 -0.05 -0.04 -0.06 -0.04 3.93 3.74 3hb0A1 VAL 466 H -0.05 0.21 -0.44 -0.55 8.24 7.41 3hb0A1 VAL 466 HA -0.15 0.22 0.78 -0.75 4.13 4.23 3hb0A1 VAL 466 HB -0.19 -0.05 -0.04 -0.04 2.12 1.79 3hb0A1 VAL 466 HG13 -0.45 0.02 -0.08 -0.04 0.97 0.42 3hb0A1 VAL 466 HG23 -0.40 -0.03 -0.07 -0.04 0.95 0.41 3hb0A1 PHE 467 H 0.11 0.36 -0.16 -0.55 8.34 8.09 3hb0A1 PHE 467 HA 0.04 0.30 0.94 -0.75 4.62 5.15 3hb0A1 PHE 467 HB2 0.08 -0.01 -0.01 -0.04 3.15 3.17 3hb0A1 PHE 467 HB3 0.07 -0.03 -0.21 -0.04 3.06 2.85 3hb0A1 PHE 467 HD2 0.01 0.08 -0.19 -0.04 7.28 7.15 3hb0A1 PHE 467 HE2 -0.07 -0.01 -0.30 -0.04 7.38 6.96 3hb0A1 PHE 467 HZ -0.56 -0.03 -0.12 -0.04 7.32 6.57 3hb0A1 PRO 468 HA 0.17 0.08 0.48 -0.51 4.44 4.67 3hb0A1 PRO 468 HB2 0.11 -0.12 0.03 -0.04 2.28 2.25 3hb0A1 PRO 468 HB3 0.10 0.11 0.08 -0.04 2.02 2.27 3hb0A1 PRO 468 HG2 0.18 -0.06 0.12 -0.04 2.03 2.23 3hb0A1 PRO 468 HG3 0.13 0.11 0.09 -0.04 2.03 2.32 3hb0A1 PRO 468 HD2 0.16 0.20 0.27 -0.04 3.68 4.26 3hb0A1 PRO 468 HD3 0.06 0.24 0.01 -0.04 3.65 3.92 3hb0A1 ILE 469 H 0.10 0.19 0.18 -0.55 8.25 8.17 3hb0A1 ILE 469 HA -0.33 0.09 0.29 -0.75 4.18 3.47 3hb0A1 ILE 469 HB -0.69 0.08 0.14 -0.04 1.89 1.38 3hb0A1 ILE 469 HG12 -0.39 -0.08 0.02 -0.04 1.49 0.99 3hb0A1 ILE 469 HG13 -0.81 0.01 0.08 -0.04 1.21 0.45 3hb0A1 ILE 469 HG23 -0.11 -0.00 -0.06 -0.04 0.93 0.72 3hb0A1 ILE 469 HD13 -0.40 -0.01 -0.01 -0.04 0.88 0.42 3hb0A1 GLU 470 H -0.00 0.10 -0.41 -0.55 8.60 7.74 3hb0A1 GLU 470 HA -0.19 -0.02 0.44 -0.75 4.29 3.76 3hb0A1 GLU 470 HB2 0.10 0.09 -0.04 -0.04 2.09 2.20 3hb0A1 GLU 470 HB3 0.16 0.02 0.10 -0.04 1.99 2.23 3hb0A1 GLU 470 HG2 0.07 0.05 -0.00 -0.04 2.34 2.42 3hb0A1 GLU 470 HG3 0.04 -0.07 -0.02 -0.04 2.34 2.24 3hb0A1 ASN 471 H 0.05 0.70 -0.44 -0.55 8.53 8.29 3hb0A1 ASN 471 HA 0.36 0.17 0.82 -0.75 4.76 5.35 3hb0A1 ASN 471 HB2 0.28 0.13 0.12 -0.04 2.88 3.37 3hb0A1 ASN 471 HB3 0.36 -0.05 0.36 -0.04 2.79 3.41 3hb0A1 ASN 471 HD21 0.28 -0.05 -0.00 -0.04 7.03 7.21 3hb0A1 ASN 471 HD22 0.25 0.47 0.13 -0.04 7.74 8.56 3hb0A1 ILE 472 H -0.21 0.34 -0.17 -0.55 8.25 7.66 3hb0A1 ILE 472 HA 0.03 0.15 0.96 -0.75 4.18 4.57 3hb0A1 ILE 472 HB -0.24 0.04 0.13 -0.04 1.89 1.78 3hb0A1 ILE 472 HG12 -0.19 -0.00 -0.18 -0.04 1.49 1.07 3hb0A1 ILE 472 HG13 -0.07 0.09 -0.23 -0.04 1.21 0.96 3hb0A1 ILE 472 HG23 -0.11 -0.04 -0.23 -0.04 0.93 0.50 3hb0A1 ILE 472 HD13 -0.11 -0.02 -0.14 -0.04 0.88 0.57 3hb0A1 TYR 473 H 0.25 0.85 0.40 -0.55 8.29 9.24 3hb0A1 TYR 473 HA 0.06 0.31 1.08 -0.75 4.56 5.25 3hb0A1 TYR 473 HB2 0.12 -0.02 0.08 -0.04 3.06 3.20 3hb0A1 TYR 473 HB3 0.10 -0.07 -0.07 -0.04 2.98 2.89 3hb0A1 TYR 473 HD2 0.14 0.03 -0.21 -0.04 7.15 7.07 3hb0A1 TYR 473 HE2 0.18 0.01 -0.13 -0.04 6.85 6.86 3hb0A1 SER 474 H 0.11 0.59 0.33 -0.55 8.46 8.94 3hb0A1 SER 474 HA 0.08 0.24 0.95 -0.75 4.49 5.01 3hb0A1 SER 474 HB2 0.05 -0.02 0.02 -0.04 3.95 3.96 