============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. HIS 7 0.900 11.027 20.380 29.526 -99.200 -91.000 TRP 24 1.040 -2.243 36.795 21.996 -99.200 -91.000 TRP6 24 1.020 -0.626 37.561 23.534 -99.200 -91.000 HIS 44 0.900 2.807 25.245 34.260 -99.200 -91.000 TYR 71 0.840 -0.098 23.531 11.089 -99.200 -91.000 PHE 87 1.000 -1.462 27.431 6.463 -99.200 -91.000 TYR 95 0.840 -4.496 28.107 12.143 -99.200 -91.000 HIS 99 0.900 6.770 29.507 12.813 -99.200 -91.000 PHE 101 1.000 8.756 23.148 14.714 -99.200 -91.000 PHE 102 1.000 6.054 17.155 8.276 -99.200 -91.000 PHE 111 1.000 9.901 17.444 2.171 -99.200 -91.000 PHE 122 1.000 -0.037 31.351 3.123 -99.200 -91.000 PHE 133 1.000 10.688 8.343 22.342 -99.200 -91.000 TYR 136 0.840 2.660 4.072 30.732 -99.200 -91.000 PHE 141 1.000 11.426 2.496 24.222 -99.200 -91.000 PHE 149 1.000 0.384 -10.782 21.114 -99.200 -91.000 TYR 152 0.840 8.219 -10.747 16.572 -99.200 -91.000 TYR 153 0.840 4.497 -13.247 19.595 -99.200 -91.000 TYR 182 0.840 25.427 3.536 15.796 -99.200 -91.000 TYR 187 0.840 19.812 -12.073 17.307 -99.200 -91.000 PHE 191 1.000 9.522 -15.830 18.402 -99.200 -91.000 PHE 197 1.000 11.845 -5.458 15.861 -99.200 -91.000 TYR 208 0.840 17.438 8.702 13.391 -99.200 -91.000 PHE 233 1.000 11.565 -11.949 28.525 -99.200 -91.000 HIS 241 0.900 -4.830 -11.876 39.446 -99.200 -91.000 PHE 245 1.000 -1.005 2.073 45.097 -99.200 -91.000 TYR 250 0.840 -2.325 1.348 35.296 -99.200 -91.000 TYR 260 0.840 -8.854 4.945 41.460 -99.200 -91.000 TYR 262 0.840 -15.523 10.919 41.845 -99.200 -91.000 TRP 273 1.040 1.653 6.671 39.803 -99.200 -91.000 TRP6 273 1.020 0.422 4.889 40.729 -99.200 -91.000 HIS 278 0.900 8.116 1.388 40.523 -99.200 -91.000 HIS 280 0.900 3.156 -6.621 48.936 -99.200 -91.000 PHE 295 1.000 0.301 18.861 52.743 -99.200 -91.000 TYR 315 0.840 -1.981 24.296 52.888 -99.200 -91.000 TYR 322 0.840 -0.643 13.525 51.013 -99.200 -91.000 HIS 325 0.900 -1.632 8.362 45.016 -99.200 -91.000 HIS 327 0.900 -11.745 7.104 48.098 -99.200 -91.000 TYR 336 0.840 -5.000 -10.182 48.667 -99.200 -91.000 HIS 339 0.900 -11.449 -11.701 42.515 -99.200 -91.000 HIS 364 0.900 1.323 -29.919 39.840 -99.200 -91.000 TYR 380 0.840 -10.512 -12.791 29.313 -99.200 -91.000 TYR 389 0.840 -1.410 -28.254 35.326 -99.200 -91.000 HIS 392 0.900 4.749 -27.053 37.432 -99.200 -91.000 HIS 407 0.900 -12.646 -30.762 35.404 -99.200 -91.000 HIS 409 0.900 -18.429 -25.606 33.684 -99.200 -91.000 TRP 416 1.040 -10.046 -22.164 19.400 -99.200 -91.000 TRP6 416 1.020 -8.710 -23.912 18.537 -99.200 -91.000 TYR 441 0.840 9.500 -19.421 30.282 -99.200 -91.000 HIS 442 0.900 9.078 -23.158 34.180 -99.200 -91.000 HIS 444 0.900 12.895 -25.826 36.204 -99.200 -91.000 HIS 453 0.900 10.432 -16.160 48.312 -99.200 -91.000 TYR 455 0.840 5.118 -8.166 51.897 -99.200 -91.000 TRP 460 1.040 7.615 -14.256 38.486 -99.200 -91.000 TRP6 460 1.020 8.465 -16.187 37.423 -99.200 -91.000 TYR 463 0.840 14.949 -15.372 31.814 -99.200 -91.000 HIS 480 0.900 20.862 -19.750 25.396 -99.200 -91.000 TYR 481 0.840 19.384 -13.501 26.310 -99.200 -91.000 PHE 483 1.000 27.087 -7.840 21.952 -99.200 -91.000 PHE 497 1.000 10.325 -2.737 21.104 -99.200 -91.000 TYR 504 0.840 1.375 -1.256 34.326 -99.200 -91.000 TYR 511 0.840 10.976 2.922 36.912 -99.200 -91.000 TRP 521 1.040 26.050 -0.787 33.124 -99.200 -91.000 TRP6 521 1.020 25.530 -1.328 30.885 -99.200 -91.000 HIS 529 0.900 1.080 -4.684 23.284 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1fvhA1 ALA 2 HA 0.04 0.03 0.22 -0.75 4.34 3.88 1fvhA1 ALA 2 HB3 0.05 0.03 0.05 -0.04 1.41 1.50 1fvhA1 LEU 3 H 0.08 0.29 0.18 -0.55 8.37 8.38 1fvhA1 LEU 3 HA 0.06 0.19 0.60 -0.75 4.35 4.44 1fvhA1 LEU 3 HB2 0.06 0.06 -0.04 -0.04 1.64 1.68 1fvhA1 LEU 3 HB3 0.10 0.09 0.03 -0.04 1.64 1.82 1fvhA1 LEU 3 HG 0.19 -0.01 -0.46 -0.04 1.64 1.31 1fvhA1 LEU 3 HD13 0.13 -0.00 -0.16 -0.04 0.93 0.86 1fvhA1 LEU 3 HD23 0.19 -0.01 -0.31 -0.04 0.89 0.71 1fvhA1 LYS 4 H 0.11 0.11 0.06 -0.55 8.42 8.14 1fvhA1 LYS 4 HA 0.14 0.06 0.24 -0.75 4.32 4.00 1fvhA1 LYS 4 HB2 0.11 -0.10 0.01 -0.04 1.87 1.85 1fvhA1 LYS 4 HB3 0.07 0.06 -0.04 -0.04 1.79 1.85 1fvhA1 LYS 4 HG2 0.08 0.07 -0.07 -0.04 1.46 1.49 1fvhA1 LYS 4 HG3 0.11 0.03 -0.07 -0.04 1.46 1.49 1fvhA1 LYS 4 HD2 0.11 -0.17 -0.25 -0.04 1.69 1.34 1fvhA1 LYS 4 HD3 0.07 -0.03 -0.05 -0.04 1.68 1.63 1fvhA1 LYS 4 HE2 0.08 -0.25 0.02 -0.04 2.99 2.80 1fvhA1 LYS 4 HE3 0.07 0.32 0.02 -0.04 2.99 3.36 1fvhA1 THR 5 H 0.07 0.17 -0.58 -0.55 8.28 7.39 1fvhA1 THR 5 HA 0.09 0.12 0.62 -0.75 4.39 4.46 1fvhA1 THR 5 HB 0.04 -0.01 -0.00 -0.04 4.32 4.30 1fvhA1 THR 5 HG23 -0.00 0.01 -0.04 -0.04 1.22 1.15 1fvhA1 ALA 6 H 0.08 0.32 -0.14 -0.55 8.40 8.11 1fvhA1 ALA 6 HA 0.06 0.01 0.33 -0.75 4.34 4.00 1fvhA1 ALA 6 HB3 0.07 0.10 0.11 -0.04 1.41 1.64 1fvhA1 VAL 7 H 0.11 0.27 -0.60 -0.55 8.24 7.48 1fvhA1 VAL 7 HA 0.05 0.07 0.46 -0.75 4.13 3.96 1fvhA1 VAL 7 HB 0.08 0.11 0.07 -0.04 2.12 2.34 1fvhA1 VAL 7 HG13 -0.04 -0.01 -0.09 -0.04 0.97 0.79 1fvhA1 VAL 7 HG23 0.18 0.04 -0.07 -0.04 0.95 1.06 1fvhA1 HIS 8 H 0.15 0.31 0.04 -0.55 8.41 8.37 1fvhA1 HIS 8 HA -0.01 -0.04 0.34 -0.75 4.63 4.16 1fvhA1 HIS 8 HB2 0.01 0.16 0.29 -0.04 3.26 3.68 1fvhA1 HIS 8 HB3 0.01 0.15 0.30 -0.04 3.20 3.62 1fvhA1 HIS 8 HD2 -0.02 0.23 0.21 -0.04 6.97 7.34 1fvhA1 HIS 8 HE1 -0.01 -0.01 -0.04 -0.04 7.75 7.65 1fvhA1 GLU 9 H 0.09 0.60 -0.45 -0.55 8.60 8.29 1fvhA1 GLU 9 HA -0.10 -0.04 0.47 -0.75 4.29 3.86 1fvhA1 GLU 9 HB2 0.06 0.15 0.03 -0.04 2.09 2.28 1fvhA1 GLU 9 HB3 0.01 0.02 -0.07 -0.04 1.99 1.91 1fvhA1 GLU 9 HG2 0.03 -0.05 0.01 -0.04 2.34 2.29 1fvhA1 GLU 9 HG3 0.14 -0.04 -0.06 -0.04 2.34 2.33 1fvhA1 LYS 10 H -0.01 0.48 -0.03 -0.55 8.42 8.30 1fvhA1 LYS 10 HA -0.03 0.04 0.46 -0.75 4.32 4.03 1fvhA1 LYS 10 HB2 -0.02 0.00 0.12 -0.04 1.87 1.93 1fvhA1 LYS 10 HB3 -0.01 -0.03 0.02 -0.04 1.79 1.72 1fvhA1 LYS 10 HG2 0.02 -0.04 0.06 -0.04 1.46 1.46 1fvhA1 LYS 10 HG3 0.03 0.31 0.21 -0.04 1.46 1.96 1fvhA1 LYS 10 HD2 0.07 0.01 0.02 -0.04 1.69 1.74 1fvhA1 LYS 10 HD3 0.04 -0.09 -0.01 -0.04 1.68 1.57 1fvhA1 LYS 10 HE2 0.05 0.04 0.06 -0.04 2.99 3.09 1fvhA1 LYS 10 HE3 0.05 -0.07 0.04 -0.04 2.99 2.96 1fvhA1 ILE 11 H -0.10 0.60 -0.17 -0.55 8.25 8.03 1fvhA1 ILE 11 HA -0.16 0.01 0.32 -0.75 4.18 3.60 1fvhA1 ILE 11 HB -0.16 0.13 0.09 -0.04 1.89 1.91 1fvhA1 ILE 11 HG12 -0.07 0.25 -0.07 -0.04 1.49 1.56 1fvhA1 ILE 11 HG13 -0.06 -0.02 -0.13 -0.04 1.21 0.96 1fvhA1 ILE 11 HG23 -0.12 -0.03 -0.15 -0.04 0.93 0.59 1fvhA1 ILE 11 HD13 -0.08 -0.02 -0.15 -0.04 0.88 0.58 1fvhA1 MET 12 H -0.28 0.78 0.05 -0.55 8.47 8.47 1fvhA1 MET 12 HA -0.18 -0.04 0.44 -0.75 4.52 3.98 1fvhA1 MET 12 HB2 -0.41 0.11 0.14 -0.04 2.15 1.95 1fvhA1 MET 12 HB3 -0.19 -0.02 -0.03 -0.04 2.03 1.75 1fvhA1 MET 12 HG2 -0.71 0.12 0.09 -0.04 2.63 2.09 1fvhA1 MET 12 HG3 -0.48 -0.04 0.00 -0.04 2.56 2.01 1fvhA1 MET 12 HE3 -0.07 0.04 -0.00 -0.04 2.10 2.02 1fvhA1 ASN 13 H -0.13 0.62 -0.07 -0.55 8.53 8.41 1fvhA1 ASN 13 HA -0.07 0.12 0.83 -0.75 4.76 4.89 1fvhA1 ASN 13 HB2 -0.04 0.22 0.11 -0.04 2.88 3.13 1fvhA1 ASN 13 HB3 -0.03 -0.02 0.00 -0.04 2.79 2.70 1fvhA1 ASN 13 HD21 0.00 -0.05 -0.02 -0.04 7.03 6.93 1fvhA1 ASN 13 HD22 -0.01 0.07 0.03 -0.04 7.74 7.78 1fvhA1 ASP 14 H -0.11 0.38 -0.12 -0.55 8.40 8.01 1fvhA1 ASP 14 HA -0.04 0.17 0.76 -0.75 4.63 4.76 1fvhA1 ASP 14 HB2 -0.07 0.30 0.17 -0.04 2.71 3.07 1fvhA1 ASP 14 HB3 -0.01 -0.07 0.13 -0.04 2.70 2.71 1fvhA1 VAL 15 H -0.21 0.11 -0.45 -0.55 8.24 7.14 1fvhA1 VAL 15 HA -0.91 0.17 0.76 -0.75 4.13 3.39 1fvhA1 VAL 15 HB -0.34 0.20 0.21 -0.04 2.12 2.15 1fvhA1 VAL 15 HG13 -0.71 -0.03 -0.17 -0.04 0.97 0.02 1fvhA1 VAL 15 HG23 -0.61 0.02 -0.28 -0.04 0.95 0.04 1fvhA1 VAL 16 H -0.22 0.49 0.16 -0.55 8.24 8.12 1fvhA1 VAL 16 HA -0.13 0.00 0.29 -0.75 4.13 3.53 1fvhA1 VAL 16 HB -0.12 0.09 0.18 -0.04 2.12 2.23 1fvhA1 VAL 16 HG13 -0.07 0.01 -0.03 -0.04 0.97 0.83 1fvhA1 VAL 16 HG23 -0.14 0.01 -0.02 -0.04 0.95 0.77 1fvhA1 LEU 17 H -0.11 0.47 -0.04 -0.55 8.37 8.15 1fvhA1 LEU 17 HA -0.05 0.12 0.72 -0.75 4.35 4.39 1fvhA1 LEU 17 HB2 -0.06 0.30 0.33 -0.04 1.64 2.16 1fvhA1 LEU 17 HB3 -0.03 0.00 -0.02 -0.04 1.64 1.55 1fvhA1 LEU 17 HG -0.02 -0.02 0.07 -0.04 1.64 1.62 1fvhA1 LEU 17 HD13 -0.04 0.01 -0.01 -0.04 0.93 0.84 1fvhA1 LEU 17 HD23 -0.03 -0.02 -0.05 -0.04 0.89 0.76 1fvhA1 ALA 18 H -0.08 0.00 -0.53 -0.55 8.40 7.24 1fvhA1 ALA 18 HA -0.01 0.06 0.34 -0.75 4.34 3.98 1fvhA1 ALA 18 HB3 0.01 0.06 -0.14 -0.04 1.41 1.29 1fvhA1 VAL 19 H -0.07 0.30 -0.51 -0.55 8.24 7.41 1fvhA1 VAL 19 HA -0.09 0.13 0.61 -0.75 4.13 4.02 1fvhA1 VAL 19 HB -0.05 -0.03 -0.08 -0.04 2.12 1.92 1fvhA1 VAL 19 HG13 -0.11 0.04 -0.11 -0.04 0.97 0.75 1fvhA1 VAL 19 HG23 -0.91 -0.04 -0.07 -0.04 0.95 -0.11 1fvhA1 LYS 20 H -0.05 0.21 -0.30 -0.55 8.42 7.73 1fvhA1 LYS 20 HA -0.02 -0.03 0.54 -0.75 4.32 4.06 1fvhA1 LYS 20 HB2 -0.02 0.15 0.20 -0.04 1.87 2.16 1fvhA1 LYS 20 HB3 -0.02 0.07 0.27 -0.04 1.79 2.07 1fvhA1 LYS 20 HG2 0.01 -0.09 -0.15 -0.04 1.46 1.19 1fvhA1 LYS 20 HG3 0.02 0.13 0.02 -0.04 1.46 1.60 1fvhA1 LYS 20 HD2 0.01 0.20 0.04 -0.04 1.69 1.90 1fvhA1 LYS 20 HD3 0.01 -0.06 0.03 -0.04 1.68 1.61 1fvhA1 LYS 20 HE2 0.03 -0.09 -0.13 -0.04 2.99 2.75 1fvhA1 LYS 20 HE3 0.05 0.07 -0.16 -0.04 2.99 2.91 1fvhA1 LYS 21 H 0.01 0.21 0.29 -0.55 8.42 8.38 1fvhA1 LYS 21 HA 0.01 0.18 0.75 -0.75 4.32 4.52 1fvhA1 LYS 21 HB2 0.03 -0.02 0.08 -0.04 1.87 1.92 1fvhA1 LYS 21 HB3 0.02 -0.08 0.13 -0.04 1.79 1.83 1fvhA1 LYS 21 HG2 0.02 0.03 -0.06 -0.04 1.46 1.41 1fvhA1 LYS 21 HG3 0.03 0.16 -0.08 -0.04 1.46 1.53 1fvhA1 LYS 21 HD2 0.04 -0.06 0.02 -0.04 1.69 1.65 1fvhA1 LYS 21 HD3 0.03 -0.05 0.02 -0.04 1.68 1.64 1fvhA1 LYS 21 HE2 0.09 0.06 0.01 -0.04 2.99 3.11 1fvhA1 LYS 21 HE3 0.06 -0.05 0.01 -0.04 2.99 2.97 1fvhA1 ASN 22 H 0.02 0.21 0.04 -0.55 8.53 8.25 1fvhA1 ASN 22 HA 0.02 0.11 0.30 -0.75 4.76 4.43 1fvhA1 ASN 22 HB2 0.00 -0.22 0.20 -0.04 2.88 2.82 1fvhA1 ASN 22 HB3 0.01 0.28 0.11 -0.04 2.79 3.15 1fvhA1 ASN 22 HD21 0.03 0.03 -0.09 -0.04 7.03 6.96 1fvhA1 ASN 22 HD22 0.02 0.10 -0.17 -0.04 7.74 7.65 1fvhA1 ALA 23 H 0.01 0.12 0.11 -0.55 8.40 8.09 1fvhA1 ALA 23 HA 0.11 0.21 0.45 -0.75 4.34 4.35 1fvhA1 ALA 23 HB3 0.03 -0.00 0.09 -0.04 1.41 1.49 1fvhA1 GLU 24 H 0.02 0.02 -0.43 -0.55 8.60 7.66 1fvhA1 GLU 24 HA -0.21 0.01 0.53 -0.75 4.29 3.86 1fvhA1 GLU 24 HB2 0.03 0.01 0.04 -0.04 2.09 2.12 1fvhA1 GLU 24 HB3 -0.02 0.11 0.04 -0.04 1.99 2.08 1fvhA1 GLU 24 HG2 -0.04 -0.11 -0.02 -0.04 2.34 2.13 1fvhA1 GLU 24 HG3 -0.04 0.05 0.01 -0.04 2.34 2.32 1fvhA1 TRP 25 H -0.07 0.01 0.20 -0.55 7.97 7.56 1fvhA1 TRP 25 HA -0.01 0.18 0.46 -0.75 4.62 4.50 1fvhA1 TRP 25 HB2 0.00 -0.07 0.05 -0.04 3.23 3.17 1fvhA1 TRP 25 HB3 -0.01 0.02 0.08 -0.04 3.23 3.28 1fvhA1 TRP 25 HD1 0.00 -0.02 0.00 -0.04 7.22 7.16 1fvhA1 TRP 25 HE1 0.00 -0.04 0.01 -0.04 10.20 10.14 1fvhA1 TRP 25 HE3 -0.00 0.04 -0.16 -0.04 7.59 7.42 1fvhA1 TRP 25 HZ2 0.00 -0.05 0.01 -0.04 7.44 7.37 1fvhA1 TRP 25 HZ3 0.00 0.05 0.01 -0.04 7.13 7.16 1fvhA1 TRP 25 HH2 0.00 -0.04 0.01 -0.04 7.19 7.12 1fvhA1 LYS 26 H 0.13 0.53 0.45 -0.55 8.42 8.98 1fvhA1 LYS 26 HA 0.08 0.16 0.81 -0.75 4.32 4.61 1fvhA1 LYS 26 HB2 0.04 0.02 -0.17 -0.04 1.87 1.72 1fvhA1 LYS 26 HB3 0.01 -0.08 -0.04 -0.04 1.79 1.64 1fvhA1 LYS 26 HG2 0.09 -0.09 -0.03 -0.04 1.46 1.39 1fvhA1 LYS 26 HG3 0.09 0.20 -0.38 -0.04 1.46 1.33 1fvhA1 LYS 26 HD2 -0.00 0.04 -0.18 -0.04 1.69 1.51 1fvhA1 LYS 26 HD3 0.01 -0.08 -0.21 -0.04 1.68 1.36 1fvhA1 LYS 26 HE2 -0.15 0.07 -0.18 -0.04 2.99 2.69 1fvhA1 LYS 26 HE3 0.11 -0.09 -0.11 -0.04 2.99 2.85 1fvhA1 VAL 27 H -0.09 0.53 0.32 -0.55 8.24 8.45 1fvhA1 VAL 27 HA -0.09 0.17 1.16 -0.75 4.13 4.61 1fvhA1 VAL 27 HB -0.20 0.00 -0.04 -0.04 2.12 1.84 1fvhA1 VAL 27 HG13 -0.04 0.02 -0.19 -0.04 0.97 0.72 1fvhA1 VAL 27 HG23 -0.72 0.03 -0.05 -0.04 0.95 0.17 1fvhA1 LEU 28 H -0.10 0.60 0.35 -0.55 8.37 8.67 1fvhA1 LEU 28 HA -0.13 0.24 0.98 -0.75 4.35 4.68 1fvhA1 LEU 28 HB2 -0.08 0.01 0.00 -0.04 1.64 1.54 1fvhA1 LEU 28 HB3 -0.07 -0.06 0.18 -0.04 1.64 1.65 1fvhA1 LEU 28 HG -0.05 -0.07 -0.23 -0.04 1.64 1.25 1fvhA1 LEU 28 HD13 -0.06 0.06 -0.07 -0.04 0.93 0.81 1fvhA1 LEU 28 HD23 -0.06 -0.00 -0.10 -0.04 0.89 0.69 1fvhA1 ILE 29 H -0.23 0.89 0.33 -0.55 8.25 8.69 1fvhA1 ILE 29 HA -0.07 0.11 0.84 -0.75 4.18 4.31 1fvhA1 ILE 29 HB -0.66 0.05 0.05 -0.04 1.89 1.29 1fvhA1 ILE 29 HG12 -0.39 0.04 -0.17 -0.04 1.49 0.94 1fvhA1 ILE 29 HG13 -0.04 0.01 -0.21 -0.04 1.21 0.93 1fvhA1 ILE 29 HG23 0.21 -0.03 -0.26 -0.04 0.93 0.81 1fvhA1 ILE 29 HD13 -0.37 0.07 -0.61 -0.04 0.88 -0.07 1fvhA1 VAL 30 H 0.01 0.54 0.17 -0.55 8.24 8.42 1fvhA1 VAL 30 HA 0.07 0.31 0.99 -0.75 4.13 4.75 1fvhA1 VAL 30 HB 0.03 -0.13 0.19 -0.04 2.12 2.17 1fvhA1 VAL 30 HG13 0.00 0.04 -0.14 -0.04 0.97 0.83 1fvhA1 VAL 30 HG23 0.01 0.02 -0.04 -0.04 0.95 0.90 1fvhA1 ASP 31 H 0.06 0.24 0.31 -0.55 8.40 8.46 1fvhA1 ASP 31 HA 0.06 0.16 0.94 -0.75 4.63 5.04 1fvhA1 ASP 31 HB2 0.07 -0.02 0.24 -0.04 2.71 2.96 1fvhA1 ASP 31 HB3 0.10 0.09 0.07 -0.04 2.70 2.92 1fvhA1 GLN 32 H 0.05 0.14 0.18 -0.55 8.47 8.29 1fvhA1 GLN 32 HA 0.03 0.15 0.39 -0.75 4.36 4.18 1fvhA1 GLN 32 HB2 0.04 -0.07 0.17 -0.04 2.15 2.24 1fvhA1 GLN 32 HB3 0.03 0.11 0.05 -0.04 2.02 2.17 1fvhA1 GLN 32 HG2 0.04 -0.11 0.18 -0.04 2.40 2.47 1fvhA1 GLN 32 HG3 0.03 0.06 0.09 -0.04 2.39 2.53 1fvhA1 GLN 32 HE21 0.03 0.10 -0.00 -0.04 6.97 7.06 1fvhA1 GLN 32 HE22 0.04 -0.12 0.03 -0.04 7.69 7.59 1fvhA1 LEU 33 H 0.04 0.01 -0.08 -0.55 8.37 7.80 1fvhA1 LEU 33 HA 0.03 0.15 0.51 -0.75 4.35 4.29 1fvhA1 LEU 33 HB2 0.04 -0.06 0.12 -0.04 1.64 1.70 1fvhA1 LEU 33 HB3 0.03 0.02 0.02 -0.04 1.64 1.68 1fvhA1 LEU 33 HG 0.04 0.03 -0.01 -0.04 1.64 1.66 