============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TYR 5 0.840 -2.547 44.035 15.371 -99.200 -91.000 PHE 6 1.000 -3.044 37.818 17.907 -99.200 -91.000 TYR 11 0.840 5.785 38.443 18.122 -99.200 -91.000 TYR 23 0.840 29.386 44.088 34.236 -99.200 -91.000 PHE 39 1.000 51.197 22.371 46.678 -99.200 -91.000 TYR 67 0.840 -5.300 31.800 35.037 -99.200 -91.000 HIS 108 0.900 -8.898 14.824 26.546 -99.200 -91.000 TRP 130 1.040 -8.340 12.303 36.751 -99.200 -91.000 TRP6 130 1.020 -7.050 10.630 35.703 -99.200 -91.000 TYR 134 0.840 -5.454 6.258 40.362 -99.200 -91.000 TYR 138 0.840 -3.619 11.904 52.165 -99.200 -91.000 TYR 147 0.840 19.090 15.343 40.797 -99.200 -91.000 TYR 153 0.840 31.660 25.731 40.731 -99.200 -91.000 PHE 162 1.000 18.766 25.707 40.050 -99.200 -91.000 PHE 166 1.000 19.169 28.753 43.553 -99.200 -91.000 PHE 177 1.000 26.835 32.084 45.423 -99.200 -91.000 PHE 192 1.000 13.154 14.993 44.317 -99.200 -91.000 TYR 196 0.840 2.517 14.783 44.330 -99.200 -91.000 TYR 197 0.840 -2.517 18.243 39.340 -99.200 -91.000 PHE 211 1.000 -7.269 37.818 22.061 -99.200 -91.000 TYR 231 0.840 -1.393 29.529 24.251 -99.200 -91.000 TYR 237 0.840 -1.304 22.963 38.762 -99.200 -91.000 PHE 242 1.000 13.756 25.454 43.215 -99.200 -91.000 PHE 258 1.000 27.423 17.289 47.568 -99.200 -91.000 TYR 273 0.840 36.325 10.887 50.820 -99.200 -91.000 PHE 282 1.000 18.760 19.029 54.636 -99.200 -91.000 TYR 285 0.840 11.389 28.301 49.169 -99.200 -91.000 PHE 287 1.000 7.625 25.861 45.390 -99.200 -91.000 TYR 315 0.840 3.476 11.888 56.185 -99.200 -91.000 TYR 326 0.840 5.113 29.822 34.346 -99.200 -91.000 PHE 330 1.000 6.531 34.605 21.974 -99.200 -91.000 TYR 345 0.840 30.381 28.716 35.835 -99.200 -91.000 HIS 353 0.900 48.072 17.562 44.934 -99.200 -91.000 HIS 362 0.900 74.549 1.296 56.603 -99.200 -91.000 TYR 366 0.840 76.917 -2.391 53.771 -99.200 -91.000 TYR 370 0.840 70.821 5.723 52.793 -99.200 -91.000 TRP 374 1.040 61.667 15.961 46.533 -99.200 -91.000 TRP6 374 1.020 63.176 15.399 48.257 -99.200 -91.000 TYR 379 0.840 50.502 24.948 41.010 -99.200 -91.000 TRP 387 1.040 57.004 19.384 39.028 -99.200 -91.000 TRP6 387 1.020 56.078 18.135 37.253 -99.200 -91.000 TRP 392 1.040 68.363 13.227 53.063 -99.200 -91.000 TRP6 392 1.020 69.796 11.489 53.763 -99.200 -91.000 HIS 402 0.900 71.305 1.230 63.455 -99.200 -91.000 TRP 403 1.040 72.016 7.563 59.527 -99.200 -91.000 TRP6 403 1.020 70.235 7.870 58.010 -99.200 -91.000 HIS 417 0.900 66.483 7.247 41.052 -99.200 -91.000 TRP 428 1.040 88.531 -5.195 41.737 -99.200 -91.000 TRP6 428 1.020 86.483 -6.326 41.435 -99.200 -91.000 TRP 430 1.040 87.084 2.278 47.334 -99.200 -91.000 TRP6 430 1.020 86.759 4.548 47.890 -99.200 -91.000 TRP 431 1.040 82.055 4.418 46.763 -99.200 -91.000 TRP6 431 1.020 80.737 4.233 48.712 -99.200 -91.000 TYR 435 0.840 65.930 0.574 46.289 -99.200 -91.000 TRP 450 1.040 70.062 -7.512 55.925 -99.200 -91.000 TRP6 450 1.020 67.958 -7.432 54.861 -99.200 -91.000 TYR 455 0.840 74.002 -11.454 48.877 -99.200 -91.000 TYR 458 0.840 66.502 -4.265 47.508 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hvnA1 ASP 32 HA 0.03 -0.01 0.25 -0.75 4.63 4.15 3hvnA1 ASP 32 HB2 0.03 0.08 0.07 -0.04 2.71 2.85 3hvnA1 ASP 32 HB3 0.05 -0.06 0.02 -0.04 2.70 2.67 3hvnA1 ILE 33 H 0.07 0.14 0.14 -0.55 8.25 8.05 3hvnA1 ILE 33 HA 0.12 0.17 0.54 -0.75 4.18 4.26 3hvnA1 ILE 33 HB 0.11 -0.07 0.15 -0.04 1.89 2.04 3hvnA1 ILE 33 HG12 -0.10 0.04 0.01 -0.04 1.49 1.40 3hvnA1 ILE 33 HG13 -0.04 -0.01 0.04 -0.04 1.21 1.16 3hvnA1 ILE 33 HG23 0.38 0.00 -0.20 -0.04 0.93 1.07 3hvnA1 ILE 33 HD13 -0.01 0.07 0.11 -0.04 0.88 1.00 3hvnA1 ASN 34 H 0.13 0.11 0.05 -0.55 8.53 8.27 3hvnA1 ASN 34 HA 0.22 0.09 0.40 -0.75 4.76 4.72 3hvnA1 ASN 34 HB2 0.08 0.00 0.07 -0.04 2.88 2.99 3hvnA1 ASN 34 HB3 0.07 0.12 0.05 -0.04 2.79 2.99 3hvnA1 ASN 34 HD21 0.02 -0.08 0.07 -0.04 7.03 7.00 3hvnA1 ASN 34 HD22 0.03 0.11 0.05 -0.04 7.74 7.89 3hvnA1 GLN 35 H 0.11 0.09 -0.48 -0.55 8.47 7.66 3hvnA1 GLN 35 HA 0.08 0.08 0.42 -0.75 4.36 4.18 3hvnA1 GLN 35 HB2 0.09 0.21 0.04 -0.04 2.15 2.45 3hvnA1 GLN 35 HB3 0.07 0.02 -0.01 -0.04 2.02 2.06 3hvnA1 GLN 35 HG2 0.05 0.01 0.00 -0.04 2.40 2.42 3hvnA1 GLN 35 HG3 0.06 -0.14 -0.02 -0.04 2.39 2.25 3hvnA1 GLN 35 HE21 0.03 0.02 0.01 -0.04 6.97 6.98 3hvnA1 GLN 35 HE22 0.03 -0.03 -0.00 -0.04 7.69 7.65 3hvnA1 TYR 36 H 0.22 0.32 -0.13 -0.55 8.29 8.15 3hvnA1 TYR 36 HA 0.00 0.03 0.47 -0.75 4.56 4.31 3hvnA1 TYR 36 HB2 -0.02 0.04 0.15 -0.04 3.06 3.19 3hvnA1 TYR 36 HB3 -0.03 0.11 0.20 -0.04 2.98 3.22 3hvnA1 TYR 36 HD2 -0.18 0.02 -0.05 -0.04 7.15 6.89 3hvnA1 TYR 36 HE2 -0.13 -0.01 -0.10 -0.04 6.85 6.56 3hvnA1 PHE 37 H 0.31 0.59 -0.08 -0.55 8.34 8.60 3hvnA1 PHE 37 HA -0.06 -0.01 0.48 -0.75 4.62 4.27 3hvnA1 PHE 37 HB2 0.09 -0.01 0.15 -0.04 3.15 3.34 3hvnA1 PHE 37 HB3 0.07 0.06 -0.01 -0.04 3.06 3.14 3hvnA1 PHE 37 HD2 0.15 -0.02 -0.11 -0.04 7.28 7.27 3hvnA1 PHE 37 HE2 0.23 -0.03 -0.06 -0.04 7.38 7.48 3hvnA1 PHE 37 HZ 0.49 0.02 -0.05 -0.04 7.32 7.74 3hvnA1 GLN 38 H 0.14 0.51 -0.16 -0.55 8.47 8.41 3hvnA1 GLN 38 HA 0.04 0.04 0.49 -0.75 4.36 4.17 3hvnA1 GLN 38 HB2 0.05 0.08 0.17 -0.04 2.15 2.41 3hvnA1 GLN 38 HB3 0.02 -0.06 0.05 -0.04 2.02 2.00 3hvnA1 GLN 38 HG2 0.05 -0.02 0.04 -0.04 2.40 2.43 3hvnA1 GLN 38 HG3 0.09 0.21 0.12 -0.04 2.39 2.77 3hvnA1 GLN 38 HE21 0.04 -0.06 -0.05 -0.04 6.97 6.86 3hvnA1 GLN 38 HE22 0.05 0.01 -0.03 -0.04 7.69 7.67 3hvnA1 SER 39 H -0.03 0.32 -0.28 -0.55 8.46 7.92 3hvnA1 SER 39 HA -0.04 0.03 0.50 -0.75 4.49 4.23 3hvnA1 SER 39 HB2 -0.02 -0.10 0.08 -0.04 3.95 3.87 3hvnA1 SER 39 HB3 0.01 0.02 0.09 -0.04 3.93 4.01 3hvnA1 LEU 40 H -0.21 0.33 -0.29 -0.55 8.37 7.65 3hvnA1 LEU 40 HA -0.18 -0.14 0.39 -0.75 4.35 3.66 3hvnA1 LEU 40 HB2 -0.02 0.31 0.21 -0.04 1.64 2.10 3hvnA1 LEU 40 HB3 0.13 -0.11 -0.02 -0.04 1.64 1.60 3hvnA1 LEU 40 HG -0.74 0.31 0.05 -0.04 1.64 1.22 3hvnA1 LEU 40 HD13 -0.29 -0.03 -0.01 -0.04 0.93 0.56 3hvnA1 LEU 40 HD23 -0.42 -0.03 -0.16 -0.04 0.89 0.24 3hvnA1 THR 41 H -0.03 0.06 0.19 -0.55 8.28 7.95 3hvnA1 THR 41 HA -0.16 0.22 1.01 -0.75 4.39 4.70 3hvnA1 THR 41 HB -0.03 -0.08 0.26 -0.04 4.32 4.43 3hvnA1 THR 41 HG23 -0.05 -0.02 -0.03 -0.04 1.22 1.07 3hvnA1 TYR 42 H -0.51 0.26 0.08 -0.55 8.29 7.57 3hvnA1 TYR 42 HA -0.03 0.21 0.88 -0.75 4.56 4.88 3hvnA1 TYR 42 HB2 -0.01 -0.04 0.03 -0.04 3.06 3.00 3hvnA1 TYR 42 HB3 -0.01 0.17 -0.08 -0.04 2.98 3.01 3hvnA1 TYR 42 HD2 -0.08 -0.05 -0.33 -0.04 7.15 6.64 3hvnA1 TYR 42 HE2 -0.34 -0.02 -0.04 -0.04 6.85 6.41 3hvnA1 GLU 43 H 0.15 0.22 0.06 -0.55 8.60 8.48 3hvnA1 GLU 43 HA -0.04 0.26 0.97 -0.75 4.29 4.72 3hvnA1 GLU 43 HB2 0.01 -0.14 0.07 -0.04 2.09 1.99 3hvnA1 GLU 43 HB3 -0.01 0.09 0.01 -0.04 1.99 2.04 3hvnA1 GLU 43 HG2 0.05 0.02 0.11 -0.04 2.34 2.48 3hvnA1 GLU 43 HG3 0.05 -0.04 0.10 -0.04 2.34 2.40 3hvnA1 PRO 44 HA -0.01 0.10 0.24 -0.51 4.44 4.27 3hvnA1 PRO 44 HB2 -0.23 0.02 0.04 -0.04 2.28 2.07 3hvnA1 PRO 44 HB3 -1.29 0.05 -0.01 -0.04 2.02 0.73 3hvnA1 PRO 44 HG2 -0.34 0.07 0.05 -0.04 2.03 1.77 3hvnA1 PRO 44 HG3 -0.29 0.04 -0.00 -0.04 2.03 1.74 3hvnA1 PRO 44 HD2 -0.13 0.08 0.20 -0.04 3.68 3.79 3hvnA1 PRO 44 HD3 -0.18 0.45 -0.04 -0.04 3.65 3.84 3hvnA1 GLN 45 H -0.02 0.12 -0.11 -0.55 8.47 7.91 3hvnA1 GLN 45 HA 0.06 0.22 0.36 -0.75 4.36 4.25 3hvnA1 GLN 45 HB2 0.00 0.02 0.07 -0.04 2.15 2.20 3hvnA1 GLN 45 HB3 0.00 -0.05 0.03 -0.04 2.02 1.96 3hvnA1 GLN 45 HG2 0.01 -0.02 -0.05 -0.04 2.40 2.29 3hvnA1 GLN 45 HG3 0.02 -0.01 -0.22 -0.04 2.39 2.13 3hvnA1 GLN 45 HE21 0.04 0.32 0.06 -0.04 6.97 7.35 3hvnA1 GLN 45 HE22 0.05 -0.15 0.04 -0.04 7.69 7.58 3hvnA1 GLU 46 H 0.03 0.10 -0.29 -0.55 8.60 7.89 3hvnA1 GLU 46 HA 0.03 0.08 0.39 -0.75 4.29 4.03 3hvnA1 GLU 46 HB2 0.03 0.09 0.05 -0.04 2.09 2.22 3hvnA1 GLU 46 HB3 0.02 0.00 0.08 -0.04 1.99 2.05 3hvnA1 GLU 46 HG2 0.01 -0.08 -0.01 -0.04 2.34 2.21 3hvnA1 GLU 46 HG3 0.01 0.01 0.01 -0.04 2.34 2.33 3hvnA1 ILE 47 H 0.07 0.29 -0.45 -0.55 8.25 7.62 3hvnA1 ILE 47 HA 0.05 0.12 0.77 -0.75 4.18 4.36 3hvnA1 ILE 47 HB 0.08 -0.02 0.01 -0.04 1.89 1.91 3hvnA1 ILE 47 HG12 0.04 -0.05 0.10 -0.04 1.49 1.54 3hvnA1 ILE 47 HG13 0.04 -0.04 0.11 -0.04 1.21 1.27 3hvnA1 ILE 47 HG23 0.16 0.05 -0.15 -0.04 0.93 0.95 3hvnA1 ILE 47 HD13 0.02 0.00 0.06 -0.04 0.88 0.93 3hvnA1 LEU 48 H 0.07 0.27 -0.44 -0.55 8.37 7.73 3hvnA1 LEU 48 HA 0.05 0.15 0.77 -0.75 4.35 4.56 3hvnA1 LEU 48 HB2 0.10 0.09 0.09 -0.04 1.64 1.88 3hvnA1 LEU 48 HB3 0.05 -0.07 0.08 -0.04 1.64 1.67 3hvnA1 LEU 48 HG 0.22 0.04 -0.31 -0.04 1.64 1.54 3hvnA1 LEU 48 HD13 0.17 -0.02 -0.31 -0.04 0.93 0.73 3hvnA1 LEU 48 HD23 0.02 0.03 -0.16 -0.04 0.89 0.73 3hvnA1 THR 49 H 0.03 0.18 -0.26 -0.55 8.28 7.68 3hvnA1 THR 49 HA 0.02 0.21 1.02 -0.75 4.39 4.88 3hvnA1 THR 49 HB 0.02 0.02 0.03 -0.04 4.32 4.36 3hvnA1 THR 49 HG23 0.01 -0.05 -0.17 -0.04 1.22 0.97 3hvnA1 ASN 50 H 0.01 0.30 0.09 -0.55 8.53 8.39 3hvnA1 ASN 50 HA 0.02 0.08 0.95 -0.75 4.76 5.06 3hvnA1 ASN 50 HB2 0.01 0.11 0.39 -0.04 2.88 3.35 3hvnA1 ASN 50 HB3 0.01 0.04 0.14 -0.04 2.79 2.94 3hvnA1 ASN 50 HD21 0.01 0.05 -0.06 -0.04 7.03 6.99 3hvnA1 ASN 50 HD22 0.01 -0.00 -0.03 -0.04 7.74 7.67 3hvnA1 GLU 51 H 0.02 0.11 0.02 -0.55 8.60 8.21 3hvnA1 GLU 51 HA 0.02 0.09 0.58 -0.75 4.29 4.23 3hvnA1 GLU 51 HB2 0.02 -0.20 0.17 -0.04 2.09 2.04 3hvnA1 GLU 51 HB3 0.02 0.03 0.06 -0.04 1.99 2.06 3hvnA1 GLU 51 HG2 0.03 0.05 0.03 -0.04 2.34 2.41 3hvnA1 GLU 51 HG3 0.04 0.03 -0.16 -0.04 2.34 2.20 3hvnA1 GLY 52 H 0.04 -0.02 0.04 -0.55 8.43 7.94 3hvnA1 GLY 52 HA2 0.11 -0.11 0.34 -0.51 4.01 3.84 3hvnA1 GLY 52 HA3 0.06 0.30 0.86 -0.51 4.01 4.72 3hvnA1 GLU 53 H 0.09 0.01 0.11 -0.55 8.60 8.26 3hvnA1 GLU 53 HA 0.05 0.12 0.99 -0.75 4.29 4.70 3hvnA1 GLU 53 HB2 -0.01 0.02 0.03 -0.04 2.09 2.09 3hvnA1 GLU 53 HB3 0.00 0.06 0.01 -0.04 1.99 2.02 3hvnA1 GLU 53 HG2 -0.03 -0.02 0.13 -0.04 2.34 2.37 3hvnA1 GLU 53 HG3 -0.13 -0.36 0.23 -0.04 2.34 2.04 3hvnA1 TYR 54 H -0.10 0.03 0.14 -0.55 8.29 7.82 3hvnA1 TYR 54 HA -0.00 -0.05 0.37 -0.75 4.56 4.13 3hvnA1 TYR 54 HB2 -0.00 0.05 -0.23 -0.04 3.06 2.83 3hvnA1 TYR 54 HB3 -0.00 0.06 0.15 -0.04 2.98 3.14 3hvnA1 TYR 54 HD2 -0.00 -0.03 -0.02 -0.04 7.15 7.05 3hvnA1 TYR 54 HE2 -0.00 0.02 0.01 -0.04 6.85 6.83 3hvnA1 ILE 55 H -0.00 -0.11 0.00 -0.55 8.25 7.59 3hvnA1 ILE 55 HA 0.05 0.27 0.86 -0.75 4.18 4.61 3hvnA1 ILE 55 HB 0.02 0.03 -0.29 -0.04 1.89 1.61 3hvnA1 ILE 55 HG12 -0.04 0.01 -0.16 -0.04 1.49 1.26 3hvnA1 ILE 55 HG13 -0.02 0.05 -0.28 -0.04 1.21 0.93 3hvnA1 ILE 55 HG23 -0.02 0.05 -0.09 -0.04 0.93 0.82 3hvnA1 ILE 55 HD13 0.02 0.02 -0.27 -0.04 0.88 0.61 3hvnA1 ASP 56 H -0.02 -0.16 0.08 -0.55 8.40 7.75 3hvnA1 ASP 56 HA -0.02 -0.02 0.30 -0.75 4.63 4.14 3hvnA1 ASP 56 HB2 0.01 0.30 -0.01 -0.04 2.71 2.97 3hvnA1 ASP 56 HB3 0.00 -0.08 0.20 -0.04 2.70 2.78 3hvnA1 ASN 57 H -0.00 0.17 0.16 -0.55 8.53 8.30 3hvnA1 ASN 57 HA -0.02 0.21 0.81 -0.75 4.76 5.01 3hvnA1 ASN 57 HB2 -0.01 -0.07 0.05 -0.04 2.88 2.81 3hvnA1 ASN 57 HB3 -0.02 0.10 -0.00 -0.04 2.79 2.83 3hvnA1 ASN 57 HD21 -0.02 -0.04 -0.04 -0.04 7.03 6.89 3hvnA1 ASN 57 HD22 -0.02 0.04 -0.01 -0.04 7.74 7.71 3hvnA1 PRO 58 HA -0.01 0.09 0.44 -0.51 4.44 4.45 3hvnA1 PRO 58 HB2 -0.03 0.23 -0.11 -0.04 2.28 2.33 3hvnA1 PRO 58 HB3 -0.02 -0.05 -0.08 -0.04 2.02 1.82 3hvnA1 PRO 58 HG2 -0.04 0.08 0.07 -0.04 2.03 2.10 3hvnA1 PRO 58 HG3 -0.05 -0.09 -0.10 -0.04 2.03 1.74 3hvnA1 PRO 58 HD2 -0.03 0.05 0.19 -0.04 3.68 3.84 3hvnA1 PRO 58 HD3 -0.04 0.15 0.08 -0.04 3.65 3.80 3hvnA1 PRO 59 HA -0.00 -0.06 0.44 -0.51 4.44 4.30 3hvnA1 PRO 59 HB2 -0.01 0.09 0.02 -0.04 2.28 2.33 3hvnA1 PRO 59 HB3 -0.00 -0.02 0.09 -0.04 2.02 2.05 3hvnA1 PRO 59 HG2 0.00 0.03 0.07 -0.04 2.03 2.09 3hvnA1 PRO 59 HG3 0.00 0.01 0.10 -0.04 2.03 2.10 3hvnA1 PRO 59 HD2 -0.00 0.10 0.16 -0.04 3.68 3.90 3hvnA1 PRO 59 HD3 0.00 0.14 0.23 -0.04 3.65 3.98 3hvnA1 ALA 60 H -0.01 -0.04 0.16 -0.55 8.40 7.97 3hvnA1 ALA 60 HA -0.02 0.07 0.32 -0.75 4.34 3.95 3hvnA1 ALA 60 HB3 0.00 -0.01 0.05 -0.04 1.41 1.41 3hvnA1 THR 61 H -0.04 0.05 0.21 -0.55 8.28 7.95 3hvnA1 THR 61 HA -0.10 0.13 0.64 -0.75 4.39 4.30 3hvnA1 THR 61 HB -0.21 0.11 0.16 -0.04 4.32 4.34 3hvnA1 THR 61 HG23 -0.06 -0.07 0.17 -0.04 1.22 1.23 3hvnA1 THR 62 H -0.20 0.50 0.43 -0.55 8.28 8.47 3hvnA1 THR 62 HA -0.07 0.23 0.98 -0.75 4.39 4.78 3hvnA1 THR 62 HB -0.01 -0.07 0.16 -0.04 4.32 4.36 3hvnA1 THR 62 HG23 -0.01 0.10 -0.18 -0.04 1.22 1.09 3hvnA1 GLY 63 H 0.07 0.25 0.26 -0.55 8.43 8.47 3hvnA1 GLY 63 HA2 -0.36 0.32 1.11 -0.51 4.01 4.56 3hvnA1 GLY 63 HA3 0.21 -0.05 0.33 -0.51 4.01 3.99 3hvnA1 MET 64 H -0.51 0.57 0.36 -0.55 8.47 8.34 3hvnA1 MET 64 HA 0.03 0.18 0.99 -0.75 4.52 4.96 3hvnA1 MET 64 HB2 -0.11 0.00 0.07 -0.04 2.15 2.07 3hvnA1 MET 64 HB3 -0.02 -0.00 0.05 -0.04 2.03 2.01 3hvnA1 MET 64 HG2 -0.06 -0.03 -0.45 -0.04 2.63 2.04 3hvnA1 MET 64 HG3 -0.05 0.04 -0.07 -0.04 2.56 2.43 3hvnA1 MET 64 HE3 0.01 -0.00 0.02 -0.04 2.10 2.09 3hvnA1 LEU 65 H 0.08 0.22 0.21 -0.55 8.37 8.32 3hvnA1 LEU 65 HA 0.19 0.31 1.16 -0.75 4.35 5.25 3hvnA1 LEU 65 HB2 0.12 -0.00 0.19 -0.04 1.64 1.91 3hvnA1 LEU 65 HB3 0.12 -0.06 0.02 -0.04 1.64 1.68 3hvnA1 LEU 65 HG 0.29 0.02 0.01 -0.04 1.64 1.92 3hvnA1 LEU 65 HD13 0.32 0.00 -0.26 -0.04 0.93 0.95 3hvnA1 LEU 65 HD23 0.12 -0.00 -0.01 -0.04 0.89 0.96 3hvnA1 GLU 66 H 0.09 0.78 0.19 -0.55 8.60 9.11 3hvnA1 GLU 66 HA 0.04 0.12 0.91 -0.75 4.29 4.61 3hvnA1 GLU 66 HB2 0.02 -0.01 -0.02 -0.04 2.09 2.05 3hvnA1 GLU 66 HB3 0.02 0.03 -0.04 -0.04 1.99 1.96 3hvnA1 GLU 66 HG2 0.02 0.09 -0.09 -0.04 2.34 2.31 3hvnA1 GLU 66 HG3 0.01 -0.12 -0.57 -0.04 2.34 1.62 3hvnA1 ASN 67 H 0.04 0.19 0.10 -0.55 8.53 8.32 3hvnA1 ASN 67 HA 0.04 0.03 0.36 -0.75 4.76 4.44 3hvnA1 ASN 67 HB2 0.03 0.11 -0.11 -0.04 2.88 2.87 3hvnA1 ASN 67 HB3 0.03 0.02 0.14 -0.04 2.79 2.94 3hvnA1 ASN 67 HD21 0.02 0.02 -0.01 -0.04 7.03 7.01 3hvnA1 ASN 67 HD22 0.02 0.02 -0.02 -0.04 7.74 7.72 3hvnA1 GLY 68 H 0.06 0.07 -0.09 -0.55 8.43 7.92 3hvnA1 GLY 68 HA2 0.05 -0.01 0.28 -0.51 4.01 3.83 3hvnA1 GLY 68 HA3 0.04 0.07 0.42 -0.51 4.01 4.04 3hvnA1 ARG 69 H 0.08 0.19 -0.53 -0.55 8.46 7.65 3hvnA1 ARG 69 HA 0.12 0.26 0.89 -0.75 4.34 4.86 3hvnA1 ARG 69 HB2 0.06 0.16 0.00 -0.04 1.90 2.08 3hvnA1 ARG 69 HB3 0.07 -0.12 -0.07 -0.04 1.80 1.64 3hvnA1 ARG 69 HG2 0.05 -0.07 -0.12 -0.04 1.67 1.48 3hvnA1 ARG 69 HG3 0.05 0.24 -0.27 -0.04 1.67 1.64 3hvnA1 ARG 69 HD2 0.03 0.03 -0.06 -0.04 3.22 3.18 3hvnA1 ARG 69 HD3 0.03 -0.08 -0.07 -0.04 3.22 3.06 3hvnA1 PHE 70 H 0.27 0.38 0.25 -0.55 8.34 8.69 3hvnA1 PHE 70 HA 0.10 0.30 1.19 -0.75 4.62 5.45 3hvnA1 PHE 70 HB2 0.12 -0.18 0.01 -0.04 3.15 3.06 3hvnA1 PHE 70 HB3 0.24 0.03 0.11 -0.04 3.06 3.41 3hvnA1 PHE 70 HD2 0.17 0.00 -0.08 -0.04 7.28 7.32 3hvnA1 PHE 70 HE2 0.24 -0.00 -0.16 -0.04 7.38 7.42 3hvnA1 PHE 70 HZ 0.31 -0.02 -0.08 -0.04 7.32 7.50 3hvnA1 VAL 71 H -0.29 0.60 0.24 -0.55 8.24 8.24 3hvnA1 VAL 71 HA -0.13 0.30 0.92 -0.75 4.13 4.47 3hvnA1 VAL 71 HB -0.15 -0.09 0.12 -0.04 2.12 1.96 3hvnA1 VAL 71 HG13 -0.10 0.01 -0.22 -0.04 0.97 0.62 3hvnA1 VAL 71 HG23 -0.04 -0.01 -0.17 -0.04 0.95 0.69 3hvnA1 VAL 72 H -0.10 0.75 0.39 -0.55 8.24 8.72 3hvnA1 VAL 72 HA -0.34 0.21 0.99 -0.75 4.13 4.24 3hvnA1 VAL 72 HB 0.09 -0.07 0.25 -0.04 2.12 2.34 3hvnA1 VAL 72 HG13 -0.17 0.01 -0.17 -0.04 0.97 0.60 3hvnA1 VAL 72 HG23 0.41 0.01 -0.07 -0.04 0.95 1.25 3hvnA1 LEU 73 H -0.25 0.68 0.33 -0.55 8.37 8.58 3hvnA1 LEU 73 HA -0.09 0.12 0.87 -0.75 4.35 4.49 3hvnA1 LEU 73 HB2 -0.10 -0.02 -0.03 -0.04 1.64 1.45 3hvnA1 LEU 73 HB3 -0.11 -0.08 0.18 -0.04 1.64 1.59 3hvnA1 LEU 73 HG -0.04 0.02 -0.16 -0.04 1.64 1.42 3hvnA1 LEU 73 HD13 -0.03 0.03 -0.05 -0.04 0.93 0.84 3hvnA1 LEU 73 HD23 -0.04 -0.00 -0.29 -0.04 0.89 0.51 3hvnA1 ARG 74 H -0.07 0.81 0.31 -0.55 8.46 8.97 3hvnA1 ARG 74 HA -0.10 0.09 1.01 -0.75 4.34 4.59 3hvnA1 ARG 74 HB2 -0.05 0.06 0.22 -0.04 1.90 2.08 3hvnA1 ARG 74 HB3 -0.06 -0.03 0.03 -0.04 1.80 1.70 3hvnA1 ARG 74 HG2 -0.16 0.04 -0.12 -0.04 1.67 1.39 3hvnA1 ARG 74 HG3 -0.13 -0.02 -0.36 -0.04 1.67 1.12 3hvnA1 ARG 74 HD2 -0.01 -0.02 -0.04 -0.04 3.22 3.10 3hvnA1 ARG 74 HD3 -0.03 -0.01 -0.03 -0.04 3.22 3.12 3hvnA1 ARG 75 H -0.05 0.26 0.08 -0.55 8.46 8.20 3hvnA1 ARG 75 HA -0.04 0.33 1.19 -0.75 4.34 5.08 3hvnA1 ARG 75 HB2 -0.01 -0.03 -0.15 -0.04 1.90 1.66 3hvnA1 ARG 75 HB3 -0.00 0.01 -0.07 -0.04 1.80 1.69 3hvnA1 ARG 75 HG2 -0.03 0.02 0.02 -0.04 1.67 1.65 3hvnA1 ARG 75 HG3 -0.03 -0.03 -0.02 -0.04 1.67 1.54 3hvnA1 ARG 75 HD2 -0.01 0.02 -0.01 -0.04 3.22 3.18 3hvnA1 ARG 75 HD3 0.01 -0.07 -0.05 -0.04 3.22 3.06 3hvnA1 GLU 76 H -0.10 0.61 0.31 -0.55 8.60 8.87 3hvnA1 GLU 76 HA -0.07 0.23 1.03 -0.75 4.29 4.73 3hvnA1 GLU 76 HB2 -0.08 -0.00 0.08 -0.04 2.09 2.05 3hvnA1 GLU 76 HB3 -0.07 0.01 -0.07 -0.04 1.99 1.82 3hvnA1 GLU 76 HG2 -0.11 0.05 0.06 -0.04 2.34 2.30 3hvnA1 GLU 76 HG3 -0.17 -0.08 -0.25 -0.04 2.34 1.80 3hvnA1 LYS 77 H -0.10 0.16 0.18 -0.55 8.42 8.11 3hvnA1 LYS 77 HA -0.19 0.21 0.83 -0.75 4.32 4.42 3hvnA1 LYS 77 HB2 -0.08 0.04 0.06 -0.04 1.87 1.85 3hvnA1 LYS 77 HB3 -0.08 -0.04 0.22 -0.04 1.79 1.85 3hvnA1 LYS 77 HG2 -0.09 -0.05 -0.24 -0.04 1.46 1.03 3hvnA1 LYS 77 HG3 -0.09 0.05 -0.06 -0.04 1.46 1.32 3hvnA1 LYS 77 HD2 -0.04 0.18 -0.04 -0.04 1.69 1.74 3hvnA1 LYS 77 HD3 -0.05 -0.03 0.03 -0.04 1.68 1.59 3hvnA1 LYS 77 HE2 -0.05 -0.03 -0.05 -0.04 2.99 2.82 3hvnA1 LYS 77 HE3 -0.04 -0.06 -0.07 -0.04 2.99 2.78 3hvnA1 LYS 78 H -0.49 0.63 0.43 -0.55 8.42 8.43 3hvnA1 LYS 78 HA -0.19 0.20 0.95 -0.75 4.32 4.53 3hvnA1 LYS 78 HB2 -0.99 -0.03 -0.01 -0.04 1.87 0.79 3hvnA1 LYS 78 HB3 -0.26 -0.01 0.08 -0.04 1.79 1.56 3hvnA1 LYS 78 HG2 -0.15 0.05 -0.03 -0.04 1.46 1.29 3hvnA1 LYS 78 HG3 -0.26 -0.02 -0.30 -0.04 1.46 0.85 3hvnA1 LYS 78 HD2 -0.18 -0.03 -0.05 -0.04 1.69 1.39 3hvnA1 LYS 78 HD3 -0.05 0.02 -0.01 -0.04 1.68 1.59 3hvnA1 LYS 78 HE2 -0.06 0.02 -0.02 -0.04 2.99 2.89 3hvnA1 LYS 78 HE3 -0.10 0.00 -0.05 -0.04 2.99 2.81 3hvnA1 ASN 79 H -0.05 0.24 0.18 -0.55 8.53 8.36 3hvnA1 ASN 79 HA 0.09 0.16 0.98 -0.75 4.76 5.24 3hvnA1 ASN 79 HB2 -0.01 0.01 -0.12 -0.04 2.88 2.72 3hvnA1 ASN 79 HB3 0.00 -0.01 0.04 -0.04 2.79 2.78 3hvnA1 ASN 79 HD21 0.01 -0.00 -0.21 -0.04 7.03 6.79 3hvnA1 ASN 79 HD22 0.01 -0.01 -0.15 -0.04 7.74 7.55 3hvnA1 ILE 80 H 0.17 0.79 0.26 -0.55 8.25 8.91 3hvnA1 ILE 80 HA 0.07 0.16 1.04 -0.75 4.18 4.70 3hvnA1 ILE 80 HB 0.03 -0.08 -0.03 -0.04 1.89 1.78 3hvnA1 ILE 80 HG12 -0.05 0.10 -0.22 -0.04 1.49 1.28 3hvnA1 ILE 80 HG13 -0.02 -0.02 0.07 -0.04 1.21 1.20 3hvnA1 ILE 80 HG23 -0.02 0.10 0.05 -0.04 0.93 1.02 3hvnA1 ILE 80 HD13 -0.15 0.02 -0.06 -0.04 0.88 0.65 3hvnA1 THR 81 H 0.00 0.23 0.20 -0.55 8.28 8.17 3hvnA1 THR 81 HA -0.00 0.31 1.10 -0.75 4.39 5.04 3hvnA1 THR 81 HB -0.00 -0.02 0.06 -0.04 4.32 4.32 3hvnA1 THR 81 HG23 -0.00 -0.01 -0.15 -0.04 1.22 1.01 3hvnA1 ASN 82 H -0.02 0.62 0.29 -0.55 8.53 8.88 3hvnA1 ASN 82 HA -0.04 0.06 0.80 -0.75 4.76 4.83 3hvnA1 ASN 82 HB2 -0.07 -0.04 -0.26 -0.04 2.88 2.48 3hvnA1 ASN 82 HB3 -0.05 0.05 0.13 -0.04 2.79 2.87 3hvnA1 ASN 82 HD21 -0.08 -0.06 -0.10 -0.04 7.03 6.75 3hvnA1 ASN 82 HD22 -0.08 0.25 -0.06 -0.04 7.74 7.81 3hvnA1 ASN 83 H -0.02 0.18 0.08 -0.55 8.53 8.22 3hvnA1 ASN 83 HA -0.01 0.41 1.09 -0.75 4.76 5.49 3hvnA1 ASN 83 HB2 -0.01 -0.09 -0.04 -0.04 2.88 2.71 3hvnA1 ASN 83 HB3 -0.01 -0.03 0.15 -0.04 2.79 2.86 3hvnA1 ASN 83 HD21 0.01 -0.00 -0.07 -0.04 7.03 6.93 3hvnA1 ASN 83 HD22 -0.00 -0.06 -0.05 -0.04 7.74 7.60 3hvnA1 SER 84 H -0.02 0.91 0.21 -0.55 8.46 9.01 3hvnA1 SER 84 HA -0.03 0.06 0.77 -0.75 4.49 4.54 3hvnA1 SER 84 HB2 -0.04 0.07 -0.21 -0.04 3.95 3.73 3hvnA1 SER 84 HB3 -0.05 0.12 -0.08 -0.04 3.93 3.88 3hvnA1 ALA 85 H -0.04 0.15 0.11 -0.55 8.40 8.07 3hvnA1 ALA 85 HA -0.07 0.33 0.92 -0.75 4.34 4.77 3hvnA1 ALA 85 HB3 -0.04 -0.02 -0.17 -0.04 1.41 1.14 3hvnA1 ASP 86 H -0.08 0.06 -0.17 -0.55 8.40 7.67 3hvnA1 ASP 86 HA -0.15 0.22 0.89 -0.75 4.63 4.84 3hvnA1 ASP 86 HB2 -0.07 -0.05 -0.01 -0.04 2.71 2.54 3hvnA1 ASP 86 HB3 -0.07 0.01 0.14 -0.04 2.70 2.74 3hvnA1 ILE 87 H -0.41 0.65 0.26 -0.55 8.25 8.20 3hvnA1 ILE 87 HA -0.14 0.16 0.69 -0.75 4.18 4.14 3hvnA1 ILE 87 HB -1.26 -0.07 0.10 -0.04 1.89 0.62 3hvnA1 ILE 87 HG12 -0.18 0.06 -0.12 -0.04 1.49 1.21 3hvnA1 ILE 87 HG13 -0.37 0.01 -0.10 -0.04 1.21 0.71 3hvnA1 ILE 87 HG23 -0.03 0.01 -0.17 -0.04 0.93 0.70 3hvnA1 ILE 87 HD13 -0.19 -0.01 -0.03 -0.04 0.88 0.61 3hvnA1 ALA 88 H 0.03 0.25 0.20 -0.55 8.40 8.34 3hvnA1 ALA 88 HA 0.10 0.01 0.88 -0.75 4.34 4.58 3hvnA1 ALA 88 HB3 0.22 0.02 0.14 -0.04 1.41 1.74 3hvnA1 VAL 89 H 0.23 0.28 -0.18 -0.55 8.24 8.02 3hvnA1 VAL 89 HA 0.17 0.08 0.34 -0.75 4.13 3.97 3hvnA1 VAL 89 HB 0.08 -0.04 -0.10 -0.04 2.12 2.01 3hvnA1 VAL 89 HG13 0.22 -0.01 -0.41 -0.04 0.97 0.72 3hvnA1 VAL 89 HG23 0.23 0.06 -0.31 -0.04 0.95 0.89 3hvnA1 ILE 90 H -0.03 0.08 -0.04 -0.55 8.25 7.71 3hvnA1 ILE 90 HA 0.03 0.23 0.77 -0.75 4.18 4.45 3hvnA1 ILE 90 HB -0.14 -0.07 0.07 -0.04 1.89 1.71 3hvnA1 ILE 90 HG12 -0.02 0.18 -0.71 -0.04 1.49 0.90 3hvnA1 ILE 90 HG13 -0.20 -0.18 -0.23 -0.04 1.21 0.56 3hvnA1 ILE 90 HG23 -0.38 -0.00 -0.20 -0.04 0.93 0.31 3hvnA1 ILE 90 HD13 -0.76 0.01 -0.10 -0.04 0.88 -0.01 3hvnA1 ASP 91 H -0.15 0.17 0.09 -0.55 8.40 7.96 3hvnA1 ASP 91 HA -0.19 0.13 0.70 -0.75 4.63 4.52 3hvnA1 ASP 91 HB2 -0.10 0.11 0.20 -0.04 2.71 2.88 3hvnA1 ASP 91 HB3 -0.08 -0.26 0.09 -0.04 2.70 2.41 3hvnA1 ALA 92 H -0.25 0.22 0.14 -0.55 8.40 7.97 3hvnA1 ALA 92 HA -0.10 0.14 0.33 -0.75 4.34 3.96 3hvnA1 ALA 92 HB3 -0.05 0.04 -0.00 -0.04 1.41 1.35 3hvnA1 LYS 93 H -0.07 -0.09 -0.37 -0.55 8.42 7.34 3hvnA1 LYS 93 HA -0.02 0.23 0.71 -0.75 4.32 4.48 3hvnA1 LYS 93 HB2 -0.03 -0.08 0.05 -0.04 1.87 1.77 3hvnA1 LYS 93 HB3 -0.02 0.03 0.01 -0.04 1.79 1.77 3hvnA1 LYS 93 HG2 -0.01 0.09 -0.00 -0.04 1.46 1.49 3hvnA1 LYS 93 HG3 -0.03 -0.05 0.01 -0.04 1.46 1.36 3hvnA1 LYS 93 HD2 -0.02 -0.03 0.01 -0.04 1.69 1.61 3hvnA1 LYS 93 HD3 -0.01 0.01 0.00 -0.04 1.68 1.64 3hvnA1 LYS 93 HE2 -0.01 0.04 -0.01 -0.04 2.99 2.97 3hvnA1 LYS 93 HE3 -0.01 -0.02 0.01 -0.04 2.99 2.94 3hvnA1 ALA 94 H -0.06 -0.05 -0.15 -0.55 8.40 7.59 3hvnA1 ALA 94 HA -0.03 0.12 0.50 -0.75 4.34 4.17 3hvnA1 ALA 94 HB3 -0.05 -0.01 0.16 -0.04 1.41 1.48 3hvnA1 ALA 95 H -0.03 0.27 -1.25 -0.55 8.40 6.85 3hvnA1 ALA 95 HA -0.06 0.10 0.74 -0.75 4.34 4.37 3hvnA1 ALA 95 HB3 -0.03 0.05 0.00 -0.04 1.41 1.39 3hvnA1 ASN 96 H -0.07 0.26 0.01 -0.55 8.53 8.18 3hvnA1 ASN 96 HA 0.03 0.19 0.73 -0.75 4.76 4.95 3hvnA1 ASN 96 HB2 -0.01 0.05 -0.08 -0.04 2.88 2.80 3hvnA1 ASN 96 HB3 -0.04 0.03 -0.03 -0.04 2.79 2.70 3hvnA1 ASN 96 HD21 0.02 -0.18 0.03 -0.04 7.03 6.86 3hvnA1 ASN 96 HD22 -0.00 0.28 -0.06 -0.04 7.74 7.93 3hvnA1 ILE 97 H -0.07 0.17 -0.40 -0.55 8.25 7.41 3hvnA1 ILE 97 HA -0.24 0.16 0.77 -0.75 4.18 4.11 3hvnA1 ILE 97 HB -0.32 0.00 -0.02 -0.04 1.89 1.51 3hvnA1 ILE 97 HG12 -2.27 0.03 -0.16 -0.04 1.49 -0.95 3hvnA1 ILE 97 HG13 -0.83 0.03 -0.19 -0.04 1.21 0.18 3hvnA1 ILE 97 HG23 -0.38 -0.01 -0.31 -0.04 0.93 0.19 3hvnA1 ILE 97 HD13 -0.30 -0.03 -0.27 -0.04 0.88 0.24 3hvnA1 TYR 98 H -0.29 0.27 0.11 -0.55 8.29 7.83 3hvnA1 TYR 98 HA 0.07 0.14 0.38 -0.75 4.56 4.39 3hvnA1 TYR 98 HB2 0.07 0.04 0.02 -0.04 3.06 3.15 3hvnA1 TYR 98 HB3 0.03 0.12 -0.16 -0.04 2.98 2.93 3hvnA1 TYR 98 HD2 0.01 0.15 -0.40 -0.04 7.15 6.87 3hvnA1 TYR 98 HE2 0.01 0.06 -0.23 -0.04 6.85 6.64 3hvnA1 PRO 99 HA 0.07 0.07 0.22 -0.51 4.44 4.28 3hvnA1 PRO 99 HB2 0.17 -0.00 -0.02 -0.04 2.28 2.39 3hvnA1 PRO 99 HB3 0.15 0.10 -0.11 -0.04 2.02 2.12 3hvnA1 PRO 99 HG2 0.25 0.04 0.03 -0.04 2.03 2.31 3hvnA1 PRO 99 HG3 0.29 0.04 0.05 -0.04 2.03 2.37 3hvnA1 PRO 99 HD2 0.32 0.10 0.10 -0.04 3.68 4.16 3hvnA1 PRO 99 HD3 0.34 0.15 0.11 -0.04 3.65 4.21 3hvnA1 GLY 100 H 0.04 0.69 0.25 -0.55 8.43 8.86 3hvnA1 GLY 100 HA2 0.09 0.06 0.30 -0.51 4.01 3.95 3hvnA1 GLY 100 HA3 0.06 0.04 0.45 -0.51 4.01 4.06 3hvnA1 ALA 101 H -0.35 0.45 -0.20 -0.55 8.40 7.75 3hvnA1 ALA 101 HA -0.58 -0.00 0.33 -0.75 4.34 3.33 3hvnA1 ALA 101 HB3 -1.06 -0.02 0.06 -0.04 1.41 0.35 3hvnA1 LEU 102 H -0.07 0.14 0.20 -0.55 8.37 8.09 3hvnA1 LEU 102 HA -0.02 0.16 0.87 -0.75 4.35 4.60 3hvnA1 LEU 102 HB2 -0.04 0.07 0.19 -0.04 1.64 1.81 3hvnA1 LEU 102 HB3 0.00 0.00 0.28 -0.04 1.64 1.89 3hvnA1 LEU 102 HG -0.10 0.01 0.00 -0.04 1.64 1.51 3hvnA1 LEU 102 HD13 -0.17 0.00 -0.01 -0.04 0.93 0.71 3hvnA1 LEU 102 HD23 0.05 0.02 -0.11 -0.04 0.89 0.81 3hvnA1 LEU 103 H -0.03 0.66 0.38 -0.55 8.37 8.84 3hvnA1 LEU 103 HA -0.02 0.22 1.05 -0.75 4.35 4.85 3hvnA1 LEU 103 HB2 -0.06 -0.04 -0.12 -0.04 1.64 1.39 3hvnA1 LEU 103 HB3 -0.04 -0.05 -0.04 -0.04 1.64 1.48 3hvnA1 LEU 103 HG -0.11 0.04 -0.37 -0.04 1.64 1.16 3hvnA1 LEU 103 HD13 -0.10 -0.02 -0.18 -0.04 0.93 0.60 3hvnA1 LEU 103 HD23 -0.08 0.05 -0.41 -0.04 0.89 0.40 3hvnA1 ARG 104 H -0.01 0.57 0.32 -0.55 8.46 8.80 3hvnA1 ARG 104 HA 0.01 0.11 0.66 -0.75 4.34 4.36 3hvnA1 ARG 104 HB2 -0.00 -0.19 0.09 -0.04 1.90 1.76 3hvnA1 ARG 104 HB3 0.01 0.06 0.00 -0.04 1.80 1.83 3hvnA1 ARG 104 HG2 0.03 0.04 -0.09 -0.04 1.67 1.60 3hvnA1 ARG 104 HG3 0.02 0.17 -0.06 -0.04 1.67 1.76 3hvnA1 ARG 104 HD2 0.01 -0.13 -0.02 -0.04 3.22 3.04 3hvnA1 ARG 104 HD3 0.02 0.04 0.01 -0.04 3.22 3.24 3hvnA1 ALA 105 H -0.03 0.53 0.13 -0.55 8.40 8.48 3hvnA1 ALA 105 HA -0.09 0.07 0.79 -0.75 4.34 4.36 3hvnA1 ALA 105 HB3 -0.10 0.01 0.02 -0.04 1.41 1.31 3hvnA1 ASP 106 H -0.02 0.14 0.06 -0.55 8.40 8.03 3hvnA1 ASP 106 HA 0.00 0.33 0.79 -0.75 4.63 4.99 3hvnA1 ASP 106 HB2 0.00 -0.10 0.19 -0.04 2.71 2.76 3hvnA1 ASP 106 HB3 -0.00 0.17 -0.17 -0.04 2.70 2.66 3hvnA1 GLN 107 H 0.01 0.22 0.16 -0.55 8.47 8.31 3hvnA1 GLN 107 HA 0.01 0.16 0.41 -0.75 4.36 4.18 3hvnA1 GLN 107 HB2 0.01 0.06 0.15 -0.04 2.15 2.33 3hvnA1 GLN 107 HB3 0.01 -0.02 0.09 -0.04 2.02 2.05 3hvnA1 GLN 107 HG2 0.01 0.01 -0.00 -0.04 2.40 2.37 3hvnA1 GLN 107 HG3 0.00 0.01 -0.13 -0.04 2.39 2.24 3hvnA1 GLN 107 HE21 0.01 0.05 -0.00 -0.04 6.97 6.99 3hvnA1 GLN 107 HE22 0.00 -0.01 -0.01 -0.04 7.69 7.64 3hvnA1 ASN 108 H 0.00 0.03 -0.33 -0.55 8.53 7.68 3hvnA1 ASN 108 HA 0.00 0.14 0.40 -0.75 4.76 4.55 3hvnA1 ASN 108 HB2 -0.00 -0.17 0.01 -0.04 2.88 2.68 3hvnA1 ASN 108 HB3 -0.00 0.35 -0.11 -0.04 2.79 2.99 3hvnA1 ASN 108 HD21 0.00 0.00 -0.02 -0.04 7.03 6.97 3hvnA1 ASN 108 HD22 0.00 -0.05 -0.03 -0.04 7.74 7.62 3hvnA1 LEU 109 H -0.00 0.02 -0.16 -0.55 8.37 7.69 3hvnA1 LEU 109 HA 0.02 0.02 0.34 -0.75 4.35 3.97 3hvnA1 LEU 109 HB2 -0.03 0.14 0.18 -0.04 1.64 1.90 3hvnA1 LEU 109 HB3 -0.03 -0.03 0.20 -0.04 1.64 1.74 3hvnA1 LEU 109 HG -0.03 0.06 -0.31 -0.04 1.64 1.32 3hvnA1 LEU 109 HD13 0.02 -0.01 -0.03 -0.04 0.93 0.86 3hvnA1 LEU 109 HD23 -0.14 0.01 -0.10 -0.04 0.89 0.61 3hvnA1 LEU 110 H 0.00 0.40 -0.35 -0.55 8.37 7.88 3hvnA1 LEU 110 HA 0.00 0.06 0.39 -0.75 4.35 4.06 3hvnA1 LEU 110 HB2 0.01 0.05 0.02 -0.04 1.64 1.67 3hvnA1 LEU 110 HB3 0.01 0.06 0.12 -0.04 1.64 1.79 3hvnA1 LEU 110 HG 0.01 -0.02 -0.16 -0.04 1.64 1.43 3hvnA1 LEU 110 HD13 0.01 -0.00 -0.09 -0.04 0.93 0.81 3hvnA1 LEU 110 HD23 0.02 0.05 -0.06 -0.04 0.89 0.86 3hvnA1 ASP 111 H 0.01 0.44 -0.26 -0.55 8.40 8.04 3hvnA1 ASP 111 HA 0.01 0.09 0.65 -0.75 4.63 4.63 3hvnA1 ASP 111 HB2 0.00 0.05 0.15 -0.04 2.71 2.87 3hvnA1 ASP 111 HB3 0.00 -0.04 0.20 -0.04 2.70 2.82 3hvnA1 ASN 112 H 0.03 0.35 -0.80 -0.55 8.53 7.56 3hvnA1 ASN 112 HA 0.10 0.05 0.22 -0.75 4.76 4.37 3hvnA1 ASN 112 HB2 0.05 -0.04 -0.17 -0.04 2.88 2.68 3hvnA1 ASN 112 HB3 0.03 0.08 -0.04 -0.04 2.79 2.83 3hvnA1 ASN 112 HD21 0.13 0.01 -0.12 -0.04 7.03 7.01 3hvnA1 ASN 112 HD22 0.06 -0.08 -0.06 -0.04 7.74 7.62 3hvnA1 ASN 113 H 0.02 0.53 -0.49 -0.55 8.53 8.03 3hvnA1 ASN 113 HA -0.00 0.16 0.70 -0.75 4.76 4.86 3hvnA1 ASN 113 HB2 -0.00 0.10 -0.13 -0.04 2.88 2.80 3hvnA1 ASN 113 HB3 -0.00 -0.10 0.10 -0.04 2.79 2.76 3hvnA1 ASN 113 HD21 -0.01 -0.05 0.01 -0.04 7.03 6.94 3hvnA1 ASN 113 HD22 -0.01 -0.03 0.02 -0.04 7.74 7.68 3hvnA1 PRO 114 HA -0.00 -0.15 -0.09 -0.51 4.44 3.69 3hvnA1 PRO 114 HB2 -0.03 0.05 -0.22 -0.04 2.28 2.04 3hvnA1 PRO 114 HB3 -0.01 0.04 0.00 -0.04 2.02 2.01 3hvnA1 PRO 114 HG2 -0.02 0.04 -0.14 -0.04 2.03 1.87 3hvnA1 PRO 114 HG3 0.05 0.06 -0.05 -0.04 2.03 2.06 3hvnA1 PRO 114 HD2 -0.03 0.08 -0.13 -0.04 3.68 3.56 3hvnA1 PRO 114 HD3 0.03 0.14 -0.70 -0.04 3.65 3.08 3hvnA1 THR 115 H -0.01 0.09 0.15 -0.55 8.28 7.97 3hvnA1 THR 115 HA 0.00 0.22 0.95 -0.75 4.39 4.81 3hvnA1 THR 115 HB 0.01 -0.09 0.13 -0.04 4.32 4.32 3hvnA1 THR 115 HG23 0.01 0.05 -0.07 -0.04 1.22 1.17 3hvnA1 LEU 116 H 0.02 0.16 0.14 -0.55 8.37 8.13 3hvnA1 LEU 116 HA 0.01 0.21 0.66 -0.75 4.35 4.48 3hvnA1 LEU 116 HB2 0.04 0.03 0.06 -0.04 1.64 1.73 3hvnA1 LEU 116 HB3 0.05 -0.05 0.07 -0.04 1.64 1.67 3hvnA1 LEU 116 HG 0.05 0.07 -0.02 -0.04 1.64 1.70 3hvnA1 LEU 116 HD13 0.25 -0.00 -0.04 -0.04 0.93 1.09 3hvnA1 LEU 116 HD23 0.10 -0.01 -0.29 -0.04 0.89 0.65 3hvnA1 ILE 117 H 0.03 0.82 0.31 -0.55 8.25 8.86 3hvnA1 ILE 117 HA 0.05 0.16 0.89 -0.75 4.18 4.53 3hvnA1 ILE 117 HB 0.07 0.00 0.12 -0.04 1.89 2.04 3hvnA1 ILE 117 HG12 0.05 0.10 -0.16 -0.04 1.49 1.45 3hvnA1 ILE 117 HG13 0.04 -0.01 -0.22 -0.04 1.21 0.98 3hvnA1 ILE 117 HG23 0.12 -0.02 -0.14 -0.04 0.93 0.85 3hvnA1 ILE 117 HD13 0.10 -0.02 -0.19 -0.04 0.88 0.72 3hvnA1 SER 118 H 0.05 0.23 -0.00 -0.55 8.46 8.20 3hvnA1 SER 118 HA 0.07 0.12 0.58 -0.75 4.49 4.50 3hvnA1 SER 118 HB2 0.04 -0.00 0.10 -0.04 3.95 4.05 3hvnA1 SER 118 HB3 0.05 -0.02 0.06 -0.04 3.93 3.98 3hvnA1 ILE 119 H 0.08 0.43 0.19 -0.55 8.25 8.41 3hvnA1 ILE 119 HA 0.07 0.15 0.87 -0.75 4.18 4.52 3hvnA1 ILE 119 HB 0.13 -0.03 -0.17 -0.04 1.89 1.78 3hvnA1 ILE 119 HG12 0.12 -0.16 0.13 -0.04 1.49 1.54 3hvnA1 ILE 119 HG13 0.08 0.01 0.08 -0.04 1.21 1.34 3hvnA1 ILE 119 HG23 0.25 0.07 -0.22 -0.04 0.93 0.99 3hvnA1 ILE 119 HD13 0.14 -0.01 -0.04 -0.04 0.88 0.92 3hvnA1 ALA 120 H 0.08 0.07 0.11 -0.55 8.40 8.11 3hvnA1 ALA 120 HA 0.06 -0.01 0.49 -0.75 4.34 4.12 3hvnA1 ALA 120 HB3 0.07 -0.01 0.12 -0.04 1.41 1.55 3hvnA1 ARG 121 H 0.05 0.03 0.29 -0.55 8.46 8.28 3hvnA1 ARG 121 HA 0.04 0.10 0.65 -0.75 4.34 4.37 3hvnA1 ARG 121 HB2 0.04 -0.12 0.07 -0.04 1.90 1.84 3hvnA1 ARG 121 HB3 0.02 0.06 0.07 -0.04 1.80 1.90 3hvnA1 ARG 121 HG2 0.06 0.14 0.17 -0.04 1.67 2.00 3hvnA1 ARG 121 HG3 0.07 0.09 0.08 -0.04 1.67 1.86 3hvnA1 ARG 121 HD2 0.04 -0.01 -0.17 -0.04 3.22 3.03 3hvnA1 ARG 121 HD3 0.03 -0.06 0.09 -0.04 3.22 3.23 3hvnA1 GLY 122 H -0.01 0.36 0.43 -0.55 8.43 8.66 3hvnA1 GLY 122 HA2 0.03 -0.05 0.75 -0.51 4.01 4.22 3hvnA1 GLY 122 HA3 0.01 0.14 0.30 -0.51 4.01 3.95 3hvnA1 ASP 123 H 0.01 0.01 0.22 -0.55 8.40 8.10 3hvnA1 ASP 123 HA 0.01 0.11 0.59 -0.75 4.63 4.59 3hvnA1 ASP 123 HB2 0.01 -0.03 0.15 -0.04 2.71 2.80 3hvnA1 ASP 123 HB3 0.01 0.01 0.01 -0.04 2.70 2.69 3hvnA1 LEU 124 H 0.01 0.44 0.43 -0.55 8.37 8.71 3hvnA1 LEU 124 HA -0.01 0.13 0.93 -0.75 4.35 4.65 3hvnA1 LEU 124 HB2 -0.01 -0.03 0.05 -0.04 1.64 1.61 3hvnA1 LEU 124 HB3 -0.05 0.12 0.02 -0.04 1.64 1.70 3hvnA1 LEU 124 HG -0.00 0.21 0.09 -0.04 1.64 1.89 3hvnA1 LEU 124 HD13 0.04 -0.05 -0.04 -0.04 0.93 0.84 3hvnA1 LEU 124 HD23 -0.04 -0.00 0.01 -0.04 0.89 0.82 3hvnA1 THR 125 H 0.01 0.19 0.21 -0.55 8.28 8.15 3hvnA1 THR 125 HA 0.04 0.16 1.01 -0.75 4.39 4.85 3hvnA1 THR 125 HB 0.03 -0.04 0.14 -0.04 4.32 4.40 3hvnA1 THR 125 HG23 0.06 0.02 -0.17 -0.04 1.22 1.10 3hvnA1 LEU 126 H 0.07 0.67 0.43 -0.55 8.37 9.00 3hvnA1 LEU 126 HA 0.09 0.26 1.15 -0.75 4.35 5.10 3hvnA1 LEU 126 HB2 0.07 -0.02 0.07 -0.04 1.64 1.72 3hvnA1 LEU 126 HB3 0.08 0.00 -0.01 -0.04 1.64 1.67 3hvnA1 LEU 126 HG 0.10 0.05 -0.10 -0.04 1.64 1.65 3hvnA1 LEU 126 HD13 0.07 0.05 -0.39 -0.04 0.93 0.62 3hvnA1 LEU 126 HD23 0.09 0.00 -0.09 -0.04 0.89 0.86 3hvnA1 SER 127 H 0.09 0.71 0.43 -0.55 8.46 9.15 3hvnA1 SER 127 HA 0.05 0.35 1.04 -0.75 4.49 5.18 3hvnA1 SER 127 HB2 -0.02 0.03 -0.12 -0.04 3.95 3.80 3hvnA1 SER 127 HB3 0.27 -0.01 -0.17 -0.04 3.93 3.97 3hvnA1 LEU 128 H -0.00 0.66 0.16 -0.55 8.37 8.64 3hvnA1 LEU 128 HA 0.00 0.17 1.01 -0.75 4.35 4.78 3hvnA1 LEU 128 HB2 -0.04 0.01 -0.03 -0.04 1.64 1.54 3hvnA1 LEU 128 HB3 0.06 -0.05 0.18 -0.04 1.64 1.79 3hvnA1 LEU 128 HG -0.61 -0.05 -0.24 -0.04 1.64 0.71 3hvnA1 LEU 128 HD13 -0.22 0.03 -0.08 -0.04 0.93 0.62 3hvnA1 LEU 128 HD23 -0.66 0.01 -0.10 -0.04 0.89 0.10 3hvnA1 ASN 129 H 0.02 0.75 0.33 -0.55 8.53 9.08 3hvnA1 ASN 129 HA -0.04 0.00 0.85 -0.75 4.76 4.82 3hvnA1 ASN 129 HB2 0.02 -0.04 0.02 -0.04 2.88 2.85 3hvnA1 ASN 129 HB3 0.02 0.12 0.15 -0.04 2.79 3.04 3hvnA1 ASN 129 HD21 0.00 0.04 -0.14 -0.04 7.03 6.90 3hvnA1 ASN 129 HD22 0.01 -0.04 -0.12 -0.04 7.74 7.56 3hvnA1 LEU 130 H -0.08 0.12 0.21 -0.55 8.37 8.07 3hvnA1 LEU 130 HA -0.07 0.28 0.98 -0.75 4.35 4.78 3hvnA1 LEU 130 HB2 -0.20 -0.11 0.08 -0.04 1.64 1.36 3hvnA1 LEU 130 HB3 -0.13 0.04 0.06 -0.04 1.64 1.58 3hvnA1 LEU 130 HG -0.35 0.12 -0.01 -0.04 1.64 1.36 3hvnA1 LEU 130 HD13 -1.08 -0.07 -0.30 -0.04 0.93 -0.55 3hvnA1 LEU 130 HD23 -0.58 0.01 -0.03 -0.04 0.89 0.26 3hvnA1 PRO 131 HA -0.01 0.04 0.30 -0.51 4.44 4.26 3hvnA1 PRO 131 HB2 0.01 0.11 0.07 -0.04 2.28 2.43 3hvnA1 PRO 131 HB3 -0.01 -0.04 0.16 -0.04 2.02 2.08 3hvnA1 PRO 131 HG2 0.03 -0.12 0.06 -0.04 2.03 1.96 3hvnA1 PRO 131 HG3 0.04 0.13 0.14 -0.04 2.03 2.30 3hvnA1 PRO 131 HD2 -0.02 0.13 0.31 -0.04 3.68 4.06 3hvnA1 PRO 131 HD3 0.01 0.18 0.07 -0.04 3.65 3.87 3hvnA1 GLY 132 H 0.02 0.15 -0.11 -0.55 8.43 7.93 3hvnA1 GLY 132 HA2 0.01 0.24 0.82 -0.51 4.01 4.57 3hvnA1 GLY 132 HA3 0.02 0.03 0.34 -0.51 4.01 3.89 3hvnA1 LEU 133 H 0.00 0.25 -0.29 -0.55 8.37 7.79 3hvnA1 LEU 133 HA 0.03 0.19 0.67 -0.75 4.35 4.48 3hvnA1 LEU 133 HB2 -0.02 -0.04 0.06 -0.04 1.64 1.60 3hvnA1 LEU 133 HB3 0.10 -0.00 0.14 -0.04 1.64 1.84 3hvnA1 LEU 133 HG -0.12 0.04 -0.03 -0.04 1.64 1.48 3hvnA1 LEU 133 HD13 -0.13 0.02 -0.06 -0.04 0.93 0.72 3hvnA1 LEU 133 HD23 0.02 -0.01 -0.22 -0.04 0.89 0.64 3hvnA1 ALA 134 H 0.03 0.27 -0.54 -0.55 8.40 7.61 3hvnA1 ALA 134 HA 0.03 0.04 0.24 -0.75 4.34 3.90 3hvnA1 ALA 134 HB3 0.03 0.04 -0.02 -0.04 1.41 1.42 3hvnA1 ASN 135 H 0.03 0.12 0.10 -0.55 8.53 8.22 3hvnA1 ASN 135 HA 0.05 0.15 0.86 -0.75 4.76 5.07 3hvnA1 ASN 135 HB2 0.02 -0.01 0.21 -0.04 2.88 3.05 3hvnA1 ASN 135 HB3 0.04 0.05 0.09 -0.04 2.79 2.92 3hvnA1 ASN 135 HD21 0.02 -0.01 -0.03 -0.04 7.03 6.97 3hvnA1 ASN 135 HD22 0.02 0.01 0.01 -0.04 7.74 7.74 3hvnA1 GLY 136 H 0.11 0.19 -0.19 -0.55 8.43 8.00 3hvnA1 GLY 136 HA2 0.10 0.15 0.76 -0.51 4.01 4.51 3hvnA1 GLY 136 HA3 0.52 -0.03 0.36 -0.51 4.01 4.35 3hvnA1 ASP 137 H 0.17 0.07 0.17 -0.55 8.40 8.27 3hvnA1 ASP 137 HA 0.00 0.16 0.28 -0.75 4.63 4.32 3hvnA1 ASP 137 HB2 0.04 -0.05 -0.09 -0.04 2.71 2.57 3hvnA1 ASP 137 HB3 0.02 0.11 -0.17 -0.04 2.70 2.62 3hvnA1 SER 138 H 0.41 0.10 -0.05 -0.55 8.46 8.38 3hvnA1 SER 138 HA -0.06 0.11 0.48 -0.75 4.49 4.26 3hvnA1 SER 138 HB2 0.21 0.02 0.05 -0.04 3.95 4.19 3hvnA1 SER 138 HB3 0.53 -0.08 0.09 -0.04 3.93 4.42 3hvnA1 HIS 139 H 0.04 0.15 0.26 -0.55 8.41 8.32 3hvnA1 HIS 139 HA 0.07 0.26 1.09 -0.75 4.63 5.30 3hvnA1 HIS 139 HB2 0.03 -0.06 0.07 -0.04 3.26 3.27 3hvnA1 HIS 139 HB3 0.04 -0.01 0.04 -0.04 3.20 3.22 3hvnA1 HIS 139 HD2 0.03 -0.07 0.08 -0.04 6.97 6.97 3hvnA1 HIS 139 HE1 0.05 -0.08 -0.07 -0.04 7.75 7.60 3hvnA1 THR 140 H 0.13 0.78 0.39 -0.55 8.28 9.03 3hvnA1 THR 140 HA 0.07 0.07 0.67 -0.75 4.39 4.45 3hvnA1 THR 140 HB 0.05 0.06 -0.01 -0.04 4.32 4.38 3hvnA1 THR 140 HG23 0.05 0.03 -0.06 -0.04 1.22 1.19 3hvnA1 VAL 141 H 0.04 0.13 0.17 -0.55 8.24 8.03 3hvnA1 VAL 141 HA 0.04 0.11 0.74 -0.75 4.13 4.26 3hvnA1 VAL 141 HB 0.02 -0.01 0.05 -0.04 2.12 2.13 3hvnA1 VAL 141 HG13 0.02 0.00 -0.15 -0.04 0.97 0.80 3hvnA1 VAL 141 HG23 0.02 0.00 -0.03 -0.04 0.95 0.91 3hvnA1 VAL 142 H 0.03 0.44 0.20 -0.55 8.24 8.35 3hvnA1 VAL 142 HA 0.03 0.11 0.98 -0.75 4.13 4.50 3hvnA1 VAL 142 HB 0.04 0.27 0.22 -0.04 2.12 2.61 3hvnA1 VAL 142 HG13 0.04 -0.02 -0.23 -0.04 0.97 0.71 3hvnA1 VAL 142 HG23 0.05 -0.01 -0.20 -0.04 0.95 0.74 3hvnA1 ASN 143 H 0.02 0.16 0.09 -0.55 8.53 8.24 3hvnA1 ASN 143 HA 0.02 0.11 0.82 -0.75 4.76 4.95 3hvnA1 ASN 143 HB2 0.01 0.01 0.06 -0.04 2.88 2.92 3hvnA1 ASN 143 HB3 0.01 -0.00 0.02 -0.04 2.79 2.78 3hvnA1 ASN 143 HD21 0.01 -0.00 -0.02 -0.04 7.03 6.97 3hvnA1 ASN 143 HD22 0.01 0.00 -0.02 -0.04 7.74 7.69 3hvnA1 SER 144 H 0.02 0.12 0.11 -0.55 8.46 8.16 3hvnA1 SER 144 HA 0.03 0.21 0.33 -0.75 4.49 4.31 3hvnA1 SER 144 HB2 0.02 -0.01 -0.07 -0.04 3.95 3.85 3hvnA1 SER 144 HB3 0.02 0.00 0.15 -0.04 3.93 4.06 3hvnA1 PRO 145 HA 0.05 -0.08 0.19 -0.51 4.44 4.10 3hvnA1 PRO 145 HB2 0.06 0.02 -0.01 -0.04 2.28 2.31 3hvnA1 PRO 145 HB3 0.08 0.03 -0.02 -0.04 2.02 2.06 3hvnA1 PRO 145 HG2 0.01 0.34 -0.06 -0.04 2.03 2.28 3hvnA1 PRO 145 HG3 0.03 -0.02 -0.06 -0.04 2.03 1.93 3hvnA1 PRO 145 HD2 0.03 0.10 -0.34 -0.04 3.68 3.42 3hvnA1 PRO 145 HD3 0.02 -0.06 -0.38 -0.04 3.65 3.19 3hvnA1 THR 146 H 0.04 0.15 0.23 -0.55 8.28 8.16 3hvnA1 THR 146 HA 0.05 0.15 0.39 -0.75 4.39 4.23 3hvnA1 THR 146 HB 0.01 0.33 0.05 -0.04 4.32 4.68 3hvnA1 THR 146 HG23 -0.02 -0.04 -0.04 -0.04 1.22 1.07 3hvnA1 ARG 147 H -0.40 0.23 0.11 -0.55 8.46 7.85 3hvnA1 ARG 147 HA -0.66 0.10 0.32 -0.75 4.34 3.35 3hvnA1 ARG 147 HB2 -0.23 -0.04 0.12 -0.04 1.90 1.70 3hvnA1 ARG 147 HB3 -0.25 0.08 0.00 -0.04 1.80 1.59 3hvnA1 ARG 147 HG2 -0.96 0.05 -0.04 -0.04 1.67 0.68 3hvnA1 ARG 147 HG3 -0.66 -0.03 0.05 -0.04 1.67 0.99 3hvnA1 ARG 147 HD2 -0.12 0.05 -0.02 -0.04 3.22 3.09 3hvnA1 ARG 147 HD3 -0.06 0.06 -0.05 -0.04 3.22 3.13 3hvnA1 SER 148 H -0.12 0.08 -0.20 -0.55 8.46 7.68 3hvnA1 SER 148 HA -0.06 0.11 0.40 -0.75 4.49 4.19 3hvnA1 SER 148 HB2 -0.05 0.02 0.08 -0.04 3.95 3.96 3hvnA1 SER 148 HB3 -0.04 -0.02 0.08 -0.04 3.93 3.91 3hvnA1 THR 149 H -0.04 0.10 -0.11 -0.55 8.28 7.69 3hvnA1 THR 149 HA -0.01 0.04 0.39 -0.75 4.39 4.06 3hvnA1 THR 149 HB 0.01 -0.13 0.12 -0.04 4.32 4.29 3hvnA1 THR 149 HG23 0.02 0.09 -0.04 -0.04 1.22 1.25 3hvnA1 VAL 150 H -0.01 0.63 -0.01 -0.55 8.24 8.30 3hvnA1 VAL 150 HA 0.05 0.01 0.41 -0.75 4.13 3.84 3hvnA1 VAL 150 HB 0.01 0.05 0.04 -0.04 2.12 2.19 3hvnA1 VAL 150 HG13 0.15 -0.00 -0.13 -0.04 0.97 0.94 3hvnA1 VAL 150 HG23 0.18 0.02 -0.03 -0.04 0.95 1.08 3hvnA1 ARG 151 H -0.04 0.65 -0.14 -0.55 8.46 8.38 3hvnA1 ARG 151 HA -0.02 -0.02 0.42 -0.75 4.34 3.97 3hvnA1 ARG 151 HB2 -0.03 -0.02 0.15 -0.04 1.90 1.95 3hvnA1 ARG 151 HB3 -0.04 0.13 0.29 -0.04 1.80 2.13 3hvnA1 ARG 151 HG2 -0.02 -0.00 -0.34 -0.04 1.67 1.27 3hvnA1 ARG 151 HG3 -0.02 -0.04 0.01 -0.04 1.67 1.58 3hvnA1 ARG 151 HD2 -0.03 -0.04 -0.00 -0.04 3.22 3.11 3hvnA1 ARG 151 HD3 -0.02 -0.03 -0.03 -0.04 3.22 3.09 3hvnA1 THR 152 H -0.01 0.52 -0.24 -0.55 8.28 8.00 3hvnA1 THR 152 HA -0.01 0.00 0.46 -0.75 4.39 4.09 3hvnA1 THR 152 HB -0.00 0.16 0.23 -0.04 4.32 4.67 3hvnA1 THR 152 HG23 -0.00 -0.03 -0.06 -0.04 1.22 1.09 3hvnA1 GLY 153 H 0.01 0.67 0.07 -0.55 8.43 8.63 3hvnA1 GLY 153 HA2 0.02 -0.01 0.47 -0.51 4.01 3.98 3hvnA1 GLY 153 HA3 0.02 0.06 0.32 -0.51 4.01 3.91 3hvnA1 VAL 154 H 0.00 0.77 0.03 -0.55 8.24 8.50 3hvnA1 VAL 154 HA -0.04 -0.05 0.38 -0.75 4.13 3.67 3hvnA1 VAL 154 HB -0.05 0.14 0.10 -0.04 2.12 2.27 3hvnA1 VAL 154 HG13 -0.19 -0.02 -0.03 -0.04 0.97 0.69 3hvnA1 VAL 154 HG23 0.00 0.04 0.02 -0.04 0.95 0.96 3hvnA1 ASN 155 H -0.02 0.41 -0.53 -0.55 8.53 7.84 3hvnA1 ASN 155 HA -0.04 0.01 0.49 -0.75 4.76 4.47 3hvnA1 ASN 155 HB2 -0.01 0.13 0.32 -0.04 2.88 3.28 3hvnA1 ASN 155 HB3 -0.01 -0.10 0.02 -0.04 2.79 2.65 3hvnA1 ASN 155 HD21 -0.02 -0.06 -0.05 -0.04 7.03 6.86 3hvnA1 ASN 155 HD22 -0.01 -0.06 -0.02 -0.04 7.74 7.60 3hvnA1 ASN 156 H 0.00 0.69 0.11 -0.55 8.53 8.78 3hvnA1 ASN 156 HA 0.01 -0.00 0.51 -0.75 4.76 4.52 3hvnA1 ASN 156 HB2 0.01 -0.06 0.10 -0.04 2.88 2.89 3hvnA1 ASN 156 HB3 0.01 -0.01 0.14 -0.04 2.79 2.89 3hvnA1 ASN 156 HD21 0.02 -0.08 0.09 -0.04 7.03 7.01 3hvnA1 ASN 156 HD22 0.01 -0.03 -0.01 -0.04 7.74 7.67 3hvnA1 LEU 157 H 0.03 0.66 -0.22 -0.55 8.37 8.29 3hvnA1 LEU 157 HA 0.16 0.02 0.47 -0.75 4.35 4.25 3hvnA1 LEU 157 HB2 -0.00 0.09 0.20 -0.04 1.64 1.89 3hvnA1 LEU 157 HB3 0.15 -0.06 -0.03 -0.04 1.64 1.66 3hvnA1 LEU 157 HG 0.05 0.21 -0.12 -0.04 1.64 1.74 3hvnA1 LEU 157 HD13 0.04 -0.03 -0.24 -0.04 0.93 0.66 3hvnA1 LEU 157 HD23 0.13 -0.02 -0.24 -0.04 0.89 0.72 3hvnA1 LEU 158 H -0.04 0.76 0.14 -0.55 8.37 8.67 3hvnA1 LEU 158 HA -0.02 -0.04 0.37 -0.75 4.35 3.90 3hvnA1 LEU 158 HB2 -0.10 0.10 0.20 -0.04 1.64 1.80 3hvnA1 LEU 158 HB3 -0.13 0.04 0.10 -0.04 1.64 1.61 3hvnA1 LEU 158 HG -0.38 0.02 0.16 -0.04 1.64 1.40 3hvnA1 LEU 158 HD13 -0.31 0.05 0.06 -0.04 0.93 0.69 3hvnA1 LEU 158 HD23 -0.83 -0.02 0.01 -0.04 0.89 0.01 3hvnA1 SER 159 H 0.03 0.57 -0.42 -0.55 8.46 8.10 3hvnA1 SER 159 HA 0.03 -0.00 0.52 -0.75 4.49 4.28 3hvnA1 SER 159 HB2 0.01 -0.10 0.05 -0.04 3.95 3.87 3hvnA1 SER 159 HB3 0.00 0.12 0.13 -0.04 3.93 4.14 3hvnA1 LYS 160 H 0.06 0.65 -0.06 -0.55 8.42 8.51 3hvnA1 LYS 160 HA -0.03 -0.03 0.51 -0.75 4.32 4.01 3hvnA1 LYS 160 HB2 -0.03 0.06 0.22 -0.04 1.87 2.08 3hvnA1 LYS 160 HB3 -0.06 0.10 0.22 -0.04 1.79 2.00 3hvnA1 LYS 160 HG2 -0.29 -0.03 -0.02 -0.04 1.46 1.08 3hvnA1 LYS 160 HG3 -0.12 -0.06 0.11 -0.04 1.46 1.36 3hvnA1 LYS 160 HD2 -0.08 -0.01 0.04 -0.04 1.69 1.60 3hvnA1 LYS 160 HD3 -0.17 -0.00 0.01 -0.04 1.68 1.48 3hvnA1 LYS 160 HE2 -0.23 -0.01 0.01 -0.04 2.99 2.72 3hvnA1 LYS 160 HE3 -0.12 -0.03 0.03 -0.04 2.99 2.84 3hvnA1 TRP 161 H 0.29 0.41 -0.42 -0.55 7.97 7.69 3hvnA1 TRP 161 HA 0.01 0.03 0.62 -0.75 4.62 4.53 3hvnA1 TRP 161 HB2 -0.05 0.11 0.13 -0.04 3.23 3.38 3hvnA1 TRP 161 HB3 0.04 -0.04 -0.06 -0.04 3.23 3.13 3hvnA1 TRP 161 HD1 -0.09 0.37 -0.40 -0.04 7.22 7.06 3hvnA1 TRP 161 HE1 -0.09 -0.07 -0.04 -0.04 10.20 9.97 3hvnA1 TRP 161 HE3 -0.19 0.01 -0.03 -0.04 7.59 7.34 3hvnA1 TRP 161 HZ2 -0.10 -0.25 -0.03 -0.04 7.44 7.02 3hvnA1 TRP 161 HZ3 -0.31 -0.01 -0.01 -0.04 7.13 6.76 3hvnA1 TRP 161 HH2 -0.12 -0.12 0.07 -0.04 7.19 6.98 3hvnA1 ASN 162 H 0.18 0.74 0.11 -0.55 8.53 9.02 3hvnA1 ASN 162 HA 0.13 0.07 0.40 -0.75 4.76 4.62 3hvnA1 ASN 162 HB2 0.04 0.07 0.12 -0.04 2.88 3.06 3hvnA1 ASN 162 HB3 0.02 -0.10 0.04 -0.04 2.79 2.71 3hvnA1 ASN 162 HD21 -0.07 -0.02 -0.19 -0.04 7.03 6.72 3hvnA1 ASN 162 HD22 -0.04 -0.05 0.01 -0.04 7.74 7.61 3hvnA1 ASN 163 H 0.06 0.44 -0.34 -0.55 8.53 8.14 3hvnA1 ASN 163 HA 0.02 -0.03 0.32 -0.75 4.76 4.31 3hvnA1 ASN 163 HB2 0.01 0.24 0.15 -0.04 2.88 3.23 3hvnA1 ASN 163 HB3 -0.01 0.02 0.05 -0.04 2.79 2.81 3hvnA1 ASN 163 HD21 -0.01 -0.07 -0.02 -0.04 7.03 6.89 3hvnA1 ASN 163 HD22 -0.02 0.02 -0.01 -0.04 7.74 7.69 3hvnA1 THR 164 H 0.05 0.12 -0.40 -0.55 8.28 7.50 3hvnA1 THR 164 HA 0.02 0.18 0.94 -0.75 4.39 4.77 3hvnA1 THR 164 HB -0.00 0.01 0.06 -0.04 4.32 4.35 3hvnA1 THR 164 HG23 0.01 -0.03 -0.11 -0.04 1.22 1.05 3hvnA1 TYR 165 H 0.16 0.23 0.13 -0.55 8.29 8.26 3hvnA1 TYR 165 HA 0.03 -0.05 0.40 -0.75 4.56 4.19 3hvnA1 TYR 165 HB2 0.05 -0.05 0.13 -0.04 3.06 3.15 3hvnA1 TYR 165 HB3 0.15 0.42 0.18 -0.04 2.98 3.69 3hvnA1 TYR 165 HD2 0.16 -0.00 -0.10 -0.04 7.15 7.16 3hvnA1 TYR 165 HE2 0.09 0.00 -0.10 -0.04 6.85 6.81 3hvnA1 ALA 166 H -0.26 0.09 0.12 -0.55 8.40 7.81 3hvnA1 ALA 166 HA -0.21 0.13 0.59 -0.75 4.34 4.09 3hvnA1 ALA 166 HB3 -0.15 0.00 0.18 -0.04 1.41 1.40 3hvnA1 GLY 167 H -0.33 0.54 -0.12 -0.55 8.43 7.97 3hvnA1 GLY 167 HA2 -0.20 0.32 0.68 -0.51 4.01 4.29 3hvnA1 GLY 167 HA3 -0.18 -0.05 0.18 -0.51 4.01 3.45 3hvnA1 GLU 168 H -0.08 0.10 -0.02 -0.55 8.60 8.05 3hvnA1 GLU 168 HA -0.08 0.07 0.57 -0.75 4.29 4.10 3hvnA1 GLU 168 HB2 -0.02 -0.02 0.06 -0.04 2.09 2.06 3hvnA1 GLU 168 HB3 -0.01 0.11 0.12 -0.04 1.99 2.17 3hvnA1 GLU 168 HG2 -0.00 0.06 0.10 -0.04 2.34 2.45 3hvnA1 GLU 168 HG3 0.10 -0.47 0.17 -0.04 2.34 2.10 3hvnA1 TYR 169 H 0.13 0.12 0.01 -0.55 8.29 8.00 3hvnA1 TYR 169 HA -0.09 0.04 0.82 -0.75 4.56 4.58 3hvnA1 TYR 169 HB2 -0.08 -0.08 0.18 -0.04 3.06 3.04 3hvnA1 TYR 169 HB3 -0.09 0.14 0.09 -0.04 2.98 3.07 3hvnA1 TYR 169 HD2 -0.09 0.21 -0.00 -0.04 7.15 7.22 3hvnA1 TYR 169 HE2 -0.06 0.01 -0.03 -0.04 6.85 6.72 3hvnA1 GLY 170 H -0.09 0.16 -0.32 -0.55 8.43 7.63 3hvnA1 GLY 170 HA2 0.09 0.01 0.13 -0.51 4.01 3.73 3hvnA1 GLY 170 HA3 0.08 0.20 0.57 -0.51 4.01 4.35 3hvnA1 ASN 171 H 0.16 0.17 -0.15 -0.55 8.53 8.16 3hvnA1 ASN 171 HA 0.11 0.16 0.60 -0.75 4.76 4.88 3hvnA1 ASN 171 HB2 0.19 -0.05 0.01 -0.04 2.88 3.00 3hvnA1 ASN 171 HB3 0.17 0.16 -0.14 -0.04 2.79 2.93 3hvnA1 ASN 171 HD21 0.19 0.08 0.16 -0.04 7.03 7.43 3hvnA1 ASN 171 HD22 0.12 -0.08 0.05 -0.04 7.74 7.78 3hvnA1 THR 172 H 0.08 0.19 -0.03 -0.55 8.28 7.97 3hvnA1 THR 172 HA 0.07 0.03 0.33 -0.75 4.39 4.07 3hvnA1 THR 172 HB 0.08 -0.02 0.09 -0.04 4.32 4.43 3hvnA1 THR 172 HG23 0.05 0.02 0.01 -0.04 1.22 1.26 3hvnA1 GLN 173 H 0.06 0.14 0.16 -0.55 8.47 8.28 3hvnA1 GLN 173 HA 0.05 0.15 0.91 -0.75 4.36 4.71 3hvnA1 GLN 173 HB2 0.03 -0.03 -0.07 -0.04 2.15 2.04 3hvnA1 GLN 173 HB3 0.03 -0.06 0.17 -0.04 2.02 2.12 3hvnA1 GLN 173 HG2 0.00 0.14 -0.10 -0.04 2.40 2.41 3hvnA1 GLN 173 HG3 0.02 0.02 0.02 -0.04 2.39 2.42 3hvnA1 GLN 173 HE21 0.01 -0.04 0.01 -0.04 6.97 6.91 3hvnA1 GLN 173 HE22 0.01 0.04 0.01 -0.04 7.69 7.71 3hvnA1 ALA 174 H 0.04 0.09 -0.06 -0.55 8.40 7.92 3hvnA1 ALA 174 HA -0.00 0.03 0.49 -0.75 4.34 4.10 3hvnA1 ALA 174 HB3 -0.16 0.08 -0.12 -0.04 1.41 1.17 3hvnA1 GLU 175 H -0.08 0.39 0.24 -0.55 8.60 8.60 3hvnA1 GLU 175 HA -0.07 0.06 0.41 -0.75 4.29 3.94 3hvnA1 GLU 175 HB2 -0.09 -0.01 0.15 -0.04 2.09 2.10 3hvnA1 GLU 175 HB3 -0.08 -0.02 -0.08 -0.04 1.99 1.77 3hvnA1 GLU 175 HG2 -0.03 -0.03 0.05 -0.04 2.34 2.29 3hvnA1 GLU 175 HG3 -0.04 -0.01 -0.03 -0.04 2.34 2.22 3hvnA1 LEU 176 H -0.09 0.16 0.21 -0.55 8.37 8.10 3hvnA1 LEU 176 HA -0.33 0.28 0.76 -0.75 4.35 4.30 3hvnA1 LEU 176 HB2 -0.06 -0.07 0.21 -0.04 1.64 1.67 3hvnA1 LEU 176 HB3 -0.16 -0.01 0.01 -0.04 1.64 1.45 3hvnA1 LEU 176 HG -0.05 0.15 0.07 -0.04 1.64 1.76 3hvnA1 LEU 176 HD13 0.07 -0.02 0.00 -0.04 0.93 0.94 3hvnA1 LEU 176 HD23 -0.06 -0.01 -0.12 -0.04 0.89 0.66 3hvnA1 GLN 177 H -0.31 0.59 0.18 -0.55 8.47 8.39 3hvnA1 GLN 177 HA -0.08 0.13 0.88 -0.75 4.36 4.53 3hvnA1 GLN 177 HB2 -0.14 -0.01 -0.06 -0.04 2.15 1.91 3hvnA1 GLN 177 HB3 -0.17 -0.08 0.18 -0.04 2.02 1.91 3hvnA1 GLN 177 HG2 -0.08 0.03 -0.15 -0.04 2.40 2.16 3hvnA1 GLN 177 HG3 -0.07 0.02 -0.03 -0.04 2.39 2.27 3hvnA1 GLN 177 HE21 -0.05 -0.02 -0.09 -0.04 6.97 6.77 3hvnA1 GLN 177 HE22 -0.05 0.04 -0.07 -0.04 7.69 7.57 3hvnA1 TYR 178 H 0.07 0.22 0.07 -0.55 8.29 8.10 3hvnA1 TYR 178 HA -0.05 0.19 0.77 -0.75 4.56 4.72 3hvnA1 TYR 178 HB2 0.02 0.03 -0.05 -0.04 3.06 3.02 3hvnA1 TYR 178 HB3 -0.00 -0.01 0.14 -0.04 2.98 3.07 3hvnA1 TYR 178 HD2 0.17 0.03 -0.12 -0.04 7.15 7.19 3hvnA1 TYR 178 HE2 0.07 -0.02 -0.10 -0.04 6.85 6.75 3hvnA1 ASP 179 H -0.30 0.60 0.20 -0.55 8.40 8.35 3hvnA1 ASP 179 HA -0.12 0.17 1.03 -0.75 4.63 4.95 3hvnA1 ASP 179 HB2 0.02 -0.06 0.28 -0.04 2.71 2.92 3hvnA1 ASP 179 HB3 -0.12 0.06 0.10 -0.04 2.70 2.70 3hvnA1 GLU 180 H -0.18 0.15 0.06 -0.55 8.60 8.08 3hvnA1 GLU 180 HA -0.11 0.25 0.88 -0.75 4.29 4.55 3hvnA1 GLU 180 HB2 0.07 -0.05 0.00 -0.04 2.09 2.07 3hvnA1 GLU 180 HB3 -0.23 -0.01 -0.03 -0.04 1.99 1.68 3hvnA1 GLU 180 HG2 0.38 -0.03 -0.05 -0.04 2.34 2.60 3hvnA1 GLU 180 HG3 0.14 0.03 0.06 -0.04 2.34 2.53 3hvnA1 THR 181 H 0.05 0.45 0.25 -0.55 8.28 8.47 3hvnA1 THR 181 HA 0.04 -0.04 0.35 -0.75 4.39 3.99 3hvnA1 THR 181 HB -0.09 0.26 0.15 -0.04 4.32 4.60 3hvnA1 THR 181 HG23 0.04 -0.01 -0.14 -0.04 1.22 1.06 3hvnA1 MET 182 H 0.10 0.11 0.13 -0.55 8.47 8.26 3hvnA1 MET 182 HA -0.01 0.04 0.71 -0.75 4.52 4.50 3hvnA1 MET 182 HB2 0.31 -0.01 0.07 -0.04 2.15 2.48 3hvnA1 MET 182 HB3 -0.17 0.13 0.04 -0.04 2.03 1.98 3hvnA1 MET 182 HG2 0.15 -0.05 0.06 -0.04 2.63 2.75 3hvnA1 MET 182 HG3 0.18 0.01 0.00 -0.04 2.56 2.72 3hvnA1 MET 182 HE3 0.11 0.08 -0.21 -0.04 2.10 2.04 3hvnA1 ALA 183 H -0.20 0.75 0.43 -0.55 8.40 8.83 3hvnA1 ALA 183 HA -0.05 0.03 0.57 -0.75 4.34 4.14 3hvnA1 ALA 183 HB3 -0.18 -0.01 -0.04 -0.04 1.41 1.13 3hvnA1 TYR 184 H 0.17 -0.08 0.18 -0.55 8.29 8.01 3hvnA1 TYR 184 HA 0.20 0.21 0.80 -0.75 4.56 5.02 3hvnA1 TYR 184 HB2 0.11 -0.08 -0.03 -0.04 3.06 3.02 3hvnA1 TYR 184 HB3 0.29 0.25 0.06 -0.04 2.98 3.54 3hvnA1 TYR 184 HD2 0.08 0.07 -0.02 -0.04 7.15 7.23 3hvnA1 TYR 184 HE2 0.09 0.08 -0.02 -0.04 6.85 6.96 3hvnA1 SER 185 H 0.23 0.07 0.16 -0.55 8.46 8.38 3hvnA1 SER 185 HA -0.08 0.20 0.82 -0.75 4.49 4.67 3hvnA1 SER 185 HB2 0.17 0.16 -0.09 -0.04 3.95 4.15 3hvnA1 SER 185 HB3 0.08 -0.05 0.06 -0.04 3.93 3.97 3hvnA1 MET 186 H -0.77 0.26 0.12 -0.55 8.47 7.53 3hvnA1 MET 186 HA 0.02 0.08 0.36 -0.75 4.52 4.23 3hvnA1 MET 186 HB2 -0.56 0.03 0.09 -0.04 2.15 1.67 3hvnA1 MET 186 HB3 -0.29 0.02 0.10 -0.04 2.03 1.82 3hvnA1 MET 186 HG2 -0.07 0.05 -0.04 -0.04 2.63 2.53 3hvnA1 MET 186 HG3 -0.04 0.04 -0.26 -0.04 2.56 2.25 3hvnA1 MET 186 HE3 0.23 0.00 -0.04 -0.04 2.10 2.25 3hvnA1 SER 187 H -0.09 0.09 -0.22 -0.55 8.46 7.70 3hvnA1 SER 187 HA -0.02 0.13 0.41 -0.75 4.49 4.27 3hvnA1 SER 187 HB2 0.01 0.16 -0.02 -0.04 3.95 4.05 3hvnA1 SER 187 HB3 -0.02 0.00 0.05 -0.04 3.93 3.91 3hvnA1 GLN 188 H -0.02 0.02 -0.21 -0.55 8.47 7.71 3hvnA1 GLN 188 HA -0.07 0.17 0.35 -0.75 4.36 4.06 3hvnA1 GLN 188 HB2 -0.40 0.06 -0.00 -0.04 2.15 1.76 3hvnA1 GLN 188 HB3 -0.14 0.04 -0.04 -0.04 2.02 1.83 3hvnA1 GLN 188 HG2 -0.24 -0.07 0.03 -0.04 2.40 2.08 3hvnA1 GLN 188 HG3 -0.04 0.36 0.22 -0.04 2.39 2.88 3hvnA1 GLN 188 HE21 -0.02 0.36 0.00 -0.04 6.97 7.27 3hvnA1 GLN 188 HE22 0.07 -0.62 0.15 -0.04 7.69 7.25 3hvnA1 LEU 189 H -0.02 0.57 -0.20 -0.55 8.37 8.18 3hvnA1 LEU 189 HA -0.10 0.09 0.53 -0.75 4.35 4.11 3hvnA1 LEU 189 HB2 0.04 0.11 0.07 -0.04 1.64 1.82 3hvnA1 LEU 189 HB3 -0.54 -0.01 -0.06 -0.04 1.64 0.99 3hvnA1 LEU 189 HG 0.10 -0.03 -0.03 -0.04 1.64 1.65 3hvnA1 LEU 189 HD13 0.34 -0.03 -0.16 -0.04 0.93 1.04 3hvnA1 LEU 189 HD23 -0.06 0.01 -0.10 -0.04 0.89 0.70 3hvnA1 LYS 190 H 0.00 0.42 -0.23 -0.55 8.42 8.06 3hvnA1 LYS 190 HA 0.08 0.15 0.56 -0.75 4.32 4.35 3hvnA1 LYS 190 HB2 0.01 0.15 0.23 -0.04 1.87 2.21 3hvnA1 LYS 190 HB3 0.02 -0.03 0.00 -0.04 1.79 1.75 3hvnA1 LYS 190 HG2 0.08 -0.00 0.04 -0.04 1.46 1.54 3hvnA1 LYS 190 HG3 0.02 -0.11 -0.10 -0.04 1.46 1.23 3hvnA1 LYS 190 HD2 0.07 0.13 0.22 -0.04 1.69 2.07 3hvnA1 LYS 190 HD3 0.05 -0.15 -0.03 -0.04 1.68 1.51 3hvnA1 LYS 190 HE2 0.01 -0.01 -0.03 -0.04 2.99 2.92 3hvnA1 LYS 190 HE3 0.02 0.08 -0.04 -0.04 2.99 3.01 3hvnA1 THR 191 H -0.05 0.16 -0.65 -0.55 8.28 7.20 3hvnA1 THR 191 HA -0.03 0.13 0.60 -0.75 4.39 4.34 3hvnA1 THR 191 HB -0.07 0.06 0.01 -0.04 4.32 4.28 3hvnA1 THR 191 HG23 -0.04 0.01 -0.33 -0.04 1.22 0.82 3hvnA1 LYS 192 H -0.16 0.34 -0.07 -0.55 8.42 7.97 3hvnA1 LYS 192 HA -0.31 0.06 0.40 -0.75 4.32 3.72 3hvnA1 LYS 192 HB2 -0.31 -0.01 0.09 -0.04 1.87 1.59 3hvnA1 LYS 192 HB3 -0.55 -0.03 0.12 -0.04 1.79 1.28 3hvnA1 LYS 192 HG2 -0.60 -0.06 -0.10 -0.04 1.46 0.66 3hvnA1 LYS 192 HG3 -1.42 0.02 -0.10 -0.04 1.46 -0.07 3hvnA1 LYS 192 HD2 -0.33 0.04 0.08 -0.04 1.69 1.43 3hvnA1 LYS 192 HD3 -0.25 -0.06 0.01 -0.04 1.68 1.34 3hvnA1 LYS 192 HE2 -0.22 0.15 -0.06 -0.04 2.99 2.83 3hvnA1 LYS 192 HE3 -0.32 -0.04 -0.04 -0.04 2.99 2.55 3hvnA1 PHE 193 H -0.04 0.21 -0.28 -0.55 8.34 7.68 3hvnA1 PHE 193 HA 0.04 0.22 0.91 -0.75 4.62 5.04 3hvnA1 PHE 193 HB2 0.01 -0.05 -0.04 -0.04 3.15 3.03 3hvnA1 PHE 193 HB3 0.26 -0.04 -0.02 -0.04 3.06 3.22 3hvnA1 PHE 193 HD2 -0.22 0.07 -0.03 -0.04 7.28 7.06 3hvnA1 PHE 193 HE2 -0.21 -0.05 -0.04 -0.04 7.38 7.05 3hvnA1 PHE 193 HZ -0.07 0.08 -0.20 -0.04 7.32 7.09 3hvnA1 GLY 194 H 0.09 0.12 -0.08 -0.55 8.43 8.01 3hvnA1 GLY 194 HA2 0.04 0.20 0.33 -0.51 4.01 4.07 3hvnA1 GLY 194 HA3 0.08 0.17 0.94 -0.51 4.01 4.69 3hvnA1 THR 195 H 0.04 0.29 0.09 -0.55 8.28 8.14 3hvnA1 THR 195 HA 0.04 0.11 0.72 -0.75 4.39 4.50 3hvnA1 THR 195 HB 0.02 0.06 0.06 -0.04 4.32 4.41 3hvnA1 THR 195 HG23 0.02 0.03 -0.01 -0.04 1.22 1.21 3hvnA1 SER 196 H 0.06 0.13 -0.48 -0.55 8.46 7.62 3hvnA1 SER 196 HA -0.06 0.23 0.85 -0.75 4.49 4.76 3hvnA1 SER 196 HB2 -0.06 0.13 -0.13 -0.04 3.95 3.86 3hvnA1 SER 196 HB3 -0.13 -0.08 0.02 -0.04 3.93 3.70 3hvnA1 PHE 197 H 0.15 0.24 -0.09 -0.55 8.34 8.09 3hvnA1 PHE 197 HA -0.24 0.10 0.42 -0.75 4.62 4.14 3hvnA1 PHE 197 HB2 0.02 0.11 -0.05 -0.04 3.15 3.18 3hvnA1 PHE 197 HB3 0.01 0.04 -0.19 -0.04 3.06 2.87 3hvnA1 PHE 197 HD2 -0.19 0.00 -0.14 -0.04 7.28 6.91 3hvnA1 PHE 197 HE2 -0.37 -0.00 -0.14 -0.04 7.38 6.82 3hvnA1 PHE 197 HZ -0.21 0.01 -0.15 -0.04 7.32 6.93 3hvnA1 GLU 198 H 0.05 0.13 -0.42 -0.55 8.60 7.82 3hvnA1 GLU 198 HA 0.02 0.06 0.44 -0.75 4.29 4.06 3hvnA1 GLU 198 HB2 0.02 0.01 -0.02 -0.04 2.09 2.06 3hvnA1 GLU 198 HB3 -0.01 0.14 -0.17 -0.04 1.99 1.90 3hvnA1 GLU 198 HG2 -0.02 0.06 -0.06 -0.04 2.34 2.28 3hvnA1 GLU 198 HG3 -0.02 -0.01 0.00 -0.04 2.34 2.26 3hvnA1 LYS 199 H -0.12 0.23 -0.73 -0.55 8.42 7.24 3hvnA1 LYS 199 HA -0.11 0.13 0.65 -0.75 4.32 4.23 3hvnA1 LYS 199 HB2 -0.20 0.15 0.14 -0.04 1.87 1.92 3hvnA1 LYS 199 HB3 -0.15 -0.04 0.05 -0.04 1.79 1.60 3hvnA1 LYS 199 HG2 -0.08 -0.04 0.06 -0.04 1.46 1.36 3hvnA1 LYS 199 HG3 -0.09 0.03 0.07 -0.04 1.46 1.43 3hvnA1 LYS 199 HD2 -0.07 -0.01 -0.21 -0.04 1.69 1.37 3hvnA1 LYS 199 HD3 -0.05 0.06 -0.04 -0.04 1.68 1.61 3hvnA1 LYS 199 HE2 -0.06 0.01 0.02 -0.04 2.99 2.92 3hvnA1 LYS 199 HE3 -0.08 -0.02 0.04 -0.04 2.99 2.88 3hvnA1 ILE 200 H -0.38 0.41 0.07 -0.55 8.25 7.80 3hvnA1 ILE 200 HA -0.44 0.16 0.70 -0.75 4.18 3.84 3hvnA1 ILE 200 HB -0.71 -0.02 0.08 -0.04 1.89 1.20 3hvnA1 ILE 200 HG12 -0.65 0.12 0.05 -0.04 1.49 0.97 3hvnA1 ILE 200 HG13 -1.15 0.03 -0.11 -0.04 1.21 -0.07 3hvnA1 ILE 200 HG23 -1.13 0.01 -0.08 -0.04 0.93 -0.30 3hvnA1 ILE 200 HD13 -1.04 0.01 -0.10 -0.04 0.88 -0.28 3hvnA1 ALA 201 H -0.24 0.20 -0.59 -0.55 8.40 7.22 3hvnA1 ALA 201 HA -0.21 -0.01 0.27 -0.75 4.34 3.64 3hvnA1 ALA 201 HB3 0.01 0.06 0.03 -0.04 1.41 1.47 3hvnA1 VAL 202 H -0.10 0.20 -0.27 -0.55 8.24 7.52 3hvnA1 VAL 