3hb0A1 SER 474 HB3 0.07 0.13 0.32 -0.04 3.93 4.41 3hb0A1 ALA 475 H 0.07 0.62 0.11 -0.55 8.40 8.66 3hb0A1 ALA 475 HA 0.04 0.19 0.69 -0.75 4.34 4.51 3hb0A1 ALA 475 HB3 -0.01 -0.05 -0.31 -0.04 1.41 1.00 3hb0A1 THR 476 H 0.06 0.18 -0.34 -0.55 8.28 7.64 3hb0A1 THR 476 HA 0.05 0.05 0.33 -0.75 4.39 4.06 3hb0A1 THR 476 HB 0.08 -0.01 0.01 -0.04 4.32 4.36 3hb0A1 THR 476 HG23 0.08 0.00 -0.02 -0.04 1.22 1.24 3hb0A1 LYS 477 H 0.05 0.02 -0.24 -0.55 8.42 7.70 3hb0A1 LYS 477 HA 0.03 0.31 1.16 -0.75 4.32 5.06 3hb0A1 LYS 477 HB2 0.05 0.04 0.05 -0.04 1.87 1.96 3hb0A1 LYS 477 HB3 0.04 0.05 -0.01 -0.04 1.79 1.82 3hb0A1 LYS 477 HG2 0.04 0.09 -0.19 -0.04 1.46 1.36 3hb0A1 LYS 477 HG3 0.06 -0.10 -0.19 -0.04 1.46 1.19 3hb0A1 LYS 477 HD2 0.06 0.06 -0.04 -0.04 1.69 1.73 3hb0A1 LYS 477 HD3 0.04 0.02 -0.03 -0.04 1.68 1.67 3hb0A1 LYS 477 HE2 0.05 -0.00 -0.04 -0.04 2.99 2.95 3hb0A1 LYS 477 HE3 0.06 -0.05 -0.05 -0.04 2.99 2.91 3hb0A1 THR 478 H 0.03 0.05 0.03 -0.55 8.28 7.85 3hb0A1 THR 478 HA 0.01 0.17 0.58 -0.75 4.39 4.40 3hb0A1 THR 478 HB 0.01 -0.01 0.08 -0.04 4.32 4.36 3hb0A1 THR 478 HG23 0.03 0.01 0.03 -0.04 1.22 1.26 3hb0A1 GLY 479 H -0.00 0.13 -0.30 -0.55 8.43 7.71 3hb0A1 GLY 479 HA2 -0.04 0.10 0.28 -0.51 4.01 3.85 3hb0A1 GLY 479 HA3 -0.05 0.17 0.64 -0.51 4.01 4.27 3hb0A1 LYS 480 H -0.15 0.16 0.07 -0.55 8.42 7.95 3hb0A1 LYS 480 HA -0.34 0.10 0.33 -0.75 4.32 3.66 3hb0A1 LYS 480 HB2 -0.33 -0.00 -0.06 -0.04 1.87 1.43 3hb0A1 LYS 480 HB3 -0.98 0.12 -0.11 -0.04 1.79 0.78 3hb0A1 LYS 480 HG2 -0.11 0.03 -0.16 -0.04 1.46 1.18 3hb0A1 LYS 480 HG3 -0.09 -0.02 -0.07 -0.04 1.46 1.24 3hb0A1 LYS 480 HD2 0.00 -0.15 -0.14 -0.04 1.69 1.36 3hb0A1 LYS 480 HD3 0.05 0.14 -0.10 -0.04 1.68 1.73 3hb0A1 LYS 480 HE2 0.10 0.14 -0.20 -0.04 2.99 2.99 3hb0A1 LYS 480 HE3 0.05 -0.06 -0.09 -0.04 2.99 2.85 3hb0A1 GLU 481 H -0.23 0.08 -0.16 -0.55 8.60 7.75 3hb0A1 GLU 481 HA -0.30 0.14 0.35 -0.75 4.29 3.72 3hb0A1 GLU 481 HB2 -0.03 -0.01 0.07 -0.04 2.09 2.07 3hb0A1 GLU 481 HB3 -0.04 -0.02 0.06 -0.04 1.99 1.95 3hb0A1 GLU 481 HG2 0.13 0.03 -0.26 -0.04 2.34 2.19 3hb0A1 GLU 481 HG3 0.41 0.07 -0.03 -0.04 2.34 2.75 3hb0A1 SER 482 H -0.09 0.15 -0.33 -0.55 8.46 7.64 3hb0A1 SER 482 HA 0.00 0.08 0.34 -0.75 4.49 4.16 3hb0A1 SER 482 HB2 -0.03 0.10 -0.09 -0.04 3.95 3.89 3hb0A1 SER 482 HB3 0.00 -0.02 -0.08 -0.04 3.93 3.79 3hb0A1 CYS 483 H -0.12 0.35 -0.26 -0.55 8.50 7.93 3hb0A1 CYS 483 HA -0.02 0.02 0.28 -0.75 4.58 4.10 3hb0A1 CYS 483 HB2 -0.16 0.05 0.02 -0.04 2.97 2.84 3hb0A1 CYS 483 HB3 -0.04 0.02 -0.12 -0.04 2.97 2.79 3hb0A1 PHE 484 H -0.19 0.59 -0.28 -0.55 8.34 7.90 3hb0A1 PHE 484 HA -0.15 0.02 0.34 -0.75 4.62 4.07 3hb0A1 PHE 484 HB2 -0.42 0.10 0.09 -0.04 3.15 2.88 3hb0A1 PHE 484 HB3 -0.33 0.03 -0.09 -0.04 3.06 2.63 3hb0A1 PHE 484 HD2 -0.11 0.01 -0.30 -0.04 7.28 6.84 3hb0A1 PHE 484 HE2 0.03 0.07 -0.10 -0.04 7.38 