1fvhA1 LEU 33 HD13 0.04 0.02 -0.08 -0.04 0.93 0.88 1fvhA1 LEU 33 HD23 0.03 0.02 -0.09 -0.04 0.89 0.81 1fvhA1 SER 34 H 0.04 -0.04 -0.04 -0.55 8.46 7.88 1fvhA1 SER 34 HA 0.01 0.12 0.30 -0.75 4.49 4.16 1fvhA1 SER 34 HB2 0.03 0.15 -0.01 -0.04 3.95 4.08 1fvhA1 SER 34 HB3 0.05 -0.12 0.02 -0.04 3.93 3.84 1fvhA1 MET 35 H 0.03 0.43 -0.24 -0.55 8.47 8.14 1fvhA1 MET 35 HA 0.01 0.04 0.32 -0.75 4.52 4.13 1fvhA1 MET 35 HB2 0.02 -0.02 0.01 -0.04 2.15 2.12 1fvhA1 MET 35 HB3 0.02 0.10 0.04 -0.04 2.03 2.16 1fvhA1 MET 35 HG2 0.01 -0.01 -0.08 -0.04 2.63 2.51 1fvhA1 MET 35 HG3 0.01 0.01 -0.29 -0.04 2.56 2.25 1fvhA1 MET 35 HE3 -0.00 -0.02 -0.02 -0.04 2.10 2.02 1fvhA1 ARG 36 H 0.02 0.33 -0.16 -0.55 8.46 8.10 1fvhA1 ARG 36 HA 0.03 0.01 0.39 -0.75 4.34 4.01 1fvhA1 ARG 36 HB2 0.03 -0.01 0.14 -0.04 1.90 2.02 1fvhA1 ARG 36 HB3 0.05 -0.05 0.07 -0.04 1.80 1.82 1fvhA1 ARG 36 HG2 0.03 -0.05 0.13 -0.04 1.67 1.74 1fvhA1 ARG 36 HG3 0.03 0.29 0.45 -0.04 1.67 2.39 1fvhA1 ARG 36 HD2 0.03 -0.07 -0.04 -0.04 3.22 3.10 1fvhA1 ARG 36 HD3 0.04 -0.07 0.08 -0.04 3.22 3.22 1fvhA1 MET 37 H 0.01 0.46 -0.06 -0.55 8.47 8.33 1fvhA1 MET 37 HA -0.01 -0.04 0.37 -0.75 4.52 4.08 1fvhA1 MET 37 HB2 -0.05 -0.10 0.02 -0.04 2.15 1.97 1fvhA1 MET 37 HB3 -0.04 0.18 0.15 -0.04 2.03 2.27 1fvhA1 MET 37 HG2 -0.19 0.02 0.08 -0.04 2.63 2.50 1fvhA1 MET 37 HG3 -0.18 0.04 -0.01 -0.04 2.56 2.37 1fvhA1 MET 37 HE3 -0.06 -0.02 -0.08 -0.04 2.10 1.90 1fvhA1 VAL 38 H -0.01 0.55 -0.26 -0.55 8.24 7.98 1fvhA1 VAL 38 HA -0.02 0.01 0.37 -0.75 4.13 3.75 1fvhA1 VAL 38 HB -0.01 0.06 0.09 -0.04 2.12 2.22 1fvhA1 VAL 38 HG13 -0.03 -0.01 -0.15 -0.04 0.97 0.73 1fvhA1 VAL 38 HG23 -0.03 0.07 -0.08 -0.04 0.95 0.87 1fvhA1 SER 39 H 0.01 0.67 0.04 -0.55 8.46 8.64 1fvhA1 SER 39 HA 0.01 0.03 0.40 -0.75 4.49 4.18 1fvhA1 SER 39 HB2 0.04 0.05 0.16 -0.04 3.95 4.16 1fvhA1 SER 39 HB3 0.03 -0.09 0.05 -0.04 3.93 3.87 1fvhA1 ALA 40 H 0.05 0.47 -0.16 -0.55 8.40 8.21 1fvhA1 ALA 40 HA 0.07 -0.08 0.39 -0.75 4.34 3.97 1fvhA1 ALA 40 HB3 0.10 0.05 0.07 -0.04 1.41 1.58 1fvhA1 CYS 41 H 0.05 0.31 -0.12 -0.55 8.50 8.19 1fvhA1 CYS 41 HA 0.07 0.13 0.86 -0.75 4.58 4.88 1fvhA1 CYS 41 HB2 0.13 -0.08 0.23 -0.04 2.97 3.22 1fvhA1 CYS 41 HB3 0.09 -0.00 0.11 -0.04 2.97 3.13 1fvhA1 CYS 42 H 0.04 0.47 -0.16 -0.55 8.50 8.31 1fvhA1 CYS 42 HA 0.11 0.11 1.02 -0.75 4.58 5.07 1fvhA1 CYS 42 HB2 -0.01 0.11 -0.00 -0.04 2.97 3.03 1fvhA1 CYS 42 HB3 -0.02 -0.00 -0.08 -0.04 2.97 2.83 1fvhA1 LYS 43 H -0.05 0.13 0.13 -0.55 8.42 8.08 1fvhA1 LYS 43 HA -0.05 0.13 0.55 -0.75 4.32 4.20 1fvhA1 LYS 43 HB2 -0.53 -0.13 0.08 -0.04 1.87 1.25 1fvhA1 LYS 43 HB3 -0.18 -0.03 0.09 -0.04 1.79 1.62 1fvhA1 LYS 43 HG2 -0.05 0.05 0.07 -0.04 1.46 1.48 1fvhA1 LYS 43 HG3 0.00 0.03 0.04 -0.04 1.46 1.49 1fvhA1 LYS 43 HD2 0.07 -0.02 0.03 -0.04 1.69 1.72 1fvhA1 LYS 43 HD3 0.01 0.06 -0.09 -0.04 1.68 1.61 1fvhA1 LYS 43 HE2 -0.01 0.06 -0.05 -0.04 2.99 2.95 1fvhA1 LYS 43 HE3 0.03 0.00 0.00 -0.04 2.99 2.99 1fvhA1 MET 44 H -0.03 0.17 0.17 -0.55 8.47 8.23 1fvhA1 MET 44 HA -0.06 0.14 0.32 -0.75 4.52 4.16 1fvhA1 MET 44 HB2 0.03 -0.04 0.16 -0.04 2.15 2.26 1fvhA1 MET 44 HB3 -0.01 0.03 -0.02 -0.04 2.03 2.00 1fvhA1 MET 44 HG2 -0.00 0.02 0.09 -0.04 2.63 2.71 1fvhA1 MET 44 HG3 -0.00 0.02 0.03 -0.04 2.56 2.56 1fvhA1 MET 44 HE3 -0.02 -0.00 -0.10 -0.04 2.10 1.94 1fvhA1 HIS 45 H 0.08 0.11 -0.06 -0.55 8.41 7.98 1fvhA1 HIS 45 HA -0.03 0.08 0.33 -0.75 4.63 4.26 1fvhA1 HIS 45 HB2 -0.02 0.08 -0.03 -0.04 3.26 3.25 1fvhA1 HIS 45 HB3 -0.02 0.02 0.07 -0.04 3.20 3.22 1fvhA1 HIS 45 HD2 -0.00 0.08 -0.18 -0.04 6.97 6.82 1fvhA1 HIS 45 HE1 -0.00 0.04 0.02 -0.04 7.75 7.76 1fvhA1 GLU 46 H -0.79 0.04 -0.44 -0.55 8.60 6.86 1fvhA1 GLU 46 HA -0.08 0.04 0.24 -0.75 4.29 3.73 1fvhA1 GLU 46 HB2 -0.17 0.28 0.09 -0.04 2.09 2.24 1fvhA1 GLU 46 HB3 -0.05 0.05 -0.03 -0.04 1.99 1.92 1fvhA1 GLU 46 HG2 -0.10 0.02 0.04 -0.04 2.34 2.25 1fvhA1 GLU 46 HG3 -0.32 -0.13 0.07 -0.04 2.34 1.92 1fvhA1 ILE 47 H -0.11 0.33 -0.47 -0.55 8.25 7.45 1fvhA1 ILE 47 HA -0.07 0.15 0.68 -0.75 4.18 4.19 1fvhA1 ILE 47 HB -0.07 0.08 0.06 -0.04 1.89 1.92 1fvhA1 ILE 47 HG12 -0.09 -0.00 -0.11 -0.04 1.49 1.25 1fvhA1 ILE 47 HG13 -0.08 -0.03 -0.16 -0.04 1.21 0.90 1fvhA1 ILE 47 HG23 -0.07 -0.02 -0.14 -0.04 0.93 0.66 1fvhA1 ILE 47 HD13 -0.06 -0.01 -0.13 -0.04 0.88 0.64 1fvhA1 MET 48 H -0.05 0.44 0.11 -0.55 8.47 8.42 1fvhA1 MET 48 HA -0.08 0.24 0.45 -0.75 4.52 4.38 1fvhA1 MET 48 HB2 -0.02 -0.07 0.03 -0.04 2.15 2.05 1fvhA1 MET 48 HB3 -0.07 0.02 0.09 -0.04 2.03 2.03 1fvhA1 MET 48 HG2 -0.04 0.31 -0.04 -0.04 2.63 2.82 1fvhA1 MET 48 HG3 -0.04 -0.09 -0.11 -0.04 2.56 2.28 1fvhA1 MET 48 HE3 -0.08 -0.01 -0.31 -0.04 2.10 1.66 1fvhA1 SER 49 H -0.03 0.43 -0.51 -0.55 8.46 7.81 1fvhA1 SER 49 HA -0.05 0.13 0.76 -0.75 4.49 4.58 1fvhA1 SER 49 HB2 0.01 -0.05 0.11 -0.04 3.95 3.98 1fvhA1 SER 49 HB3 0.03 -0.09 -0.03 -0.04 3.93 3.80 1fvhA1 GLU 50 H -0.04 0.36 -0.35 -0.55 8.60 8.02 1fvhA1 GLU 50 HA 0.00 0.19 0.84 -0.75 4.29 4.57 1fvhA1 GLU 50 HB2 -0.04 0.10 0.14 -0.04 2.09 2.24 1fvhA1 GLU 50 HB3 -0.03 0.00 0.17 -0.04 1.99 2.10 1fvhA1 GLU 50 HG2 -0.01 -0.05 -0.32 -0.04 2.34 1.92 1fvhA1 GLU 50 HG3 -0.03 0.01 0.04 -0.04 2.34 2.32 1fvhA1 GLY 51 H -0.03 0.16 -0.26 -0.55 8.43 7.75 1fvhA1 GLY 51 HA2 0.11 0.02 0.18 -0.51 4.01 3.81 1fvhA1 GLY 51 HA3 0.06 0.29 0.79 -0.51 4.01 4.63 1fvhA1 ILE 52 H -0.05 0.23 -0.18 -0.55 8.25 7.71 1fvhA1 ILE 52 HA -0.04 0.13 0.59 -0.75 4.18 4.11 1fvhA1 ILE 52 HB -0.07 0.07 -0.15 -0.04 1.89 1.71 1fvhA1 ILE 52 HG12 -0.07 -0.07 -0.14 -0.04 1.49 1.17 1fvhA1 ILE 52 HG13 -0.05 -0.00 -0.24 -0.04 1.21 0.88 1fvhA1 ILE 52 HG23 -0.07 -0.04 -0.19 -0.04 0.93 0.58 1fvhA1 ILE 52 HD13 -0.05 0.02 -0.16 -0.04 0.88 0.65 1fvhA1 THR 53 H -0.08 0.52 0.38 -0.55 8.28 8.54 1fvhA1 THR 53 HA -0.20 0.24 0.97 -0.75 4.39 4.64 1fvhA1 THR 53 HB -0.51 0.03 -0.02 -0.04 4.32 3.78 1fvhA1 THR 53 HG23 -0.07 0.05 0.04 -0.04 1.22 1.20 1fvhA1 LEU 54 H -0.08 0.15 0.12 -0.55 8.37 8.02 1fvhA1 LEU 54 HA -0.05 0.06 0.59 -0.75 4.35 4.19 1fvhA1 LEU 54 HB2 -0.05 0.24 -0.30 -0.04 1.64 1.50 1fvhA1 LEU 54 HB3 -0.04 -0.04 -0.09 -0.04 1.64 1.43 1fvhA1 LEU 54 HG -0.02 0.01 0.01 -0.04 1.64 1.60 1fvhA1 LEU 54 HD13 0.01 0.00 -0.08 -0.04 0.93 0.82 1fvhA1 LEU 54 HD23 -0.01 0.00 -0.43 -0.04 0.89 0.41 1fvhA1 VAL 55 H -0.03 0.22 0.15 -0.55 8.24 8.02 1fvhA1 VAL 55 HA -0.05 0.30 1.16 -0.75 4.13 4.78 1fvhA1 VAL 55 HB -0.02 -0.03 0.12 -0.04 2.12 2.14 1fvhA1 VAL 55 HG13 -0.02 0.02 -0.07 -0.04 0.97 0.85 1fvhA1 VAL 55 HG23 -0.04 -0.01 -0.13 -0.04 0.95 0.72 1fvhA1 GLU 56 H -0.04 0.66 0.32 -0.55 8.60 8.99 1fvhA1 GLU 56 HA 0.01 0.18 0.84 -0.75 4.29 4.57 1fvhA1 GLU 56 HB2 0.01 -0.04 -0.11 -0.04 2.09 1.91 1fvhA1 GLU 56 HB3 0.05 0.06 -0.02 -0.04 1.99 2.04 1fvhA1 GLU 56 HG2 -0.01 -0.08 -0.32 -0.04 2.34 1.89 1fvhA1 GLU 56 HG3 0.06 