202 HA -0.04 -0.00 0.34 -0.75 4.13 3.68 3hvnA1 VAL 202 HB -0.06 0.10 0.04 -0.04 2.12 2.15 3hvnA1 VAL 202 HG13 -0.03 -0.01 -0.14 -0.04 0.97 0.75 3hvnA1 VAL 202 HG23 -0.04 -0.00 0.01 -0.04 0.95 0.88 3hvnA1 PRO 203 HA -0.03 0.03 0.39 -0.51 4.44 4.32 3hvnA1 PRO 203 HB2 -0.04 0.09 -0.03 -0.04 2.28 2.26 3hvnA1 PRO 203 HB3 0.06 -0.03 0.00 -0.04 2.02 2.01 3hvnA1 PRO 203 HG2 -0.12 0.03 0.04 -0.04 2.03 1.93 3hvnA1 PRO 203 HG3 -0.02 -0.00 0.01 -0.04 2.03 1.98 3hvnA1 PRO 203 HD2 -0.19 0.00 -0.47 -0.04 3.68 2.99 3hvnA1 PRO 203 HD3 -0.10 0.07 0.02 -0.04 3.65 3.60 3hvnA1 LEU 204 H -0.16 0.64 -0.24 -0.55 8.37 8.06 3hvnA1 LEU 204 HA -0.07 0.03 0.25 -0.75 4.35 3.80 3hvnA1 LEU 204 HB2 -0.23 0.02 -0.01 -0.04 1.64 1.38 3hvnA1 LEU 204 HB3 -0.12 -0.11 -0.14 -0.04 1.64 1.24 3hvnA1 LEU 204 HG -0.32 0.11 -0.04 -0.04 1.64 1.34 3hvnA1 LEU 204 HD13 -0.64 -0.04 -0.19 -0.04 0.93 0.01 3hvnA1 LEU 204 HD23 -0.02 0.01 -0.07 -0.04 0.89 0.78 3hvnA1 ASP 205 H -0.07 0.45 -0.37 -0.55 8.40 7.87 3hvnA1 ASP 205 HA -0.04 -0.04 0.31 -0.75 4.63 4.11 3hvnA1 ASP 205 HB2 -0.05 0.11 -0.10 -0.04 2.71 2.63 3hvnA1 ASP 205 HB3 -0.06 0.14 -0.06 -0.04 2.70 2.67 3hvnA1 ILE 206 H -0.04 0.14 0.00 -0.55 8.25 7.80 3hvnA1 ILE 206 HA -0.18 0.22 0.71 -0.75 4.18 4.17 3hvnA1 ILE 206 HB -0.34 -0.07 -0.03 -0.04 1.89 1.41 3hvnA1 ILE 206 HG12 -0.08 0.12 -0.30 -0.04 1.49 1.19 3hvnA1 ILE 206 HG13 -0.03 0.04 -0.24 -0.04 1.21 0.94 3hvnA1 ILE 206 HG23 -0.80 -0.03 -0.23 -0.04 0.93 -0.17 3hvnA1 ILE 206 HD13 0.27 -0.01 -0.15 -0.04 0.88 0.95 3hvnA1 ASN 207 H -0.23 0.23 -0.01 -0.55 8.53 7.97 3hvnA1 ASN 207 HA -0.05 0.20 0.79 -0.75 4.76 4.94 3hvnA1 ASN 207 HB2 -0.07 0.16 -0.01 -0.04 2.88 2.93 3hvnA1 ASN 207 HB3 -0.07 -0.03 0.17 -0.04 2.79 2.82 3hvnA1 ASN 207 HD21 -0.00 0.04 -0.02 -0.04 7.03 7.00 3hvnA1 ASN 207 HD22 -0.02 0.08 -0.03 -0.04 7.74 7.73 3hvnA1 PHE 208 H -0.01 0.36 -0.13 -0.55 8.34 8.00 3hvnA1 PHE 208 HA 0.02 0.13 0.28 -0.75 4.62 4.30 3hvnA1 PHE 208 HB2 0.03 0.00 0.05 -0.04 3.15 3.19 3hvnA1 PHE 208 HB3 0.05 0.12 -0.01 -0.04 3.06 3.17 3hvnA1 PHE 208 HD2 0.04 0.15 -0.27 -0.04 7.28 7.16 3hvnA1 PHE 208 HE2 0.04 -0.01 -0.27 -0.04 7.38 7.09 3hvnA1 PHE 208 HZ 0.09 0.07 -0.19 -0.04 7.32 7.26 3hvnA1 ASP 209 H 0.15 0.10 -0.13 -0.55 8.40 7.97 3hvnA1 ASP 209 HA 0.09 0.14 0.44 -0.75 4.63 4.54 3hvnA1 ASP 209 HB2 0.05 -0.04 0.05 -0.04 2.71 2.73 3hvnA1 ASP 209 HB3 0.05 0.07 -0.01 -0.04 2.70 2.76 3hvnA1 ALA 210 H 0.03 0.05 -0.27 -0.55 8.40 7.67 3hvnA1 ALA 210 HA 0.02 0.06 0.44 -0.75 4.34 4.11 3hvnA1 ALA 210 HB3 -0.00 0.01 0.08 -0.04 1.41 1.46 3hvnA1 VAL 211 H 0.00 0.62 -0.02 -0.55 8.24 8.29 3hvnA1 VAL 211 HA 0.01 0.29 0.48 -0.75 4.13 4.16 3hvnA1 VAL 211 HB 0.02 -0.05 0.16 -0.04 2.12 2.20 3hvnA1 VAL 211 HG13 0.04 0.07 -0.00 -0.04 0.97 1.03 3hvnA1 VAL 211 HG23 -0.11 0.00 0.03 -0.04 0.95 0.83 3hvnA1 ASN 212 H 0.10 0.57 -0.16 -0.55 8.53 8.50 3hvnA1 ASN 212 HA 0.11 0.03 0.44 -0.75 4.76 4.59 3hvnA1 ASN 212 HB2 0.13 0.01 0.15 -0.04 2.88 3.13 3hvnA1 ASN 212 HB3 0.08 0.03 0.18 -0.04 2.79 3.03 3hvnA1 ASN 212 HD21 0.04 -0.02 -0.04 -0.04 7.03 6.97 3hvnA1 ASN 212 HD22 0.06 -0.05 -0.02 -0.04 7.74 7.68 3hvnA1 SER 213 H 0.05 0.49 -0.12 -0.55 8.46 8.33 3hvnA1 SER 213 HA 0.02 0.02 0.44 -0.75 4.49 4.22 3hvnA1 SER 213 HB2 0.01 -0.06 0.07 -0.04 3.95 3.93 3hvnA1 SER 213 HB3 0.02 0.01 0.11 -0.04 3.93 4.03 3hvnA1 GLY 214 H 0.03 0.41 -0.38 -0.55 8.43 7.94 3hvnA1 GLY 214 HA2 0.03 0.14 0.19 -0.51 4.01 3.86 3hvnA1 GLY 214 HA3 0.01 0.04 0.52 -0.51 4.01 4.08 3hvnA1 GLU 215 H 0.01 0.18 -0.07 -0.55 8.60 8.18 3hvnA1 GLU 215 HA 0.01 0.08 0.46 -0.75 4.29 4.08 3hvnA1 GLU 215 HB2 0.01 -0.15 0.15 -0.04 2.09 2.06 3hvnA1 GLU 215 HB3 0.01 -0.02 -0.02 -0.04 1.99 1.92 3hvnA1 GLU 215 HG2 0.01 0.02 -0.06 -0.04 2.34 2.26 3hvnA1 GLU 215 HG3 0.01 0.04 -0.10 -0.04 2.34 2.24 3hvnA1 LYS 216 H 0.01 -0.02 -0.08 -0.55 8.42 7.77 3hvnA1 LYS 216 HA 0.02 0.22 0.71 -0.75 4.32 4.52 3hvnA1 LYS 216 HB2 -0.01 -0.12 -0.05 -0.04 1.87 1.66 3hvnA1 LYS 216 HB3 0.01 0.01 -0.08 -0.04 1.79 1.69 3hvnA1 LYS 216 HG2 0.01 -0.04 -0.16 -0.04 1.46 1.23 3hvnA1 LYS 216 HG3 -0.00 -0.03 -0.07 -0.04 1.46 1.32 3hvnA1 LYS 216 HD2 0.02 -0.01 -0.19 -0.04 1.69 1.46 3hvnA1 LYS 216 HD3 0.03 0.05 -0.20 -0.04 1.68 1.51 3hvnA1 LYS 216 HE2 0.01 0.00 -0.07 -0.04 2.99 2.90 3hvnA1 LYS 216 HE3 0.00 -0.01 -0.07 -0.04 2.99 2.88 3hvnA1 GLN 217 H 0.05 0.70 0.35 -0.55 8.47 9.03 3hvnA1 GLN 217 HA 0.01 0.15 0.85 -0.75 4.36 4.61 3hvnA1 GLN 217 HB2 0.04 0.17 -0.10 -0.04 2.15 2.22 3hvnA1 GLN 217 HB3 0.09 -0.07 0.11 -0.04 2.02 2.11 3hvnA1 GLN 217 HG2 0.12 -0.11 -0.15 -0.04 2.40 2.22 3hvnA1 GLN 217 HG3 0.03 0.05 0.08 -0.04 2.39 2.51 3hvnA1 GLN 217 HE21 0.05 -0.09 -0.01 -0.04 6.97 6.88 3hvnA1 GLN 217 HE22 0.09 -0.03 -0.04 -0.04 7.69 7.68 3hvnA1 VAL 218 H -0.06 0.26 0.19 -0.55 8.24 8.09 3hvnA1 VAL 218 HA -0.01 0.43 1.31 -0.75 4.13 5.10 3hvnA1 VAL 218 HB -0.08 -0.03 -0.12 -0.04 2.12 1.85 3hvnA1 VAL 218 HG13 -0.18 -0.06 -0.01 -0.04 0.97 0.68 3hvnA1 VAL 218 HG23 -0.12 0.02 -0.32 -0.04 0.95 0.48 3hvnA1 GLN 219 H -0.28 0.71 0.38 -0.55 8.47 8.74 3hvnA1 GLN 219 HA -0.04 0.06 1.06 -0.75 4.36 4.70 3hvnA1 GLN 219 HB2 0.19 -0.06 -0.08 -0.04 2.15 2.16 3hvnA1 GLN 219 HB3 -0.39 0.02 0.07 -0.04 2.02 1.67 3hvnA1 GLN 219 HG2 -0.06 0.03 -0.52 -0.04 2.40 1.82 3hvnA1 GLN 219 HG3 0.05 0.00 -0.24 -0.04 2.39 2.16 3hvnA1 GLN 219 HE21 0.30 0.01 -0.04 -0.04 6.97 7.20 3hvnA1 GLN 219 HE22 0.29 -0.04 -0.12 -0.04 7.69 7.79 3hvnA1 ILE 220 H 0.01 0.72 0.32 -0.55 8.25 8.75 3hvnA1 ILE 220 HA 0.02 0.28 1.12 -0.75 4.18 4.84 3hvnA1 ILE 220 HB 0.09 0.03 0.10 -0.04 1.89 2.07 3hvnA1 ILE 220 HG12 0.34 -0.04 -0.11 -0.04 1.49 1.63 3hvnA1 ILE 220 HG13 0.16 0.10 -0.06 -0.04 1.21 1.38 3hvnA1 ILE 220 HG23 -0.00 0.01 -0.26 -0.04 0.93 0.64 3hvnA1 ILE 220 HD13 -0.02 -0.05 -0.36 -0.04 0.88 0.42 3hvnA1 VAL 221 H 0.02 0.79 0.32 -0.55 8.24 8.82 3hvnA1 VAL 221 HA -0.05 0.25 0.99 -0.75 4.13 4.57 3hvnA1 VAL 221 HB -0.03 0.00 0.08 -0.04 2.12 2.13 3hvnA1 VAL 221 HG13 -0.22 -0.01 -0.34 -0.04 0.97 0.36 3hvnA1 VAL 221 HG23 -0.03 -0.03 -0.29 -0.04 0.95 0.56 3hvnA1 ASN 222 H 0.08 0.79 0.21 -0.55 8.53 9.06 3hvnA1 ASN 222 HA -0.47 0.11 0.88 -0.75 4.76 4.53 3hvnA1 ASN 222 HB2 0.27 -0.01 0.11 -0.04 2.88 3.21 3hvnA1 ASN 222 HB3 0.10 -0.01 0.30 -0.04 2.79 3.14 3hvnA1 ASN 222 HD21 0.03 0.02 -0.02 -0.04 7.03 7.02 3hvnA1 ASN 222 HD22 0.31 0.04 0.03 -0.04 7.74 8.09 3hvnA1 PHE 223 H -0.08 0.78 0.27 -0.55 8.34 8.75 3hvnA1 PHE 223 HA -0.09 0.09 0.85 -0.75 4.62 4.72 3hvnA1 PHE 223 HB2 -0.04 -0.09 0.01 -0.04 3.15 3.00 3hvnA1 PHE 223 HB3 -0.10 0.06 0.25 -0.04 3.06 3.23 3hvnA1 PHE 223 HD2 0.08 -0.06 -0.12 -0.04 7.28 7.13 3hvnA1 PHE 223 HE2 -0.01 -0.01 -0.13 -0.04 7.38 7.19 3hvnA1 PHE 223 HZ -0.03 -0.01 -0.10 -0.04 7.32 7.15 3hvnA1 LYS 224 H -0.37 0.81 0.27 -0.55 8.42 8.57 3hvnA1 LYS 224 HA -0.31 0.20 1.02 -0.75 4.32 4.48 3hvnA1 LYS 224 HB2 -0.23 0.15 0.21 -0.04 1.87 1.97 3hvnA1 LYS 224 HB3 -0.23 -0.08 -0.03 -0.04 1.79 1.41 3hvnA1 LYS 224 HG2 -0.19 -0.02 -0.04 -0.04 1.46 1.17 3hvnA1 LYS 224 HG3 -0.25 -0.02 -0.13 -0.04 1.46 1.01 3hvnA1 LYS 224 HD2 -0.11 -0.07 -0.10 -0.04 1.69 1.37 3hvnA1 LYS 224 HD3 -0.04 0.10 -0.12 -0.04 1.68 1.58 3hvnA1 LYS 224 HE2 -0.03 -0.03 -0.05 -0.04 2.99 2.83 3hvnA1 LYS 224 HE3 -0.03 0.02 -0.03 -0.04 2.99 2.91 3hvnA1 GLN 225 H -0.29 0.44 0.13 -0.55 8.47 8.19 3hvnA1 GLN 225 HA -0.38 0.25 0.77 -0.75 4.36 4.25 3hvnA1 GLN 225 HB2 -0.22 0.04 -0.16 -0.04 2.15 1.77 3hvnA1 GLN 225 HB3 -0.24 -0.04 0.24 -0.04 2.02 1.94 3hvnA1 GLN 225 HG2 -0.58 -0.08 -0.15 -0.04 2.40 1.55 3hvnA1 GLN 225 HG3 -0.20 0.04 -0.14 -0.04 2.39 2.05 3hvnA1 GLN 225 HE21 0.13 0.26 0.20 -0.04 6.97 7.52 3hvnA1 GLN 225 HE22 -0.04 -0.12 -0.04 -0.04 7.69 7.45 3hvnA1 ILE 226 H -0.24 0.67 0.07 -0.55 8.25 8.20 3hvnA1 ILE 226 HA -0.22 -0.05 0.37 -0.75 4.18 3.53 3hvnA1 ILE 226 HB -0.15 0.03 0.02 -0.04 1.89 1.74 3hvnA1 ILE 226 HG12 -0.10 -0.04 -0.10 -0.04 1.49 1.20 3hvnA1 ILE 226 HG13 -0.12 0.31 -0.02 -0.04 1.21 1.34 3hvnA1 ILE 226 HG23 -0.08 -0.03 -0.16 -0.04 0.93 0.62 3hvnA1 ILE 226 HD13 -0.14 -0.05 -0.57 -0.04 0.88 0.08 3hvnA1 TYR 227 H -0.08 0.35 0.68 -0.55 8.29 8.69 3hvnA1 TYR 227 HA 0.01 0.05 0.83 -0.75 4.56 4.70 3hvnA1 TYR 227 HB2 0.02 0.04 0.24 -0.04 3.06 3.32 3hvnA1 TYR 227 HB3 0.12 -0.00 0.07 -0.04 2.98 3.13 3hvnA1 TYR 227 HD2 0.02 -0.08 0.06 -0.04 7.15 7.10 3hvnA1 TYR 227 HE2 0.03 -0.06 -0.06 -0.04 6.85 6.72 3hvnA1 TYR 228 H -0.13 0.67 0.43 -0.55 8.29 8.72 3hvnA1 TYR 228 HA -0.04 0.16 0.65 -0.75 4.56 4.58 3hvnA1 TYR 228 HB2 -0.15 -0.01 0.17 -0.04 3.06 3.03 3hvnA1 TYR 228 HB3 -0.13 0.08 -0.06 -0.04 2.98 2.83 3hvnA1 TYR 228 HD2 -0.00 -0.02 -0.14 -0.04 7.15 6.94 3hvnA1 TYR 228 HE2 -0.29 -0.01 -0.04 -0.04 6.85 6.47 3hvnA1 THR 229 H 0.19 0.54 0.26 -0.55 8.28 8.72 3hvnA1 THR 229 HA 0.11 0.14 1.00 -0.75 4.39 4.89 3hvnA1 THR 229 HB 0.04 -0.04 0.02 -0.04 4.32 4.30 3hvnA1 THR 229 HG23 0.03 -0.01 -0.31 -0.04 1.22 0.88 3hvnA1 VAL 230 H 0.32 0.53 0.35 -0.55 8.24 8.89 3hvnA1 VAL 230 HA 0.14 0.23 0.98 -0.75 4.13 4.72 3hvnA1 VAL 230 HB 0.32 -0.06 0.23 -0.04 2.12 2.56 3hvnA1 VAL 230 HG13 0.13 0.02 -0.07 -0.04 0.97 1.01 3hvnA1 VAL 230 HG23 0.24 -0.00 0.04 -0.04 0.95 1.18 3hvnA1 SER 231 H 0.09 0.71 0.48 -0.55 8.46 9.20 3hvnA1 SER 231 HA 0.08 0.20 1.09 -0.75 4.49 5.11 3hvnA1 SER 231 HB2 0.08 -0.06 0.04 -0.04 3.95 3.97 3hvnA1 SER 231 HB3 0.07 0.04 -0.01 -0.04 3.93 3.99 3hvnA1 VAL 232 H 0.10 0.47 0.30 -0.55 8.24 8.56 3hvnA1 VAL 232 HA 0.09 0.16 1.08 -0.75 4.13 4.71 3hvnA1 VAL 232 HB 0.17 -0.02 0.21 -0.04 2.12 2.45 3hvnA1 VAL 232 HG13 0.06 0.03 -0.13 -0.04 0.97 0.89 3hvnA1 VAL 232 HG23 0.10 0.01 -0.10 -0.04 0.95 0.92 3hvnA1 ASP 233 H 0.06 0.76 0.31 -0.55 8.40 8.99 3hvnA1 ASP 233 HA 0.06 -0.05 0.40 -0.75 4.63 4.28 3hvnA1 ASP 233 HB2 0.02 -0.09 0.24 -0.04 2.71 2.84 3hvnA1 ASP 233 HB3 0.01 0.02 -0.03 -0.04 2.70 2.66 3hvnA1 GLU 234 H 0.06 0.05 0.18 -0.55 8.60 8.33 3hvnA1 GLU 234 HA 0.08 0.10 0.37 -0.75 4.29 4.09 3hvnA1 GLU 234 HB2 0.05 -0.09 0.13 -0.04 2.09 2.13 3hvnA1 GLU 234 HB3 0.06 0.07 -0.08 -0.04 1.99 1.99 3hvnA1 GLU 234 HG2 0.17 0.04 0.03 -0.04 2.34 2.54 3hvnA1 GLU 234 HG3 0.09 -0.03 0.07 -0.04 2.34 2.43 3hvnA1 PRO 235 HA -0.09 -0.01 0.38 -0.51 4.44 4.21 3hvnA1 PRO 235 HB2 -0.21 -0.01 -0.05 -0.04 2.28 1.97 3hvnA1 PRO 235 HB3 -0.20 0.02 -0.02 -0.04 2.02 1.77 3hvnA1 PRO 235 HG2 -0.76 -0.00 0.01 -0.04 2.03 1.24 3hvnA1 PRO 235 HG3 -0.36 0.11 0.05 -0.04 2.03 1.79 3hvnA1 PRO 235 HD2 -0.19 0.05 0.11 -0.04 3.68 3.61 3hvnA1 PRO 235 HD3 -0.19 0.23 0.15 -0.04 3.65 3.81 3hvnA1 GLU 236 H -0.04 0.13 0.20 -0.55 8.60 8.34 3hvnA1 GLU 236 HA -0.02 0.12 0.42 -0.75 4.29 4.06 3hvnA1 GLU 236 HB2 -0.02 -0.07 0.08 -0.04 2.09 2.05 3hvnA1 GLU 236 HB3 -0.01 -0.01 0.09 -0.04 1.99 2.02 3hvnA1 GLU 236 HG2 -0.01 0.03 0.06 -0.04 2.34 2.39 3hvnA1 GLU 236 HG3 -0.02 0.06 0.13 -0.04 2.34 2.47 3hvnA1 SER 237 H -0.06 0.11 -0.25 -0.55 8.46 7.71 3hvnA1 SER 237 HA -0.05 0.33 0.60 -0.75 4.49 4.61 3hvnA1 SER 237 HB2 -0.01 -0.17 0.00 -0.04 3.95 3.73 3hvnA1 SER 237 HB3 -0.01 -0.10 0.11 -0.04 3.93 3.89 3hvnA1 PRO 238 HA -0.22 0.15 0.48 -0.51 4.44 4.34 3hvnA1 PRO 238 HB2 -0.11 -0.10 -0.04 -0.04 2.28 1.98 3hvnA1 PRO 238 HB3 -0.96 0.07 0.04 -0.04 2.02 1.13 3hvnA1 PRO 238 HG2 -0.32 -0.01 0.09 -0.04 2.03 1.76 3hvnA1 PRO 238 HG3 -0.56 0.35 0.11 -0.04 2.03 1.88 3hvnA1 PRO 238 HD2 -0.06 -0.01 0.26 -0.04 3.68 3.83 3hvnA1 PRO 238 HD3 -0.11 0.35 0.20 -0.04 3.65 4.04 3hvnA1 SER 239 H 0.03 0.09 -0.22 -0.55 8.46 7.82 3hvnA1 SER 239 HA 0.15 0.10 0.47 -0.75 4.49 4.46 3hvnA1 SER 239 HB2 0.06 0.10 0.02 -0.04 3.95 4.08 3hvnA1 SER 239 HB3 0.07 -0.11 0.11 -0.04 3.93 3.96 3hvnA1 LYS 240 H -0.00 -0.01 -0.24 -0.55 8.42 7.61 3hvnA1 LYS 240 HA 0.00 0.05 0.42 -0.75 4.32 4.05 3hvnA1 LYS 240 HB2 -0.02 -0.07 0.10 -0.04 1.87 1.85 3hvnA1 LYS 240 HB3 -0.05 -0.00 0.17 -0.04 1.79 1.87 3hvnA1 LYS 240 HG2 -0.05 0.17 -0.15 -0.04 1.46 1.39 3hvnA1 LYS 240 HG3 -0.02 0.01 0.07 -0.04 1.46 1.49 3hvnA1 LYS 240 HD2 -0.02 0.00 0.09 -0.04 1.69 1.72 3hvnA1 LYS 240 HD3 -0.05 -0.27 0.16 -0.04 1.68 1.48 3hvnA1 LYS 240 HE2 -0.04 0.12 -0.00 -0.04 2.99 3.03 3hvnA1 LYS 240 HE3 -0.02 0.02 0.03 -0.04 2.99 2.97 3hvnA1 LEU 241 H -0.07 0.24 -0.34 -0.55 8.37 7.64 3hvnA1 LEU 241 HA -0.16 0.11 0.49 -0.75 4.35 4.03 3hvnA1 LEU 241 HB2 -0.28 -0.03 0.08 -0.04 1.64 1.37 3hvnA1 LEU 241 HB3 -0.32 0.05 0.24 -0.04 1.64 1.57 3hvnA1 LEU 241 HG -0.50 -0.00 -0.16 -0.04 1.64 0.94 3hvnA1 LEU 241 HD13 -0.35 0.02 0.01 -0.04 0.93 0.58 3hvnA1 LEU 241 HD23 -0.44 -0.01 -0.04 -0.04 0.89 0.36 3hvnA1 PHE 242 H 0.09 0.61 0.08 -0.55 8.34 8.56 3hvnA1 PHE 242 HA 0.02 0.06 0.31 -0.75 4.62 4.26 3hvnA1 PHE 242 HB2 0.04 0.01 0.12 -0.04 3.15 3.28 3hvnA1 PHE 242 HB3 0.04 -0.02 0.07 -0.04 3.06 3.11 3hvnA1 PHE 242 HD2 0.05 0.15 -0.03 -0.04 7.28 7.41 3hvnA1 PHE 242 HE2 0.22 -0.03 -0.06 -0.04 7.38 7.47 3hvnA1 PHE 242 HZ 0.30 -0.03 -0.05 -0.04 7.32 7.50 3hvnA1 GLY 245 HA2 0.04 0.02 0.28 -0.51 4.01 3.84 3hvnA1 GLY 245 HA3 0.03 -0.00 0.22 -0.51 4.01 3.75 3hvnA1 THR 246 H 0.02 0.30 0.09 -0.55 8.28 8.14 3hvnA1 THR 246 HA 0.01 0.12 0.52 -0.75 4.39 4.28 3hvnA1 THR 246 HB 0.01 -0.05 0.21 -0.04 4.32 4.45 3hvnA1 THR 246 HG23 0.01 0.02 0.04 -0.04 1.22 1.25 3hvnA1 THR 247 H 0.02 0.18 -0.91 -0.55 8.28 7.02 3hvnA1 THR 247 HA -0.02 0.05 0.55 -0.75 4.39 4.22 3hvnA1 THR 247 HB -0.10 -0.07 -0.01 -0.04 4.32 4.10 3hvnA1 THR 247 HG23 0.07 0.04 -0.13 -0.04 1.22 1.16 3hvnA1 VAL 248 H -0.02 0.42 -0.10 -0.55 8.24 7.98 3hvnA1 VAL 248 HA -0.03 0.11 0.31 -0.75 4.13 3.76 3hvnA1 VAL 248 HB -0.02 0.06 0.06 -0.04 2.12 2.18 3hvnA1 VAL 248 HG13 -0.03 -0.07 0.12 -0.04 0.97 0.96 3hvnA1 VAL 248 HG23 -0.04 0.01 -0.13 -0.04 0.95 0.75 3hvnA1 GLU 249 H -0.06 0.10 0.00 -0.55 8.60 8.10 3hvnA1 GLU 249 HA -0.13 0.23 0.69 -0.75 4.29 4.33 3hvnA1 GLU 249 HB2 -0.09 0.09 -0.17 -0.04 2.09 1.88 3hvnA1 GLU 249 HB3 -0.08 0.01 0.07 -0.04 1.99 1.95 3hvnA1 GLU 249 HG2 -0.14 -0.16 0.22 -0.04 2.34 2.22 3hvnA1 GLU 249 HG3 -0.20 0.08 0.12 -0.04 2.34 2.29 3hvnA1 ASP 250 H -0.08 0.19 -0.21 -0.55 8.40 7.76 3hvnA1 ASP 250 HA -0.04 0.12 0.51 -0.75 4.63 4.47 3hvnA1 ASP 250 HB2 -0.03 0.05 0.07 -0.04 2.71 2.76 3hvnA1 ASP 250 HB3 -0.01 0.07 0.16 -0.04 2.70 2.88 3hvnA1 LEU 251 H -0.11 0.22 -0.87 -0.55 8.37 7.07 3hvnA1 LEU 251 HA -0.03 0.26 0.76 -0.75 4.35 4.58 3hvnA1 LEU 251 HB2 -0.15 0.02 -0.02 -0.04 1.64 1.45 3hvnA1 LEU 251 HB3 -0.06 0.03 -0.03 -0.04 1.64 1.53 3hvnA1 LEU 251 HG -0.23 -0.09 -0.26 -0.04 1.64 1.02 3hvnA1 LEU 251 HD13 -0.21 0.02 -0.08 -0.04 0.93 0.62 3hvnA1 LEU 251 HD23 -0.51 0.04 -0.21 -0.04 0.89 0.17 3hvnA1 LYS 252 H -0.09 0.22 0.11 -0.55 8.42 8.11 3hvnA1 LYS 252 HA -0.03 0.19 0.53 -0.75 4.32 4.26 3hvnA1 LYS 252 HB2 -0.06 0.04 0.11 -0.04 1.87 1.91 3hvnA1 LYS 252 HB3 -0.04 0.02 0.14 -0.04 1.79 1.87 3hvnA1 LYS 252 HG2 -0.09 0.11 0.10 -0.04 1.46 1.53 3hvnA1 LYS 252 HG3 -0.17 -0.07 0.11 -0.04 1.46 1.29 3hvnA1 LYS 252 HD2 -0.11 0.01 0.06 -0.04 1.69 1.62 3hvnA1 LYS 252 HD3 -0.07 -0.00 0.05 -0.04 1.68 1.62 3hvnA1 LYS 252 HE2 -0.17 -0.00 0.03 -0.04 2.99 2.81 3hvnA1 LYS 252 HE3 -0.33 -0.00 0.04 -0.04 2.99 2.66 3hvnA1 ARG 253 H -0.02 0.07 -0.65 -0.55 8.46 7.30 3hvnA1 ARG 253 HA -0.00 0.20 0.74 -0.75 4.34 4.52 3hvnA1 ARG 253 HB2 -0.01 0.01 -0.05 -0.04 1.90 1.81 3hvnA1 ARG 253 HB3 -0.00 0.04 0.14 -0.04 1.80 1.94 3hvnA1 ARG 253 HG2 -0.01 0.05 -0.06 -0.04 1.67 1.61 3hvnA1 ARG 253 HG3 -0.02 -0.07 -0.10 -0.04 1.67 1.44 3hvnA1 ARG 253 HD2 -0.01 0.03 0.01 -0.04 3.22 3.21 3hvnA1 ARG 253 HD3 -0.01 -0.00 -0.02 -0.04 3.22 3.14 3hvnA1 ASN 254 H 0.01 0.14 -0.41 -0.55 8.53 7.73 3hvnA1 ASN 254 HA 0.03 0.20 0.73 -0.75 4.76 4.96 3hvnA1 ASN 254 HB2 0.06 0.05 -0.00 -0.04 2.88 2.94 3hvnA1 ASN 254 HB3 0.07 -0.02 0.00 -0.04 2.79 2.80 3hvnA1 ASN 254 HD21 0.04 0.00 -0.03 -0.04 7.03 7.00 3hvnA1 ASN 254 HD22 0.04 0.01 0.15 -0.04 7.74 7.90 3hvnA1 GLY 255 H 0.02 0.00 -0.00 -0.55 8.43 7.90 3hvnA1 GLY 255 HA2 0.02 0.01 0.21 -0.51 4.01 3.74 3hvnA1 GLY 255 HA3 0.03 0.19 0.74 -0.51 4.01 4.45 3hvnA1 ILE 256 H 0.03 0.19 0.09 -0.55 8.25 8.01 3hvnA1 ILE 256 HA 0.05 0.33 0.82 -0.75 4.18 4.63 3hvnA1 ILE 256 HB 0.03 -0.09 -0.06 -0.04 1.89 1.73 3hvnA1 ILE 256 HG12 0.13 0.08 -0.10 -0.04 1.49 1.56 3hvnA1 ILE 256 HG13 0.10 -0.00 -0.15 -0.04 1.21 1.12 3hvnA1 ILE 256 HG23 0.05 -0.01 -0.18 -0.04 0.93 0.76 3hvnA1 ILE 256 HD13 0.25 -0.02 -0.05 -0.04 0.88 1.02 3hvnA1 THR 257 H 0.03 0.51 0.15 -0.55 8.28 8.43 3hvnA1 THR 257 HA 0.10 0.18 0.64 -0.75 4.39 4.56 3hvnA1 THR 257 HB 0.03 -0.20 -0.03 -0.04 4.32 4.08 3hvnA1 THR 257 HG23 0.05 -0.01 0.09 -0.04 1.22 1.31 3hvnA1 ASP 258 H 0.06 0.21 0.11 -0.55 8.40 8.23 3hvnA1 ASP 258 HA 0.05 0.12 0.47 -0.75 4.63 4.52 3hvnA1 ASP 258 HB2 0.02 0.00 0.11 -0.04 2.71 2.80 3hvnA1 ASP 258 HB3 0.04 0.02 0.03 -0.04 2.70 2.75 3hvnA1 GLU 259 H 0.02 -0.15 -0.59 -0.55 8.60 7.34 3hvnA1 GLU 259 HA 0.03 0.22 0.84 -0.75 4.29 4.62 3hvnA1 GLU 259 HB2 0.02 -0.06 -0.01 -0.04 2.09 2.00 3hvnA1 GLU 259 HB3 0.02 0.04 0.01 -0.04 1.99 2.01 3hvnA1 GLU 259 HG2 0.03 -0.06 -0.19 -0.04 2.34 2.08 3hvnA1 GLU 259 HG3 0.02 -0.00 -0.03 -0.04 2.34 2.29 3hvnA1 VAL 260 H -0.00 -0.05 -0.24 -0.55 8.24 7.40 3hvnA1 VAL 260 HA -0.02 0.34 0.92 -0.75 4.13 4.61 3hvnA1 VAL 260 HB 0.01 0.07 0.24 -0.04 2.12 2.40 3hvnA1 VAL 260 HG13 0.00 -0.00 -0.04 -0.04 0.97 0.89 3hvnA1 VAL 260 HG23 0.01 -0.03 -0.19 -0.04 0.95 0.69 3hvnA1 PRO 261 HA -0.08 0.09 0.48 -0.51 4.44 4.42 3hvnA1 PRO 261 HB2 -0.19 0.00 -0.07 -0.04 2.28 1.98 3hvnA1 PRO 261 HB3 -1.28 -0.00 0.04 -0.04 2.02 0.74 3hvnA1 PRO 261 HG2 -0.07 0.04 0.05 -0.04 2.03 2.01 3hvnA1 PRO 261 HG3 -0.55 -0.02 -0.07 -0.04 2.03 1.35 3hvnA1 PRO 261 HD2 -0.09 0.30 -0.05 -0.04 3.68 3.80 3hvnA1 PRO 261 HD3 -0.22 0.09 -0.31 -0.04 3.65 3.17 3hvnA1 PRO 262 HA 0.06 0.14 0.76 -0.51 4.44 4.89 3hvnA1 PRO 262 HB2 0.29 -0.03 0.01 -0.04 2.28 2.51 3hvnA1 PRO 262 HB3 0.21 0.09 0.05 -0.04 2.02 2.33 3hvnA1 PRO 262 HG2 0.45 0.00 0.06 -0.04 2.03 2.51 3hvnA1 PRO 262 HG3 0.18 0.07 0.07 -0.04 2.03 2.30 3hvnA1 PRO 262 HD2 0.31 -0.01 0.26 -0.04 3.68 4.20 3hvnA1 PRO 262 HD3 0.07 0.14 0.27 -0.04 3.65 4.10 3hvnA1 VAL 263 H -0.02 0.83 0.37 -0.55 8.24 8.87 3hvnA1 VAL 263 HA -0.02 0.10 0.98 -0.75 4.13 4.44 3hvnA1 VAL 263 HB -0.31 -0.03 -0.18 -0.04 2.12 1.55 3hvnA1 VAL 263 HG13 -0.71 -0.02 -0.34 -0.04 0.97 -0.14 3hvnA1 VAL 263 HG23 -0.15 -0.00 -0.34 -0.04 0.95 0.43 3hvnA1 TYR 264 H -0.19 0.62 0.30 -0.55 8.29 8.47 3hvnA1 TYR 264 HA -0.10 0.27 1.03 -0.75 4.56 5.01 3hvnA1 TYR 264 HB2 -0.09 0.11 -0.13 -0.04 3.06 2.91 3hvnA1 TYR 264 HB3 -0.09 -0.03 -0.19 -0.04 2.98 2.62 3hvnA1 TYR 264 HD2 -0.04 0.03 -0.31 -0.04 7.15 6.78 3hvnA1 TYR 264 HE2 -0.01 0.06 -0.19 -0.04 6.85 6.68 3hvnA1 VAL 265 H -0.05 0.75 0.17 -0.55 8.24 8.55 3hvnA1 VAL 265 HA -0.08 0.09 0.64 -0.75 4.13 4.02 3hvnA1 VAL 265 HB -0.11 -0.13 0.20 -0.04 2.12 2.04 3hvnA1 VAL 265 HG13 0.03 -0.02 -0.28 -0.04 0.97 0.66 3hvnA1 VAL 265 HG23 -0.14 0.04 -0.00 -0.04 0.95 0.80 3hvnA1 SER 266 H -0.16 0.34 0.47 -0.55 8.46 8.56 3hvnA1 SER 266 HA 0.13 0.11 0.55 -0.75 4.49 4.52 3hvnA1 SER 266 HB2 0.01 0.02 0.01 -0.04 3.95 3.95 3hvnA1 SER 266 HB3 -0.31 0.02 0.02 -0.04 3.93 3.62 3hvnA1 SER 267 H -0.01 0.28 0.21 -0.55 8.46 8.39 3hvnA1 SER 267 HA 0.06 0.37 1.14 -0.75 4.49 5.30 3hvnA1 SER 267 HB2 0.03 0.00 -0.09 -0.04 3.95 3.84 3hvnA1 SER 267 HB3 -0.00 -0.06 0.04 -0.04 3.93 3.87 3hvnA1 VAL 268 H 0.09 0.80 0.31 -0.55 8.24 8.89 3hvnA1 VAL 268 HA -0.00 0.16 1.15 -0.75 4.13 4.67 3hvnA1 VAL 268 HB 0.20 -0.04 0.13 -0.04 2.12 2.37 3hvnA1 VAL 268 HG13 -0.43 0.02 -0.14 -0.04 0.97 0.38 3hvnA1 VAL 268 HG23 0.06 -0.02 -0.33 -0.04 0.95 0.63 3hvnA1 SER 269 H -0.12 0.66 0.30 -0.55 8.46 8.76 3hvnA1 SER 269 HA -0.07 0.14 0.95 -0.75 4.49 4.75 3hvnA1 SER 269 HB2 -0.10 -0.03 0.09 -0.04 3.95 3.87 3hvnA1 SER 269 HB3 -0.10 0.02 -0.03 -0.04 3.93 3.77 3hvnA1 TYR 270 H -0.18 0.73 0.36 -0.55 8.29 8.64 3hvnA1 TYR 270 HA -0.16 0.18 0.98 -0.75 4.56 4.81 3hvnA1 TYR 270 HB2 -1.87 -0.04 0.06 -0.04 3.06 1.18 3hvnA1 TYR 270 HB3 -0.53 -0.02 -0.12 -0.04 2.98 2.27 3hvnA1 TYR 270 HD2 -0.09 -0.02 -0.33 -0.04 7.15 6.67 3hvnA1 TYR 270 HE2 0.09 0.02 -0.03 -0.04 6.85 6.89 3hvnA1 GLY 271 H -0.01 0.49 0.23 -0.55 8.43 8.60 3hvnA1 GLY 271 HA2 0.29 0.05 0.60 -0.51 4.01 4.43 3hvnA1 GLY 271 HA3 -0.17 0.10 0.56 -0.51 4.01 3.98 3hvnA1 ARG 272 H -0.26 0.63 0.24 -0.55 8.46 8.53 3hvnA1 ARG 272 HA -0.06 0.19 1.11 -0.75 4.34 4.83 3hvnA1 ARG 272 HB2 -0.07 0.00 0.17 -0.04 1.90 1.96 3hvnA1 ARG 272 HB3 -0.01 0.07 -0.07 -0.04 1.80 1.75 3hvnA1 ARG 272 HG2 0.17 -0.11 -0.86 -0.04 1.67 0.83 3hvnA1 ARG 272 HG3 0.44 -0.07 -0.18 -0.04 1.67 1.82 3hvnA1 ARG 272 HD2 0.26 -0.21 0.07 -0.04 3.22 3.30 3hvnA1 ARG 272 HD3 0.18 0.17 0.11 -0.04 3.22 3.64 3hvnA1 SER 273 H -0.51 0.69 0.37 -0.55 8.46 8.47 3hvnA1 SER 273 HA -0.31 0.12 1.02 -0.75 4.49 4.56 3hvnA1 SER 273 HB2 -0.39 -0.07 0.06 -0.04 3.95 3.50 3hvnA1 SER 273 HB3 -1.94 0.01 0.18 -0.04 3.93 2.14 3hvnA1 MET 274 H -0.21 0.56 0.19 -0.55 8.47 8.46 3hvnA1 MET 274 HA 0.04 0.19 1.07 -0.75 4.52 5.06 3hvnA1 MET 274 HB2 0.05 0.00 -0.16 -0.04 2.15 2.00 3hvnA1 MET 274 HB3 0.17 0.09 0.21 -0.04 2.03 2.46 3hvnA1 MET 274 HG2 0.05 -0.07 -0.30 -0.04 2.63 2.26 3hvnA1 MET 274 HG3 0.05 -0.02 -0.17 -0.04 2.56 2.38 3hvnA1 MET 274 HE3 0.03 0.02 -0.11 -0.04 2.10 2.00 3hvnA1 PHE 275 H 0.43 0.70 0.28 -0.55 8.34 9.19 3hvnA1 PHE 275 HA 0.02 0.16 0.97 -0.75 4.62 5.02 3hvnA1 PHE 275 HB2 0.07 0.02 0.25 -0.04 3.15 3.45 3hvnA1 PHE 275 HB3 -0.10 -0.04 0.00 -0.04 3.06 2.88 3hvnA1 PHE 275 HD2 0.03 0.03 -0.07 -0.04 7.28 7.23 3hvnA1 PHE 275 HE2 0.21 0.07 -0.05 -0.04 7.38 7.58 3hvnA1 PHE 275 HZ 0.17 0.11 -0.07 -0.04 7.32 7.49 3hvnA1 ILE 276 H 0.04 0.79 0.41 -0.55 8.25 8.95 3hvnA1 ILE 276 HA 0.12 0.14 0.92 -0.75 4.18 4.60 3hvnA1 ILE 276 HB 0.00 -0.06 0.05 -0.04 1.89 1.84 3hvnA1 ILE 276 HG12 0.05 -0.04 -0.29 -0.04 1.49 1.17 3hvnA1 ILE 276 HG13 0.03 0.22 -0.02 -0.04 1.21 1.39 3hvnA1 ILE 276 HG23 0.10 -0.01 -0.18 -0.04 0.93 0.80 3hvnA1 ILE 276 HD13 -0.12 -0.01 -0.07 -0.04 0.88 0.65 3hvnA1 LYS 277 H 0.08 0.64 0.31 -0.55 8.42 8.90 3hvnA1 LYS 277 HA -0.01 0.14 1.06 -0.75 4.32 4.74 3hvnA1 LYS 277 HB2 -0.01 -0.05 0.02 -0.04 1.87 1.79 3hvnA1 LYS 277 HB3 -0.02 0.11 0.29 -0.04 1.79 2.13 3hvnA1 LYS 277 HG2 -0.05 -0.09 -0.12 -0.04 1.46 1.15 3hvnA1 LYS 277 HG3 -0.06 0.02 -0.21 -0.04 1.46 1.17 3hvnA1 LYS 277 HD2 -0.06 -0.06 -0.73 -0.04 1.69 0.80 3hvnA1 LYS 277 HD3 -0.09 -0.15 -0.21 -0.04 1.68 1.19 3hvnA1 LYS 277 HE2 -0.08 0.48 0.06 -0.04 2.99 3.42 3hvnA1 LYS 277 HE3 -0.06 -0.04 0.05 -0.04 2.99 2.90 3hvnA1 LEU 278 H -0.17 0.78 0.31 -0.55 8.37 8.75 3hvnA1 LEU 278 HA -0.07 0.20 1.01 -0.75 4.35 4.74 3hvnA1 LEU 278 HB2 -0.70 -0.01 0.17 -0.04 1.64 1.06 3hvnA1 LEU 278 HB3 -0.76 -0.02 -0.06 -0.04 1.64 0.76 3hvnA1 LEU 278 HG -0.11 0.02 -0.17 -0.04 1.64 1.34 3hvnA1 LEU 278 HD13 -0.10 -0.03 -0.40 -0.04 0.93 0.36 3hvnA1 LEU 278 HD23 -0.20 -0.01 -0.10 -0.04 0.89 0.53 3hvnA1 GLU 279 H -0.03 0.86 0.39 -0.55 8.60 9.27 3hvnA1 GLU 279 HA 0.00 0.22 1.24 -0.75 4.29 5.00 3hvnA1 GLU 279 HB2 -0.01 -0.08 0.03 -0.04 2.09 2.00 3hvnA1 GLU 279 HB3 -0.05 -0.03 -0.02 -0.04 1.99 1.85 3hvnA1 GLU 279 HG2 -0.02 0.19 0.11 -0.04 2.34 2.58 3hvnA1 GLU 279 HG3 0.02 -0.10 0.10 -0.04 2.34 2.32 3hvnA1 THR 280 H 0.15 0.73 0.45 -0.55 8.28 9.05 3hvnA1 THR 280 HA 0.11 0.36 0.94 -0.75 4.39 5.04 3hvnA1 THR 280 HB 0.26 -0.04 0.08 -0.04 4.32 4.57 3hvnA1 THR 280 HG23 0.08 -0.08 0.03 -0.04 1.22 1.21 3hvnA1 SER 281 H 0.06 0.25 0.21 -0.55 8.46 8.43 3hvnA1 SER 281 HA 0.04 0.17 0.71 -0.75 4.49 4.66 3hvnA1 SER 281 HB2 0.03 -0.03 0.11 -0.04 3.95 4.01 3hvnA1 SER 281 HB3 0.03 -0.03 0.12 -0.04 3.93 4.02 3hvnA1 SER 282 H 0.06 -0.03 -0.66 -0.55 8.46 7.29 3hvnA1 SER 282 HA 0.09 0.04 0.42 -0.75 4.49 4.28 3hvnA1 SER 282 HB2 0.08 -0.09 0.10 -0.04 3.95 4.00 3hvnA1 SER 282 HB3 0.09 -0.09 0.01 -0.04 3.93 3.90 3hvnA1 ARG 283 H -0.01 -0.02 0.12 -0.55 8.46 8.00 3hvnA1 ARG 283 HA -0.02 0.35 0.70 -0.75 4.34 4.63 3hvnA1 ARG 283 HB2 -0.10 -0.04 0.17 -0.04 1.90 1.89 3hvnA1 ARG 283 HB3 -0.08 -0.15 0.23 -0.04 1.80 1.76 3hvnA1 ARG 283 HG2 -0.02 0.06 -0.02 -0.04 1.67 1.64 3hvnA1 ARG 283 HG3 -0.07 -0.07 0.08 -0.04 1.67 1.57 3hvnA1 ARG 283 HD2 -0.06 -0.02 -0.04 -0.04 3.22 3.06 3hvnA1 ARG 283 HD3 -0.02 0.20 0.02 -0.04 3.22 3.37 3hvnA1 SER 284 H -0.05 0.25 0.16 -0.55 8.46 8.27 3hvnA1 SER 284 HA -0.02 0.13 0.71 -0.75 4.49 4.56 3hvnA1 SER 284 HB2 0.01 -0.05 0.26 -0.04 3.95 4.12 3hvnA1 SER 284 HB3 0.01 0.05 0.20 -0.04 3.93 4.15 3hvnA1 THR 285 H -0.11 0.24 -0.58 -0.55 8.28 7.29 3hvnA1 THR 285 HA -0.07 0.21 1.02 -0.75 4.39 4.80 3hvnA1 THR 285 HB -0.24 -0.03 0.11 -0.04 4.32 4.12 3hvnA1 THR 285 HG23 -0.11 0.02 -0.05 -0.04 1.22 1.03 3hvnA1 GLN 286 H -0.05 0.24 0.09 -0.55 8.47 8.20 3hvnA1 GLN 286 HA -0.04 0.02 0.31 -0.75 4.36 3.89 3hvnA1 GLN 286 HB2 -0.06 0.21 0.14 -0.04 2.15 2.40 3hvnA1 GLN 286 HB3 -0.02 -0.02 0.15 -0.04 2.02 2.09 3hvnA1 GLN 286 HG2 -0.04 0.03 -0.05 -0.04 2.40 2.30 3hvnA1 GLN 286 HG3 -0.11 -0.05 -0.52 -0.04 2.39 1.67 3hvnA1 GLN 286 HE21 0.01 -0.00 0.02 -0.04 6.97 6.96 3hvnA1 GLN 286 HE22 -0.01 -0.00 0.02 -0.04 7.69 7.66 3hvnA1 VAL 287 H -0.09 0.10 -0.58 -0.55 8.24 7.12 3hvnA1 VAL 287 HA -0.31 0.09 0.29 -0.75 4.13 3.45 3hvnA1 VAL 287 HB -0.09 -0.05 0.02 -0.04 2.12 1.96 3hvnA1 VAL 287 HG13 -0.36 0.02 -0.27 -0.04 0.97 0.32 3hvnA1 VAL 287 HG23 -0.14 0.03 -0.05 -0.04 0.95 0.74 3hvnA1 GLN 288 H -0.03 0.12 -0.11 -0.55 8.47 7.90 3hvnA1 GLN 288 HA 0.11 0.08 0.30 -0.75 4.36 4.10 3hvnA1 GLN 288 HB2 0.06 0.04 0.08 -0.04 2.15 2.28 3hvnA1 GLN 288 HB3 0.04 -0.08 0.05 -0.04 2.02 1.98 3hvnA1 GLN 288 HG2 0.07 0.06 -0.06 -0.04 2.40 2.43 3hvnA1 GLN 288 HG3 0.11 -0.01 -0.12 -0.04 2.39 2.33 3hvnA1 GLN 288 HE21 0.11 -0.04 -0.05 -0.04 6.97 6.96 3hvnA1 GLN 288 HE22 0.12 0.03 -0.08 -0.04 7.69 7.73 3hvnA1 ALA 289 H 0.00 0.05 -0.24 -0.55 8.40 7.66 3hvnA1 ALA 289 HA 0.03 0.04 0.33 -0.75 4.34 3.99 3hvnA1 ALA 289 HB3 0.00 0.03 0.04 -0.04 1.41 1.44 3hvnA1 ALA 290 H -0.06 0.58 -0.22 -0.55 8.40 8.15 3hvnA1 ALA 290 HA -0.01 -0.02 0.36 -0.75 4.34 3.92 3hvnA1 ALA 290 HB3 -0.15 0.02 0.09 -0.04 1.41 1.33 3hvnA1 PHE 291 H -0.12 0.71 -0.04 -0.55 8.34 8.34 3hvnA1 PHE 291 HA 0.03 -0.01 0.33 -0.75 4.62 4.22 3hvnA1 PHE 291 HB2 0.06 0.08 0.11 -0.04 3.15 3.35 3hvnA1 PHE 291 HB3 0.07 -0.02 -0.09 -0.04 3.06 2.97 3hvnA1 PHE 291 HD2 0.03 -0.05 -0.13 -0.04 7.28 7.09 3hvnA1 PHE 291 HE2 0.02 0.00 -0.21 -0.04 7.38 7.15 3hvnA1 PHE 291 HZ 0.02 0.07 -0.15 -0.04 7.32 7.22 3hvnA1 LYS 292 H 0.19 0.73 -0.01 -0.55 8.42 8.77 3hvnA1 LYS 292 HA 0.20 0.01 0.31 -0.75 4.32 4.09 3hvnA1 LYS 292 HB2 0.15 0.01 0.04 -0.04 1.87 2.02 3hvnA1 LYS 292 HB3 0.05 -0.01 0.09 -0.04 1.79 1.88 3hvnA1 LYS 292 HG2 -0.11 0.02 -0.17 -0.04 1.46 1.17 3hvnA1 LYS 292 HG3 -0.01 -0.01 -0.02 -0.04 1.46 1.37 3hvnA1 LYS 292 HD2 0.12 -0.03 -0.06 -0.04 1.69 1.68 3hvnA1 LYS 292 HD3 0.03 -0.02 -0.06 -0.04 1.68 1.59 3hvnA1 LYS 292 HE2 -0.08 0.02 -0.05 -0.04 2.99 2.85 3hvnA1 LYS 292 HE3 0.08 0.01 -0.04 -0.04 2.99 3.00 3hvnA1 ALA 293 H 0.04 0.69 -0.02 -0.55 8.40 8.56 3hvnA1 ALA 293 HA -0.03 0.01 0.36 -0.75 4.34 3.92 3hvnA1 ALA 293 HB3 0.00 -0.00 0.05 -0.04 1.41 1.42 3hvnA1 ALA 294 H 0.06 0.58 -0.35 -0.55 8.40 8.15 3hvnA1 ALA 294 HA 0.00 -0.11 0.44 -0.75 4.34 3.92 3hvnA1 ALA 294 HB3 0.08 0.02 0.10 -0.04 1.41 1.57 3hvnA1 ILE 295 H 0.06 0.73 0.05 -0.55 8.25 8.54 3hvnA1 ILE 295 HA -0.08 -0.00 0.36 -0.75 4.18 3.71 3hvnA1 ILE 295 HB 0.15 0.07 0.09 -0.04 1.89 2.16 3hvnA1 ILE 295 HG12 0.07 0.13 0.02 -0.04 1.49 1.68 3hvnA1 ILE 295 HG13 0.14 -0.07 -0.10 -0.04 1.21 1.13 3hvnA1 ILE 295 HG23 0.14 -0.01 -0.16 -0.04 0.93 0.86 3hvnA1 ILE 295 HD13 -0.08 -0.01 -0.09 -0.04 0.88 0.65 3hvnA1 LYS 296 H -0.06 0.62 -0.20 -0.55 8.42 8.23 3hvnA1 LYS 296 HA -0.07 0.06 0.40 -0.75 4.32 3.96 3hvnA1 LYS 296 HB2 -0.08 -0.01 0.04 -0.04 1.87 1.78 3hvnA1 LYS 296 HB3 -0.07 -0.04 -0.00 -0.04 1.79 1.63 3hvnA1 LYS 296 HG2 -0.26 -0.00 -0.04 -0.04 1.46 1.12 3hvnA1 LYS 296 HG3 -0.31 0.11 -0.04 -0.04 1.46 1.19 3hvnA1 LYS 296 HD2 -0.13 -0.06 -0.12 -0.04 1.69 1.34 3hvnA1 LYS 296 HD3 -0.12 0.00 -0.04 -0.04 1.68 1.49 3hvnA1 LYS 296 HE2 -0.33 0.03 -0.04 -0.04 2.99 2.61 3hvnA1 LYS 296 HE3 -0.41 -0.04 -0.07 -0.04 2.99 2.43 3hvnA1 GLY 297 H -0.05 0.32 -0.63 -0.55 8.43 7.52 3hvnA1 GLY 297 HA2 -0.04 -0.09 0.37 -0.51 4.01 3.75 3hvnA1 GLY 297 HA3 -0.05 0.04 0.31 -0.51 4.01 3.80 3hvnA1 VAL 298 H -0.02 0.20 -0.06 -0.55 8.24 7.80 3hvnA1 VAL 298 HA -0.02 0.29 0.84 -0.75 4.13 4.49 3hvnA1 VAL 298 HB -0.01 -0.00 0.15 -0.04 2.12 2.21 3hvnA1 VAL 298 HG13 -0.03 0.03 -0.17 -0.04 0.97 0.76 3hvnA1 VAL 298 HG23 -0.02 0.01 -0.01 -0.04 0.95 0.88 3hvnA1 ASP 299 H -0.02 0.22 -0.38 -0.55 8.40 7.67 3hvnA1 ASP 299 HA -0.01 -0.02 0.25 -0.75 4.63 4.10 3hvnA1 ASP 299 HB2 -0.01 -0.04 0.10 -0.04 2.71 2.72 3hvnA1 ASP 299 HB3 -0.01 0.04 -0.23 -0.04 2.70 2.47 3hvnA1 ILE 300 H -0.01 0.02 -0.45 -0.55 8.25 7.26 3hvnA1 ILE 300 HA -0.00 0.17 0.17 -0.75 4.18 3.76 3hvnA1 ILE 300 HB -0.00 0.03 -0.08 -0.04 1.89 1.79 3hvnA1 ILE 300 HG12 0.00 -0.01 -0.13 -0.04 1.49 1.30 3hvnA1 ILE 300 HG13 0.00 -0.02 -0.33 -0.04 1.21 0.82 3hvnA1 ILE 300 HG23 -0.00 -0.01 -0.16 -0.04 0.93 0.71 3hvnA1 ILE 300 HD13 0.00 0.02 -0.04 -0.04 0.88 0.82 3hvnA1 SER 301 H -0.01 -0.04 -0.57 -0.55 8.46 7.30 3hvnA1 SER 301 HA -0.01 -0.03 0.25 -0.75 4.49 3.95 3hvnA1 SER 301 HB2 -0.01 -0.03 0.01 -0.04 3.95 3.87 3hvnA1 SER 301 HB3 -0.01 0.01 -0.03 -0.04 3.93 3.86 3hvnA1 GLY 302 H -0.01 0.43 -0.21 -0.55 8.43 8.10 3hvnA1 GLY 302 HA2 -0.00 -0.07 0.48 -0.51 4.01 3.90 3hvnA1 GLY 302 HA3 -0.00 0.04 0.27 -0.51 4.01 3.81 3hvnA1 ASN 303 H -0.00 0.07 0.19 -0.55 8.53 8.24 3hvnA1 ASN 303 HA 0.00 -0.03 0.29 -0.75 4.76 4.27 3hvnA1 ASN 303 HB2 0.00 -0.06 -0.10 -0.04 2.88 2.68 3hvnA1 ASN 303 HB3 0.00 0.23 0.09 -0.04 2.79 3.07 3hvnA1 ASN 303 HD21 0.01 -0.03 0.03 -0.04 7.03 6.99 3hvnA1 ASN 303 HD22 0.00 0.03 0.02 -0.04 7.74 7.75 3hvnA1 ALA 304 H -0.00 0.26 -0.19 -0.55 8.40 7.91 3hvnA1 ALA 304 HA 0.01 0.09 0.59 -0.75 4.34 4.28 3hvnA1 ALA 304 HB3 -0.01 0.05 -0.07 -0.04 1.41 1.35 3hvnA1 GLU 305 H 0.02 0.26 0.07 -0.55 8.60 8.41 3hvnA1 GLU 305 HA 0.03 0.06 0.29 -0.75 4.29 3.92 3hvnA1 GLU 305 HB2 0.06 -0.13 0.17 -0.04 2.09 2.15 3hvnA1 GLU 305 HB3 0.06 0.00 0.03 -0.04 1.99 2.04 3hvnA1 GLU 305 HG2 0.02 0.01 0.03 -0.04 2.34 2.36 3hvnA1 GLU 305 HG3 0.02 0.13 0.11 -0.04 2.34 2.56 3hvnA1 TYR 306 H 0.13 0.14 -0.05 -0.55 8.29 7.96 3hvnA1 TYR 306 HA -0.01 0.17 0.89 -0.75 4.56 4.85 3hvnA1 TYR 306 HB2 -0.02 0.04 0.05 -0.04 3.06 3.09 3hvnA1 TYR 306 HB3 -0.03 0.02 0.20 -0.04 2.98 3.13 3hvnA1 TYR 306 HD2 -0.03 0.03 -0.01 -0.04 7.15 7.10 3hvnA1 TYR 306 HE2 -0.03 0.02 -0.01 -0.04 6.85 6.79 3hvnA1 GLN 307 H -0.17 0.36 0.02 -0.55 8.47 8.14 3hvnA1 GLN 307 HA -0.05 0.17 0.77 -0.75 4.36 4.49 3hvnA1 GLN 307 HB2 -0.04 0.18 -0.11 -0.04 2.15 2.14 3hvnA1 GLN 307 HB3 -0.08 0.06 -0.01 -0.04 2.02 1.96 3hvnA1 GLN 307 HG2 -0.04 -0.14 0.08 -0.04 2.40 2.25 3hvnA1 GLN 307 HG3 -0.02 0.01 0.01 -0.04 2.39 2.34 3hvnA1 GLN 307 HE21 -0.02 0.01 -0.01 -0.04 6.97 6.91 3hvnA1 GLN 307 HE22 -0.01 -0.04 -0.05 -0.04 7.69 7.54 3hvnA1 ASP 308 H -0.61 0.14 -0.07 -0.55 8.40 7.31 3hvnA1 ASP 308 HA -0.19 0.12 0.40 -0.75 4.63 4.21 3hvnA1 ASP 308 HB2 -1.00 -0.02 0.02 -0.04 2.71 1.68 3hvnA1 ASP 308 HB3 -0.23 0.08 -0.02 -0.04 2.70 2.49 3hvnA1 ILE 309 H -0.13 0.14 -0.44 -0.55 8.25 7.27 3hvnA1 ILE 309 HA 0.03 0.09 0.37 -0.75 4.18 3.92 3hvnA1 ILE 309 HB -0.07 0.04 -0.03 -0.04 1.89 1.79 3hvnA1 ILE 309 HG12 -0.01 0.08 -0.44 -0.04 1.49 1.08 3hvnA1 ILE 309 HG13 -0.14 0.02 -0.10 -0.04 1.21 0.95 3hvnA1 ILE 309 HG23 0.19 -0.00 -0.05 -0.04 0.93 1.03 3hvnA1 ILE 309 HD13 0.02 -0.06 -0.00 -0.04 0.88 0.80 3hvnA1 LEU 310 H -0.03 0.16 -0.27 -0.55 8.37 7.68 3hvnA1 LEU 310 HA 0.06 0.09 0.48 -0.75 4.35 4.23 3hvnA1 LEU 310 HB2 -0.01 0.11 0.12 -0.04 1.64 1.81 3hvnA1 LEU 310 HB3 0.01 -0.02 0.03 -0.04 1.64 1.61 3hvnA1 LEU 310 HG 0.01 -0.05 -0.03 -0.04 1.64 1.53 3hvnA1 LEU 310 HD13 0.00 0.01 -0.07 -0.04 0.93 0.84 3hvnA1 LEU 310 HD23 0.08 0.03 -0.07 -0.04 0.89 0.88 3hvnA1 LYS 311 H -0.04 0.40 -0.20 -0.55 8.42 8.02 3hvnA1 LYS 311 HA -0.01 0.07 0.72 -0.75 4.32 4.36 3hvnA1 LYS 311 HB2 -0.06 0.02 0.09 -0.04 1.87 1.88 3hvnA1 LYS 311 HB3 -0.03 -0.01 0.12 -0.04 1.79 1.83 3hvnA1 LYS 311 HG2 -0.05 0.07 -0.08 -0.04 1.46 1.36 3hvnA1 LYS 311 HG3 -0.05 -0.02 -0.03 -0.04 1.46 1.32 3hvnA1 LYS 311 HD2 -0.02 -0.00 0.04 -0.04 1.69 1.67 3hvnA1 LYS 311 HD3 -0.02 0.03 -0.08 -0.04 1.68 1.57 3hvnA1 LYS 311 HE2 -0.03 -0.01 -0.06 -0.04 2.99 2.85 3hvnA1 LYS 311 HE3 -0.03 0.01 -0.02 -0.04 2.99 2.90 3hvnA1 ASN 312 H 0.02 0.15 -0.69 -0.55 8.53 7.45 3hvnA1 ASN 312 HA 0.03 0.17 0.84 -0.75 4.76 5.04 3hvnA1 ASN 312 HB2 0.03 -0.01 0.16 -0.04 2.88 3.02 3hvnA1 ASN 312 HB3 0.04 -0.17 0.27 -0.04 2.79 2.88 3hvnA1 ASN 312 HD21 -0.01 -0.04 -0.06 -0.04 7.03 6.88 3hvnA1 ASN 312 HD22 0.01 -0.10 -0.13 -0.04 7.74 7.49 3hvnA1 THR 313 H 0.06 0.13 -0.29 -0.55 8.28 7.64 3hvnA1 THR 313 HA 0.15 0.27 0.89 -0.75 4.39 4.95 3hvnA1 THR 313 HB 0.11 -0.06 0.05 -0.04 4.32 4.38 3hvnA1 THR 313 HG23 0.35 0.09 -0.14 -0.04 1.22 1.48 3hvnA1 SER 314 H 0.08 0.71 0.40 -0.55 8.46 9.10 3hvnA1 SER 314 HA 0.10 0.10 1.07 -0.75 4.49 5.01 3hvnA1 SER 314 HB2 -0.01 0.05 0.08 -0.04 3.95 4.03 3hvnA1 SER 314 HB3 0.02 -0.07 0.06 -0.04 3.93 3.91 3hvnA1 PHE 315 H 0.16 0.57 0.31 -0.55 8.34 8.83 3hvnA1 PHE 315 HA -0.07 0.33 1.21 -0.75 4.62 5.33 3hvnA1 PHE 315 HB2 -0.07 0.06 -0.01 -0.04 3.15 3.08 3hvnA1 PHE 315 HB3 -0.05 -0.09 -0.21 -0.04 3.06 2.67 3hvnA1 PHE 315 HD2 -0.03 -0.04 -0.44 -0.04 7.28 6.73 3hvnA1 PHE 315 HE2 -0.03 -0.06 -0.19 -0.04 7.38 7.07 3hvnA1 PHE 315 HZ -0.03 0.04 -0.38 -0.04 7.32 6.90 3hvnA1 SER 316 H 0.05 0.58 0.37 -0.55 8.46 8.91 3hvnA1 SER 316 HA -0.47 0.13 0.74 -0.75 4.49 4.14 3hvnA1 SER 316 HB2 -0.13 0.03 0.02 -0.04 3.95 3.83 3hvnA1 SER 316 HB3 -0.17 -0.01 -0.00 -0.04 3.93 3.70 3hvnA1 ALA 317 H -0.06 0.69 0.24 -0.55 8.40 8.72 3hvnA1 ALA 317 HA 0.13 0.26 1.17 -0.75 4.34 5.15 3hvnA1 ALA 317 HB3 0.24 -0.01 -0.07 -0.04 1.41 1.53 3hvnA1 TYR 318 H 0.23 0.81 0.33 -0.55 8.29 9.10 3hvnA1 TYR 318 HA 0.05 0.18 1.01 -0.75 4.56 5.05 3hvnA1 TYR 318 HB2 -0.04 -0.02 0.01 -0.04 3.06 2.98 3hvnA1 TYR 318 HB3 0.04 0.00 0.25 -0.04 2.98 3.23 3hvnA1 TYR 318 HD2 0.14 -0.04 -0.11 -0.04 7.15 7.10 3hvnA1 TYR 318 HE2 0.03 0.05 -0.10 -0.04 6.85 6.79 3hvnA1 ILE 319 H -0.17 0.78 0.37 -0.55 8.25 8.68 3hvnA1 ILE 319 HA 0.03 0.30 1.24 -0.75 4.18 5.00 3hvnA1 ILE 319 HB -0.01 0.08 0.06 -0.04 1.89 1.98 3hvnA1 ILE 319 HG12 -0.00 -0.01 -0.03 -0.04 1.49 1.40 3hvnA1 ILE 319 HG13 -0.05 -0.10 0.17 -0.04 1.21 1.18 3hvnA1 ILE 319 HG23 0.04 0.01 -0.22 -0.04 0.93 0.72 3hvnA1 ILE 319 HD13 0.01 0.00 -0.23 -0.04 0.88 0.63 3hvnA1 PHE 320 H -0.26 0.83 0.43 -0.55 8.34 8.79 3hvnA1 PHE 320 HA -0.03 0.02 0.55 -0.75 4.62 4.39 3hvnA1 PHE 320 HB2 0.01 -0.03 0.05 -0.04 3.15 3.14 3hvnA1 PHE 320 HB3 -0.11 -0.00 0.05 -0.04 3.06 2.95 3hvnA1 PHE 320 HD2 0.14 -0.05 -0.26 -0.04 7.28 7.07 3hvnA1 PHE 320 HE2 0.27 0.04 -0.06 -0.04 7.38 7.59 3hvnA1 PHE 320 HZ 0.25 0.25 -0.21 -0.04 7.32 7.57 3hvnA1 GLY 321 H 0.15 0.16 0.18 -0.55 8.43 8.39 3hvnA1 GLY 321 HA2 0.15 0.04 0.50 -0.51 4.01 4.19 3hvnA1 GLY 321 HA3 0.07 0.29 1.09 -0.51 4.01 4.95 3hvnA1 GLY 322 H 0.12 0.14 0.12 -0.55 8.43 8.28 3hvnA1 GLY 322 HA2 0.08 0.05 0.40 -0.51 4.01 4.03 3hvnA1 GLY 322 HA3 0.17 0.17 0.53 -0.51 4.01 4.37 3hvnA1 ASP 323 H 0.10 0.46 0.15 -0.55 8.40 8.56 3hvnA1 ASP 323 HA 0.11 0.08 0.38 -0.75 4.63 4.45 3hvnA1 ASP 323 HB2 0.07 -0.02 0.03 -0.04 2.71 2.76 3hvnA1 ASP 323 HB3 0.08 0.05 0.10 -0.04 2.70 2.90 3hvnA1 