7.33 3hb0A1 PHE 484 HZ 0.08 -0.10 -0.09 -0.04 7.32 7.17 3hb0A1 GLU 485 H -0.09 0.54 -0.13 -0.55 8.60 8.37 3hb0A1 GLU 485 HA 0.04 0.05 0.36 -0.75 4.29 3.99 3hb0A1 GLU 485 HB2 0.27 0.01 0.09 -0.04 2.09 2.43 3hb0A1 GLU 485 HB3 0.05 0.12 0.17 -0.04 1.99 2.30 3hb0A1 GLU 485 HG2 0.06 -0.02 -0.24 -0.04 2.34 2.10 3hb0A1 GLU 485 HG3 0.11 -0.00 0.01 -0.04 2.34 2.41 3hb0A1 ARG 486 H -0.00 0.58 -0.17 -0.55 8.46 8.31 3hb0A1 ARG 486 HA 0.02 0.01 0.41 -0.75 4.34 4.02 3hb0A1 ARG 486 HB2 0.03 -0.02 0.04 -0.04 1.90 1.90 3hb0A1 ARG 486 HB3 -0.02 0.11 0.09 -0.04 1.80 1.94 3hb0A1 ARG 486 HG2 0.10 0.04 -0.22 -0.04 1.67 1.55 3hb0A1 ARG 486 HG3 0.05 -0.02 0.01 -0.04 1.67 1.67 3hb0A1 ARG 486 HD2 0.08 -0.02 -0.04 -0.04 3.22 3.19 3hb0A1 ARG 486 HD3 0.17 -0.03 -0.07 -0.04 3.22 3.24 3hb0A1 ILE 487 H -0.04 0.52 -0.24 -0.55 8.25 7.94 3hb0A1 ILE 487 HA 0.10 0.02 0.42 -0.75 4.18 3.96 3hb0A1 ILE 487 HB 0.02 0.10 0.10 -0.04 1.89 2.07 3hb0A1 ILE 487 HG12 -0.45 -0.03 -0.06 -0.04 1.49 0.91 3hb0A1 ILE 487 HG13 -0.47 0.19 0.00 -0.04 1.21 0.89 3hb0A1 ILE 487 HG23 0.36 -0.01 -0.17 -0.04 0.93 1.07 3hb0A1 ILE 487 HD13 -0.16 -0.04 -0.19 -0.04 0.88 0.45 3hb0A1 MET 488 H -0.03 0.49 -0.24 -0.55 8.47 8.15 3hb0A1 MET 488 HA 0.04 0.09 0.46 -0.75 4.52 4.35 3hb0A1 MET 488 HB2 -0.10 0.08 0.12 -0.04 2.15 2.21 3hb0A1 MET 488 HB3 -0.16 -0.03 -0.05 -0.04 2.03 1.76 3hb0A1 MET 488 HG2 -1.62 0.03 -0.03 -0.04 2.63 0.96 3hb0A1 MET 488 HG3 -0.55 0.03 -0.04 -0.04 2.56 1.95 3hb0A1 MET 488 HE3 -0.25 0.02 0.00 -0.04 2.10 1.84 3hb0A1 GLN 489 H 0.03 0.43 -0.18 -0.55 8.47 8.21 3hb0A1 GLN 489 HA 0.03 -0.01 0.36 -0.75 4.36 3.98 3hb0A1 GLN 489 HB2 0.02 0.13 0.11 -0.04 2.15 2.36 3hb0A1 GLN 489 HB3 0.01 -0.07 0.03 -0.04 2.02 1.95 3hb0A1 GLN 489 HG2 0.02 0.40 0.11 -0.04 2.40 2.89 3hb0A1 GLN 489 HG3 0.02 -0.11 -0.03 -0.04 2.39 2.22 3hb0A1 GLN 489 HE21 0.02 -0.04 -0.03 -0.04 6.97 6.88 3hb0A1 GLN 489 HE22 0.03 -0.03 -0.07 -0.04 7.69 7.57 3hb0A1 ARG 490 H 0.04 0.35 -0.37 -0.55 8.46 7.93 3hb0A1 ARG 490 HA -0.09 0.02 0.42 -0.75 4.34 3.93 3hb0A1 ARG 490 HB2 -0.04 0.06 0.10 -0.04 1.90 1.98 3hb0A1 ARG 490 HB3 -0.30 0.09 0.05 -0.04 1.80 1.60 3hb0A1 ARG 490 HG2 -0.22 -0.02 0.06 -0.04 1.67 1.45 3hb0A1 ARG 490 HG3 -0.12 -0.08 -0.01 -0.04 1.67 1.42 3hb0A1 ARG 490 HD2 -1.51 0.08 -0.21 -0.04 3.22 1.53 3hb0A1 ARG 490 HD3 -0.41 -0.05 -0.06 -0.04 3.22 2.66 3hb0A1 PHE 491 H 0.27 0.40 -0.13 -0.55 8.34 8.34 3hb0A1 PHE 491 HA 0.08 0.17 0.89 -0.75 4.62 5.01 3hb0A1 PHE 491 HB2 0.23 0.08 0.03 -0.04 3.15 3.44 3hb0A1 PHE 491 HB3 0.02 -0.05 0.04 -0.04 3.06 3.03 3hb0A1 PHE 491 HD2 0.11 0.16 -0.01 -0.04 7.28 7.49 3hb0A1 PHE 491 HE2 0.13 -0.04 -0.07 -0.04 7.38 7.36 3hb0A1 PHE 491 HZ 0.16 -0.02 -0.09 -0.04 7.32 7.32 3hb0A1 GLY 492 H 0.18 0.42 -0.21 -0.55 8.43 8.27 3hb0A1 GLY 492 HA2 0.10 -0.01 0.34 -0.51 4.01 3.93 3hb0A1 GLY 492 HA3 0.12 0.09 0.70 -0.51 4.01 4.42 3hb0A1 ARG 493 H 0.08 0.09 0.17 -0.55 8.46 8.26 3hb0A1 ARG 493 HA 0.13 0.23 0.67 -0.75 4.34 4.62 3hb0A1 ARG 493 HB2 0.05 0.02 0.02 -0.04 1.90 1.95 3hb0A1 ARG 493 HB3 0.05 0.03 0.10 -0.04 1.80 1.94 3hb0A1 ARG 493 HG2 0.05 -0.02 0.08 -0.04 1.67 1.75 3hb0A1 ARG 493 HG3 0.05 -0.02 0.10 -0.04 1.67 1.76 3hb0A1 ARG 493 HD2 0.03 0.02 0.01 -0.04 3.22 3.23 3hb0A1 ARG 493 HD3 0.03 -0.01 0.02 -0.04 3.22 3.21 3hb0A1 LYS 494 H 0.09 0.03 -0.09 -0.55 8.42 7.89 3hb0A1 LYS 494 HA 0.05 0.13 0.58 -0.75 4.32 4.33 3hb0A1 LYS 494 HB2 0.05 -0.09 0.08 -0.04 1.87 1.86 3hb0A1 LYS 494 HB3 0.05 0.06 0.01 -0.04 1.79 1.87 3hb0A1 LYS 494 HG2 0.03 0.03 0.10 -0.04 1.46 1.58 3hb0A1 LYS 494 HG3 0.03 -0.02 0.07 -0.04 1.46 1.51 3hb0A1 LYS 494 HD2 0.03 -0.05 0.01 -0.04 1.69 1.63 3hb0A1 LYS 494 HD3 0.03 0.04 0.00 -0.04 1.68 1.71 3hb0A1 LYS 494 HE2 0.02 0.05 -0.02 -0.04 2.99 2.99 3hb0A1 LYS 494 HE3 0.02 -0.03 0.00 -0.04 2.99 2.94 3hb0A1 ALA 495 H 0.12 0.12 -0.48 -0.55 8.40 7.61 3hb0A1 ALA 495 HA -0.06 0.15 0.75 -0.75 4.34 4.43 3hb0A1 ALA 495 HB3 -0.17 0.02 -0.13 -0.04 1.41 1.09 3hb0A1 VAL 496 H -0.18 0.65 0.37 -0.55 8.24 8.53 3hb0A1 VAL 496 HA 0.02 0.18 0.95 -0.75 4.13 4.51 3hb0A1 VAL 496 HB -0.06 0.01 0.05 -0.04 2.12 2.08 3hb0A1 VAL 496 HG13 -0.03 0.02 -0.02 -0.04 0.97 0.90 3hb0A1 VAL 496 HG23 -0.18 0.01 -0.00 -0.04 0.95 0.74 3hb0A1 TYR 497 H 0.21 0.22 0.19 -0.55 8.29 8.36 3hb0A1 TYR 497 HA -0.24 0.25 0.89 -0.75 4.56 4.71 3hb0A1 TYR 497 HB2 -0.10 0.00 0.08 -0.04 3.06 3.00 3hb0A1 TYR 497 HB3 -0.18 -0.05 -0.04 -0.04 2.98 2.67 3hb0A1 TYR 497 HD2 -0.09 -0.00 -0.06 -0.04 7.15 6.96 3hb0A1 TYR 497 HE2 0.05 0.10 -0.15 -0.04 6.85 6.81 3hb0A1 VAL 498 H -0.24 0.56 0.31 -0.55 8.24 8.31 3hb0A1 VAL 498 HA -0.06 0.29 0.78 -0.75 4.13 4.39 3hb0A1 VAL 498 HB -0.29 -0.10 0.06 -0.04 2.12 1.75 3hb0A1 VAL 498 HG13 0.05 -0.02 -0.22 -0.04 0.97 0.74 3hb0A1 VAL 498 HG23 -0.35 0.04 -0.26 -0.04 0.95 0.34 3hb0A1 VAL 499 H -0.01 0.75 0.19 -0.55 8.24 8.61 3hb0A1 VAL 499 HA -0.15 0.19 0.88 -0.75 4.13 4.29 3hb0A1 VAL 499 HB 0.23 0.03 0.12 -0.04 2.12 2.47 3hb0A1 VAL 499 HG13 0.21 0.01 -0.20 -0.04 0.97 0.94 3hb0A1 VAL 499 HG23 -0.45 0.01 -0.11 -0.04 0.95 0.36 3hb0A1 ILE 500 H -0.17 0.55 0.16 -0.55 8.25 8.23 3hb0A1 ILE 500 HA -0.30 0.31 0.91 -0.75 4.18 4.35 3hb0A1 ILE 500 HB -0.66 -0.07 0.06 -0.04 1.89 1.18 3hb0A1 ILE 500 HG12 -0.49 0.03 -0.14 -0.04 1.49 0.85 3hb0A1 ILE 500 HG13 -0.43 0.02 -0.34 -0.04 1.21 0.41 3hb0A1 ILE 500 HG23 -0.47 -0.01 -0.14 -0.04 0.93 0.27 3hb0A1 ILE 500 HD13 -1.46 0.00 -0.10 -0.04 0.88 -0.72 3hb0A1 GLY 501 H -0.19 0.55 0.26 -0.55 8.43 8.51 3hb0A1 GLY 501 HA2 0.21 -0.01 0.48 -0.51 4.01 4.19 3hb0A1 GLY 501 HA3 0.29 -0.01 0.33 -0.51 4.01 4.11 3hb0A1 ASP 502 H 0.24 0.02 0.18 -0.55 8.40 8.29 3hb0A1 ASP 502 HA 0.24 0.22 0.94 -0.75 4.63 5.28 3hb0A1 ASP 502 HB2 0.20 0.02 0.22 -0.04 2.71 3.11 3hb0A1 ASP 502 HB3 0.24 0.20 0.13 -0.04 2.70 3.23 3hb0A1 GLY 503 H 0.22 -0.06 0.09 -0.55 8.43 8.13 3hb0A1 GLY 503 HA2 0.12 0.24 0.74 -0.51 4.01 4.60 3hb0A1 GLY 503 HA3 0.12 -0.07 0.33 -0.51 4.01 3.88 3hb0A1 VAL 504 H 0.06 0.18 0.16 -0.55 8.24 8.09 3hb0A1 VAL 504 HA -0.01 0.18 0.43 -0.75 4.13 3.97 3hb0A1 VAL 504 HB -0.01 0.07 0.02 -0.04 2.12 2.15 3hb0A1 VAL 504 HG13 0.02 0.04 0.06 -0.04 0.97 1.04 3hb0A1 VAL 504 HG23 0.02 0.00 0.08 -0.04 0.95 1.01 3hb0A1 GLU 505 H 0.03 0.09 -0.02 -0.55 8.60 8.15 3hb0A1 GLU 505 HA -0.01 0.12 0.33 -0.75 4.29 3.97 3hb0A1 GLU 505 HB2 0.01 0.03 0.13 -0.04 2.09 2.22 3hb0A1 GLU 505 HB3 0.02 -0.06 0.05 -0.04 1.99 1.96 3hb0A1 GLU 505 HG2 -0.06 -0.04 -0.08 -0.04 2.34 2.11 3hb0A1 GLU 505 HG3 -0.02 0.09 0.05 -0.04 2.34 2.41 3hb0A1 GLU 506 H 0.09 0.03 -0.31 -0.55 8.60 7.87 3hb0A1 GLU 506 HA 0.24 0.05 0.27 -0.75 4.29 4.09 3hb0A1 GLU 506 HB2 0.42 0.15 -0.22 -0.04 2.09 2.40 3hb0A1 GLU 506 HB3 0.37 0.09 -0.04 -0.04 1.99 2.38 3hb0A1 GLU 506 HG2 0.14 -0.10 -0.01 -0.04 2.34 2.33 3hb0A1 GLU 506 HG3 0.15 0.13 -0.29 -0.04 2.34 2.29 3hb0A1 GLU 507 H -0.11 0.23 -0.33 -0.55 8.60 7.84 3hb0A1 GLU 507 HA -1.14 0.12 0.40 -0.75 4.29 2.91 3hb0A1 GLU 507 HB2 -1.17 0.03 -0.01 -0.04 2.09 0.89 3hb0A1 GLU 507 HB3 -0.34 0.02 0.12 -0.04 1.99 1.74 3hb0A1 GLU 507 HG2 -0.35 -0.00 -0.23 -0.04 2.34 1.72 3hb0A1 GLU 507 HG3 -0.98 0.02 -0.02 -0.04 2.34 1.32 3hb0A1 GLN 508 H -0.10 0.64 -0.02 -0.55 8.47 8.44 3hb0A1 GLN 508 HA -0.06 0.06 0.43 -0.75 4.36 4.04 3hb0A1 GLN 508 HB2 -0.04 -0.02 0.07 -0.04 2.15 2.11 3hb0A1 GLN 508 HB3 -0.03 0.06 0.13 -0.04 2.02 2.14 3hb0A1 GLN 508 HG2 -0.01 -0.03 -0.03 -0.04 2.40 2.28 3hb0A1 GLN 508 HG3 -0.00 -0.00 -0.22 -0.04 2.39 2.12 3hb0A1 GLN 508 HE21 -0.02 0.03 0.00 -0.04 6.97 6.94 3hb0A1 GLN 508 HE22 -0.03 -0.03 0.00 -0.04 7.69 7.60 3hb0A1 GLY 509 H 0.03 0.54 -0.16 -0.55 8.43 8.29 3hb0A1 GLY 509 HA2 0.09 0.01 0.41 -0.51 4.01 4.00 3hb0A1 GLY 509 HA3 0.05 -0.03 0.19 -0.51 4.01 3.71 3hb0A1 ALA 510 H 0.14 0.32 -0.40 -0.55 8.40 7.91 3hb0A1 ALA 510 HA 0.11 0.04 0.37 -0.75 4.34 4.11 3hb0A1 ALA 510 HB3 0.10 0.12 0.06 -0.04 1.41 1.65 3hb0A1 LYS 511 H 0.02 0.30 -0.30 -0.55 8.42 7.89 3hb0A1 LYS 511 HA 0.03 0.07 0.46 -0.75 4.32 4.12 3hb0A1 LYS 511 HB2 0.00 0.10 0.19 -0.04 1.87 2.12 3hb0A1 LYS 511 HB3 0.00 -0.03 0.01 -0.04 1.79 1.73 3hb0A1 LYS 511 HG2 -0.02 -0.01 0.01 -0.04 1.46 1.40 3hb0A1 LYS 511 HG3 -0.07 0.25 0.08 -0.04 1.46 1.67 3hb0A1 LYS 511 HD2 -0.04 -0.06 -0.00 -0.04 1.69 1.55 3hb0A1 LYS 511 HD3 -0.02 -0.01 -0.01 -0.04 1.68 1.60 3hb0A1 LYS 511 HE2 -0.04 0.01 -0.03 -0.04 2.99 2.89 3hb0A1 LYS 511 HE3 -0.11 -0.01 -0.11 -0.04 2.99 2.72 3hb0A1 LYS 512 H 0.09 0.44 -0.05 -0.55 8.42 8.35 3hb0A1 LYS 512 HA 0.01 0.01 0.36 -0.75 4.32 3.94 3hb0A1 LYS 512 HB2 0.20 0.05 0.14 -0.04 1.87 2.22 3hb0A1 LYS 512 HB3 0.04 -0.01 