0.05 -0.15 -0.04 2.34 2.26 1fvhA1 ASP 57 H 0.04 0.32 0.07 -0.55 8.40 8.28 1fvhA1 ASP 57 HA 0.04 0.18 0.80 -0.75 4.63 4.90 1fvhA1 ASP 57 HB2 0.03 0.06 0.01 -0.04 2.71 2.77 1fvhA1 ASP 57 HB3 0.04 0.11 0.09 -0.04 2.70 2.90 1fvhA1 ILE 58 H 0.08 0.83 0.21 -0.55 8.25 8.83 1fvhA1 ILE 58 HA 0.16 0.11 0.19 -0.75 4.18 3.88 1fvhA1 ILE 58 HB 0.18 0.05 -0.17 -0.04 1.89 1.91 1fvhA1 ILE 58 HG12 0.17 -0.10 -0.08 -0.04 1.49 1.43 1fvhA1 ILE 58 HG13 0.13 -0.03 -0.26 -0.04 1.21 1.02 1fvhA1 ILE 58 HG23 0.10 0.00 -0.01 -0.04 0.93 0.98 1fvhA1 ILE 58 HD13 0.29 0.03 -0.11 -0.04 0.88 1.06 1fvhA1 ASN 59 H 0.07 -0.08 -0.41 -0.55 8.53 7.56 1fvhA1 ASN 59 HA 0.06 0.07 0.39 -0.75 4.76 4.53 1fvhA1 ASN 59 HB2 0.05 -0.12 0.16 -0.04 2.88 2.93 1fvhA1 ASN 59 HB3 0.04 0.05 0.07 -0.04 2.79 2.92 1fvhA1 ASN 59 HD21 0.05 -0.19 0.12 -0.04 7.03 6.97 1fvhA1 ASN 59 HD22 0.05 0.09 0.08 -0.04 7.74 7.91 1fvhA1 ARG 60 H 0.04 -0.03 0.02 -0.55 8.46 7.94 1fvhA1 ARG 60 HA 0.03 -0.04 0.34 -0.75 4.34 3.92 1fvhA1 ARG 60 HB2 0.03 0.12 0.11 -0.04 1.90 2.12 1fvhA1 ARG 60 HB3 0.02 -0.01 0.11 -0.04 1.80 1.89 1fvhA1 ARG 60 HG2 0.03 -0.11 0.13 -0.04 1.67 1.67 1fvhA1 ARG 60 HG3 0.03 -0.03 0.06 -0.04 1.67 1.70 1fvhA1 ARG 60 HD2 0.02 -0.05 0.03 -0.04 3.22 3.18 1fvhA1 ARG 60 HD3 0.02 0.06 0.04 -0.04 3.22 3.29 1fvhA1 ARG 61 H 0.03 -0.04 0.26 -0.55 8.46 8.15 1fvhA1 ARG 61 HA 0.04 0.09 0.34 -0.75 4.34 4.06 1fvhA1 ARG 61 HB2 0.01 -0.11 0.11 -0.04 1.90 1.88 1fvhA1 ARG 61 HB3 0.00 0.08 0.03 -0.04 1.80 1.87 1fvhA1 ARG 61 HG2 0.03 -0.02 0.14 -0.04 1.67 1.79 1fvhA1 ARG 61 HG3 0.01 -0.04 0.06 -0.04 1.67 1.66 1fvhA1 ARG 61 HD2 0.05 0.05 0.10 -0.04 3.22 3.38 1fvhA1 ARG 61 HD3 0.04 -0.04 0.08 -0.04 3.22 3.26 1fvhA1 ARG 62 H 0.03 0.16 0.15 -0.55 8.46 8.25 1fvhA1 ARG 62 HA 0.02 0.16 0.87 -0.75 4.34 4.63 1fvhA1 ARG 62 HB2 0.06 0.08 0.03 -0.04 1.90 2.03 1fvhA1 ARG 62 HB3 0.04 -0.02 0.08 -0.04 1.80 1.86 1fvhA1 ARG 62 HG2 0.08 -0.13 -0.07 -0.04 1.67 1.51 1fvhA1 ARG 62 HG3 0.06 0.24 -0.20 -0.04 1.67 1.73 1fvhA1 ARG 62 HD2 0.07 -0.01 0.00 -0.04 3.22 3.24 1fvhA1 ARG 62 HD3 0.23 0.01 -0.13 -0.04 3.22 3.29 1fvhA1 GLU 63 H 0.02 0.06 0.11 -0.55 8.60 8.25 1fvhA1 GLU 63 HA -0.02 0.11 0.43 -0.75 4.29 4.05 1fvhA1 GLU 63 HB2 0.00 0.10 -0.05 -0.04 2.09 2.10 1fvhA1 GLU 63 HB3 0.00 -0.03 0.09 -0.04 1.99 2.02 1fvhA1 GLU 63 HG2 0.05 -0.01 0.07 -0.04 2.34 2.40 1fvhA1 GLU 63 HG3 0.03 0.02 -0.02 -0.04 2.34 2.33 1fvhA1 PRO 64 HA -0.32 0.13 0.69 -0.51 4.44 4.43 1fvhA1 PRO 64 HB2 -0.12 -0.05 0.16 -0.04 2.28 2.23 1fvhA1 PRO 64 HB3 -0.23 0.13 0.12 -0.04 2.02 2.00 1fvhA1 PRO 64 HG2 -0.10 -0.01 0.10 -0.04 2.03 1.98 1fvhA1 PRO 64 HG3 -0.16 0.09 0.09 -0.04 2.03 2.01 1fvhA1 PRO 64 HD2 -0.06 0.04 0.24 -0.04 3.68 3.85 1fvhA1 PRO 64 HD3 -0.06 0.13 0.27 -0.04 3.65 3.95 1fvhA1 LEU 65 H -0.14 0.37 0.24 -0.55 8.37 8.30 1fvhA1 LEU 65 HA 0.02 0.12 0.83 -0.75 4.35 4.57 1fvhA1 LEU 65 HB2 0.28 0.02 0.24 -0.04 1.64 2.13 1fvhA1 LEU 65 HB3 0.12 -0.11 0.09 -0.04 1.64 1.70 1fvhA1 LEU 65 HG 0.12 0.18 -0.24 -0.04 1.64 1.65 1fvhA1 LEU 65 HD13 0.14 -0.02 -0.07 -0.04 0.93 0.93 1fvhA1 LEU 65 HD23 0.06 0.01 -0.13 -0.04 0.89 0.79 1fvhA1 PRO 66 HA -0.06 0.07 0.02 -0.51 4.44 3.97 1fvhA1 PRO 66 HB2 -0.03 -0.06 -0.11 -0.04 2.28 2.03 1fvhA1 PRO 66 HB3 -0.08 0.10 -0.08 -0.04 2.02 1.92 1fvhA1 PRO 66 HG2 -0.06 -0.03 -0.07 -0.04 2.03 1.83 1fvhA1 PRO 66 HG3 -0.12 0.23 -0.20 -0.04 2.03 1.91 1fvhA1 PRO 66 HD2 -0.02 -0.01 0.08 -0.04 3.68 3.70 1fvhA1 PRO 66 HD3 -0.05 0.48 -0.34 -0.04 3.65 3.70 1fvhA1 LEU 67 H 0.03 0.03 -0.53 -0.55 8.37 7.36 1fvhA1 LEU 67 HA 0.01 0.19 0.73 -0.75 4.35 4.53 1fvhA1 LEU 67 HB2 0.03 -0.02 -0.03 -0.04 1.64 1.58 1fvhA1 LEU 67 HB3 0.00 -0.01 0.03 -0.04 1.64 1.62 1fvhA1 LEU 67 HG 0.00 -0.01 -0.10 -0.04 1.64 1.49 1fvhA1 LEU 67 HD13 -0.00 -0.01 -0.03 -0.04 0.93 0.85 1fvhA1 LEU 67 HD23 -0.00 0.02 -0.07 -0.04 0.89 0.80 1fvhA1 LEU 68 H 0.09 0.29 -0.08 -0.55 8.37 8.12 1fvhA1 LEU 68 HA 0.07 0.24 0.92 -0.75 4.35 4.82 1fvhA1 LEU 68 HB2 0.10 0.01 -0.03 -0.04 1.64 1.68 1fvhA1 LEU 68 HB3 0.11 0.13 -0.07 -0.04 1.64 1.77 1fvhA1 LEU 68 HG 0.11 -0.14 -0.11 -0.04 1.64 1.45 1fvhA1 LEU 68 HD13 0.16 -0.00 -0.15 -0.04 0.93 0.90 1fvhA1 LEU 68 HD23 0.12 0.05 -0.25 -0.04 0.89 0.77 1fvhA1 GLU 69 H 0.09 0.27 0.17 -0.55 8.60 8.58 1fvhA1 GLU 69 HA 0.11 -0.06 0.58 -0.75 4.29 4.16 1fvhA1 GLU 69 HB2 0.19 0.03 -0.04 -0.04 2.09 2.22 1fvhA1 GLU 69 HB3 0.17 -0.01 -0.11 -0.04 1.99 2.00 1fvhA1 GLU 69 HG2 0.10 0.01 -0.17 -0.04 2.34 2.24 1fvhA1 GLU 69 HG3 0.11 0.04 -0.01 -0.04 2.34 2.44 1fvhA1 ALA 70 H 0.10 0.37 0.06 -0.55 8.40 8.38 1fvhA1 ALA 70 HA -0.27 0.16 1.07 -0.75 4.34 4.54 1fvhA1 ALA 70 HB3 -0.62 0.02 0.00 -0.04 1.41 0.76 1fvhA1 VAL 71 H -0.21 0.90 0.42 -0.55 8.24 8.80 1fvhA1 VAL 71 HA 0.19 0.22 1.02 -0.75 4.13 4.80 1fvhA1 VAL 71 HB -0.04 -0.06 0.10 -0.04 2.12 2.08 1fvhA1 VAL 71 HG13 0.15 -0.01 -0.24 -0.04 0.97 0.84 1fvhA1 VAL 71 HG23 0.05 0.01 -0.19 -0.04 0.95 0.79 1fvhA1 TYR 72 H 0.28 1.06 0.41 -0.55 8.29 9.49 1fvhA1 TYR 72 HA 0.05 0.27 1.10 -0.75 4.56 5.23 1fvhA1 TYR 72 HB2 -0.05 -0.04 0.23 -0.04 3.06 3.16 1fvhA1 TYR 72 HB3 0.01 -0.10 -0.03 -0.04 2.98 2.83 1fvhA1 TYR 72 HD2 0.04 0.01 -0.16 -0.04 7.15 7.00 1fvhA1 TYR 72 HE2 0.23 0.05 -0.10 -0.04 6.85 6.98 1fvhA1 LEU 73 H 0.10 0.54 0.11 -0.55 8.37 8.58 1fvhA1 LEU 73 HA 0.15 0.39 0.95 -0.75 4.35 5.09 1fvhA1 LEU 73 HB2 0.02 0.05 -0.11 -0.04 1.64 1.56 1fvhA1 LEU 73 HB3 0.03 -0.09 0.13 -0.04 1.64 1.66 1fvhA1 LEU 73 HG 0.03 -0.14 -0.07 -0.04 1.64 1.41 1fvhA1 LEU 73 HD13 0.02 0.07 -0.06 -0.04 0.93 0.91 1fvhA1 LEU 73 HD23 -0.05 0.01 -0.10 -0.04 0.89 0.71 1fvhA1 ILE 74 H 0.15 0.43 0.00 -0.55 8.25 8.28 1fvhA1 ILE 74 HA 0.12 0.05 1.09 -0.75 4.18 4.68 1fvhA1 ILE 74 HB 0.15 -0.15 0.05 -0.04 1.89 1.90 1fvhA1 ILE 74 HG12 0.27 -0.02 -0.73 -0.04 1.49 0.97 1fvhA1 ILE 74 HG13 0.20 0.00 -0.26 -0.04 1.21 1.12 1fvhA1 ILE 74 HG23 0.22 0.01 -0.30 -0.04 0.93 0.83 1fvhA1 ILE 74 HD13 0.17 0.04 -0.18 -0.04 0.88 0.87 1fvhA1 THR 75 H 0.11 0.04 0.18 -0.55 8.28 8.07 1fvhA1 THR 75 HA 0.12 0.15 0.70 -0.75 4.39 4.60 1fvhA1 THR 75 HB 0.07 -0.12 0.16 -0.04 4.32 4.40 1fvhA1 THR 75 HG23 0.05 0.03 -0.16 -0.04 1.22 1.10 1fvhA1 PRO 76 HA 0.02 0.03 0.38 -0.51 4.44 4.37 1fvhA1 PRO 76 HB2 -0.35 -0.01 0.18 -0.04 2.28 2.06 1fvhA1 PRO 76 HB3 -0.75 0.04 0.08 -0.04 2.02 1.35 1fvhA1 PRO 76 HG2 -0.06 0.02 0.01 -0.04 2.03 1.96 1fvhA1 PRO 76 HG3 -0.11 0.50 -0.24 -0.04 2.03 2.14 1fvhA1 PRO 76 HD2 0.07 0.02 0.17 -0.04 3.68 3.90 1fvhA1 PRO 76 HD3 0.18 0.08 0.27 -0.04 3.65 4.14 1fvhA1 THR 77 H 0.05 0.24 0.34 -0.55 8.28 8.36 1fvhA1 THR 77 HA 0.00 0.31 0.95 -0.75 4.39 4.89 1fvhA1 THR 77 HB 0.03 -0.08 0.15 -0.04 4.32 4.37 1fvhA1 THR 77 HG23 0.03 0.04 -0.22 -0.04 1.22 1.03 1fvhA1 GLU 78 H 0.02 0.18 0.13 -0.55 8.60 8.38 1fvhA1 GLU 78 HA 0.02 0.12 0.38 -0.75 4.29 