ALA 324 H 0.07 0.14 -0.37 -0.55 8.40 7.70 3hvnA1 ALA 324 HA 0.05 0.17 0.53 -0.75 4.34 4.33 3hvnA1 ALA 324 HB3 0.04 0.03 -0.05 -0.04 1.41 1.39 3hvnA1 GLY 325 H 0.04 0.20 0.01 -0.55 8.43 8.14 3hvnA1 GLY 325 HA2 0.09 0.16 0.76 -0.51 4.01 4.51 3hvnA1 GLY 325 HA3 0.06 0.10 0.28 -0.51 4.01 3.94 3hvnA1 SER 326 H 0.05 0.07 -0.33 -0.55 8.46 7.70 3hvnA1 SER 326 HA 0.03 0.24 0.86 -0.75 4.49 4.87 3hvnA1 SER 326 HB2 0.02 0.02 -0.01 -0.04 3.95 3.93 3hvnA1 SER 326 HB3 0.02 0.06 -0.12 -0.04 3.93 3.85 3hvnA1 ALA 327 H 0.03 0.09 0.11 -0.55 8.40 8.08 3hvnA1 ALA 327 HA 0.00 0.18 0.95 -0.75 4.34 4.72 3hvnA1 ALA 327 HB3 0.00 0.01 0.05 -0.04 1.41 1.43 3hvnA1 ALA 328 H -0.03 0.08 0.19 -0.55 8.40 8.09 3hvnA1 ALA 328 HA -0.01 0.19 0.95 -0.75 4.34 4.71 3hvnA1 ALA 328 HB3 -0.30 0.02 0.09 -0.04 1.41 1.18 3hvnA1 THR 329 H -0.20 0.81 0.40 -0.55 8.28 8.74 3hvnA1 THR 329 HA -0.07 0.13 1.01 -0.75 4.39 4.71 3hvnA1 THR 329 HB -0.04 -0.00 0.07 -0.04 4.32 4.31 3hvnA1 THR 329 HG23 -0.02 -0.00 -0.17 -0.04 1.22 0.99 3hvnA1 VAL 330 H -0.04 0.18 0.18 -0.55 8.24 8.01 3hvnA1 VAL 330 HA -0.01 0.37 1.17 -0.75 4.13 4.91 3hvnA1 VAL 330 HB -0.00 -0.04 0.15 -0.04 2.12 2.18 3hvnA1 VAL 330 HG13 -0.00 0.00 -0.20 -0.04 0.97 0.73 3hvnA1 VAL 330 HG23 0.12 -0.01 -0.08 -0.04 0.95 0.93 3hvnA1 VAL 331 H -0.01 0.73 0.29 -0.55 8.24 8.70 3hvnA1 VAL 331 HA -0.07 0.16 1.03 -0.75 4.13 4.50 3hvnA1 VAL 331 HB 0.07 -0.03 0.07 -0.04 2.12 2.20 3hvnA1 VAL 331 HG13 0.01 -0.01 -0.21 -0.04 0.97 0.72 3hvnA1 VAL 331 HG23 0.00 0.00 -0.28 -0.04 0.95 0.64 3hvnA1 SER 332 H -0.16 0.17 0.16 -0.55 8.46 8.09 3hvnA1 SER 332 HA -0.58 0.20 1.09 -0.75 4.49 4.45 3hvnA1 SER 332 HB2 -0.15 -0.06 0.12 -0.04 3.95 3.82 3hvnA1 SER 332 HB3 -0.21 0.07 0.15 -0.04 3.93 3.90 3hvnA1 GLY 333 H -0.71 0.84 0.35 -0.55 8.43 8.36 3hvnA1 GLY 333 HA2 -0.11 0.03 0.36 -0.51 4.01 3.78 3hvnA1 GLY 333 HA3 -0.10 0.01 0.50 -0.51 4.01 3.91 3hvnA1 ASN 334 H 0.21 0.10 0.18 -0.55 8.53 8.48 3hvnA1 ASN 334 HA 0.17 0.32 1.00 -0.75 4.76 5.51 3hvnA1 ASN 334 HB2 0.06 0.05 0.06 -0.04 2.88 3.01 3hvnA1 ASN 334 HB3 0.08 -0.16 0.09 -0.04 2.79 2.76 3hvnA1 ASN 334 HD21 0.02 0.10 0.04 -0.04 7.03 7.16 3hvnA1 ASN 334 HD22 0.03 -0.02 0.04 -0.04 7.74 7.74 3hvnA1 ILE 335 H 0.10 0.52 0.32 -0.55 8.25 8.64 3hvnA1 ILE 335 HA -0.05 0.07 0.43 -0.75 4.18 3.87 3hvnA1 ILE 335 HB 0.04 0.09 0.29 -0.04 1.89 2.27 3hvnA1 ILE 335 HG12 0.00 0.04 0.05 -0.04 1.49 1.54 3hvnA1 ILE 335 HG13 -0.03 -0.06 -0.34 -0.04 1.21 0.74 3hvnA1 ILE 335 HG23 0.02 0.00 0.21 -0.04 0.93 1.13 3hvnA1 ILE 335 HD13 -0.03 -0.01 0.01 -0.04 0.88 0.81 3hvnA1 GLU 336 H 0.01 0.14 -0.08 -0.55 8.60 8.13 3hvnA1 GLU 336 HA -0.04 0.06 0.39 -0.75 4.29 3.95 3hvnA1 GLU 336 HB2 0.01 -0.03 0.06 -0.04 2.09 2.09 3hvnA1 GLU 336 HB3 -0.01 0.05 0.04 -0.04 1.99 2.02 3hvnA1 GLU 336 HG2 -0.01 0.05 0.04 -0.04 2.34 2.39 3hvnA1 GLU 336 HG3 -0.01 0.01 0.06 -0.04 2.34 2.36 3hvnA1 THR 337 H 0.05 0.03 -0.18 -0.55 8.28 7.64 3hvnA1 THR 337 HA 0.02 0.03 0.35 -0.75 4.39 4.04 3hvnA1 THR 337 HB 0.42 0.10 0.07 -0.04 4.32 4.87 3hvnA1 THR 337 HG23 0.16 0.03 -0.08 -0.04 1.22 1.29 3hvnA1 LEU 338 H -0.26 0.54 -0.31 -0.55 8.37 7.78 3hvnA1 LEU 338 HA -0.80 0.03 0.40 -0.75 4.35 3.23 3hvnA1 LEU 338 HB2 -2.34 -0.05 -0.07 -0.04 1.64 -0.87 3hvnA1 LEU 338 HB3 -0.56 0.20 0.16 -0.04 1.64 1.39 3hvnA1 LEU 338 HG -0.42 0.04 -0.27 -0.04 1.64 0.94 3hvnA1 LEU 338 HD13 -0.59 -0.02 -0.06 -0.04 0.93 0.22 3hvnA1 LEU 338 HD23 -0.34 -0.02 -0.14 -0.04 0.89 0.35 3hvnA1 LYS 339 H -0.20 0.59 0.09 -0.55 8.42 8.35 3hvnA1 LYS 339 HA -0.16 0.08 0.44 -0.75 4.32 3.92 3hvnA1 LYS 339 HB2 -0.08 0.04 0.27 -0.04 1.87 2.05 3hvnA1 LYS 339 HB3 -0.08 -0.03 0.05 -0.04 1.79 1.70 3hvnA1 LYS 339 HG2 -0.09 0.06 0.04 -0.04 1.46 1.44 3hvnA1 LYS 339 HG3 -0.11 0.17 0.01 -0.04 1.46 1.49 3hvnA1 LYS 339 HD2 -0.04 -0.08 -0.01 -0.04 1.69 1.52 3hvnA1 LYS 339 HD3 -0.04 -0.01 0.01 -0.04 1.68 1.60 3hvnA1 LYS 339 HE2 -0.03 0.02 -0.01 -0.04 2.99 2.92 3hvnA1 LYS 339 HE3 -0.03 -0.01 -0.09 -0.04 2.99 2.81 3hvnA1 LYS 340 H -0.08 0.66 0.04 -0.55 8.42 8.49 3hvnA1 LYS 340 HA -0.05 -0.01 0.35 -0.75 4.32 3.85 3hvnA1 LYS 340 HB2 -0.04 0.07 0.03 -0.04 1.87 1.89 3hvnA1 LYS 340 HB3 -0.04 -0.01 0.02 -0.04 1.79 1.72 3hvnA1 LYS 340 HG2 -0.03 -0.02 0.02 -0.04 1.46 1.39 3hvnA1 LYS 340 HG3 -0.04 0.03 0.04 -0.04 1.46 1.45 3hvnA1 LYS 340 HD2 -0.02 -0.03 -0.07 -0.04 1.69 1.53 3hvnA1 LYS 340 HD3 -0.02 0.02 -0.02 -0.04 1.68 1.61 3hvnA1 LYS 340 HE2 -0.02 0.01 -0.02 -0.04 2.99 2.93 3hvnA1 LYS 340 HE3 -0.02 -0.04 -0.03 -0.04 2.99 2.86 3hvnA1 ILE 341 H -0.11 0.33 -0.67 -0.55 8.25 7.26 3hvnA1 ILE 341 HA -0.05 0.02 0.46 -0.75 4.18 3.86 3hvnA1 ILE 341 HB -0.01 0.46 0.18 -0.04 1.89 2.47 3hvnA1 ILE 341 HG12 0.00 -0.02 -0.04 -0.04 1.49 1.39 3hvnA1 ILE 341 HG13 0.02 -0.04 -0.03 -0.04 1.21 1.11 3hvnA1 ILE 341 HG23 -0.10 0.08 -0.09 -0.04 0.93 0.79 3hvnA1 ILE 341 HD13 0.15 -0.02 -0.11 -0.04 0.88 0.86 3hvnA1 ILE 342 H -0.16 0.71 0.06 -0.55 8.25 8.31 3hvnA1 ILE 342 HA -0.12 0.06 0.49 -0.75 4.18 3.85 3hvnA1 ILE 342 HB -0.40 -0.02 0.03 -0.04 1.89 1.45 3hvnA1 ILE 342 HG12 -0.18 0.24 0.33 -0.04 1.49 1.84 3hvnA1 ILE 342 HG13 -0.16 -0.04 -0.11 -0.04 1.21 0.86 3hvnA1 ILE 342 HG23 -0.30 0.07 0.01 -0.04 0.93 0.67 3hvnA1 ILE 342 HD13 -0.24 -0.03 0.01 -0.04 0.88 0.57 3hvnA1 GLU 343 H -0.09 0.72 -0.00 -0.55 8.60 8.69 3hvnA1 GLU 343 HA -0.01 0.06 0.47 -0.75 4.29 4.05 3hvnA1 GLU 343 HB2 -0.03 0.00 0.06 -0.04 2.09 2.08 3hvnA1 GLU 343 HB3 -0.01 -0.04 0.02 -0.04 1.99 1.92 3hvnA1 GLU 343 HG2 -0.07 0.27 0.03 -0.04 2.34 2.53 3hvnA1 GLU 343 HG3 -0.04 -0.09 -0.05 -0.04 2.34 2.12 3hvnA1 GLU 344 H -0.04 0.55 -0.29 -0.55 8.60 8.28 3hvnA1 GLU 344 HA 0.03 0.05 0.56 -0.75 4.29 4.18 3hvnA1 GLU 344 HB2 -0.09 0.17 0.14 -0.04 2.09 2.27 3hvnA1 GLU 344 HB3 -0.24 -0.08 0.11 -0.04 1.99 1.75 3hvnA1 GLU 344 HG2 -0.07 -0.06 0.01 -0.04 2.34 2.19 3hvnA1 GLU 344 HG3 -0.04 -0.03 0.06 -0.04 2.34 2.28 3hvnA1 GLY 345 H 0.00 0.15 -0.81 -0.55 8.43 7.22 3hvnA1 GLY 345 HA2 0.07 0.08 0.76 -0.51 4.01 4.41 3hvnA1 GLY 345 HA3 0.03 0.08 0.30 -0.51 4.01 3.91 3hvnA1 ALA 346 H 0.07 0.19 -0.25 -0.55 8.40 7.87 3hvnA1 ALA 346 HA 0.14 0.12 0.64 -0.75 4.34 4.49 3hvnA1 ALA 346 HB3 0.09 0.02 0.10 -0.04 1.41 1.58 3hvnA1 ARG 347 H 0.12 0.31 0.03 -0.55 8.46 8.37 3hvnA1 ARG 347 HA 0.16 0.17 0.72 -0.75 4.34 4.64 3hvnA1 ARG 347 HB2 0.09 0.02 0.19 -0.04 1.90 2.16 3hvnA1 ARG 347 HB3 0.10 0.01 0.03 -0.04 1.80 1.89 3hvnA1 ARG 347 HG2 0.09 -0.04 0.13 -0.04 1.67 1.81 3hvnA1 ARG 347 HG3 0.09 0.04 0.04 -0.04 1.67 1.80 3hvnA1 ARG 347 HD2 0.05 -0.03 0.03 -0.04 3.22 3.23 3hvnA1 ARG 347 HD3 0.06 0.02 0.01 -0.04 3.22 3.28 3hvnA1 TYR 348 H 0.24 0.03 -0.63 -0.55 8.29 7.38 3hvnA1 TYR 348 HA 0.08 0.18 0.83 -0.75 4.56 4.90 3hvnA1 TYR 348 HB2 0.05 -0.10 -0.10 -0.04 3.06 2.86 3hvnA1 TYR 348 HB3 0.06 0.17 -0.06 -0.04 2.98 3.11 3hvnA1 TYR 348 HD2 0.04 -0.01 -0.05 -0.04 7.15 7.09 3hvnA1 TYR 348 HE2 0.01 -0.05 0.02 -0.04 6.85 6.79 3hvnA1 GLY 349 H 0.22 -0.01 -0.27 -0.55 8.43 7.82 3hvnA1 GLY 349 HA2 0.16 0.11 0.26 -0.51 4.01 4.03 3hvnA1 GLY 349 HA3 0.13 -0.01 0.24 -0.51 4.01 3.86 3hvnA1 LYS 350 H -0.18 0.19 0.13 -0.55 8.42 8.01 3hvnA1 LYS 350 HA -0.35 0.10 0.76 -0.75 4.32 4.08 3hvnA1 LYS 350 HB2 -0.69 -0.17 0.13 -0.04 1.87 1.10 3hvnA1 LYS 350 HB3 -0.77 0.14 -0.19 -0.04 1.79 0.92 3hvnA1 LYS 350 HG2 -0.16 0.16 -0.04 -0.04 1.46 1.38 3hvnA1 LYS 350 HG3 -0.23 -0.10 -0.28 -0.04 1.46 0.82 3hvnA1 LYS 350 HD2 -0.11 0.04 -0.05 -0.04 1.69 1.54 3hvnA1 LYS 350 HD3 -0.27 -0.10 -0.02 -0.04 1.68 1.25 3hvnA1 LYS 350 HE2 -0.40 0.02 -0.08 -0.04 2.99 2.49 3hvnA1 LYS 350 HE3 -0.02 0.10 -0.07 -0.04 2.99 2.97 3hvnA1 LEU 351 H -0.34 0.32 0.33 -0.55 8.37 8.14 3hvnA1 LEU 351 HA -0.30 0.11 0.85 -0.75 4.35 4.25 3hvnA1 LEU 351 HB2 -0.18 -0.10 -0.08 -0.04 1.64 1.24 3hvnA1 LEU 351 HB3 -0.12 0.20 0.22 -0.04 1.64 1.90 3hvnA1 LEU 351 HG 0.01 0.03 -0.03 -0.04 1.64 1.60 3hvnA1 LEU 351 HD13 -0.11 -0.01 -0.13 -0.04 0.93 0.65 3hvnA1 LEU 351 HD23 0.11 -0.04 0.01 -0.04 0.89 0.93 3hvnA1 ASN 352 H -0.24 -0.02 0.14 -0.55 8.53 7.86 3hvnA1 ASN 352 HA -0.10 0.06 0.35 -0.75 4.76 4.32 3hvnA1 ASN 352 HB2 -0.15 -0.04 0.08 -0.04 2.88 2.73 3hvnA1 ASN 352 HB3 -0.08 0.03 -0.00 -0.04 2.79 2.69 3hvnA1 ASN 352 HD21 -0.13 0.00 0.00 -0.04 7.03 6.86 3hvnA1 ASN 352 HD22 -0.13 0.02 0.00 -0.04 7.74 7.59 3hvnA1 LEU 353 H -0.08 0.11 -0.30 -0.55 8.37 7.55 3hvnA1 LEU 353 HA 0.01 0.13 0.65 -0.75 4.35 4.38 3hvnA1 LEU 353 HB2 -0.01 -0.08 0.01 -0.04 1.64 1.51 3hvnA1 LEU 353 HB3 0.01 0.06 -0.01 -0.04 1.64 1.66 3hvnA1 LEU 353 HG -0.04 -0.02 -0.52 -0.04 1.64 1.02 3hvnA1 LEU 353 HD13 -0.01 -0.02 -0.05 -0.04 0.93 0.80 3hvnA1 LEU 353 HD23 -0.04 0.03 0.10 -0.04 0.89 0.94 3hvnA1 GLY 354 H 0.18 0.15 0.04 -0.55 8.43 8.25 3hvnA1 GLY 354 HA2 0.10 0.10 0.78 -0.51 4.01 4.48 3hvnA1 GLY 354 HA3 0.16 0.02 0.29 -0.51 4.01 3.97 3hvnA1 VAL 355 H 0.18 0.24 0.28 -0.55 8.24 8.39 3hvnA1 VAL 355 HA 0.24 0.27 0.97 -0.75 4.13 4.85 3hvnA1 VAL 355 HB 0.17 -0.08 0.04 -0.04 2.12 2.21 3hvnA1 VAL 355 HG13 0.32 0.03 -0.20 -0.04 0.97 1.08 3hvnA1 VAL 355 HG23 0.15 0.03 0.00 -0.04 0.95 1.09 3hvnA1 PRO 356 HA -0.46 0.11 0.54 -0.51 4.44 4.12 3hvnA1 PRO 356 HB2 -0.02 -0.01 0.03 -0.04 2.28 2.24 3hvnA1 PRO 356 HB3 -0.24 0.01 -0.00 -0.04 2.02 1.75 3hvnA1 PRO 356 HG2 0.10 0.11 0.09 -0.04 2.03 2.28 3hvnA1 PRO 356 HG3 0.25 0.02 0.05 -0.04 2.03 2.30 3hvnA1 PRO 356 HD2 0.15 0.11 0.21 -0.04 3.68 4.11 3hvnA1 PRO 356 HD3 0.33 0.19 0.22 -0.04 3.65 4.35 3hvnA1 ILE 357 H -0.10 0.40 0.41 -0.55 8.25 8.41 3hvnA1 ILE 357 HA 0.37 0.22 0.87 -0.75 4.18 4.88 3hvnA1 ILE 357 HB -0.04 -0.00 0.04 -0.04 1.89 1.85 3hvnA1 ILE 357 HG12 -0.09 0.04 -0.11 -0.04 1.49 1.29 3hvnA1 ILE 357 HG13 -0.06 0.03 -0.39 -0.04 1.21 0.75 3hvnA1 ILE 357 HG23 -0.01 0.04 -0.25 -0.04 0.93 0.67 3hvnA1 ILE 357 HD13 -0.17 -0.03 -0.38 -0.04 0.88 0.26 3hvnA1 SER 358 H -0.04 0.31 0.30 -0.55 8.46 8.48 3hvnA1 SER 358 HA 0.11 0.20 0.66 -0.75 4.49 4.71 3hvnA1 SER 358 HB2 -0.03 0.05 -0.11 -0.04 3.95 3.81 3hvnA1 SER 358 HB3 0.01 0.13 -0.09 -0.04 3.93 3.94 3hvnA1 TYR 359 H -0.14 0.76 0.31 -0.55 8.29 8.67 3hvnA1 TYR 359 HA -0.08 0.10 0.87 -0.75 4.56 4.69 3hvnA1 TYR 359 HB2 -0.08 0.02 0.11 -0.04 3.06 3.07 3hvnA1 TYR 359 HB3 -0.09 -0.02 -0.23 -0.04 2.98 2.59 3hvnA1 TYR 359 HD2 -0.06 -0.04 -0.23 -0.04 7.15 6.78 3hvnA1 TYR 359 HE2 -0.04 0.01 -0.19 -0.04 6.85 6.58 3hvnA1 SER 360 H 0.05 0.62 0.42 -0.55 8.46 9.01 3hvnA1 SER 360 HA -0.23 0.28 0.97 -0.75 4.49 4.76 3hvnA1 SER 360 HB2 -0.10 0.06 0.14 -0.04 3.95 4.01 3hvnA1 SER 360 HB3 -0.10 0.01 -0.02 -0.04 3.93 3.77 3hvnA1 THR 361 H -0.14 0.36 0.31 -0.55 8.28 8.25 3hvnA1 THR 361 HA -0.23 0.07 1.19 -0.75 4.39 4.66 3hvnA1 THR 361 HB -0.20 0.01 -0.19 -0.04 4.32 3.89 3hvnA1 THR 361 HG23 0.06 -0.02 -0.32 -0.04 1.22 0.90 3hvnA1 ASN 362 H -0.67 0.69 0.36 -0.55 8.53 8.36 3hvnA1 ASN 362 HA -0.12 0.14 0.94 -0.75 4.76 4.96 3hvnA1 ASN 362 HB2 -0.79 0.00 -0.03 -0.04 2.88 2.02 3hvnA1 ASN 362 HB3 -0.02 0.05 -0.30 -0.04 2.79 2.47 3hvnA1 ASN 362 HD21 -0.03 -0.04 -0.10 -0.04 7.03 6.82 3hvnA1 ASN 362 HD22 0.01 0.04 -0.08 -0.04 7.74 7.66 3hvnA1 PHE 363 H 0.30 0.61 0.14 -0.55 8.34 8.85 3hvnA1 PHE 363 HA 0.09 0.16 0.61 -0.75 4.62 4.72 3hvnA1 PHE 363 HB2 0.14 -0.11 0.13 -0.04 3.15 3.27 3hvnA1 PHE 363 HB3 0.25 -0.10 0.05 -0.04 3.06 3.22 3hvnA1 PHE 363 HD2 0.03 0.12 -0.10 -0.04 7.28 7.28 3hvnA1 PHE 363 HE2 -0.05 0.03 -0.13 -0.04 7.38 7.19 3hvnA1 PHE 363 HZ 0.03 0.14 -0.11 -0.04 7.32 7.34 3hvnA1 VAL 364 H 0.29 0.82 0.38 -0.55 8.24 9.19 3hvnA1 VAL 364 HA 0.20 0.11 0.28 -0.75 4.13 3.97 3hvnA1 VAL 364 HB 0.41 -0.00 0.09 -0.04 2.12 2.58 3hvnA1 VAL 364 HG13 -0.31 -0.01 -0.05 -0.04 0.97 0.56 3hvnA1 VAL 364 HG23 0.15 0.03 -0.30 -0.04 0.95 0.79 3hvnA1 LYS 365 H 0.42 0.04 -0.17 -0.55 8.42 8.15 3hvnA1 LYS 365 HA 0.18 0.06 0.38 -0.75 4.32 4.18 3hvnA1 LYS 365 HB2 0.54 0.00 0.12 -0.04 1.87 2.49 3hvnA1 LYS 365 HB3 0.33 -0.15 0.14 -0.04 1.79 2.06 3hvnA1 LYS 365 HG2 0.08 -0.03 -0.25 -0.04 1.46 1.22 3hvnA1 LYS 365 HG3 0.21 0.05 -0.10 -0.04 1.46 1.58 3hvnA1 LYS 365 HD2 -0.06 0.14 0.07 -0.04 1.69 1.80 3hvnA1 LYS 365 HD3 0.06 -0.01 0.09 -0.04 1.68 1.78 3hvnA1 LYS 365 HE2 -0.70 0.04 0.05 -0.04 2.99 2.34 3hvnA1 LYS 365 HE3 -0.20 -0.14 0.03 -0.04 2.99 2.63 3hvnA1 ASP 366 H 0.18 0.00 -0.04 -0.55 8.40 8.00 3hvnA1 ASP 366 HA 0.05 0.28 0.75 -0.75 4.63 4.95 3hvnA1 ASP 366 HB2 0.02 0.03 0.14 -0.04 2.71 2.86 3hvnA1 ASP 366 HB3 0.00 0.06 0.00 -0.04 2.70 2.72 3hvnA1 ASN 367 H 0.18 0.26 -0.44 -0.55 8.53 7.97 3hvnA1 ASN 367 HA 0.24 0.21 0.19 -0.75 4.76 4.65 3hvnA1 ASN 367 HB2 0.09 0.11 -0.30 -0.04 2.88 2.73 3hvnA1 ASN 367 HB3 0.13 -0.08 0.14 -0.04 2.79 2.95 3hvnA1 ASN 367 HD21 0.02 0.18 -0.13 -0.04 7.03 7.06 3hvnA1 ASN 367 HD22 0.08 -0.09 -0.12 -0.04 7.74 7.57 3hvnA1 ARG 368 H 0.18 -0.11 -0.42 -0.55 8.46 7.55 3hvnA1 ARG 368 HA 0.08 0.21 0.59 -0.75 4.34 4.47 3hvnA1 ARG 368 HB2 0.03 0.06 0.03 -0.04 1.90 1.98 3hvnA1 ARG 368 HB3 0.07 -0.14 0.03 -0.04 1.80 1.71 3hvnA1 ARG 368 HG2 0.13 -0.12 -0.28 -0.04 1.67 1.35 3hvnA1 ARG 368 HG3 0.11 0.24 -0.28 -0.04 1.67 1.70 3hvnA1 ARG 368 HD2 0.02 0.03 -0.02 -0.04 3.22 3.21 3hvnA1 ARG 368 HD3 -0.00 0.02 0.01 -0.04 3.22 3.20 3hvnA1 PRO 369 HA 0.00 0.14 0.56 -0.51 4.44 4.64 3hvnA1 PRO 369 HB2 0.03 -0.04 0.08 -0.04 2.28 2.30 3hvnA1 PRO 369 HB3 -0.00 0.03 0.06 -0.04 2.02 2.06 3hvnA1 PRO 369 HG2 0.02 0.01 0.09 -0.04 2.03 2.11 3hvnA1 PRO 369 HG3 0.01 0.08 0.09 -0.04 2.03 2.18 3hvnA1 PRO 369 HD2 0.05 0.05 0.22 -0.04 3.68 3.95 3hvnA1 PRO 369 HD3 0.05 0.27 0.29 -0.04 3.65 4.22 3hvnA1 ALA 370 H -0.04 0.60 0.36 -0.55 8.40 8.77 3hvnA1 ALA 370 HA 0.37 0.02 0.41 -0.75 4.34 4.39 3hvnA1 ALA 370 HB3 -0.27 -0.01 0.01 -0.04 1.41 1.09 3hvnA1 GLN 371 H 0.12 0.29 0.12 -0.55 8.47 8.46 3hvnA1 GLN 371 HA -0.00 0.06 0.15 -0.75 4.36 3.82 3hvnA1 GLN 371 HB2 0.04 -0.03 0.06 -0.04 2.15 2.18 3hvnA1 GLN 371 HB3 0.01 0.01 -0.27 -0.04 2.02 1.73 3hvnA1 GLN 371 HG2 -0.00 -0.13 -0.20 -0.04 2.40 2.02 3hvnA1 GLN 371 HG3 0.03 0.16 -0.14 -0.04 2.39 2.40 3hvnA1 GLN 371 HE21 0.00 -0.01 -0.02 -0.04 6.97 6.91 3hvnA1 GLN 371 HE22 0.00 -0.03 -0.03 -0.04 7.69 7.59 3hvnA1 ILE 372 H -0.02 0.39 0.27 -0.55 8.25 8.34 3hvnA1 ILE 372 HA 0.02 0.16 0.68 -0.75 4.18 4.28 3hvnA1 ILE 372 HB -0.03 0.05 0.21 -0.04 1.89 2.08 3hvnA1 ILE 372 HG12 -0.02 0.04 0.04 -0.04 1.49 1.51 3hvnA1 ILE 372 HG13 0.00 -0.03 0.02 -0.04 1.21 1.16 3hvnA1 ILE 372 HG23 -0.00 -0.00 -0.18 -0.04 0.93 0.71 3hvnA1 ILE 372 HD13 -0.05 -0.03 -0.02 -0.04 0.88 0.74 3hvnA1 LEU 373 H 0.02 0.79 0.51 -0.55 8.37 9.13 3hvnA1 LEU 373 HA -0.00 0.24 1.14 -0.75 4.35 4.98 3hvnA1 LEU 373 HB2 0.01 -0.00 0.05 -0.04 1.64 1.65 3hvnA1 LEU 373 HB3 0.01 0.01 0.19 -0.04 1.64 1.81 3hvnA1 LEU 373 HG 0.01 -0.05 -0.20 -0.04 1.64 1.35 3hvnA1 LEU 373 HD13 -0.00 -0.00 -0.10 -0.04 0.93 0.79 3hvnA1 LEU 373 HD23 0.01 -0.02 -0.07 -0.04 0.89 0.76 3hvnA1 SER 374 H -0.01 0.29 0.24 -0.55 8.46 8.44 3hvnA1 SER 374 HA 0.00 0.14 0.88 -0.75 4.49 4.76 3hvnA1 SER 374 HB2 -0.00 0.06 -0.17 -0.04 3.95 3.79 3hvnA1 SER 374 HB3 -0.02 0.02 0.11 -0.04 3.93 4.00 3hvnA1 ASN 375 H 0.01 0.76 0.37 -0.55 8.53 9.12 3hvnA1 ASN 375 HA 0.01 0.25 1.15 -0.75 4.76 5.41 3hvnA1 ASN 375 HB2 0.01 -0.04 0.07 -0.04 2.88 2.88 3hvnA1 ASN 375 HB3 0.02 -0.06 -0.04 -0.04 2.79 2.67 3hvnA1 ASN 375 HD21 0.00 -0.00 -0.09 -0.04 7.03 6.90 3hvnA1 ASN 375 HD22 0.01 -0.05 -0.07 -0.04 7.74 7.59 3hvnA1 SER 376 H 0.04 0.47 0.22 -0.55 8.46 8.64 3hvnA1 SER 376 HA 0.05 0.34 0.63 -0.75 4.49 4.75 3hvnA1 SER 376 HB2 0.02 0.21 -0.28 -0.04 3.95 3.87 3hvnA1 SER 376 HB3 0.02 -0.10 -0.10 -0.04 3.93 3.71 3hvnA1 GLU 377 H 0.06 0.17 0.23 -0.55 8.60 8.52 3hvnA1 GLU 377 HA 0.09 0.10 0.97 -0.75 4.29 4.70 3hvnA1 GLU 377 HB2 0.03 -0.07 0.09 -0.04 2.09 2.10 3hvnA1 GLU 377 HB3 -0.00 0.09 0.02 -0.04 1.99 2.06 3hvnA1 GLU 377 HG2 -0.01 0.08 -0.02 -0.04 2.34 2.35 3hvnA1 GLU 377 HG3 0.01 -0.08 0.00 -0.04 2.34 2.24 3hvnA1 TYR 378 H -0.10 0.75 0.35 -0.55 8.29 8.74 3hvnA1 TYR 378 HA 0.01 0.16 0.62 -0.75 4.56 4.60 3hvnA1 TYR 378 HB2 0.05 -0.09 0.01 -0.04 3.06 2.99 3hvnA1 TYR 378 HB3 0.03 0.03 -0.33 -0.04 2.98 2.67 3hvnA1 TYR 378 HD2 0.00 0.10 -0.29 -0.04 7.15 6.92 3hvnA1 TYR 378 HE2 -0.24 0.03 -0.30 -0.04 6.85 6.30 3hvnA1 ILE 379 H 0.20 0.17 0.07 -0.55 8.25 8.14 3hvnA1 ILE 379 HA -0.20 0.30 1.09 -0.75 4.18 4.61 3hvnA1 ILE 379 HB 0.07 -0.03 0.10 -0.04 1.89 1.99 3hvnA1 ILE 379 HG12 0.01 -0.09 -0.23 -0.04 1.49 1.14 3hvnA1 ILE 379 HG13 0.01 0.03 -0.11 -0.04 1.21 1.09 3hvnA1 ILE 379 HG23 -0.01 0.01 -0.36 -0.04 0.93 0.53 3hvnA1 ILE 379 HD13 -0.06 0.05 -0.23 -0.04 0.88 0.60 3hvnA1 GLU 380 H -0.34 0.56 0.26 -0.55 8.60 8.54 3hvnA1 GLU 380 HA -0.75 0.07 0.77 -0.75 4.29 3.63 3hvnA1 GLU 380 HB2 -0.41 -0.04 0.03 -0.04 2.09 1.63 3hvnA1 GLU 380 HB3 -0.28 0.01 0.18 -0.04 1.99 1.86 3hvnA1 GLU 380 HG2 -0.16 0.01 -0.25 -0.04 2.34 1.90 3hvnA1 GLU 380 HG3 -0.55 0.02 -0.08 -0.04 2.34 1.68 3hvnA1 THR 381 H 0.16 0.21 0.14 -0.55 8.28 8.24 3hvnA1 THR 381 HA 0.02 0.14 0.94 -0.75 4.39 4.74 3hvnA1 THR 381 HB 0.19 0.08 0.15 -0.04 4.32 4.69 3hvnA1 THR 381 HG23 0.04 0.08 -0.15 -0.04 1.22 1.15 3hvnA1 THR 382 H 0.00 0.83 0.34 -0.55 8.28 8.90 3hvnA1 THR 382 HA 0.07 0.14 1.06 -0.75 4.39 4.90 3hvnA1 THR 382 HB 0.04 -0.07 -0.01 -0.04 4.32 4.24 3hvnA1 THR 382 HG23 -0.01 0.01 0.14 -0.04 1.22 1.32 3hvnA1 SER 383 H 0.01 0.15 0.22 -0.55 8.46 8.29 3hvnA1 SER 383 HA -0.05 0.47 1.20 -0.75 4.49 5.36 3hvnA1 SER 383 HB2 -0.06 -0.07 -0.03 -0.04 3.95 3.76 3hvnA1 SER 383 HB3 -0.03 0.03 -0.05 -0.04 3.93 3.85 3hvnA1 THR 384 H -0.07 0.37 0.32 -0.55 8.28 8.36 3hvnA1 THR 384 HA -0.10 0.04 0.94 -0.75 4.39 4.51 3hvnA1 THR 384 HB 0.04 -0.03 0.10 -0.04 4.32 4.39 3hvnA1 THR 384 HG23 -0.23 0.01 -0.01 -0.04 1.22 0.95 3hvnA1 VAL 385 H -0.19 0.09 0.20 -0.55 8.24 7.80 3hvnA1 VAL 385 HA -0.10 0.34 0.97 -0.75 