0.01 -0.04 1.79 1.79 3hb0A1 LYS 512 HG2 0.00 -0.01 0.05 -0.04 1.46 1.46 3hb0A1 LYS 512 HG3 0.02 -0.01 0.05 -0.04 1.46 1.48 3hb0A1 LYS 512 HD2 0.05 -0.00 -0.07 -0.04 1.69 1.63 3hb0A1 LYS 512 HD3 0.05 -0.04 -0.01 -0.04 1.68 1.64 3hb0A1 LYS 512 HE2 0.01 0.01 -0.01 -0.04 2.99 2.95 3hb0A1 LYS 512 HE3 0.01 0.02 -0.01 -0.04 2.99 2.96 3hb0A1 HIS 513 H 0.23 0.20 -0.79 -0.55 8.41 7.50 3hb0A1 HIS 513 HA -0.00 0.18 0.88 -0.75 4.63 4.94 3hb0A1 HIS 513 HB2 0.03 0.04 -0.03 -0.04 3.26 3.26 3hb0A1 HIS 513 HB3 -0.04 0.01 0.06 -0.04 3.20 3.19 3hb0A1 HIS 513 HD2 0.06 0.04 -0.20 -0.04 6.97 6.82 3hb0A1 HIS 513 HE1 0.01 -0.06 -0.04 -0.04 7.75 7.62 3hb0A1 ASN 514 H 0.06 0.43 -0.15 -0.55 8.53 8.32 3hb0A1 ASN 514 HA 0.03 -0.03 0.33 -0.75 4.76 4.34 3hb0A1 ASN 514 HB2 0.02 0.15 -0.01 -0.04 2.88 3.00 3hb0A1 ASN 514 HB3 0.02 -0.06 0.18 -0.04 2.79 2.88 3hb0A1 ASN 514 HD21 -0.02 -0.05 -0.08 -0.04 7.03 6.84 3hb0A1 ASN 514 HD22 -0.01 0.05 -0.21 -0.04 7.74 7.53 3hb0A1 MET 515 H 0.06 0.68 -0.03 -0.55 8.47 8.64 3hb0A1 MET 515 HA 0.03 0.23 0.84 -0.75 4.52 4.86 3hb0A1 MET 515 HB2 -0.01 -0.14 0.09 -0.04 2.15 2.04 3hb0A1 MET 515 HB3 -0.03 -0.00 -0.10 -0.04 2.03 1.86 3hb0A1 MET 515 HG2 -0.08 0.11 -0.12 -0.04 2.63 2.51 3hb0A1 MET 515 HG3 0.03 -0.02 -0.27 -0.04 2.56 2.26 3hb0A1 MET 515 HE3 -0.17 -0.04 -0.14 -0.04 2.10 1.72 3hb0A1 PRO 516 HA 0.07 -0.04 0.41 -0.51 4.44 4.37 3hb0A1 PRO 516 HB2 0.04 -0.03 -0.02 -0.04 2.28 2.22 3hb0A1 PRO 516 HB3 0.02 -0.01 0.10 -0.04 2.02 2.10 3hb0A1 PRO 516 HG2 0.00 0.36 0.30 -0.04 2.03 2.65 3hb0A1 PRO 516 HG3 0.01 -0.01 0.11 -0.04 2.03 2.09 3hb0A1 PRO 516 HD2 0.04 0.15 0.36 -0.04 3.68 4.18 3hb0A1 PRO 516 HD3 0.03 0.13 0.15 -0.04 3.65 3.92 3hb0A1 PHE 517 H 0.15 0.13 0.20 -0.55 8.34 8.27 3hb0A1 PHE 517 HA 0.03 0.26 1.05 -0.75 4.62 5.21 3hb0A1 PHE 517 HB2 0.02 0.10 -0.00 -0.04 3.15 3.23 3hb0A1 PHE 517 HB3 0.01 -0.06 0.11 -0.04 3.06 3.08 3hb0A1 PHE 517 HD2 0.03 0.02 -0.11 -0.04 7.28 7.17 3hb0A1 PHE 517 HE2 0.09 -0.09 -0.29 -0.04 7.38 7.05 3hb0A1 PHE 517 HZ 0.11 -0.02 -0.27 -0.04 7.32 7.10 3hb0A1 TRP 518 H -0.45 0.79 0.22 -0.55 7.97 7.98 3hb0A1 TRP 518 HA -0.25 0.15 0.92 -0.75 4.62 4.68 3hb0A1 TRP 518 HB2 -0.23 0.03 -0.13 -0.04 3.23 2.86 3hb0A1 TRP 518 HB3 -0.35 -0.08 0.09 -0.04 3.23 2.85 3hb0A1 TRP 518 HD1 -0.17 0.03 -0.53 -0.04 7.22 6.50 3hb0A1 TRP 518 HE1 -0.07 0.02 0.01 -0.04 10.20 10.12 3hb0A1 TRP 518 HE3 -0.09 0.01 -0.12 -0.04 7.59 7.36 3hb0A1 TRP 518 HZ2 -0.04 -0.10 -0.31 -0.04 7.44 6.94 3hb0A1 TRP 518 HZ3 -0.04 0.04 -0.07 -0.04 7.13 7.03 3hb0A1 TRP 518 HH2 -0.04 0.05 -0.10 -0.04 7.19 7.06 3hb0A1 ARG 519 H -0.24 0.16 0.08 -0.55 8.46 7.90 3hb0A1 ARG 519 HA -0.22 0.25 0.69 -0.75 4.34 4.31 3hb0A1 ARG 519 HB2 0.34 -0.00 0.04 -0.04 1.90 2.23 3hb0A1 ARG 519 HB3 0.09 -0.04 0.04 -0.04 1.80 1.85 3hb0A1 ARG 519 HG2 0.19 -0.04 -0.21 -0.04 1.67 1.57 3hb0A1 ARG 