4.05 1fvhA1 GLU 78 HB2 0.01 0.02 0.17 -0.04 2.09 2.26 1fvhA1 GLU 78 HB3 0.02 -0.06 0.13 -0.04 1.99 2.04 1fvhA1 GLU 78 HG2 0.02 0.03 0.00 -0.04 2.34 2.35 1fvhA1 GLU 78 HG3 0.02 0.04 -0.03 -0.04 2.34 2.33 1fvhA1 GLU 79 H 0.03 0.06 -0.06 -0.55 8.60 8.08 1fvhA1 GLU 79 HA 0.04 0.14 0.30 -0.75 4.29 4.02 1fvhA1 GLU 79 HB2 0.05 -0.19 0.16 -0.04 2.09 2.07 1fvhA1 GLU 79 HB3 0.05 0.08 0.02 -0.04 1.99 2.10 1fvhA1 GLU 79 HG2 0.03 0.09 0.05 -0.04 2.34 2.47 1fvhA1 GLU 79 HG3 0.03 -0.03 0.09 -0.04 2.34 2.39 1fvhA1 SER 80 H 0.06 0.05 -0.03 -0.55 8.46 8.00 1fvhA1 SER 80 HA 0.09 0.06 0.30 -0.75 4.49 4.19 1fvhA1 SER 80 HB2 0.10 -0.04 0.15 -0.04 3.95 4.12 1fvhA1 SER 80 HB3 0.14 0.05 -0.04 -0.04 3.93 4.04 1fvhA1 VAL 81 H 0.07 0.43 -0.22 -0.55 8.24 7.97 1fvhA1 VAL 81 HA 0.10 -0.00 0.31 -0.75 4.13 3.78 1fvhA1 VAL 81 HB 0.04 0.11 0.00 -0.04 2.12 2.24 1fvhA1 VAL 81 HG13 0.07 -0.01 -0.07 -0.04 0.97 0.93 1fvhA1 VAL 81 HG23 0.07 0.00 -0.05 -0.04 0.95 0.93 1fvhA1 LYS 82 H 0.05 0.63 -0.21 -0.55 8.42 8.34 1fvhA1 LYS 82 HA 0.04 0.00 0.51 -0.75 4.32 4.12 1fvhA1 LYS 82 HB2 0.03 -0.07 0.12 -0.04 1.87 1.91 1fvhA1 LYS 82 HB3 0.04 0.27 0.36 -0.04 1.79 2.42 1fvhA1 LYS 82 HG2 0.04 -0.00 -0.26 -0.04 1.46 1.19 1fvhA1 LYS 82 HG3 0.03 -0.02 -0.07 -0.04 1.46 1.36 1fvhA1 LYS 82 HD2 0.03 0.00 -0.05 -0.04 1.69 1.63 1fvhA1 LYS 82 HD3 0.03 -0.02 -0.03 -0.04 1.68 1.61 1fvhA1 LYS 82 HE2 0.03 -0.04 -0.05 -0.04 2.99 2.88 1fvhA1 LYS 82 HE3 0.03 0.01 -0.08 -0.04 2.99 2.91 1fvhA1 CYS 83 H 0.06 0.36 -0.02 -0.55 8.50 8.35 1fvhA1 CYS 83 HA 0.07 0.04 0.40 -0.75 4.58 4.34 1fvhA1 CYS 83 HB2 0.11 -0.01 0.03 -0.04 2.97 3.06 1fvhA1 CYS 83 HB3 0.11 0.17 0.07 -0.04 2.97 3.27 1fvhA1 LEU 84 H 0.06 0.53 -0.25 -0.55 8.37 8.17 1fvhA1 LEU 84 HA 0.02 0.03 0.32 -0.75 4.35 3.97 1fvhA1 LEU 84 HB2 -0.06 0.01 0.03 -0.04 1.64 1.58 1fvhA1 LEU 84 HB3 -0.03 0.08 0.12 -0.04 1.64 1.77 1fvhA1 LEU 84 HG -0.85 -0.03 -0.09 -0.04 1.64 0.63 1fvhA1 LEU 84 HD13 -0.16 -0.02 -0.10 -0.04 0.93 0.62 1fvhA1 LEU 84 HD23 -0.26 0.00 -0.29 -0.04 0.89 0.30 1fvhA1 MET 85 H 0.04 0.50 -0.04 -0.55 8.47 8.42 1fvhA1 MET 85 HA 0.09 -0.02 0.26 -0.75 4.52 4.10 1fvhA1 MET 85 HB2 0.05 0.11 0.06 -0.04 2.15 2.32 1fvhA1 MET 85 HB3 0.05 -0.08 0.05 -0.04 2.03 2.01 1fvhA1 MET 85 HG2 0.00 -0.06 0.05 -0.04 2.63 2.58 1fvhA1 MET 85 HG3 0.02 0.20 0.15 -0.04 2.56 2.89 1fvhA1 MET 85 HE3 0.03 0.01 -0.08 -0.04 2.10 2.02 1fvhA1 ALA 86 H 0.09 0.26 -0.83 -0.55 8.40 7.37 1fvhA1 ALA 86 HA 0.06 -0.01 0.47 -0.75 4.34 4.11 1fvhA1 ALA 86 HB3 0.05 0.06 0.14 -0.04 1.41 1.63 1fvhA1 ASP 87 H 0.13 0.70 0.13 -0.55 8.40 8.81 1fvhA1 ASP 87 HA -0.12 0.01 0.40 -0.75 4.63 4.16 1fvhA1 ASP 87 HB2 0.31 0.13 0.11 -0.04 2.71 3.22 1fvhA1 ASP 87 HB3 -0.32 -0.11 0.06 -0.04 2.70 2.29 1fvhA1 PHE 88 H 0.33 0.27 -0.79 -0.55 8.34 7.59 1fvhA1 PHE 88 HA 0.02 0.12 0.78 -0.75 4.62 4.78 1fvhA1 PHE 88 HB2 0.14 -0.04 -0.11 -0.04 3.15 3.11 1fvhA1 PHE 88 HB3 0.39 0.02 0.03 -0.04 3.06 3.45 1fvhA1 PHE 88 HD2 -0.31 0.16 -0.12 -0.04 7.28 6.97 1fvhA1 PHE 88 HE2 0.06 0.01 -0.23 -0.04 7.38 7.19 1fvhA1 PHE 88 HZ 0.34 0.10 -0.12 -0.04 7.32 7.60 1fvhA1 GLN 89 H 0.08 0.73 -0.19 -0.55 8.47 8.55 1fvhA1 GLN 89 HA 0.09 -0.04 0.40 -0.75 4.36 4.06 1fvhA1 GLN 89 HB2 0.05 -0.07 0.32 -0.04 2.15 2.41 1fvhA1 GLN 89 HB3 0.03 0.06 0.13 -0.04 2.02 2.20 1fvhA1 GLN 89 HG2 0.03 -0.00 -0.14 -0.04 2.40 2.24 1fvhA1 GLN 89 HG3 0.04 -0.08 0.11 -0.04 2.39 2.42 1fvhA1 GLN 89 HE21 0.02 -0.06 0.00 -0.04 6.97 6.89 1fvhA1 GLN 89 HE22 0.02 -0.03 0.02 -0.04 7.69 7.66 1fvhA1 ASN 90 H 0.09 0.13 -0.75 -0.55 8.53 7.44 1fvhA1 ASN 90 HA 0.08 0.08 0.50 -0.75 4.76 4.67 1fvhA1 ASN 90 HB2 0.04 0.02 -0.00 -0.04 2.88 2.89 1fvhA1 ASN 90 HB3 0.03 0.09 0.03 -0.04 2.79 2.90 1fvhA1 ASN 90 HD21 -0.00 -0.04 -0.07 -0.04 7.03 6.88 1fvhA1 ASN 90 HD22 0.01 0.07 -0.10 -0.04 7.74 7.67 1fvhA1 PRO 91 HA 0.28 0.05 0.41 -0.51 4.44 4.68 1fvhA1 PRO 91 HB2 0.08 -0.00 0.02 -0.04 2.28 2.33 1fvhA1 PRO 91 HB3 0.16 0.01 0.14 -0.04 2.02 2.29 1fvhA1 PRO 91 HG2 0.02 0.01 0.10 -0.04 2.03 2.12 1fvhA1 PRO 91 HG3 0.11 0.13 0.11 -0.04 2.03 2.33 1fvhA1 PRO 91 HD2 0.06 0.07 0.19 -0.04 3.68 3.95 1fvhA1 PRO 91 HD3 0.11 0.24 0.16 -0.04 3.65 4.11 1fvhA1 ASP 92 H 0.13 0.17 0.18 -0.55 8.40 8.33 1fvhA1 ASP 92 HA 0.04 0.00 0.37 -0.75 4.63 4.28 1fvhA1 ASP 92 HB2 0.04 -0.09 -0.13 -0.04 2.71 2.48 1fvhA1 ASP 92 HB3 0.02 0.25 0.13 -0.04 2.70 3.06 1fvhA1 ASN 93 H 0.02 -0.02 -0.77 -0.55 8.53 7.21 1fvhA1 ASN 93 HA -0.06 0.09 0.57 -0.75 4.76 4.61 1fvhA1 ASN 93 HB2 -0.02 -0.05 -0.13 -0.04 2.88 2.64 1fvhA1 ASN 93 HB3 -0.02 0.39 -0.01 -0.04 2.79 3.11 1fvhA1 ASN 93 HD21 -0.07 -0.07 0.01 -0.04 7.03 6.85 1fvhA1 ASN 93 HD22 -0.04 0.04 -0.04 -0.04 7.74 7.66 1fvhA1 PRO 94 HA -0.44 0.01 0.45 -0.51 4.44 3.96 1fvhA1 PRO 94 HB2 -0.28 0.02 0.02 -0.04 2.28 2.00 1fvhA1 PRO 94 HB3 -0.71 0.16 0.12 -0.04 2.02 1.54 1fvhA1 PRO 94 HG2 -0.08 0.05 0.09 -0.04 2.03 2.05 1fvhA1 PRO 94 HG3 -0.07 0.00 0.09 -0.04 2.03 2.02 1fvhA1 PRO 94 HD2 -0.06 0.16 -0.08 -0.04 3.68 3.66 1fvhA1 PRO 94 HD3 0.02 -0.35 0.17 -0.04 3.65 3.45 1fvhA1 GLN 95 H -0.69 0.61 0.41 -0.55 8.47 8.26 1fvhA1 GLN 95 HA -0.46 -0.01 0.43 -0.75 4.36 3.57 1fvhA1 GLN 95 HB2 -0.47 0.09 0.31 -0.04 2.15 2.05 1fvhA1 GLN 95 HB3 -0.87 -0.10 0.13 -0.04 2.02 1.14 1fvhA1 GLN 95 HG2 -0.68 -0.08 -0.04 -0.04 2.40 1.56 1fvhA1 GLN 95 HG3 -1.72 -0.06 -0.12 -0.04 2.39 0.44 1fvhA1 GLN 95 HE21 -0.13 0.41 -0.07 -0.04 6.97 7.14 1fvhA1 GLN 95 HE22 -0.19 -0.10 -0.19 -0.04 7.69 7.17 1fvhA1 TYR 96 H -0.72 0.12 -0.31 -0.55 8.29 6.83 1fvhA1 TYR 96 HA -0.11 0.37 0.53 -0.75 4.56 4.60 1fvhA1 TYR 96 HB2 0.06 0.01 -0.02 -0.04 3.06 3.07 1fvhA1 TYR 96 HB3 0.03 0.07 0.13 -0.04 2.98 3.16 1fvhA1 TYR 96 HD2 0.06 0.11 -0.02 -0.04 7.15 7.26 1fvhA1 TYR 96 HE2 0.02 -0.02 -0.07 -0.04 6.85 6.75 1fvhA1 ARG 97 H 0.12 0.71 0.09 -0.55 8.46 8.83 1fvhA1 ARG 97 HA -0.05 0.11 0.50 -0.75 4.34 4.15 1fvhA1 ARG 97 HB2 0.03 0.29 -0.04 -0.04 1.90 2.13 1fvhA1 ARG 97 HB3 0.06 -0.06 -0.59 -0.04 1.80 1.17 1fvhA1 ARG 97 HG2 0.07 -0.10 -0.46 -0.04 1.67 1.13 1fvhA1 ARG 97 HG3 0.06 -0.02 -0.17 -0.04 1.67 1.49 1fvhA1 ARG 97 HD2 0.03 -0.02 -0.05 -0.04 3.22 3.15 1fvhA1 ARG 97 HD3 0.04 0.19 -0.24 -0.04 3.22 3.17 1fvhA1 GLY 98 H 0.18 0.13 -0.06 -0.55 8.43 8.14 1fvhA1 GLY 98 HA2 0.15 0.20 0.51 -0.51 4.01 4.36 1fvhA1 GLY 98 HA3 0.05 0.03 0.32 -0.51 4.01 3.90 1fvhA1 ALA 99 H -0.13 0.44 0.22 -0.55 8.40 8.38 1fvhA1 ALA 99 HA 0.14 0.20 0.82 -0.75 4.34 4.74 1fvhA1 ALA 99 HB3 -0.18 0.01 -0.21 -0.04 1.41 0.99 1fvhA1 HIS 100 H 0.18 0.73 0.32 -0.55 8.41 9.09 1fvhA1 HIS 100 HA -0.12 0.08 0.88 -0.75 4.63 4.71 1fvhA1 HIS 100 HB2 0.15 -0.04 0.23 -0.04 3.26 3.56 1fvhA1 HIS 100 HB3 0.16 0.05 0.02 -0.04 3.20 3.39 1fvhA1 HIS 100 HD2 0.06 -0.02 -0.26 -0.04 6.97 6.70 1fvhA1 HIS 100 HE1 0.04 0.08 -0.07 -0.04 7.75 7.76 