4.13 4.59 3hvnA1 VAL 385 HB -0.06 0.03 0.01 -0.04 2.12 2.06 3hvnA1 VAL 385 HG13 -0.08 -0.02 0.09 -0.04 0.97 0.92 3hvnA1 VAL 385 HG23 0.00 -0.01 -0.14 -0.04 0.95 0.76 3hvnA1 HIS 386 H 0.13 0.33 0.31 -0.55 8.41 8.64 3hvnA1 HIS 386 HA 0.08 0.14 1.03 -0.75 4.63 5.13 3hvnA1 HIS 386 HB2 0.30 -0.17 0.15 -0.04 3.26 3.50 3hvnA1 HIS 386 HB3 0.14 0.23 0.14 -0.04 3.20 3.66 3hvnA1 HIS 386 HD2 0.10 0.01 0.04 -0.04 6.97 7.08 3hvnA1 HIS 386 HE1 0.15 -0.03 -0.08 -0.04 7.75 7.74 3hvnA1 ASN 387 H 0.09 0.12 0.14 -0.55 8.53 8.33 3hvnA1 ASN 387 HA 0.07 0.01 0.48 -0.75 4.76 4.57 3hvnA1 ASN 387 HB2 0.04 0.03 0.14 -0.04 2.88 3.05 3hvnA1 ASN 387 HB3 0.03 0.07 0.16 -0.04 2.79 3.01 3hvnA1 ASN 387 HD21 0.03 -0.04 0.03 -0.04 7.03 7.00 3hvnA1 ASN 387 HD22 0.03 0.02 0.05 -0.04 7.74 7.80 3hvnA1 SER 388 H 0.04 0.17 0.33 -0.55 8.46 8.46 3hvnA1 SER 388 HA 0.01 0.01 0.50 -0.75 4.49 4.25 3hvnA1 SER 388 HB2 0.03 0.03 0.24 -0.04 3.95 4.20 3hvnA1 SER 388 HB3 0.01 -0.08 0.10 -0.04 3.93 3.92 3hvnA1 SER 389 H -0.07 0.49 0.22 -0.55 8.46 8.55 3hvnA1 SER 389 HA -0.05 0.24 0.84 -0.75 4.49 4.77 3hvnA1 SER 389 HB2 -0.08 0.10 -0.22 -0.04 3.95 3.71 3hvnA1 SER 389 HB3 -0.17 -0.12 0.03 -0.04 3.93 3.63 3hvnA1 ALA 390 H -0.06 0.89 0.39 -0.55 8.40 9.07 3hvnA1 ALA 390 HA -0.09 0.32 1.19 -0.75 4.34 5.00 3hvnA1 ALA 390 HB3 -0.05 -0.04 0.06 -0.04 1.41 1.34 3hvnA1 LEU 391 H -0.12 0.67 0.36 -0.55 8.37 8.73 3hvnA1 LEU 391 HA -0.09 0.32 1.17 -0.75 4.35 4.99 3hvnA1 LEU 391 HB2 -0.15 0.05 -0.09 -0.04 1.64 1.41 3hvnA1 LEU 391 HB3 -0.19 -0.07 0.14 -0.04 1.64 1.48 3hvnA1 LEU 391 HG -0.14 -0.03 -0.26 -0.04 1.64 1.17 3hvnA1 LEU 391 HD13 -0.09 0.07 -0.05 -0.04 0.93 0.82 3hvnA1 LEU 391 HD23 -0.14 -0.02 -0.11 -0.04 0.89 0.58 3hvnA1 THR 392 H -0.07 0.56 0.29 -0.55 8.28 8.52 3hvnA1 THR 392 HA -0.09 0.10 0.88 -0.75 4.39 4.52 3hvnA1 THR 392 HB -0.04 -0.03 0.09 -0.04 4.32 4.30 3hvnA1 THR 392 HG23 -0.07 -0.01 -0.25 -0.04 1.22 0.85 3hvnA1 LEU 393 H -0.08 0.55 0.29 -0.55 8.37 8.59 3hvnA1 LEU 393 HA 0.09 0.28 1.11 -0.75 4.35 5.07 3hvnA1 LEU 393 HB2 0.24 -0.03 0.18 -0.04 1.64 1.99 3hvnA1 LEU 393 HB3 0.23 -0.01 -0.00 -0.04 1.64 1.82 3hvnA1 LEU 393 HG -0.13 0.08 -0.24 -0.04 1.64 1.30 3hvnA1 LEU 393 HD13 -0.52 -0.02 -0.06 -0.04 0.93 0.28 3hvnA1 LEU 393 HD23 0.08 0.02 -0.10 -0.04 0.89 0.85 3hvnA1 ASP 394 H 0.17 0.81 0.42 -0.55 8.40 9.25 3hvnA1 ASP 394 HA 0.05 0.24 1.12 -0.75 4.63 5.28 3hvnA1 ASP 394 HB2 0.01 -0.07 -0.11 -0.04 2.71 2.50 3hvnA1 ASP 394 HB3 0.10 -0.05 0.12 -0.04 2.70 2.82 3hvnA1 HIS 395 H 0.15 0.72 0.30 -0.55 8.41 9.04 3hvnA1 HIS 395 HA 0.22 0.13 1.03 -0.75 4.63 5.25 3hvnA1 HIS 395 HB2 0.39 -0.03 -0.13 -0.04 3.26 3.45 3hvnA1 HIS 395 HB3 0.30 -0.08 0.07 -0.04 3.20 3.45 3hvnA1 HIS 395 HD2 0.15 -0.09 -0.57 -0.04 6.97 6.41 3hvnA1 HIS 395 HE1 -0.47 -0.15 -0.20 -0.04 7.75 6.89 3hvnA1 SER 396 H 0.26 0.62 0.05 -0.55 8.46 8.85 3hvnA1 SER 396 HA -0.07 0.18 0.83 -0.75 4.49 4.68 3hvnA1 SER 396 HB2 0.25 0.07 0.27 -0.04 3.95 4.50 3hvnA1 SER 396 HB3 0.11 -0.06 0.17 -0.04 3.93 4.11 3hvnA1 GLY 397 H -0.65 0.58 0.00 -0.55 8.43 7.82 3hvnA1 GLY 397 HA2 -0.25 0.08 1.03 -0.51 4.01 4.36 3hvnA1 GLY 397 HA3 -1.45 0.01 0.14 -0.51 4.01 2.20 3hvnA1 ALA 398 H -0.14 0.69 0.26 -0.55 8.40 8.67 3hvnA1 ALA 398 HA -0.08 0.08 0.62 -0.75 4.34 4.20 3hvnA1 ALA 398 HB3 0.04 -0.03 0.22 -0.04 1.41 1.60 3hvnA1 TYR 399 H -0.31 0.76 -0.47 -0.55 8.29 7.72 3hvnA1 TYR 399 HA -0.00 0.10 0.56 -0.75 4.56 4.47 3hvnA1 TYR 399 HB2 -0.07 -0.05 0.17 -0.04 3.06 3.07 3hvnA1 TYR 399 HB3 -0.03 0.06 -0.13 -0.04 2.98 2.84 3hvnA1 TYR 399 HD2 0.06 -0.04 -0.62 -0.04 7.15 6.51 3hvnA1 TYR 399 HE2 0.03 0.02 -0.49 -0.04 6.85 6.37 3hvnA1 VAL 400 H 0.16 0.24 0.18 -0.55 8.24 8.27 3hvnA1 VAL 400 HA 0.25 0.43 1.00 -0.75 4.13 5.05 3hvnA1 VAL 400 HB -0.07 -0.05 0.08 -0.04 2.12 2.04 3hvnA1 VAL 400 HG13 0.15 -0.00 -0.40 -0.04 0.97 0.67 3hvnA1 VAL 400 HG23 0.04 -0.01 -0.16 -0.04 0.95 0.78 3hvnA1 ALA 401 H 0.03 0.68 0.25 -0.55 8.40 8.81 3hvnA1 ALA 401 HA 0.17 0.21 1.15 -0.75 4.34 5.12 3hvnA1 ALA 401 HB3 -0.20 -0.01 -0.05 -0.04 1.41 1.11 3hvnA1 LYS 402 H 0.08 0.26 0.14 -0.55 8.42 8.35 3hvnA1 LYS 402 HA -0.12 0.26 0.67 -0.75 4.32 4.37 3hvnA1 LYS 402 HB2 -0.77 -0.10 0.06 -0.04 1.87 1.01 3hvnA1 LYS 402 HB3 -0.46 0.02 -0.13 -0.04 1.79 1.19 3hvnA1 LYS 402 HG2 -0.47 0.23 -0.22 -0.04 1.46 0.96 3hvnA1 LYS 402 HG3 -0.98 -0.08 -0.14 -0.04 1.46 0.22 3hvnA1 LYS 402 HD2 -3.12 -0.07 -0.10 -0.04 1.69 -1.64 3hvnA1 LYS 402 HD3 -0.95 -0.02 -0.09 -0.04 1.68 0.58 3hvnA1 LYS 402 HE2 -0.55 -0.03 -0.06 -0.04 2.99 2.32 3hvnA1 LYS 402 HE3 -0.83 -0.05 -0.05 -0.04 2.99 2.02 3hvnA1 TYR 403 H 0.10 0.80 0.32 -0.55 8.29 8.96 3hvnA1 TYR 403 HA -0.05 0.13 0.97 -0.75 4.56 4.85 3hvnA1 TYR 403 HB2 0.14 0.14 0.10 -0.04 3.06 3.39 3hvnA1 TYR 403 HB3 0.30 -0.11 -0.05 -0.04 2.98 3.08 3hvnA1 TYR 403 HD2 -0.18 0.05 -0.14 -0.04 7.15 6.84 3hvnA1 TYR 403 HE2 -0.11 -0.00 -0.13 -0.04 6.85 6.56 3hvnA1 ASN 404 H 0.06 0.17 0.08 -0.55 8.53 8.30 3hvnA1 ASN 404 HA 0.16 -0.06 0.65 -0.75 4.76 4.75 3hvnA1 ASN 404 HB2 -0.04 0.05 -0.23 -0.04 2.88 2.62 3hvnA1 ASN 404 HB3 -0.02 0.11 0.18 -0.04 2.79 3.02 3hvnA1 ASN 404 HD21 -0.02 0.01 -0.05 -0.04 7.03 6.92 3hvnA1 ASN 404 HD22 -0.04 0.00 -0.04 -0.04 7.74 7.62 3hvnA1 ILE 405 H 0.30 0.12 0.21 -0.55 8.25 8.33 3hvnA1 ILE 405 HA 0.11 0.37 1.29 -0.75 4.18 5.19 3hvnA1 ILE 405 HB 0.13 0.14 0.08 -0.04 1.89 2.19 3hvnA1 ILE 405 HG12 0.25 -0.11 0.14 -0.04 1.49 1.73 3hvnA1 ILE 405 HG13 0.40 -0.02 -0.02 -0.04 1.21 1.53 3hvnA1 ILE 405 HG23 0.00 -0.05 -0.08 -0.04 0.93 0.77 3hvnA1 ILE 405 HD13 -0.40 0.01 -0.05 -0.04 0.88 0.40 3hvnA1 THR 406 H 0.22 0.74 0.48 -0.55 8.28 9.17 3hvnA1 THR 406 HA 0.02 0.09 1.14 -0.75 4.39 4.88 3hvnA1 THR 406 HB 0.03 -0.08 -0.12 -0.04 4.32 4.10 3hvnA1 THR 406 HG23 0.10 0.01 -0.05 -0.04 1.22 1.24 3hvnA1 TRP 407 H -0.34 0.88 0.47 -0.55 7.97 8.43 3hvnA1 TRP 407 HA -0.07 0.35 0.47 -0.75 4.62 4.61 3hvnA1 TRP 407 HB2 -0.08 0.07 0.02 -0.04 3.23 3.20 3hvnA1 TRP 407 HB3 -0.03 0.03 -0.09 -0.04 3.23 3.09 3hvnA1 TRP 407 HD1 -0.05 0.12 -0.27 -0.04 7.22 6.98 3hvnA1 TRP 407 HE1 -0.00 -0.01 -0.19 -0.04 10.20 9.96 3hvnA1 TRP 407 HE3 0.01 -0.02 -0.55 -0.04 7.59 7.00 3hvnA1 TRP 407 HZ2 0.05 0.03 -0.12 -0.04 7.44 7.35 3hvnA1 TRP 407 HZ3 0.08 -0.05 -0.24 -0.04 7.13 6.88 3hvnA1 TRP 407 HH2 0.13 -0.05 -0.19 -0.04 7.19 7.04 3hvnA1 GLU 408 H 0.21 0.50 0.29 -0.55 8.60 9.05 3hvnA1 GLU 408 HA -0.15 0.24 0.91 -0.75 4.29 4.54 3hvnA1 GLU 408 HB2 -0.14 -0.01 -0.17 -0.04 2.09 1.73 3hvnA1 GLU 408 HB3 -0.19 -0.01 -0.18 -0.04 1.99 1.57 3hvnA1 GLU 408 HG2 -0.36 0.17 0.01 -0.04 2.34 2.12 3hvnA1 GLU 408 HG3 -0.89 -0.07 -0.17 -0.04 2.34 1.17 3hvnA1 GLU 409 H 0.07 0.66 0.31 -0.55 8.60 9.10 3hvnA1 GLU 409 HA 0.19 0.29 1.12 -0.75 4.29 5.14 3hvnA1 GLU 409 HB2 0.09 -0.01 0.04 -0.04 2.09 2.17 3hvnA1 GLU 409 HB3 0.07 0.04 -0.06 -0.04 1.99 2.00 3hvnA1 GLU 409 HG2 0.38 0.01 -0.24 -0.04 2.34 2.44 3hvnA1 GLU 409 HG3 0.27 -0.05 -0.26 -0.04 2.34 2.26 3hvnA1 VAL 410 H 0.03 1.05 0.38 -0.55 8.24 9.15 3hvnA1 VAL 410 HA -0.08 -0.01 0.42 -0.75 4.13 3.71 3hvnA1 VAL 410 HB -0.24 -0.04 0.11 -0.04 2.12 1.92 3hvnA1 VAL 410 HG13 -0.67 -0.03 -0.23 -0.04 0.97 0.00 3hvnA1 VAL 410 HG23 0.07 0.06 -0.10 -0.04 0.95 0.94 3hvnA1 SER 411 H -0.19 0.31 0.15 -0.55 8.46 8.19 3hvnA1 SER 411 HA 0.02 0.13 0.92 -0.75 4.49 4.81 3hvnA1 SER 411 HB2 0.01 0.02 0.00 -0.04 3.95 3.95 3hvnA1 SER 411 HB3 -0.03 0.10 0.28 -0.04 3.93 4.24 3hvnA1 TYR 412 H 0.20 0.18 0.01 -0.55 8.29 8.13 3hvnA1 TYR 412 HA 0.00 0.22 0.67 -0.75 4.56 4.70 3hvnA1 TYR 412 HB2 0.08 -0.14 0.17 -0.04 3.06 3.13 3hvnA1 TYR 412 HB3 0.02 0.23 0.09 -0.04 2.98 3.28 3hvnA1 TYR 412 HD2 0.14 0.05 -0.29 -0.04 7.15 7.01 3hvnA1 TYR 412 HE2 0.15 0.00 -0.17 -0.04 6.85 6.80 3hvnA1 ASN 413 H 0.03 0.32 0.01 -0.55 8.53 8.34 3hvnA1 ASN 413 HA 0.06 0.06 0.55 -0.75 4.76 4.67 3hvnA1 ASN 413 HB2 0.02 0.13 0.10 -0.04 2.88 3.09 3hvnA1 ASN 413 HB3 0.03 -0.21 0.22 -0.04 2.79 2.78 3hvnA1 ASN 413 HD21 0.01 -0.01 0.00 -0.04 7.03 6.99 3hvnA1 ASN 413 HD22 0.01 0.01 0.02 -0.04 7.74 7.74 3hvnA1 GLU 414 H 0.03 0.05 0.15 -0.55 8.60 8.28 3hvnA1 GLU 414 HA 0.03 0.11 0.45 -0.75 4.29 4.12 3hvnA1 GLU 414 HB2 0.02 0.01 0.10 -0.04 2.09 2.18 3hvnA1 GLU 414 HB3 0.01 -0.05 0.17 -0.04 1.99 2.08 3hvnA1 GLU 414 HG2 0.02 0.04 0.09 -0.04 2.34 2.45 3hvnA1 GLU 414 HG3 0.02 -0.02 0.12 -0.04 2.34 2.42 3hvnA1 ALA 415 H 0.01 0.13 0.18 -0.55 8.40 8.18 3hvnA1 ALA 415 HA 0.01 0.02 0.38 -0.75 4.34 3.99 3hvnA1 ALA 415 HB3 0.01 0.07 0.08 -0.04 1.41 1.52 3hvnA1 GLY 416 H 0.04 0.18 -0.65 -0.55 8.43 7.45 3hvnA1 GLY 416 HA2 0.07 0.39 0.24 -0.51 4.01 4.20 3hvnA1 GLY 416 HA3 0.02 -0.15 0.41 -0.51 4.01 3.77 3hvnA1 GLU 417 H 0.04 0.26 -0.36 -0.55 8.60 7.99 3hvnA1 GLU 417 HA 0.02 0.09 0.80 -0.75 4.29 4.45 3hvnA1 GLU 417 HB2 0.00 0.02 -0.06 -0.04 2.09 2.01 3hvnA1 GLU 417 HB3 -0.01 0.01 0.00 -0.04 1.99 1.95 3hvnA1 GLU 417 HG2 -0.05 0.17 -0.08 -0.04 2.34 2.34 3hvnA1 GLU 417 HG3 -0.03 -0.06 0.07 -0.04 2.34 2.27 3hvnA1 GLU 418 H -0.09 0.08 0.12 -0.55 8.60 8.16 3hvnA1 GLU 418 HA -0.47 0.07 0.30 -0.75 4.29 3.43 3hvnA1 GLU 418 HB2 -0.36 -0.02 0.08 -0.04 2.09 1.75 3hvnA1 GLU 418 HB3 -0.71 -0.05 -0.06 -0.04 1.99 1.12 3hvnA1 GLU 418 HG2 -0.53 0.02 -0.09 -0.04 2.34 1.70 3hvnA1 GLU 418 HG3 -0.09 0.04 0.02 -0.04 2.34 2.27 3hvnA1 VAL 419 H -0.37 0.13 0.12 -0.55 8.24 7.57 3hvnA1 VAL 419 HA -0.09 0.15 0.86 -0.75 4.13 4.30 3hvnA1 VAL 419 HB -0.07 0.04 0.35 -0.04 2.12 2.40 3hvnA1 VAL 419 HG13 -0.00 -0.02 -0.07 -0.04 0.97 0.84 3hvnA1 VAL 419 HG23 -0.05 0.04 -0.10 -0.04 0.95 0.80 3hvnA1 TRP 420 H 0.04 0.14 -0.02 -0.55 7.97 7.59 3hvnA1 TRP 420 HA -0.07 0.23 0.56 -0.75 4.62 4.58 3hvnA1 TRP 420 HB2 -0.05 -0.03 0.07 -0.04 3.23 3.19 3hvnA1 TRP 420 HB3 -0.04 0.02 -0.14 -0.04 3.23 3.03 3hvnA1 TRP 420 HD1 -0.07 0.09 -0.71 -0.04 7.22 6.49 3hvnA1 TRP 420 HE1 -0.07 0.05 -0.23 -0.04 10.20 9.91 3hvnA1 TRP 420 HE3 -0.03 0.01 -0.06 -0.04 7.59 7.47 3hvnA1 TRP 420 HZ2 -0.03 0.02 -0.11 -0.04 7.44 7.28 3hvnA1 TRP 420 HZ3 -0.01 -0.00 -0.05 -0.04 7.13 7.02 3hvnA1 TRP 420 HH2 -0.00 -0.01 -0.06 -0.04 7.19 7.08 3hvnA1 GLU 421 H 0.18 0.69 0.40 -0.55 8.60 9.32 3hvnA1 GLU 421 HA 0.03 0.18 0.91 -0.75 4.29 4.66 3hvnA1 GLU 421 HB2 0.03 0.01 0.01 -0.04 2.09 2.10 3hvnA1 GLU 421 HB3 0.03 -0.03 0.15 -0.04 1.99 2.10 3hvnA1 GLU 421 HG2 -0.04 0.22 -0.13 -0.04 2.34 2.36 3hvnA1 GLU 421 HG3 -0.01 -0.03 0.08 -0.04 2.34 2.34 3hvnA1 PRO 422 HA -0.15 0.11 0.58 -0.51 4.44 4.47 3hvnA1 PRO 422 HB2 -0.10 -0.01 0.04 -0.04 2.28 2.17 3hvnA1 PRO 422 HB3 -0.11 0.03 0.09 -0.04 2.02 1.99 3hvnA1 PRO 422 HG2 -0.05 0.02 0.09 -0.04 2.03 2.05 3hvnA1 PRO 422 HG3 -0.05 0.05 0.08 -0.04 2.03 2.07 3hvnA1 PRO 422 HD2 -0.03 0.08 0.24 -0.04 3.68 3.93 3hvnA1 PRO 422 HD3 -0.00 0.25 0.30 -0.04 3.65 4.15 3hvnA1 LYS 423 H -0.38 0.65 0.47 -0.55 8.42 8.61 3hvnA1 LYS 423 HA -0.38 0.09 0.70 -0.75 4.32 3.98 3hvnA1 LYS 423 HB2 -1.14 -0.01 -0.18 -0.04 1.87 0.50 3hvnA1 LYS 423 HB3 -1.34 -0.04 -0.10 -0.04 1.79 0.26 3hvnA1 LYS 423 HG2 -0.19 0.15 -0.42 -0.04 1.46 0.96 3hvnA1 LYS 423 HG3 -0.09 -0.07 -0.13 -0.04 1.46 1.14 3hvnA1 LYS 423 HD2 -0.18 -0.05 0.04 -0.04 1.69 1.46 3hvnA1 LYS 423 HD3 -0.18 0.09 0.17 -0.04 1.68 1.72 3hvnA1 LYS 423 HE2 0.04 -0.05 -0.03 -0.04 2.99 2.92 3hvnA1 LYS 423 HE3 -0.01 -0.03 0.01 -0.04 2.99 2.92 3hvnA1 ALA 424 H -0.41 0.28 0.19 -0.55 8.40 7.91 3hvnA1 ALA 424 HA -0.37 0.14 0.97 -0.75 4.34 4.32 3hvnA1 ALA 424 HB3 -0.12 0.01 -0.01 -0.04 1.41 1.25 3hvnA1 TRP 425 H 0.27 0.70 0.36 -0.55 7.97 8.76 3hvnA1 TRP 425 HA 0.15 0.05 0.47 -0.75 4.62 4.53 3hvnA1 TRP 425 HB2 0.22 0.11 0.18 -0.04 3.23 3.70 3hvnA1 TRP 425 HB3 0.07 -0.10 0.16 -0.04 3.23 3.32 3hvnA1 TRP 425 HD1 0.19 0.04 0.09 -0.04 7.22 7.50 3hvnA1 TRP 425 HE1 0.13 0.07 -0.01 -0.04 10.20 10.34 3hvnA1 TRP 425 HE3 0.03 -0.07 -0.26 -0.04 7.59 7.26 3hvnA1 TRP 425 HZ2 0.26 0.04 -0.06 -0.04 7.44 7.65 3hvnA1 TRP 425 HZ3 -0.34 0.05 -0.12 -0.04 7.13 6.68 3hvnA1 TRP 425 HH2 -0.87 0.03 -0.08 -0.04 7.19 6.23 3hvnA1 ASP 426 H -0.03 0.14 0.23 -0.55 8.40 8.19 3hvnA1 ASP 426 HA -0.17 0.14 0.38 -0.75 4.63 4.23 3hvnA1 ASP 426 HB2 -0.15 0.04 0.13 -0.04 2.71 2.68 3hvnA1 ASP 426 HB3 -0.06 0.03 0.18 -0.04 2.70 2.81 3hvnA1 LYS 427 H -1.73 -0.04 -0.40 -0.55 8.42 5.69 3hvnA1 LYS 427 HA -0.56 0.26 0.82 -0.75 4.32 4.09 3hvnA1 LYS 427 HB2 -3.38 -0.04 -0.02 -0.04 1.87 -1.62 3hvnA1 LYS 427 HB3 -0.92 0.01 0.12 -0.04 1.79 0.96 3hvnA1 LYS 427 HG2 -0.50 0.09 -0.10 -0.04 1.46 0.90 3hvnA1 LYS 427 HG3 -0.96 -0.10 -0.10 -0.04 1.46 0.26 3hvnA1 LYS 427 HD2 -0.21 -0.02 -0.04 -0.04 1.69 1.39 3hvnA1 LYS 427 HD3 -0.25 0.02 -0.02 -0.04 1.68 1.39 3hvnA1 LYS 427 HE2 0.26 0.01 -0.01 -0.04 2.99 3.22 3hvnA1 LYS 427 HE3 -0.03 0.02 -0.02 -0.04 2.99 2.92 3hvnA1 ASN 428 H -0.26 0.55 -0.31 -0.55 8.53 7.97 3hvnA1 ASN 428 HA 0.14 0.03 0.41 -0.75 4.76 4.59 3hvnA1 ASN 428 HB2 -0.03 0.23 0.10 -0.04 2.88 3.14 3hvnA1 ASN 428 HB3 -0.00 0.00 0.01 -0.04 2.79 2.76 3hvnA1 ASN 428 HD21 0.13 0.34 0.05 -0.04 7.03 7.51 3hvnA1 ASN 428 HD22 0.03 0.04 0.01 -0.04 7.74 7.77 3hvnA1 GLY 429 H -0.03 0.45 0.37 -0.55 8.43 8.68 3hvnA1 GLY 429 HA2 -0.15 -0.04 0.36 -0.51 4.01 3.67 3hvnA1 GLY 429 HA3 -0.11 0.05 0.51 -0.51 4.01 3.95 3hvnA1 VAL 430 H -0.13 0.40 -0.75 -0.55 8.24 7.21 3hvnA1 VAL 430 HA -0.11 0.01 0.50 -0.75 4.13 3.77 3hvnA1 VAL 430 HB -0.30 0.39 0.23 -0.04 2.12 2.40 3hvnA1 VAL 430 HG13 -0.21 -0.05 -0.18 -0.04 0.97 0.49 3hvnA1 VAL 430 HG23 -0.22 -0.01 -0.01 -0.04 0.95 0.68 3hvnA1 ASN 431 H -0.05 0.16 0.18 -0.55 8.53 8.27 3hvnA1 ASN 431 HA -0.00 0.36 0.85 -0.75 4.76 5.21 3hvnA1 ASN 431 HB2 0.22 -0.05 -0.29 -0.04 2.88 2.73 3hvnA1 ASN 431 HB3 0.08 0.02 -0.17 -0.04 2.79 2.67 3hvnA1 ASN 431 HD21 0.14 -0.01 -0.02 -0.04 7.03 7.11 3hvnA1 ASN 431 HD22 0.34 -0.01 -0.08 -0.04 7.74 7.95 3hvnA1 LEU 432 H -0.01 0.64 0.25 -0.55 8.37 8.70 3hvnA1 LEU 432 HA -0.03 0.15 0.82 -0.75 4.35 4.53 3hvnA1 LEU 432 HB2 -0.04 -0.02 -0.01 -0.04 1.64 1.52 3hvnA1 LEU 432 HB3 -0.12 0.05 -0.03 -0.04 1.64 1.50 3hvnA1 LEU 432 HG -0.32 0.06 -0.17 -0.04 1.64 1.17 3hvnA1 LEU 432 HD13 -1.67 -0.02 -0.10 -0.04 0.93 -0.90 3hvnA1 LEU 432 HD23 -0.58 0.02 -0.17 -0.04 0.89 0.12 3hvnA1 THR 433 H 0.13 0.15 0.16 -0.55 8.28 8.17 3hvnA1 THR 433 HA 0.20 0.16 0.75 -0.75 4.39 4.74 3hvnA1 THR 433 HB 0.10 -0.00 0.09 -0.04 4.32 4.47 3hvnA1 THR 433 HG23 0.06 -0.00 -0.03 -0.04 1.22 1.22 3hvnA1 SER 434 H 0.09 0.53 0.34 -0.55 8.46 8.88 3hvnA1 SER 434 HA -0.18 0.29 0.59 -0.75 4.49 4.43 3hvnA1 SER 434 HB2 -0.00 -0.04 0.05 -0.04 3.95 3.91 3hvnA1 SER 434 HB3 0.03 0.04 -0.11 -0.04 3.93 3.85 3hvnA1 HIS 435 H 0.07 0.06 0.31 -0.55 8.41 8.30 3hvnA1 HIS 435 HA -0.18 0.72 1.26 -0.75 4.63 5.68 3hvnA1 HIS 435 HB2 -0.07 -0.07 0.10 -0.04 3.26 3.18 3hvnA1 HIS 435 HB3 -0.02 -0.07 0.18 -0.04 3.20 3.24 3hvnA1 HIS 435 HD2 -0.02 -0.03 0.02 -0.04 6.97 6.89 3hvnA1 HIS 435 HE1 -0.08 -0.05 -0.13 -0.04 7.75 7.45 3hvnA1 TRP 436 H -0.36 0.50 0.47 -0.55 7.97 8.03 3hvnA1 TRP 436 HA -0.08 0.11 0.65 -0.75 4.62 4.55 3hvnA1 TRP 436 HB2 0.09 0.15 -0.19 -0.04 3.23 3.23 3hvnA1 TRP 436 HB3 0.10 -0.07 -0.08 -0.04 3.23 3.14 3hvnA1 TRP 436 HD1 0.05 0.05 0.10 -0.04 7.22 7.37 3hvnA1 TRP 436 HE1 0.06 0.00 0.01 -0.04 10.20 10.23 3hvnA1 TRP 436 HE3 -0.14 -0.06 -0.40 -0.04 7.59 6.95 3hvnA1 TRP 436 HZ2 0.26 -0.01 -0.07 -0.04 7.44 7.58 3hvnA1 TRP 436 HZ3 -0.43 -0.03 -0.08 -0.04 7.13 6.54 3hvnA1 TRP 436 HH2 -0.10 -0.01 -0.06 -0.04 7.19 6.98 3hvnA1 SER 437 H -1.80 0.26 0.19 -0.55 8.46 6.57 3hvnA1 SER 437 HA -0.56 0.39 0.81 -0.75 4.49 4.37 3hvnA1 SER 437 HB2 -0.29 0.09 0.01 -0.04 3.95 3.72 3hvnA1 SER 437 HB3 -0.36 -0.04 0.00 -0.04 3.93 3.49 3hvnA1 GLU 438 H -0.60 0.63 0.34 -0.55 8.60 8.42 3hvnA1 GLU 438 HA -0.40 0.05 0.53 -0.75 4.29 3.73 3hvnA1 GLU 438 HB2 -0.50 0.12 0.07 -0.04 2.09 1.74 3hvnA1 GLU 438 HB3 0.30 -0.06 0.01 -0.04 1.99 2.20 3hvnA1 GLU 438 HG2 0.13 -0.01 -0.44 -0.04 2.34 1.98 3hvnA1 GLU 438 HG3 0.08 0.04 0.05 -0.04 2.34 2.47 3hvnA1 THR 439 H -0.12 0.16 0.16 -0.55 8.28 7.93 3hvnA1 THR 439 HA -0.10 0.14 0.86 -0.75 4.39 4.54 3hvnA1 THR 439 HB -0.05 0.01 0.05 -0.04 4.32 4.28 3hvnA1 THR 439 HG23 -0.06 0.01 -0.19 -0.04 1.22 0.94 3hvnA1 ILE 440 H -0.11 0.47 0.20 -0.55 8.25 8.26 3hvnA1 ILE 440 HA -0.00 0.18 1.01 -0.75 4.18 4.61 3hvnA1 ILE 440 HB -0.25 0.03 -0.06 -0.04 1.89 1.57 3hvnA1 ILE 440 HG12 -0.02 0.01 -0.11 -0.04 1.49 1.32 3hvnA1 ILE 440 HG13 0.13 0.01 0.05 -0.04 1.21 1.35 3hvnA1 ILE 440 HG23 -0.24 0.07 0.01 -0.04 0.93 0.73 3hvnA1 ILE 440 HD13 -0.08 -0.01 -0.07 -0.04 0.88 0.68 3hvnA1 GLN 441 H 0.00 0.17 0.09 -0.55 8.47 8.18 3hvnA1 GLN 441 HA -0.09 0.35 0.99 -0.75 4.36 4.86 3hvnA1 GLN 441 HB2 0.02 -0.03 0.18 -0.04 2.15 2.27 3hvnA1 GLN 441 HB3 -0.01 0.02 0.00 -0.04 2.02 1.99 3hvnA1 GLN 441 HG2 -0.01 -0.07 -0.24 -0.04 2.40 2.04 3hvnA1 GLN 441 HG3 0.01 -0.01 -0.05 -0.04 2.39 2.30 3hvnA1 GLN 441 HE21 -0.02 0.00 -0.12 -0.04 6.97 6.78 3hvnA1 GLN 441 HE22 -0.02 -0.04 -0.18 -0.04 7.69 7.41 3hvnA1 ILE 442 H -0.24 0.48 0.18 -0.55 8.25 8.12 3hvnA1 ILE 442 HA -0.46 0.06 0.62 -0.75 4.18 3.65 3hvnA1 ILE 442 HB -0.37 0.04 0.05 -0.04 1.89 1.57 3hvnA1 ILE 442 HG12 -0.41 0.04 -0.08 -0.04 1.49 1.00 3hvnA1 ILE 442 HG13 -0.57 -0.00 -0.13 -0.04 1.21 0.46 3hvnA1 ILE 442 HG23 -1.06 0.03 -0.13 -0.04 0.93 -0.27 3hvnA1 ILE 442 HD13 -1.39 -0.02 -0.21 -0.04 0.88 -0.79 3hvnA1 PRO 443 HA -0.01 0.04 0.34 -0.51 4.44 4.30 3hvnA1 PRO 443 HB2 -0.01 -0.05 -0.13 -0.04 2.28 2.05 3hvnA1 PRO 443 HB3 0.03 -0.01 0.05 -0.04 2.02 2.06 3hvnA1 PRO 443 HG2 0.16 0.04 0.00 -0.04 2.03 2.18 3hvnA1 PRO 443 HG3 0.08 0.07 0.06 -0.04 2.03 2.20 3hvnA1 PRO 443 HD2 -0.03 0.07 0.09 -0.04 3.68 3.77 3hvnA1 PRO 443 HD3 -0.02 0.23 0.31 -0.04 3.65 4.13 3hvnA1 GLY 444 H 0.05 0.06 0.01 -0.55 8.43 8.01 3hvnA1 GLY 444 HA2 0.05 0.36 0.39 -0.51 4.01 4.30 3hvnA1 GLY 444 HA3 0.16 