519 HG3 0.33 0.08 0.07 -0.04 1.67 2.11 3hb0A1 ARG 519 HD2 0.14 -0.05 -0.10 -0.04 3.22 3.17 3hb0A1 ARG 519 HD3 0.17 0.02 -0.07 -0.04 3.22 3.31 3hb0A1 ILE 520 H 0.16 0.52 0.16 -0.55 8.25 8.54 3hb0A1 ILE 520 HA 0.21 0.07 0.94 -0.75 4.18 4.64 3hb0A1 ILE 520 HB 0.24 -0.08 -0.02 -0.04 1.89 1.98 3hb0A1 ILE 520 HG12 0.18 0.02 -0.21 -0.04 1.49 1.43 3hb0A1 ILE 520 HG13 0.14 0.08 -0.45 -0.04 1.21 0.94 3hb0A1 ILE 520 HG23 0.31 0.02 -0.16 -0.04 0.93 1.06 3hb0A1 ILE 520 HD13 0.05 -0.00 -0.15 -0.04 0.88 0.74 3hb0A1 SER 521 H 0.21 0.03 0.17 -0.55 8.46 8.33 3hb0A1 SER 521 HA 0.28 0.24 0.97 -0.75 4.49 5.23 3hb0A1 SER 521 HB2 0.17 -0.02 0.02 -0.04 3.95 4.08 3hb0A1 SER 521 HB3 0.17 0.01 0.08 -0.04 3.93 4.16 3hb0A1 CYS 522 H 0.24 0.07 0.22 -0.55 8.50 8.48 3hb0A1 CYS 522 HA 0.71 0.21 0.57 -0.75 4.58 5.31 3hb0A1 CYS 522 HB2 0.38 -0.04 0.15 -0.04 2.97 3.42 3hb0A1 CYS 522 HB3 0.35 0.23 -0.11 -0.04 2.97 3.40 3hb0A1 HIS 523 H 0.39 0.26 0.15 -0.55 8.41 8.66 3hb0A1 HIS 523 HA -0.66 0.10 0.38 -0.75 4.63 3.70 3hb0A1 HIS 523 HB2 -0.11 -0.02 0.13 -0.04 3.26 3.22 3hb0A1 HIS 523 HB3 -0.41 0.08 0.04 -0.04 3.20 2.87 3hb0A1 HIS 523 HD2 0.41 0.07 -0.06 -0.04 6.97 7.34 3hb0A1 HIS 523 HE1 -0.21 0.00 0.00 -0.04 7.75 7.50 3hb0A1 ALA 524 H 0.07 0.11 -0.15 -0.55 8.40 7.88 3hb0A1 ALA 524 HA -0.04 0.10 0.35 -0.75 4.34 4.01 3hb0A1 ALA 524 HB3 0.05 0.03 0.03 -0.04 1.41 1.48 3hb0A1 ASP 525 H 0.04 0.18 -0.32 -0.55 8.40 7.75 3hb0A1 ASP 525 HA 0.19 0.11 0.51 -0.75 4.63 4.69 3hb0A1 ASP 525 HB2 0.12 0.00 0.23 -0.04 2.71 3.01 3hb0A1 ASP 525 HB3 0.27 0.23 0.17 -0.04 2.70 3.33 3hb0A1 LEU 526 H -0.14 0.32 -0.09 -0.55 8.37 7.91 3hb0A1 LEU 526 HA -0.09 0.07 0.46 -0.75 4.35 4.03 3hb0A1 LEU 526 HB2 -0.30 0.11 0.09 -0.04 1.64 1.50 3hb0A1 LEU 526 HB3 -0.13 0.04 -0.14 -0.04 1.64 1.37 3hb0A1 LEU 526 HG -0.28 -0.06 -0.02 -0.04 1.64 1.24 3hb0A1 LEU 526 HD13 -0.90 -0.00 -0.05 -0.04 0.93 -0.07 3hb0A1 LEU 526 HD23 0.11 0.03 -0.04 -0.04 0.89 0.95 3hb0A1 GLU 527 H -0.11 0.38 -0.17 -0.55 8.60 8.15 3hb0A1 GLU 527 HA -0.07 0.08 0.47 -0.75 4.29 4.02 3hb0A1 GLU 527 HB2 -0.17 -0.01 0.04 -0.04 2.09 1.91 3hb0A1 GLU 527 HB3 -0.07 0.05 0.15 -0.04 1.99 2.07 3hb0A1 GLU 527 HG2 -0.05 -0.03 -0.04 -0.04 2.34 2.18 3hb0A1 GLU 527 HG3 0.01 0.03 -0.31 -0.04 2.34 2.03 3hb0A1 ALA 528 H 0.08 0.44 -0.16 -0.55 8.40 8.22 3hb0A1 ALA 528 HA 0.19 0.04 0.43 -0.75 4.34 4.24 3hb0A1 ALA 528 HB3 0.32 0.03 0.10 -0.04 1.41 1.82 3hb0A1 LEU 529 H -0.04 0.39 -0.24 -0.55 8.37 7.94 3hb0A1 LEU 529 HA -0.95 0.04 0.40 -0.75 4.35 3.09 3hb0A1 LEU 529 HB2 -1.17 0.02 0.09 -0.04 1.64 0.54 3hb0A1 LEU 529 HB3 -0.38 0.11 0.13 -0.04 1.64 1.45 3hb0A1 LEU 529 HG -0.50 0.02 -0.23 -0.04 1.64 0.90 3hb0A1 LEU 529 HD13 -1.31 -0.01 -0.02 -0.04 0.93 -0.45 3hb0A1 LEU 529 HD23 -0.64 -0.01 -0.06 -0.04 0.89 0.14 3hb0A1 ARG 530 H -0.11 0.43 -0.23 -0.55 8.46 8.00 3hb0A1 ARG 