1fvhA1 ILE 101 H -0.31 0.84 0.22 -0.55 8.25 8.44 1fvhA1 ILE 101 HA -0.06 0.08 1.08 -0.75 4.18 4.53 1fvhA1 ILE 101 HB -0.37 0.07 0.22 -0.04 1.89 1.77 1fvhA1 ILE 101 HG12 -0.33 -0.04 -0.12 -0.04 1.49 0.96 1fvhA1 ILE 101 HG13 -0.15 -0.06 -0.32 -0.04 1.21 0.64 1fvhA1 ILE 101 HG23 -0.80 -0.03 -0.18 -0.04 0.93 -0.12 1fvhA1 ILE 101 HD13 -0.26 0.01 -0.09 -0.04 0.88 0.50 1fvhA1 PHE 102 H 0.02 0.77 0.33 -0.55 8.34 8.91 1fvhA1 PHE 102 HA -0.11 0.27 0.98 -0.75 4.62 5.01 1fvhA1 PHE 102 HB2 -0.01 -0.00 0.16 -0.04 3.15 3.25 1fvhA1 PHE 102 HB3 -0.01 -0.02 -0.10 -0.04 3.06 2.89 1fvhA1 PHE 102 HD2 0.00 -0.00 -0.20 -0.04 7.28 7.04 1fvhA1 PHE 102 HE2 0.01 0.04 -0.12 -0.04 7.38 7.27 1fvhA1 PHE 102 HZ -0.01 0.06 -0.15 -0.04 7.32 7.17 1fvhA1 PHE 103 H 0.01 0.80 0.35 -0.55 8.34 8.94 1fvhA1 PHE 103 HA 0.08 0.15 0.73 -0.75 4.62 4.83 1fvhA1 PHE 103 HB2 0.02 -0.01 0.20 -0.04 3.15 3.32 1fvhA1 PHE 103 HB3 0.03 0.11 0.10 -0.04 3.06 3.26 1fvhA1 PHE 103 HD2 0.01 0.01 -0.12 -0.04 7.28 7.15 1fvhA1 PHE 103 HE2 0.07 -0.01 -0.13 -0.04 7.38 7.28 1fvhA1 PHE 103 HZ 0.05 0.03 -0.11 -0.04 7.32 7.25 1fvhA1 THR 104 H 0.21 0.61 0.36 -0.55 8.28 8.91 1fvhA1 THR 104 HA 0.09 0.09 0.30 -0.75 4.39 4.12 1fvhA1 THR 104 HB 0.10 -0.06 0.02 -0.04 4.32 4.34 1fvhA1 THR 104 HG23 0.04 0.04 -0.25 -0.04 1.22 1.00 1fvhA1 GLU 105 H 0.12 0.23 -0.18 -0.55 8.60 8.23 1fvhA1 GLU 105 HA 0.09 0.09 0.59 -0.75 4.29 4.30 1fvhA1 GLU 105 HB2 0.06 0.03 0.06 -0.04 2.09 2.19 1fvhA1 GLU 105 HB3 0.06 0.03 -0.23 -0.04 1.99 1.81 1fvhA1 GLU 105 HG2 0.05 -0.16 -0.08 -0.04 2.34 2.11 1fvhA1 GLU 105 HG3 0.02 0.19 -0.21 -0.04 2.34 2.29 1fvhA1 ALA 106 H 0.04 0.15 0.07 -0.55 8.40 8.11 1fvhA1 ALA 106 HA -0.06 0.01 0.36 -0.75 4.34 3.89 1fvhA1 ALA 106 HB3 -0.05 0.03 0.04 -0.04 1.41 1.40 1fvhA1 CYS 107 H -0.23 0.11 0.16 -0.55 8.50 7.99 1fvhA1 CYS 107 HA -0.33 0.17 0.64 -0.75 4.58 4.30 1fvhA1 CYS 107 HB2 -1.22 0.01 0.07 -0.04 2.97 1.80 1fvhA1 CYS 107 HB3 -0.50 0.00 0.08 -0.04 2.97 2.52 1fvhA1 PRO 108 HA -0.06 0.09 0.51 -0.51 4.44 4.47 1fvhA1 PRO 108 HB2 -0.04 -0.17 0.15 -0.04 2.28 2.19 1fvhA1 PRO 108 HB3 -0.03 0.05 0.11 -0.04 2.02 2.11 1fvhA1 PRO 108 HG2 -0.05 0.01 0.11 -0.04 2.03 2.07 1fvhA1 PRO 108 HG3 -0.05 0.11 0.08 -0.04 2.03 2.13 1fvhA1 PRO 108 HD2 -0.14 0.01 0.18 -0.04 3.68 3.69 1fvhA1 PRO 108 HD3 -0.14 0.34 0.33 -0.04 3.65 4.14 1fvhA1 GLU 109 H -0.02 0.23 0.19 -0.55 8.60 8.45 1fvhA1 GLU 109 HA 0.19 0.09 0.26 -0.75 4.29 4.07 1fvhA1 GLU 109 HB2 0.03 -0.00 0.03 -0.04 2.09 2.11 1fvhA1 GLU 109 HB3 0.11 0.06 0.09 -0.04 1.99 2.21 1fvhA1 GLU 109 HG2 -0.03 -0.02 0.11 -0.04 2.34 2.36 1fvhA1 GLU 109 HG3 -0.01 0.06 0.04 -0.04 2.34 2.39 1fvhA1 GLU 110 H 0.02 0.05 -0.45 -0.55 8.60 7.66 1fvhA1 GLU 110 HA 0.02 0.15 0.47 -0.75 4.29 4.18 1fvhA1 GLU 110 HB2 0.01 0.08 0.05 -0.04 2.09 2.19 1fvhA1 GLU 110 HB3 0.01 -0.01 0.07 -0.04 1.99 2.01 1fvhA1 GLU 110 HG2 0.01 0.09 -0.28 -0.04 2.34 2.11 1fvhA1 GLU 110 HG3 0.00 0.05 -0.04 -0.04 2.34 2.32 1fvhA1 LEU 111 H 0.01 0.13 -0.03 -0.55 8.37 7.94 1fvhA1 LEU 111 HA 0.01 0.06 0.34 -0.75 4.35 4.01 1fvhA1 LEU 111 HB2 -0.02 0.10 0.06 -0.04 1.64 1.74 1fvhA1 LEU 111 HB3 0.01 0.03 -0.10 -0.04 1.64 1.53 1fvhA1 LEU 111 HG -0.00 -0.06 -0.01 -0.04 1.64 1.53 1fvhA1 LEU 111 HD13 -0.01 0.01 -0.24 -0.04 0.93 0.65 1fvhA1 LEU 111 HD23 0.01 0.01 -0.04 -0.04 0.89 0.83 1fvhA1 PHE 112 H 0.13 0.55 -0.28 -0.55 8.34 8.19 1fvhA1 PHE 112 HA -0.03 0.02 0.26 -0.75 4.62 4.11 1fvhA1 PHE 112 HB2 -0.10 0.01 -0.26 -0.04 3.15 2.76 1fvhA1 PHE 112 HB3 -0.05 0.01 -0.03 -0.04 3.06 2.95 1fvhA1 PHE 112 HD2 0.02 -0.03 -0.07 -0.04 7.28 7.16 1fvhA1 PHE 112 HE2 0.04 0.02 -0.06 -0.04 7.38 7.35 1fvhA1 PHE 112 HZ 0.01 0.05 -0.04 -0.04 7.32 7.31 1fvhA1 LYS 113 H 0.04 0.38 -0.54 -0.55 8.42 7.75 1fvhA1 LYS 113 HA -0.21 0.04 0.42 -0.75 4.32 3.81 1fvhA1 LYS 113 HB2 0.00 0.14 0.20 -0.04 1.87 2.17 1fvhA1 LYS 113 HB3 -0.02 0.11 0.23 -0.04 1.79 2.07 1fvhA1 LYS 113 HG2 -0.02 -0.05 -0.01 -0.04 1.46 1.34 1fvhA1 LYS 113 HG3 -0.05 -0.01 -0.17 -0.04 1.46 1.19 1fvhA1 LYS 113 HD2 -0.04 0.01 0.02 -0.04 1.69 1.63 1fvhA1 LYS 113 HD3 -0.03 -0.02 -0.01 -0.04 1.68 1.57 1fvhA1 LYS 113 HE2 -0.08 0.01 -0.02 -0.04 2.99 2.86 1fvhA1 LYS 113 HE3 -0.07 0.00 -0.04 -0.04 2.99 2.84 1fvhA1 GLU 114 H -0.03 0.50 0.02 -0.55 8.60 8.54 1fvhA1 GLU 114 HA -0.04 0.03 0.33 -0.75 4.29 3.86 1fvhA1 GLU 114 HB2 -0.01 -0.02 0.08 -0.04 2.09 2.10 1fvhA1 GLU 114 HB3 -0.01 0.04 0.13 -0.04 1.99 2.11 1fvhA1 GLU 114 HG2 -0.01 0.02 -0.19 -0.04 2.34 2.11 1fvhA1 GLU 114 HG3 -0.01 0.01 0.01 -0.04 2.34 2.31 1fvhA1 LEU 115 H -0.06 0.57 -0.40 -0.55 8.37 7.93 1fvhA1 LEU 115 HA -0.04 -0.01 0.48 -0.75 4.35 4.03 1fvhA1 LEU 115 HB2 0.03 -0.04 0.03 -0.04 1.64 1.62 1fvhA1 LEU 115 HB3 -0.04 0.14 0.09 -0.04 1.64 1.79 1fvhA1 LEU 115 HG -0.05 0.06 -0.29 -0.04 1.64 1.32 1fvhA1 LEU 115 HD13 -0.04 -0.02 -0.03 -0.04 0.93 0.80 1fvhA1 LEU 115 HD23 0.21 -0.02 -0.09 -0.04 0.89 0.95 1fvhA1 CYS 116 H -0.27 0.53 -0.04 -0.55 8.50 8.17 1fvhA1 CYS 116 HA -0.18 0.04 0.44 -0.75 4.58 4.12 1fvhA1 CYS 116 HB2 -0.35 0.08 0.16 -0.04 2.97 2.82 1fvhA1 CYS 116 HB3 -0.22 -0.03 0.09 -0.04 2.97 2.76 1fvhA1 LYS 117 H -0.11 0.23 -0.66 -0.55 8.42 7.34 1fvhA1 LYS 117 HA -0.08 0.14 0.81 -0.75 4.32 4.44 1fvhA1 LYS 117 HB2 -0.06 0.04 0.00 -0.04 1.87 1.82 1fvhA1 LYS 117 HB3 -0.05 -0.07 0.12 -0.04 1.79 1.75 1fvhA1 LYS 117 HG2 -0.09 0.12 -0.11 -0.04 1.46 1.33 1fvhA1 LYS 117 HG3 -0.06 -0.09 -0.05 -0.04 1.46 1.21 1fvhA1 LYS 117 HD2 -0.05 -0.04 0.00 -0.04 1.69 1.55 1fvhA1 LYS 117 HD3 -0.08 0.18 -0.16 -0.04 1.68 1.59 1fvhA1 LYS 117 HE2 -0.08 -0.01 -0.08 -0.04 2.99 2.78 1fvhA1 LYS 117 HE3 -0.05 -0.06 -0.04 -0.04 2.99 2.80 1fvhA1 SER 118 H -0.07 0.26 -0.34 -0.55 8.46 7.77 1fvhA1 SER 118 HA -0.02 0.08 0.46 -0.75 4.49 4.26 1fvhA1 SER 118 HB2 -0.05 0.47 0.33 -0.04 3.95 4.67 1fvhA1 SER 118 HB3 -0.01 -0.39 0.13 -0.04 3.93 3.62 1fvhA1 THR 119 H 0.02 0.20 0.19 -0.55 8.28 8.13 1fvhA1 THR 119 HA -0.02 0.09 0.48 -0.75 4.39 4.18 1fvhA1 THR 119 HB 0.06 0.00 0.08 -0.04 4.32 4.42 1fvhA1 THR 119 HG23 0.02 0.02 0.12 -0.04 1.22 1.33 1fvhA1 THR 120 H 0.00 -0.10 -0.64 -0.55 8.28 7.00 1fvhA1 THR 120 HA 0.17 0.20 0.53 -0.75 4.39 4.53 1fvhA1 THR 120 HB -0.07 0.06 -0.08 -0.04 4.32 4.19 1fvhA1 THR 120 HG23 -0.38 -0.01 -0.11 -0.04 1.22 0.67 1fvhA1 ALA 121 H -0.09 0.43 -0.34 -0.55 8.40 7.85 1fvhA1 ALA 121 HA -0.12 0.02 0.32 -0.75 4.34 3.81 1fvhA1 ALA 121 HB3 -0.11 0.03 -0.00 -0.04 1.41 1.29 1fvhA1 ARG 122 H -0.27 0.00 -0.29 -0.55 8.46 7.35 1fvhA1 ARG 122 HA -0.17 0.10 0.39 -0.75 4.34 3.90 1fvhA1 ARG 122 HB2 -0.33 0.00 0.07 -0.04 1.90 1.60 1fvhA1 ARG 122 HB3 -0.24 -0.03 0.06 -0.04 1.80 1.54 1fvhA1 ARG 122 HG2 -1.52 0.04 -0.15 -0.04 1.67 0.01 1fvhA1 ARG 122 HG3 -0.57 -0.05 -0.01 -0.04 1.67 1.00 1fvhA1 ARG 122 HD2 -0.30 0.00 -0.21 -0.04 3.22 2.67 