0.24 0.24 -0.51 4.01 4.15 3hvnA1 ASN 445 H -0.24 -0.00 -0.19 -0.55 8.53 7.56 3hvnA1 ASN 445 HA -0.48 0.16 0.52 -0.75 4.76 4.20 3hvnA1 ASN 445 HB2 -0.99 0.02 0.23 -0.04 2.88 2.10 3hvnA1 ASN 445 HB3 -3.07 -0.02 0.06 -0.04 2.79 -0.27 3hvnA1 ASN 445 HD21 -0.05 -0.02 -0.07 -0.04 7.03 6.84 3hvnA1 ASN 445 HD22 -0.20 0.22 0.06 -0.04 7.74 7.78 3hvnA1 ALA 446 H -0.07 0.39 -0.94 -0.55 8.40 7.23 3hvnA1 ALA 446 HA 0.13 0.27 1.11 -0.75 4.34 5.10 3hvnA1 ALA 446 HB3 -0.02 0.01 -0.10 -0.04 1.41 1.26 3hvnA1 ARG 447 H 0.06 0.60 0.35 -0.55 8.46 8.92 3hvnA1 ARG 447 HA -0.03 0.07 0.50 -0.75 4.34 4.12 3hvnA1 ARG 447 HB2 -0.01 -0.00 -0.16 -0.04 1.90 1.69 3hvnA1 ARG 447 HB3 -0.10 -0.10 0.08 -0.04 1.80 1.63 3hvnA1 ARG 447 HG2 0.05 -0.10 0.12 -0.04 1.67 1.70 3hvnA1 ARG 447 HG3 0.05 0.61 0.15 -0.04 1.67 2.45 3hvnA1 ARG 447 HD2 0.41 -0.04 -0.20 -0.04 3.22 3.35 3hvnA1 ARG 447 HD3 0.29 -0.06 -0.05 -0.04 3.22 3.36 3hvnA1 ASN 448 H -0.08 0.12 0.15 -0.55 8.53 8.17 3hvnA1 ASN 448 HA -0.07 0.04 0.34 -0.75 4.76 4.31 3hvnA1 ASN 448 HB2 -0.27 0.14 0.01 -0.04 2.88 2.72 3hvnA1 ASN 448 HB3 -0.15 0.01 0.15 -0.04 2.79 2.76 3hvnA1 ASN 448 HD21 -0.40 -0.00 -0.06 -0.04 7.03 6.52 3hvnA1 ASN 448 HD22 -0.36 0.02 -0.06 -0.04 7.74 7.30 3hvnA1 LEU 449 H 0.00 0.08 0.02 -0.55 8.37 7.93 3hvnA1 LEU 449 HA 0.18 0.25 0.73 -0.75 4.35 4.76 3hvnA1 LEU 449 HB2 -0.06 -0.03 -0.03 -0.04 1.64 1.47 3hvnA1 LEU 449 HB3 -0.02 0.26 0.11 -0.04 1.64 1.95 3hvnA1 LEU 449 HG 0.01 -0.11 -0.39 -0.04 1.64 1.11 3hvnA1 LEU 449 HD13 0.02 0.02 -0.07 -0.04 0.93 0.85 3hvnA1 LEU 449 HD23 -0.09 0.00 -0.23 -0.04 0.89 0.54 3hvnA1 HIS 450 H 0.21 0.77 0.46 -0.55 8.41 9.31 3hvnA1 HIS 450 HA 0.03 0.18 1.04 -0.75 4.63 5.12 3hvnA1 HIS 450 HB2 -0.00 0.02 -0.12 -0.04 3.26 3.13 3hvnA1 HIS 450 HB3 0.02 -0.04 0.08 -0.04 3.20 3.22 3hvnA1 HIS 450 HD2 -0.01 -0.03 -0.22 -0.04 6.97 6.67 3hvnA1 HIS 450 HE1 -0.07 -0.02 -0.36 -0.04 7.75 7.26 3hvnA1 VAL 451 H -0.44 0.78 0.34 -0.55 8.24 8.37 3hvnA1 VAL 451 HA -0.09 0.13 1.09 -0.75 4.13 4.50 3hvnA1 VAL 451 HB 0.05 -0.00 0.07 -0.04 2.12 2.20 3hvnA1 VAL 451 HG13 -0.13 -0.02 -0.24 -0.04 0.97 0.54 3hvnA1 VAL 451 HG23 -0.05 -0.00 -0.19 -0.04 0.95 0.67 3hvnA1 ASN 452 H -0.08 0.50 0.17 -0.55 8.53 8.57 3hvnA1 ASN 452 HA -0.09 0.29 1.02 -0.75 4.76 5.23 3hvnA1 ASN 452 HB2 0.04 -0.05 -0.07 -0.04 2.88 2.76 3hvnA1 ASN 452 HB3 -0.00 0.09 0.20 -0.04 2.79 3.03 3hvnA1 ASN 452 HD21 -0.02 -0.03 -0.08 -0.04 7.03 6.86 3hvnA1 ASN 452 HD22 0.08 -0.01 -0.05 -0.04 7.74 7.71 3hvnA1 ILE 453 H -0.09 0.57 0.25 -0.55 8.25 8.44 3hvnA1 ILE 453 HA -0.31 0.36 1.13 -0.75 4.18 4.61 3hvnA1 ILE 453 HB -0.55 0.07 -0.06 -0.04 1.89 1.31 3hvnA1 ILE 453 HG12 -0.15 -0.01 0.02 -0.04 1.49 1.32 3hvnA1 ILE 453 HG13 -0.19 -0.05 -0.02 -0.04 1.21 0.90 3hvnA1 ILE 453 HG23 -0.96 -0.03 -0.15 -0.04 0.93 -0.25 3hvnA1 ILE 453 HD13 -0.41 -0.00 -0.15 -0.04 0.88 0.27 3hvnA1 GLN 454 H -0.22 0.76 0.32 -0.55 8.47 8.79 3hvnA1 GLN 454 HA -0.08 -0.06 1.08 -0.75 4.36 4.54 3hvnA1 GLN 454 HB2 -0.22 -0.02 -0.05 -0.04 2.15 1.81 3hvnA1 GLN 454 HB3 0.05 0.04 -0.22 -0.04 2.02 1.85 3hvnA1 GLN 454 HG2 -0.09 -0.06 -0.18 -0.04 2.40 2.03 3hvnA1 GLN 454 HG3 -0.16 -0.01 -0.36 -0.04 2.39 1.81 3hvnA1 GLN 454 HE21 -0.15 0.01 -0.11 -0.04 6.97 6.68 3hvnA1 GLN 454 HE22 -0.12 0.01 -0.16 -0.04 7.69 7.38 3hvnA1 GLU 455 H 0.00 0.83 0.30 -0.55 8.60 9.19 3hvnA1 GLU 455 HA 0.02 0.17 1.08 -0.75 4.29 4.80 3hvnA1 GLU 455 HB2 -0.59 -0.05 -0.14 -0.04 2.09 1.26 3hvnA1 GLU 455 HB3 -0.37 0.06 0.02 -0.04 1.99 1.66 3hvnA1 GLU 455 HG2 -0.78 0.04 -0.14 -0.04 2.34 1.42 3hvnA1 GLU 455 HG3 -1.91 -0.07 -0.21 -0.04 2.34 0.11 3hvnA1 CYS 456 H -0.29 0.66 0.36 -0.55 8.50 8.69 3hvnA1 CYS 456 HA -1.49 0.11 0.72 -0.75 4.58 3.16 3hvnA1 CYS 456 HB2 -2.01 -0.02 0.12 -0.04 2.97 1.02 3hvnA1 CYS 456 HB3 -0.65 -0.18 0.24 -0.04 2.97 2.34 3hvnA1 THR 457 H -0.77 0.86 0.50 -0.55 8.28 8.32 3hvnA1 THR 457 HA -0.29 0.10 0.97 -0.75 4.39 4.42 3hvnA1 THR 457 HB -0.35 0.08 0.08 -0.04 4.32 4.09 3hvnA1 THR 457 HG23 -0.20 -0.03 0.01 -0.04 1.22 0.96 3hvnA1 GLY 458 H -0.15 0.12 0.12 -0.55 8.43 7.97 3hvnA1 GLY 458 HA2 -0.06 0.12 0.41 -0.51 4.01 3.98 3hvnA1 GLY 458 HA3 -0.05 -0.03 0.34 -0.51 4.01 3.76 3hvnA1 LEU 459 H -0.24 0.06 -0.74 -0.55 8.37 6.90 3hvnA1 LEU 459 HA -0.18 0.07 0.53 -0.75 4.35 4.01 3hvnA1 LEU 459 HB2 -0.81 0.18 -0.29 -0.04 1.64 0.68 3hvnA1 LEU 459 HB3 -1.66 -0.17 -0.00 -0.04 1.64 -0.23 3hvnA1 LEU 459 HG -0.35 -0.06 -0.06 -0.04 1.64 1.13 3hvnA1 LEU 459 HD13 -0.97 0.05 -0.01 -0.04 0.93 -0.05 3hvnA1 LEU 459 HD23 -0.02 0.01 -0.09 -0.04 0.89 0.74 3hvnA1 ALA 460 H -0.07 0.07 0.14 -0.55 8.40 7.99 3hvnA1 ALA 460 HA -0.07 0.22 0.65 -0.75 4.34 4.38 3hvnA1 ALA 460 HB3 0.05 0.01 0.06 -0.04 1.41 1.49 3hvnA1 TRP 461 H -0.14 -0.03 0.01 -0.55 7.97 7.27 3hvnA1 TRP 461 HA 0.02 0.16 0.57 -0.75 4.62 4.61 3hvnA1 TRP 461 HB2 0.03 0.07 -0.03 -0.04 3.23 3.25 3hvnA1 TRP 461 HB3 0.02 0.03 0.08 -0.04 3.23 3.31 3hvnA1 TRP 461 HD1 0.02 -0.01 0.10 -0.04 7.22 7.28 3hvnA1 TRP 461 HE1 0.02 0.04 0.04 -0.04 10.20 10.26 3hvnA1 TRP 461 HE3 0.03 0.05 -0.11 -0.04 7.59 7.52 3hvnA1 TRP 461 HZ2 0.02 0.02 0.00 -0.04 7.44 7.43 3hvnA1 TRP 461 HZ3 0.02 0.04 -0.01 -0.04 7.13 7.14 3hvnA1 TRP 461 HH2 0.01 0.04 0.00 -0.04 7.19 7.21 3hvnA1 GLU 462 H -1.15 0.01 -0.19 -0.55 8.60 6.72 3hvnA1 GLU 462 HA 0.02 0.23 0.79 -0.75 4.29 4.57 3hvnA1 GLU 462 HB2 -0.03 -0.02 -0.01 -0.04 2.09 1.99 3hvnA1 GLU 462 HB3 -0.85 -0.05 0.09 -0.04 1.99 1.14 3hvnA1 GLU 462 HG2 -0.11 0.09 -0.22 -0.04 2.34 2.05 3hvnA1 GLU 462 HG3 0.03 0.03 0.01 -0.04 2.34 2.36 3hvnA1 TRP 463 H 0.15 0.29 -0.49 -0.55 7.97 7.36 3hvnA1 TRP 463 HA -0.34 0.39 0.31 -0.75 4.62 4.23 3hvnA1 TRP 463 HB2 -0.10 0.10 0.04 -0.04 3.23 3.22 3hvnA1 TRP 463 HB3 -0.06 -0.09 0.03 -0.04 3.23 3.08 3hvnA1 TRP 463 HD1 -0.25 0.45 0.07 -0.04 7.22 7.46 3hvnA1 TRP 463 HE1 -0.18 -0.05 -0.03 -0.04 10.20 9.90 3hvnA1 TRP 463 HE3 0.24 -0.01 -0.05 -0.04 7.59 7.73 3hvnA1 TRP 463 HZ2 -0.08 -0.02 -0.03 -0.04 7.44 7.27 3hvnA1 TRP 463 HZ3 0.32 -0.01 -0.03 -0.04 7.13 7.37 3hvnA1 TRP 463 HH2 0.08 -0.02 -0.03 -0.04 7.19 7.19 3hvnA1 TRP 464 H 0.25 0.10 -0.12 -0.55 7.97 7.64 3hvnA1 TRP 464 HA -0.26 0.19 0.97 -0.75 4.62 4.77 3hvnA1 TRP 464 HB2 -0.02 -0.02 0.03 -0.04 3.23 3.18 3hvnA1 TRP 464 HB3 -0.11 -0.02 -0.16 -0.04 3.23 2.90 3hvnA1 TRP 464 HD1 0.23 -0.01 -0.09 -0.04 7.22 7.31 3hvnA1 TRP 464 HE1 -0.27 0.01 -0.07 -0.04 10.20 9.82 3hvnA1 TRP 464 HE3 -0.24 0.02 -0.44 -0.04 7.59 6.90 3hvnA1 TRP 464 HZ2 -0.30 0.01 -0.09 -0.04 7.44 7.02 3hvnA1 TRP 464 HZ3 -0.21 -0.02 -0.12 -0.04 7.13 6.74 3hvnA1 TRP 464 HH2 -0.19 -0.04 -0.26 -0.04 7.19 6.67 3hvnA1 ARG 465 H 0.02 0.70 0.23 -0.55 8.46 8.85 3hvnA1 ARG 465 HA 0.00 0.12 0.95 -0.75 4.34 4.66 3hvnA1 ARG 465 HB2 -0.11 0.01 -0.05 -0.04 1.90 1.71 3hvnA1 ARG 465 HB3 -0.14 0.08 0.13 -0.04 1.80 1.83 3hvnA1 ARG 465 HG2 -0.08 0.07 -0.36 -0.04 1.67 1.25 3hvnA1 ARG 465 HG3 -0.04 -0.03 -0.01 -0.04 1.67 1.54 3hvnA1 ARG 465 HD2 -0.07 -0.05 -0.02 -0.04 3.22 3.04 3hvnA1 ARG 465 HD3 -0.12 0.04 -0.04 -0.04 3.22 3.05 3hvnA1 THR 466 H -0.00 0.16 0.08 -0.55 8.28 7.97 3hvnA1 THR 466 HA -0.05 -0.04 0.47 -0.75 4.39 4.01 3hvnA1 THR 466 HB -0.03 0.00 0.03 -0.04 4.32 4.27 3hvnA1 THR 466 HG23 -0.03 0.01 0.05 -0.04 1.22 1.21 3hvnA1 VAL 467 H -0.09 0.36 0.53 -0.55 8.24 8.48 3hvnA1 VAL 467 HA -0.10 0.19 0.80 -0.75 4.13 4.27 3hvnA1 VAL 467 HB -0.12 0.11 -0.03 -0.04 2.12 2.04 3hvnA1 VAL 467 HG13 -0.06 -0.02 -0.25 -0.04 0.97 0.59 3hvnA1 VAL 467 HG23 -0.18 0.01 -0.10 -0.04 0.95 0.64 3hvnA1 TYR 468 H -0.08 0.55 0.32 -0.55 8.29 8.52 3hvnA1 TYR 468 HA -0.34 0.14 0.69 -0.75 4.56 4.30 3hvnA1 TYR 468 HB2 -0.48 0.07 -0.28 -0.04 3.06 2.33 3hvnA1 TYR 468 HB3 -0.31 -0.09 -0.01 -0.04 2.98 2.53 3hvnA1 TYR 468 HD2 -0.96 0.01 -0.27 -0.04 7.15 5.89 3hvnA1 TYR 468 HE2 -0.21 -0.00 -0.08 -0.04 6.85 6.51 3hvnA1 ASP 469 H -0.73 0.21 0.02 -0.55 8.40 7.35 3hvnA1 ASP 469 HA -0.20 0.33 0.91 -0.75 4.63 4.92 3hvnA1 ASP 469 HB2 -0.10 0.00 -0.26 -0.04 2.71 2.32 3hvnA1 ASP 469 HB3 -0.12 -0.01 0.07 -0.04 2.70 2.59 3hvnA1 LYS 470 H -0.36 0.69 0.32 -0.55 8.42 8.52 3hvnA1 LYS 470 HA -0.09 0.14 0.90 -0.75 4.32 4.52 3hvnA1 LYS 470 HB2 -0.16 -0.06 -0.07 -0.04 1.87 1.55 3hvnA1 LYS 470 HB3 -0.10 0.14 -0.04 -0.04 1.79 1.75 3hvnA1 LYS 470 HG2 -0.30 0.10 0.00 -0.04 1.46 1.23 3hvnA1 LYS 470 HG3 -0.92 -0.20 -0.50 -0.04 1.46 -0.20 3hvnA1 LYS 470 HD2 -0.27 -0.04 -0.09 -0.04 1.69 1.25 3hvnA1 LYS 470 HD3 -0.12 0.05 -0.03 -0.04 1.68 1.53 3hvnA1 LYS 470 HE2 -0.21 0.03 -0.01 -0.04 2.99 2.76 3hvnA1 LYS 470 HE3 -0.69 -0.05 -0.04 -0.04 2.99 2.17 3hvnA1 ASP 471 H 0.06 0.15 0.17 -0.55 8.40 8.23 3hvnA1 ASP 471 HA 0.18 0.21 0.96 -0.75 4.63 5.23 3hvnA1 ASP 471 HB2 0.03 -0.04 0.16 -0.04 2.71 2.82 3hvnA1 ASP 471 HB3 0.04 0.05 0.01 -0.04 2.70 2.76 3hvnA1 LEU 472 H 0.04 0.67 0.17 -0.55 8.37 8.70 3hvnA1 LEU 472 HA 0.02 0.22 0.96 -0.75 4.35 4.79 3hvnA1 LEU 472 HB2 -0.00 -0.06 -0.10 -0.04 1.64 1.44 3hvnA1 LEU 472 HB3 0.00 0.10 -0.07 -0.04 1.64 1.63 3hvnA1 LEU 472 HG 0.04 -0.01 -0.36 -0.04 1.64 1.26 3hvnA1 LEU 472 HD13 0.02 -0.01 -0.14 -0.04 0.93 0.76 3hvnA1 LEU 472 HD23 0.09 0.05 -0.19 -0.04 0.89 0.80 3hvnA1 PRO 473 HA -0.00 0.03 0.58 -0.51 4.44 4.53 3hvnA1 PRO 473 HB2 0.00 -0.02 -0.02 -0.04 2.28 2.20 3hvnA1 PRO 473 HB3 0.01 0.04 0.06 -0.04 2.02 2.08 3hvnA1 PRO 473 HG2 0.01 0.04 0.07 -0.04 2.03 2.11 3hvnA1 PRO 473 HG3 0.01 0.05 0.05 -0.04 2.03 2.10 3hvnA1 PRO 473 HD2 0.01 0.08 0.21 -0.04 3.68 3.94 3hvnA1 PRO 473 HD3 0.01 0.26 0.22 -0.04 3.65 4.11 3hvnA1 LEU 474 H -0.01 0.12 0.09 -0.55 8.37 8.02 3hvnA1 LEU 474 HA -0.07 0.13 0.46 -0.75 4.35 4.12 3hvnA1 LEU 474 HB2 -0.02 -0.03 0.18 -0.04 1.64 1.72 3hvnA1 LEU 474 HB3 -0.06 0.12 0.10 -0.04 1.64 1.76 3hvnA1 LEU 474 HG -0.06 -0.14 -0.02 -0.04 1.64 1.37 3hvnA1 LEU 474 HD13 -0.10 0.03 -0.21 -0.04 0.93 0.61 3hvnA1 LEU 474 HD23 -0.19 0.01 -0.15 -0.04 0.89 0.52 3hvnA1 VAL 475 H -0.02 0.47 -0.17 -0.55 8.24 7.96 3hvnA1 VAL 475 HA -0.00 0.03 0.39 -0.75 4.13 3.80 3hvnA1 VAL 475 HB -0.00 -0.00 -0.00 -0.04 2.12 2.07 3hvnA1 VAL 475 HG13 -0.02 0.00 -0.27 -0.04 0.97 0.64 3hvnA1 VAL 475 HG23 0.00 -0.04 0.08 -0.04 0.95 0.95 3hvnA1 GLY 476 H -0.00 0.05 0.14 -0.55 8.43 8.08 3hvnA1 GLY 476 HA2 -0.01 0.15 0.39 -0.51 4.01 4.03 3hvnA1 GLY 476 HA3 -0.01 -0.05 0.38 -0.51 4.01 3.82 3hvnA1 GLN 477 H -0.01 0.30 0.07 -0.55 8.47 8.28 3hvnA1 GLN 477 HA -0.04 0.32 1.04 -0.75 4.36 4.92 3hvnA1 GLN 477 HB2 -0.02 0.01 -0.13 -0.04 2.15 1.97 3hvnA1 GLN 477 HB3 -0.02 -0.04 -0.05 -0.04 2.02 1.87 3hvnA1 GLN 477 HG2 -0.02 -0.03 -0.11 -0.04 2.40 2.20 3hvnA1 GLN 477 HG3 -0.03 -0.01 -0.34 -0.04 2.39 1.97 3hvnA1 GLN 477 HE21 -0.05 -0.08 -0.18 -0.04 6.97 6.63 3hvnA1 GLN 477 HE22 -0.04 -0.01 -0.22 -0.04 7.69 7.38 3hvnA1 ARG 478 H -0.05 0.73 0.36 -0.55 8.46 8.95 3hvnA1 ARG 478 HA -0.02 0.15 1.09 -0.75 4.34 4.81 3hvnA1 ARG 478 HB2 -0.02 -0.01 -0.00 -0.04 1.90 1.83 3hvnA1 ARG 478 HB3 -0.05 0.04 0.06 -0.04 1.80 1.81 3hvnA1 ARG 478 HG2 -0.05 -0.09 -0.17 -0.04 1.67 1.32 3hvnA1 ARG 478 HG3 -0.02 0.14 -0.30 -0.04 1.67 1.45 3hvnA1 ARG 478 HD2 0.00 -0.06 -0.14 -0.04 3.22 2.97 3hvnA1 ARG 478 HD3 0.01 0.02 -0.17 -0.04 3.22 3.04 3hvnA1 LYS 479 H -0.01 0.53 0.26 -0.55 8.42 8.65 3hvnA1 LYS 479 HA -0.03 0.20 1.06 -0.75 4.32 4.79 3hvnA1 LYS 479 HB2 -0.01 -0.05 -0.05 -0.04 1.87 1.71 3hvnA1 LYS 479 HB3 0.01 -0.03 0.08 -0.04 1.79 1.80 3hvnA1 LYS 479 HG2 0.02 0.04 -0.33 -0.04 1.46 1.15 3hvnA1 LYS 479 HG3 -0.01 -0.04 -0.13 -0.04 1.46 1.24 3hvnA1 LYS 479 HD2 -0.01 -0.02 -0.10 -0.04 1.69 1.52 3hvnA1 LYS 479 HD3 0.01 -0.00 -0.12 -0.04 1.68 1.52 3hvnA1 LYS 479 HE2 0.01 0.02 -0.17 -0.04 2.99 2.81 3hvnA1 LYS 479 HE3 -0.02 -0.02 -0.13 -0.04 2.99 2.78 3hvnA1 ILE 480 H -0.01 0.80 0.37 -0.55 8.25 8.86 3hvnA1 ILE 480 HA 0.01 0.37 1.21 -0.75 4.18 5.01 3hvnA1 ILE 480 HB -0.07 -0.01 0.20 -0.04 1.89 1.96 3hvnA1 ILE 480 HG12 -0.15 0.01 -0.09 -0.04 1.49 1.21 3hvnA1 ILE 480 HG13 -0.09 0.01 -0.28 -0.04 1.21 0.81 3hvnA1 ILE 480 HG23 -0.32 -0.03 -0.19 -0.04 0.93 0.36 3hvnA1 ILE 480 HD13 -0.31 -0.01 -0.12 -0.04 0.88 0.40 3hvnA1 THR 481 H 0.14 0.69 0.30 -0.55 8.28 8.87 3hvnA1 THR 481 HA 0.18 0.27 1.23 -0.75 4.39 5.31 3hvnA1 THR 481 HB 0.21 0.07 -0.03 -0.04 4.32 4.53 3hvnA1 THR 481 HG23 0.07 -0.02 -0.20 -0.04 1.22 1.03 3hvnA1 ILE 482 H 0.26 0.54 0.34 -0.55 8.25 8.84 3hvnA1 ILE 482 HA 0.16 0.18 0.94 -0.75 4.18 4.71 3hvnA1 ILE 482 HB 0.21 0.01 -0.03 -0.04 1.89 2.03 3hvnA1 ILE 482 HG12 0.33 0.24 0.21 -0.04 1.49 2.23 3hvnA1 ILE 482 HG13 0.49 -0.18 -0.12 -0.04 1.21 1.37 3hvnA1 ILE 482 HG23 -0.00 -0.01 -0.14 -0.04 0.93 0.74 3hvnA1 ILE 482 HD13 0.06 -0.00 -0.14 -0.04 0.88 0.75 3hvnA1 TRP 483 H -0.01 0.53 0.30 -0.55 7.97 8.25 3hvnA1 TRP 483 HA 0.06 0.04 -0.07 -0.75 4.62 3.89 3hvnA1 TRP 483 HB2 0.04 0.09 0.27 -0.04 3.23 3.58 3hvnA1 TRP 483 HB3 0.07 0.04 -0.40 -0.04 3.23 2.90 3hvnA1 TRP 483 HD1 0.05 -0.05 -0.15 -0.04 7.22 7.03 3hvnA1 TRP 483 HE1 0.05 -0.04 -0.07 -0.04 10.20 10.09 3hvnA1 TRP 483 HE3 0.05 0.04 -0.38 -0.04 7.59 7.26 3hvnA1 TRP 483 HZ2 0.01 -0.03 -0.07 -0.04 7.44 7.31 3hvnA1 TRP 483 HZ3 -0.01 -0.03 -0.36 -0.04 7.13 6.69 3hvnA1 TRP 483 HH2 -0.04 -0.01 -0.09 -0.04 7.19 7.01 3hvnA1 GLY 484 H 0.26 0.42 0.49 -0.55 8.43 9.06 3hvnA1 GLY 484 HA2 0.30 0.01 0.37 -0.51 4.01 4.18 3hvnA1 GLY 484 HA3 0.03 0.24 1.03 -0.51 4.01 4.81 3hvnA1 THR 485 H 0.16 0.57 0.32 -0.55 8.28 8.77 3hvnA1 THR 485 HA 0.20 0.12 0.75 -0.75 4.39 4.70 3hvnA1 THR 485 HB 0.13 0.04 0.06 -0.04 4.32 4.51 3hvnA1 THR 485 HG23 0.18 -0.01 0.10 -0.04 1.22 1.45 3hvnA1 THR 486 H 0.16 0.20 0.14 -0.55 8.28 8.23 3hvnA1 THR 486 HA -0.10 0.15 0.31 -0.75 4.39 3.99 3hvnA1 THR 486 HB 0.06 0.13 0.16 -0.04 4.32 4.62 3hvnA1 THR 486 HG23 0.02 -0.01 0.10 -0.04 1.22 1.29 3hvnA1 LEU 487 H 0.05 0.02 -0.15 -0.55 8.37 7.75 3hvnA1 LEU 487 HA 0.01 0.12 0.56 -0.75 4.35 4.28 3hvnA1 LEU 487 HB2 0.07 -0.03 0.01 -0.04 1.64 1.65 3hvnA1 LEU 487 HB3 0.06 0.04 0.10 -0.04 1.64 1.79 3hvnA1 LEU 487 HG 0.02 -0.08 0.02 -0.04 1.64 1.56 3hvnA1 LEU 487 HD13 0.04 0.01 0.01 -0.04 0.93 0.95 3hvnA1 LEU 487 HD23 0.02 0.02 -0.01 -0.04 0.89 0.88 3hvnA1 TYR 488 H 0.10 0.12 -0.87 -0.55 8.29 7.09 3hvnA1 TYR 488 HA -0.04 0.16 0.41 -0.75 4.56 4.34 3hvnA1 TYR 488 HB2 0.00 0.08 -0.20 -0.04 3.06 2.90 3hvnA1 TYR 488 HB3 0.01 -0.16 0.07 -0.04 2.98 2.86 3hvnA1 TYR 488 HD2 -0.01 -0.02 0.03 -0.04 7.15 7.11 3hvnA1 TYR 488 HE2 -0.02 -0.03 -0.01 -0.04 6.85 6.74 3hvnA1 PRO 489 HA -0.11 0.06 0.66 -0.51 4.44 4.54 3hvnA1 PRO 489 HB2 -0.23 0.00 -0.07 -0.04 2.28 1.95 3hvnA1 PRO 489 HB3 -0.27 -0.05 -0.07 -0.04 2.02 1.59 3hvnA1 PRO 489 HG2 -0.23 0.04 -0.03 -0.04 2.03 1.76 3hvnA1 PRO 489 HG3 -0.34 0.06 -0.08 -0.04 2.03 1.64 3hvnA1 PRO 489 HD2 -0.24 0.08 0.13 -0.04 3.68 3.61 3hvnA1 PRO 489 HD3 -0.11 0.16 -0.15 -0.04 3.65 3.50 3hvnA1 GLN 490 H -0.48 0.74 0.39 -0.55 8.47 8.57 3hvnA1 GLN 490 HA -0.57 0.13 0.92 -0.75 4.36 4.09 3hvnA1 GLN 490 HB2 -2.01 0.00 0.08 -0.04 2.15 0.18 3hvnA1 GLN 490 HB3 -0.88 0.01 0.06 -0.04 2.02 1.17 3hvnA1 GLN 490 HG2 -0.51 0.06 -0.19 -0.04 2.40 1.72 3hvnA1 GLN 490 HG3 -0.44 -0.01 -0.29 -0.04 2.39 1.61 3hvnA1 GLN 490 HE21 0.31 -0.04 -0.01 -0.04 6.97 7.20 3hvnA1 GLN 490 HE22 0.30 0.03 0.01 -0.04 7.69 7.99 3hvnA1 TYR 491 H -0.45 0.15 0.17 -0.55 8.29 7.61 3hvnA1 TYR 491 HA -0.20 0.28 1.09 -0.75 4.56 4.97 3hvnA1 TYR 491 HB2 -0.07 -0.07 -0.04 -0.04 3.06 2.84 3hvnA1 TYR 491 HB3 -0.10 0.01 -0.13 -0.04 2.98 2.72 3hvnA1 TYR 491 HD2 -0.02 -0.01 -0.15 -0.04 7.15 6.93 3hvnA1 TYR 491 HE2 0.09 -0.00 -0.01 -0.04 6.85 6.89 3hvnA1 ALA 492 H 0.29 0.20 0.08 -0.55 8.40 8.42 3hvnA1 ALA 492 HA 0.06 0.08 0.64 -0.75 4.34 4.36 3hvnA1 ALA 492 HB3 0.40 0.02 0.01 -0.04 1.41 1.80 3hvnA1 ASP 493 H 0.20 0.21 0.10 -0.55 8.40 8.36 3hvnA1 ASP 493 HA 0.07 0.23 1.03 -0.75 4.63 5.21 3hvnA1 ASP 493 HB2 0.26 -0.04 -0.01 -0.04 2.71 2.88 3hvnA1 ASP 493 HB3 0.28 -0.01 0.17 -0.04 2.70 3.10 3hvnA1 GLU 494 H 0.04 0.85 0.36 -0.55 8.60 9.30 3hvnA1 GLU 494 HA 0.05 0.18 1.03 -0.75 4.29 4.80 3hvnA1 GLU 494 HB2 0.03 0.01 0.07 -0.04 2.09 2.15 3hvnA1 GLU 494 HB3 0.02 0.01 0.01 -0.04 1.99 1.99 3hvnA1 GLU 494 HG2 0.04 0.04 -0.06 -0.04 2.34 2.32 3hvnA1 GLU 494 HG3 0.07 -0.08 -0.43 -0.04 2.34 1.85 3hvnA1 VAL 495 H 0.02 0.22 0.22 -0.55 8.24 8.16 3hvnA1 VAL 495 HA 0.00 0.22 1.20 -0.75 4.13 4.80 3hvnA1 VAL 495 HB 0.01 0.01 -0.01 -0.04 2.12 2.09 3hvnA1 VAL 495 HG13 0.02 -0.01 0.09 -0.04 0.97 1.03 3hvnA1 VAL 495 HG23 0.01 0.02 -0.05 -0.04 0.95 0.88 3hvnA1 ILE 496 H -0.00 0.78 0.37 -0.55 8.25 8.84 3hvnA1 ILE 496 HA 0.00 0.17 0.94 -0.75 4.18 4.54 3hvnA1 ILE 496 HB -0.01 0.02 0.01 -0.04 1.89 1.87 3hvnA1 ILE 496 HG12 -0.01 0.01 -0.11 -0.04 1.49 1.35 3hvnA1 ILE 496 HG13 -0.00 0.06 -0.39 -0.04 1.21 0.84 3hvnA1 ILE 496 HG23 -0.01 -0.02 0.11 -0.04 0.93 0.97 3hvnA1 ILE 496 HD13 -0.01 -0.01 -0.22 -0.04 0.88 0.60 3hvnA1 GLU 497 H -0.00 0.12 0.16 -0.55 8.60 8.33 3hvnA1 GLU 497 HA 0.00 0.17 0.97 -0.75 4.29 4.67 3hvnA1 GLU 497 HB2 0.00 0.02 0.10 -0.04 2.09 2.17 3hvnA1 GLU 497 HB3 0.01 -0.08 0.26 -0.04 1.99 2.14 3hvnA1 GLU 497 HG2 0.01 0.02 0.01 -0.04 2.34 2.34 3hvnA1 GLU 497 HG3 0.01 -0.02 -0.21 -0.04 2.34 2.08 3hvnA1 LEU 498 H 0.01 0.20 0.19 -0.55 8.37 8.22 3hvnA1 LEU 498 HA -0.00 0.20 0.68 -0.75 4.35 4.48 3hvnA1 LEU 498 HB2 0.00 -0.03 0.15 -0.04 1.64 1.72 3hvnA1 LEU 498 HB3 0.00 0.05 -0.19 -0.04 1.64 1.46 3hvnA1 LEU 498 HG 0.01 0.02 -0.21 -0.04 1.64 1.42 3hvnA1 LEU 498 HD13 0.01 0.02 -0.02 -0.04 0.93 0.90 3hvnA1 LEU 498 HD23 0.01 -0.01 -0.00 -0.04 0.89 0.85 3hvnA1 GLU 499 H 0.00 0.18 0.05 -0.55 8.60 8.29 3hvnA1 GLU 499 HA 0.00 0.06 0.21 -0.75 4.29 3.81 3hvnA1 GLU 499 HB2 0.01 0.24 0.08 -0.04 2.09 2.38 3hvnA1 GLU 499 HB3 0.01 0.02 0.11 -0.04 1.99 2.08 3hvnA1 GLU 499 HG2 0.01 0.02 0.01 -0.04 2.34 2.34 3hvnA1 GLU 499 HG3 0.01 -0.08 -0.21 -0.04 2.34 2.03