530 HA -0.11 0.04 0.36 -0.75 4.34 3.87 3hb0A1 ARG 530 HB2 -0.06 0.12 0.14 -0.04 1.90 2.05 3hb0A1 ARG 530 HB3 -0.03 0.09 0.08 -0.04 1.80 1.89 3hb0A1 ARG 530 HG2 -0.06 0.00 -0.04 -0.04 1.67 1.53 3hb0A1 ARG 530 HG3 -0.06 -0.01 -0.26 -0.04 1.67 1.29 3hb0A1 ARG 530 HD2 -0.04 -0.02 -0.05 -0.04 3.22 3.07 3hb0A1 ARG 530 HD3 -0.03 -0.03 -0.03 -0.04 3.22 3.09 3hb0A1 HIS 531 H 0.10 0.44 -0.27 -0.55 8.41 8.13 3hb0A1 HIS 531 HA -0.02 0.02 0.37 -0.75 4.63 4.24 3hb0A1 HIS 531 HB2 0.01 0.06 0.12 -0.04 3.26 3.42 3hb0A1 HIS 531 HB3 0.05 0.10 0.12 -0.04 3.20 3.42 3hb0A1 HIS 531 HD2 0.01 -0.00 0.05 -0.04 6.97 6.98 3hb0A1 HIS 531 HE1 0.02 -0.03 -0.02 -0.04 7.75 7.67 3hb0A1 ALA 532 H 0.08 0.46 -0.16 -0.55 8.40 8.23 3hb0A1 ALA 532 HA 0.01 -0.00 0.42 -0.75 4.34 4.02 3hb0A1 ALA 532 HB3 0.13 0.02 0.08 -0.04 1.41 1.59 3hb0A1 LEU 533 H -0.07 0.51 -0.22 -0.55 8.37 8.04 3hb0A1 LEU 533 HA -0.06 0.01 0.38 -0.75 4.35 3.92 3hb0A1 LEU 533 HB2 -0.13 0.12 0.17 -0.04 1.64 1.77 3hb0A1 LEU 533 HB3 -0.14 -0.03 -0.02 -0.04 1.64 1.41 3hb0A1 LEU 533 HG -0.26 0.07 0.00 -0.04 1.64 1.42 3hb0A1 LEU 533 HD13 -0.31 -0.04 -0.05 -0.04 0.93 0.49 3hb0A1 LEU 533 HD23 -0.33 -0.01 -0.05 -0.04 0.89 0.47 3hb0A1 GLU 534 H -0.01 0.34 -0.36 -0.55 8.60 8.03 3hb0A1 GLU 534 HA -0.13 0.20 0.78 -0.75 4.29 4.39 3hb0A1 GLU 534 HB2 -0.03 -0.07 0.13 -0.04 2.09 2.07 3hb0A1 GLU 534 HB3 -0.04 -0.01 0.05 -0.04 1.99 1.95 3hb0A1 GLU 534 HG2 0.08 0.13 0.15 -0.04 2.34 2.67 3hb0A1 GLU 534 HG3 0.10 0.03 -0.19 -0.04 2.34 2.23 3hb0A1 LEU 535 H -0.02 0.35 -0.23 -0.55 8.37 7.92 3hb0A1 LEU 535 HA 0.05 0.12 0.76 -0.75 4.35 4.53 3hb0A1 LEU 535 HB2 0.01 0.06 0.05 -0.04 1.64 1.72 3hb0A1 LEU 535 HB3 0.06 -0.09 0.11 -0.04 1.64 1.68 3hb0A1 LEU 535 HG 0.12 0.39 0.06 -0.04 1.64 2.16 3hb0A1 LEU 535 HD13 -0.15 -0.05 -0.04 -0.04 0.93 0.65 3hb0A1 LEU 535 HD23 0.16 -0.02 -0.05 -0.04 0.89 0.94 3hb0A1 GLU 536 H -0.15 0.26 -0.22 -0.55 8.60 7.95 3hb0A1 GLU 536 HA 0.04 0.13 0.97 -0.75 4.29 4.67 3hb0A1 GLU 536 HB2 0.00 -0.02 -0.06 -0.04 2.09 1.97 3hb0A1 GLU 536 HB3 -0.05 0.08 0.05 -0.04 1.99 2.04 3hb0A1 GLU 536 HG2 0.00 -0.04 -0.50 -0.04 2.34 1.76 3hb0A1 GLU 536 HG3 0.04 -0.01 -0.10 -0.04 2.34 2.23 3hb0A1 TYR 537 H 0.24 0.22 0.12 -0.55 8.29 8.32 3hb0A1 TYR 537 HA 0.00 0.15 0.86 -0.75 4.56 4.82 3hb0A1 TYR 537 HB2 0.02 -0.01 0.14 -0.04 3.06 3.17 3hb0A1 TYR 537 HB3 0.01 -0.02 0.03 -0.04 2.98 2.96 3hb0A1 TYR 537 HD2 0.01 -0.01 -0.04 -0.04 7.15 7.07 3hb0A1 TYR 537 HE2 0.01 0.02 -0.08 -0.04 6.85 6.76 3hb0A1 LEU 538 H 0.02 0.18 0.03 -0.55 8.37 8.05 3hb0A1 LEU 538 HA 0.09 0.22 0.73 -0.75 4.35 4.63 3hb0A1 LEU 538 HB2 -0.01 -0.02 0.09 -0.04 1.64 1.66 3hb0A1 LEU 538 HB3 0.04 0.11 0.13 -0.04 1.64 1.88 3hb0A1 LEU 538 HG 0.01 -0.01 -0.24 -0.04 1.64 1.36 3hb0A1 LEU 538 HD13 0.00 0.03 -0.15 -0.04 0.93 0.77 3hb0A1 LEU 538 HD23 0.04 0.01 -0.19 -0.04 0.89 0.71