1fvhA1 ARG 122 HD3 -0.36 0.57 0.03 -0.04 3.22 3.42 1fvhA1 PHE 123 H -0.17 0.31 -0.48 -0.55 8.34 7.44 1fvhA1 PHE 123 HA -0.03 0.21 0.81 -0.75 4.62 4.86 1fvhA1 PHE 123 HB2 -0.29 0.08 -0.02 -0.04 3.15 2.87 1fvhA1 PHE 123 HB3 -0.02 -0.11 -0.08 -0.04 3.06 2.80 1fvhA1 PHE 123 HD2 0.16 0.04 -0.03 -0.04 7.28 7.41 1fvhA1 PHE 123 HE2 0.13 0.03 -0.02 -0.04 7.38 7.48 1fvhA1 PHE 123 HZ 0.08 -0.16 0.04 -0.04 7.32 7.24 1fvhA1 ILE 124 H -0.08 0.27 -0.06 -0.55 8.25 7.83 1fvhA1 ILE 124 HA -0.15 0.00 0.50 -0.75 4.18 3.78 1fvhA1 ILE 124 HB -0.10 0.15 0.15 -0.04 1.89 2.05 1fvhA1 ILE 124 HG12 -0.20 -0.07 -0.04 -0.04 1.49 1.15 1fvhA1 ILE 124 HG13 -0.17 0.15 -0.03 -0.04 1.21 1.12 1fvhA1 ILE 124 HG23 -0.10 0.00 -0.25 -0.04 0.93 0.54 1fvhA1 ILE 124 HD13 -0.11 -0.02 -0.10 -0.04 0.88 0.61 1fvhA1 LYS 125 H -0.21 0.74 0.55 -0.55 8.42 8.94 1fvhA1 LYS 125 HA -0.05 0.17 0.83 -0.75 4.32 4.51 1fvhA1 LYS 125 HB2 -0.59 -0.03 0.06 -0.04 1.87 1.27 1fvhA1 LYS 125 HB3 -0.03 -0.02 0.10 -0.04 1.79 1.80 1fvhA1 LYS 125 HG2 -0.10 0.15 0.06 -0.04 1.46 1.53 1fvhA1 LYS 125 HG3 -0.07 -0.07 0.02 -0.04 1.46 1.31 1fvhA1 LYS 125 HD2 0.01 -0.06 0.04 -0.04 1.69 1.64 1fvhA1 LYS 125 HD3 -0.02 0.13 -0.16 -0.04 1.68 1.59 1fvhA1 LYS 125 HE2 0.03 -0.01 -0.01 -0.04 2.99 2.95 1fvhA1 LYS 125 HE3 0.06 0.08 0.00 -0.04 2.99 3.09 1fvhA1 THR 126 H -0.15 0.29 0.31 -0.55 8.28 8.18 1fvhA1 THR 126 HA -0.04 0.17 0.66 -0.75 4.39 4.42 1fvhA1 THR 126 HB -0.05 -0.24 0.13 -0.04 4.32 4.12 1fvhA1 THR 126 HG23 -0.22 0.03 -0.12 -0.04 1.22 0.86 1fvhA1 LEU 127 H -0.11 0.26 0.04 -0.55 8.37 8.01 1fvhA1 LEU 127 HA -0.26 0.18 0.88 -0.75 4.35 4.39 1fvhA1 LEU 127 HB2 -0.06 0.02 -0.22 -0.04 1.64 1.34 1fvhA1 LEU 127 HB3 0.00 0.01 0.12 -0.04 1.64 1.73 1fvhA1 LEU 127 HG 0.16 -0.03 -0.15 -0.04 1.64 1.57 1fvhA1 LEU 127 HD13 -0.03 0.00 0.01 -0.04 0.93 0.87 1fvhA1 LEU 127 HD23 0.18 0.00 -0.05 -0.04 0.89 0.98 1fvhA1 LYS 128 H -0.32 0.68 0.33 -0.55 8.42 8.56 1fvhA1 LYS 128 HA 0.01 0.18 0.89 -0.75 4.32 4.65 1fvhA1 LYS 128 HB2 0.07 0.01 -0.05 -0.04 1.87 1.86 1fvhA1 LYS 128 HB3 0.13 0.06 -0.06 -0.04 1.79 1.88 1fvhA1 LYS 128 HG2 0.04 0.04 -0.01 -0.04 1.46 1.50 1fvhA1 LYS 128 HG3 -0.05 -0.14 -0.49 -0.04 1.46 0.75 1fvhA1 LYS 128 HD2 0.37 0.03 -0.09 -0.04 1.69 1.95 1fvhA1 LYS 128 HD3 0.18 0.04 -0.05 -0.04 1.68 1.82 1fvhA1 LYS 128 HE2 0.08 -0.01 -0.02 -0.04 2.99 3.00 1fvhA1 LYS 128 HE3 0.07 -0.06 -0.05 -0.04 2.99 2.91 1fvhA1 GLU 129 H 0.08 0.31 0.14 -0.55 8.60 8.58 1fvhA1 GLU 129 HA 0.20 0.13 0.86 -0.75 4.29 4.73 1fvhA1 GLU 129 HB2 0.04 0.06 0.12 -0.04 2.09 2.27 1fvhA1 GLU 129 HB3 0.07 -0.04 -0.12 -0.04 1.99 1.87 1fvhA1 GLU 129 HG2 0.13 0.05 -0.09 -0.04 2.34 2.38 1fvhA1 GLU 129 HG3 0.12 0.01 -0.16 -0.04 2.34 2.27 1fvhA1 ILE 130 H 0.16 0.55 0.02 -0.55 8.25 8.43 1fvhA1 ILE 130 HA 0.10 0.25 0.79 -0.75 4.18 4.56 1fvhA1 ILE 130 HB 0.04 0.04 -0.08 -0.04 1.89 1.85 1fvhA1 ILE 130 HG12 0.13 0.06 -0.34 -0.04 1.49 1.29 1fvhA1 ILE 130 HG13 0.06 0.00 -0.24 -0.04 1.21 0.99 1fvhA1 ILE 130 HG23 0.13 -0.00 -0.23 -0.04 0.93 0.78 1fvhA1 ILE 130 HD13 0.01 -0.02 -0.22 -0.04 0.88 0.62 1fvhA1 ASN 131 H 0.11 0.00 -0.28 -0.55 8.53 7.82 1fvhA1 ASN 131 HA 0.11 -0.11 0.42 -0.75 4.76 4.42 1fvhA1 ASN 131 HB2 0.16 0.27 0.02 -0.04 2.88 3.30 1fvhA1 ASN 131 HB3 0.20 -0.06 0.11 -0.04 2.79 2.99 1fvhA1 ASN 131 HD21 0.07 -0.03 -0.12 -0.04 7.03 6.92 1fvhA1 ASN 131 HD22 0.23 0.12 -0.15 -0.04 7.74 7.90 1fvhA1 ILE 132 H 0.04 0.86 0.12 -0.55 8.25 8.73 1fvhA1 ILE 132 HA 0.01 0.15 0.59 -0.75 4.18 4.17 1fvhA1 ILE 132 HB -0.06 -0.08 -0.02 -0.04 1.89 1.69 1fvhA1 ILE 132 HG12 0.02 0.07 0.05 -0.04 1.49 1.58 1fvhA1 ILE 132 HG13 0.02 0.21 -0.55 -0.04 1.21 0.85 1fvhA1 ILE 132 HG23 -0.42 -0.03 -0.01 -0.04 0.93 0.43 1fvhA1 ILE 132 HD13 -0.05 -0.02 -0.07 -0.04 0.88 0.70 1fvhA1 ALA 133 H 0.15 0.22 -0.10 -0.55 8.40 8.12 1fvhA1 ALA 133 HA 0.00 0.13 0.78 -0.75 4.34 4.50 1fvhA1 ALA 133 HB3 0.08 -0.01 0.08 -0.04 1.41 1.53 1fvhA1 PHE 134 H -0.37 0.42 -0.25 -0.55 8.34 7.58 1fvhA1 PHE 134 HA 0.11 0.08 0.53 -0.75 4.62 4.59 1fvhA1 PHE 134 HB2 0.16 -0.06 -0.16 -0.04 3.15 3.05 1fvhA1 PHE 134 HB3 -0.01 0.11 -0.33 -0.04 3.06 2.79 1fvhA1 PHE 134 HD2 0.00 -0.06 -0.53 -0.04 7.28 6.65 1fvhA1 PHE 134 HE2 -0.03 0.10 -0.27 -0.04 7.38 7.14 1fvhA1 PHE 134 HZ -0.04 0.11 -0.12 -0.04 7.32 7.22 1fvhA1 LEU 135 H 0.27 0.84 0.37 -0.55 8.37 9.30 1fvhA1 LEU 135 HA 0.02 0.27 0.85 -0.75 4.35 4.74 1fvhA1 LEU 135 HB2 0.15 -0.14 0.16 -0.04 1.64 1.77 1fvhA1 LEU 135 HB3 0.13 0.09 -0.06 -0.04 1.64 1.76 1fvhA1 LEU 135 HG 0.06 0.01 -0.06 -0.04 1.64 1.61 1fvhA1 LEU 135 HD13 0.02 -0.04 -0.30 -0.04 0.93 0.58 1fvhA1 LEU 135 HD23 0.08 0.03 -0.04 -0.04 0.89 0.92 1fvhA1 PRO 136 HA 0.38 0.12 0.59 -0.51 4.44 5.01 1fvhA1 PRO 136 HB2 0.17 0.01 0.12 -0.04 2.28 2.54 1fvhA1 PRO 136 HB3 0.25 0.03 -0.05 -0.04 2.02 2.20 1fvhA1 PRO 136 HG2 0.08 0.08 0.03 -0.04 2.03 2.18 1fvhA1 PRO 136 HG3 0.25 0.06 -0.11 -0.04 2.03 2.20 1fvhA1 PRO 136 HD2 0.07 0.11 0.17 -0.04 3.68 4.00 1fvhA1 PRO 136 HD3 -0.09 0.28 0.28 -0.04 3.65 4.08 1fvhA1 TYR 137 H 0.38 0.31 0.13 -0.55 8.29 8.55 1fvhA1 TYR 137 HA 0.13 0.01 0.32 -0.75 4.56 4.27 1fvhA1 TYR 137 HB2 0.13 -0.07 0.00 -0.04 3.06 3.08 1fvhA1 TYR 137 HB3 0.12 0.03 -0.04 -0.04 2.98 3.05 1fvhA1 TYR 137 HD2 0.09 0.02 -0.04 -0.04 7.15 7.18 1fvhA1 TYR 137 HE2 0.13 0.01 -0.04 -0.04 6.85 6.91 1fvhA1 GLU 138 H 0.23 0.60 0.06 -0.55 8.60 8.96 1fvhA1 GLU 138 HA 0.10 0.17 0.61 -0.75 4.29 4.41 1fvhA1 GLU 138 HB2 0.20 -0.09 0.04 -0.04 2.09 2.19 1fvhA1 GLU 138 HB3 0.25 -0.04 0.15 -0.04 1.99 2.31 1fvhA1 GLU 138 HG2 -0.04 0.06 0.08 -0.04 2.34 2.39 1fvhA1 GLU 138 HG3 -0.28 0.01 -0.56 -0.04 2.34 1.47 1fvhA1 SER 139 H 0.17 0.19 0.15 -0.55 8.46 8.43 1fvhA1 SER 139 HA 0.14 0.01 0.52 -0.75 4.49 4.41 1fvhA1 SER 139 HB2 0.12 0.16 0.21 -0.04 3.95 4.40 1fvhA1 SER 139 HB3 0.11 0.03 0.15 -0.04 3.93 4.18 1fvhA1 GLN 140 H 0.18 -0.23 -0.54 -0.55 8.47 7.33 1fvhA1 GLN 140 HA 0.01 0.27 0.85 -0.75 4.36 4.74 1fvhA1 GLN 140 HB2 -0.29 -0.13 -0.08 -0.04 2.15 1.61 1fvhA1 GLN 140 HB3 -0.61 -0.04 -0.07 -0.04 2.02 1.27 1fvhA1 GLN 140 HG2 -0.49 -0.07 -0.11 -0.04 2.40 1.68 1fvhA1 GLN 140 HG3 -0.23 0.42 0.11 -0.04 2.39 2.66 1fvhA1 GLN 140 HE21 0.13 0.07 -0.07 -0.04 6.97 7.06 1fvhA1 GLN 140 HE22 0.28 -0.09 -0.09 -0.04 7.69 7.75 1fvhA1 ILE 141 H 0.14 -0.13 -0.10 -0.55 8.25 7.61 1fvhA1 ILE 141 HA 0.01 0.44 1.20 -0.75 4.18 5.08 1fvhA1 ILE 141 HB 0.15 -0.14 0.05 -0.04 1.89 1.91 1fvhA1 ILE 141 HG12 -0.01 -0.11 -0.03 -0.04 1.49 1.30 1fvhA1 ILE 141 HG13 -0.10 0.27 0.08 -0.04 1.21 1.41 1fvhA1 ILE 141 HG23 0.13 0.00 -0.18 -0.04 0.93 0.84 1fvhA1 ILE 141 HD13 -0.17 -0.05 -0.23 -0.04 0.88 0.39 1fvhA1 PHE 142 H -0.15 0.42 0.21 -0.55 8.34 8.27 1fvhA1 PHE 142 HA 0.22 0.20 1.23 -0.75 4.62 5.52 1fvhA1 PHE 142 HB2 0.25 0.03 -0.07 -0.04 3.15 3.33 1fvhA1 PHE 142 HB3 0.06 0.05 -0.19 -0.04 3.06 2.94 1fvhA1 PHE 142 HD2 0.06 0.01 -0.38 -0.04 7.28 6.94 1fvhA1 PHE 142 HE2 0.08 0.03 -0.26 -0.04 7.38 7.19 1fvhA1 PHE 142 HZ 0.13 0.04 -0.20 -0.04 7.32 7.25 1fvhA1 SER 143 H 0.40 0.58 0.38 -0.55 8.46 9.27 1fvhA1 SER 143 HA 0.11 0.28 0.94 -0.75 4.49 5.07 1fvhA1 SER 143 HB2 -0.04 0.05 -0.14 -0.04 3.95 3.77 1fvhA1 SER 143 HB3 0.05 0.02 0.12 -0.04 3.93 4.07 1fvhA1 LEU 144 H 0.24 0.52 0.23 -0.55 8.37 8.81 1fvhA1 LEU 144 HA 0.24 0.18 0.77 -0.75 4.35 4.78 1fvhA1 LEU 144 HB2 0.26 -0.06 0.16 -0.04 1.64 1.96 1fvhA1 LEU 144 HB3 0.19 0.03 0.20 -0.04 1.64 2.02 1fvhA1 LEU 144 HG 0.52 0.01 -0.17 -0.04 1.64 1.96 1fvhA1 LEU 144 HD13 0.14 -0.02 -0.08 -0.04 0.93 0.93 1fvhA1 LEU 144 HD23 0.27 0.02 -0.12 -0.04 0.89 1.02 1fvhA1 ASP 145 H 0.11 -0.03 -0.34 -0.55 8.40 7.60 1fvhA1 ASP 145 HA 0.07 -0.06 0.39 -0.75 4.63 4.28 1fvhA1 ASP 145 HB2 0.07 -0.00 -0.07 -0.04 2.71 2.66 1fvhA1 ASP 145 HB3 0.06 0.03 0.19 -0.04 2.70 2.93 1fvhA1 SER 146 H 0.14 0.59 -0.24 -0.55 8.46 8.40 1fvhA1 SER 146 HA 0.06 0.19 1.00 -0.75 4.49 4.98 1fvhA1 SER 146 HB2 0.11 0.27 0.04 -0.04 3.95 4.33 1fvhA1 SER 146 HB3 0.15 -0.08 0.17 -0.04 3.93 4.13 1fvhA1 PRO 147 HA -0.52 0.01 0.32 -0.51 4.44 3.73 1fvhA1 PRO 147 HB2 -0.30 0.09 -0.04 -0.04 2.28 1.99 1fvhA1 PRO 147 HB3 -0.44 0.02 0.02 -0.04 2.02 1.57 1fvhA1 PRO 147 HG2 -0.07 0.04 0.01 -0.04 2.03 1.97 1fvhA1 PRO 147 HG3 -0.07 0.09 -0.00 -0.04 2.03 2.00 1fvhA1 PRO 147 HD2 0.00 0.32 -0.02 -0.04 3.68 3.95 1fvhA1 PRO 147 HD3 -0.00 0.05 -0.19 -0.04 3.65 3.47 1fvhA1 ASP 148 H -0.00 0.15 -0.36 -0.55 8.40 7.64 1fvhA1 ASP 148 HA 0.03 0.15 0.46 -0.75 4.63 4.51 1fvhA1 ASP 148 HB2 0.02 0.03 0.07 -0.04 2.71 2.78 1fvhA1 ASP 148 HB3 0.04 0.02 -0.01 -0.04 2.70 2.71 1fvhA1 THR 149 H 0.08 0.41 -0.28 -0.55 8.28 7.94 1fvhA1 THR 149 HA 0.08 0.07 0.36 -0.75 4.39 4.15 1fvhA1 THR 149 HB 0.11 0.02 0.08 -0.04 4.32 4.49 1fvhA1 THR 149 HG23 0.01 0.00 -0.07 -0.04 1.22 1.11 1fvhA1 PHE 150 H 0.21 0.28 -0.44 -0.55 8.34 7.84 1fvhA1 PHE 150 HA 0.08 0.01 0.31 -0.75 4.62 4.27 1fvhA1 PHE 150 HB2 0.16 -0.13 0.06 -0.04 3.15 3.20 1fvhA1 PHE 150 HB3 0.03 0.18 0.10 -0.04 3.06 3.32 1fvhA1 PHE 150 HD2 0.20 -0.02 -0.27 -0.04 7.28 7.16 1fvhA1 PHE 150 HE2 0.06 0.07 -0.17 -0.04 7.38 7.29 1fvhA1 PHE 150 HZ -0.05 0.04 -0.16 -0.04 7.32 7.10 1fvhA1 GLN 151 H 0.26 0.21 -0.24 -0.55 8.47 8.15 1fvhA1 GLN 151 HA 0.28 0.06 0.32 -0.75 4.36 4.27 1fvhA1 GLN 151 HB2 0.10 0.09 0.12 -0.04 2.15 2.43 1fvhA1 GLN 151 HB3 0.12 0.02 0.02 -0.04 2.02 2.13 1fvhA1 GLN 151 HG2 0.12 -0.05 0.12 -0.04 2.40 2.54 1fvhA1 GLN 151 HG3 0.08 0.01 0.02 -0.04 2.39 2.46 1fvhA1 GLN 151 HE21 -0.09 0.13 0.00 -0.04 6.97 6.97 1fvhA1 GLN 151 HE22 -0.02 -0.02 -0.02 -0.04 7.69 7.59 1fvhA1 VAL 152 H 0.09 0.26 -0.14 -0.55 8.24 7.91 1fvhA1 VAL 152 HA 0.04 0.07 0.31 -0.75 4.13 3.80 1fvhA1 VAL 152 HB 0.09 0.05 0.11 -0.04 2.12 2.33 1fvhA1 VAL 152 HG13 0.07 0.04 -0.06 -0.04 0.97 0.98 1fvhA1 VAL 152 HG23 0.07 0.01 0.05 -0.04 0.95 1.04 1fvhA1 TYR 153 H 0.01 0.36 -0.35 -0.55 8.29 7.76 1fvhA1 TYR 153 HA -0.20 0.06 0.52 -0.75 4.56 4.19 1fvhA1 TYR 153 HB2 -0.43 0.05 0.09 -0.04 3.06 2.74 1fvhA1 TYR 153 HB3 -1.43 0.02 -0.01 -0.04 2.98 1.52 1fvhA1 TYR 153 HD2 -0.54 0.01 -0.05 -0.04 7.15 6.53 1fvhA1 TYR 153 HE2 -0.03 -0.03 -0.02 -0.04 6.85 6.73 1fvhA1 TYR 154 H -0.17 0.58 0.04 -0.55 8.29 8.19 1fvhA1 TYR 154 HA 0.02 0.26 0.87 -0.75 4.56 4.96 1fvhA1 TYR 154 HB2 -0.36 0.03 -0.02 -0.04 3.06 2.66 1fvhA1 TYR 154 HB3 -0.09 -0.04 -0.02 -0.04 2.98 2.78 1fvhA1 TYR 154 HD2 -0.91 0.17 -0.07 -0.04 7.15 6.29 1fvhA1 TYR 154 HE2 -0.37 -0.01 0.07 -0.04 6.85 6.50 1fvhA1 ASN 155 H 0.07 0.71 0.02 -0.55 8.53 8.78 1fvhA1 ASN 155 HA 0.09 0.14 0.84 -0.75 4.76 5.09 1fvhA1 ASN 155 HB2 0.12 -0.03 0.10 -0.04 2.88 3.03 1fvhA1 ASN 155 HB3 0.07 0.03 0.08 -0.04 2.79 2.93 1fvhA1 ASN 155 HD21 0.03 0.05 0.16 -0.04 7.03 7.23 1fvhA1 ASN 155 HD22 0.07 0.05 0.18 -0.04 7.74 7.99 1fvhA1 PRO 156 HA 0.00 0.17 0.45 -0.51 4.44 4.55 1fvhA1 PRO 156 HB2 0.01 -0.04 0.10 -0.04 2.28 2.30 1fvhA1 PRO 156 HB3 0.00 0.03 0.08 -0.04 2.02 2.10 1fvhA1 PRO 156 HG2 0.03 0.02 0.10 -0.04 2.03 2.13 1fvhA1 PRO 156 HG3 0.04 0.13 0.05 -0.04 2.03 2.20 1fvhA1 PRO 156 HD2 0.03 0.02 0.23 -0.04 3.68 3.93 1fvhA1 PRO 156 HD3 0.06 0.30 0.31 -0.04 3.65 4.29 1fvhA1 SER 157 H 0.01 0.18 -0.00 -0.55 8.46 8.10 1fvhA1 SER 157 HA -0.00 0.04 0.38 -0.75 4.49 4.15 1fvhA1 SER 157 HB2 0.00 -0.00 0.06 -0.04 3.95 3.97 1fvhA1 SER 157 HB3 -0.00 0.00 0.12 -0.04 3.93 4.01 1fvhA1 ARG 158 H 0.02 0.14 -0.62 -0.55 8.46 7.44 1fvhA1 ARG 158 HA 0.02 0.04 0.41 -0.75 4.34 4.05 1fvhA1 ARG 158 HB2 0.04 -0.08 -0.07 -0.04 1.90 1.75 1fvhA1 ARG 158 HB3 0.03 0.24 -0.07 -0.04 1.80 1.95 1fvhA1 ARG 158 HG2 0.05 -0.11 -0.20 -0.04 1.67 1.37 1fvhA1 ARG 158 HG3 0.03 -0.01 0.04 -0.04 1.67 1.70 1fvhA1 ARG 158 HD2 0.03 -0.00 -0.07 -0.04 3.22 3.14 1fvhA1 ARG 158 HD3 0.03 -0.01 -0.10 -0.04 3.22 3.11 1fvhA1 ALA 159 H -0.00 0.53 -0.48 -0.55 8.40 7.90 1fvhA1 ALA 159 HA -0.03 0.09 0.38 -0.75 4.34 4.02 1fvhA1 ALA 159 HB3 -0.02 -0.03 0.16 -0.04 1.41 1.49 1fvhA1 GLN 160 H -0.01 0.11 0.03 -0.55 8.47 8.06 1fvhA1 GLN 160 HA 0.00 0.06 0.65 -0.75 4.36 4.31 1fvhA1 GLN 160 HB2 0.00 0.04 0.01 -0.04 2.15 2.16 1fvhA1 GLN 160 HB3 -0.00 -0.04 0.16 -0.04 2.02 2.10 1fvhA1 GLN 160 HG2 -0.01 0.01 0.05 -0.04 2.40 2.41 1fvhA1 GLN 160 HG3 -0.01 -0.01 0.06 -0.04 2.39 2.39 1fvhA1 GLN 160 HE21 -0.00 0.02 0.03 -0.04 6.97 6.97 1fvhA1 GLN 160 HE22 -0.01 -0.02 0.02 -0.04 7.69 7.65 1fvhA1 GLY 161 H 0.01 0.13 0.17 -0.55 8.43 8.19 1fvhA1 GLY 161 HA2 0.01 -0.01 0.41 -0.51 4.01 3.91 1fvhA1 GLY 161 HA3 0.01 0.18 0.52 -0.51 4.01 4.21 1fvhA1 GLY 162 H 0.02 0.29 -1.49 -0.55 8.43 6.70 1fvhA1 GLY 162 HA2 0.04 -0.00 0.54 -0.51 4.01 4.08 1fvhA1 GLY 162 HA3 0.04 0.36 0.30 -0.51 4.01 4.21 1fvhA1 ILE 163 H 0.03 0.00 -0.18 -0.55 8.25 7.55 1fvhA1 ILE 163 HA 0.06 0.07 0.33 -0.75 4.18 3.89 1fvhA1 ILE 163 HB 0.02 0.06 0.10 -0.04 1.89 2.04 1fvhA1 ILE 163 HG12 0.02 -0.01 -0.31 -0.04 1.49 1.15 1fvhA1 ILE 163 HG13 0.03 0.01 0.03 -0.04 1.21 1.23 1fvhA1 ILE 163 HG23 0.02 -0.03 0.01 -0.04 0.93 0.88 1fvhA1 ILE 163 HD13 0.01 0.01 -0.02 -0.04 0.88 0.84 1fvhA1 PRO 164 HA 0.03 0.10 0.58 -0.51 4.44 4.64 1fvhA1 PRO 164 HB2 0.03 0.07 -0.00 -0.04 2.28 2.33 1fvhA1 PRO 164 HB3 0.02 0.02 0.07 -0.04 2.02 2.09 1fvhA1 PRO 164 HG2 0.02 0.07 0.03 -0.04 2.03 2.11 1fvhA1 PRO 164 HG3 0.02 0.03 -0.03 -0.04 2.03 2.00 1fvhA1 PRO 164 HD2 0.03 0.58 -0.16 -0.04 3.68 4.09 1fvhA1 PRO 164 HD3 0.02 -0.07 -0.09 -0.04 3.65 3.47 1fvhA1 ASN 165 H 0.05 0.41 -0.25 -0.55 8.53 8.20 1fvhA1 ASN 165 HA 0.06 0.03 0.50 -0.75 4.76 4.60 1fvhA1 ASN 165 HB2 0.06 0.02 0.13 -0.04 2.88 3.05 1fvhA1 ASN 165 HB3 0.08 0.30 0.22 -0.04 2.79 3.34 1fvhA1 ASN 165 HD21 0.07 -0.11 -0.04 -0.04 7.03 6.91 1fvhA1 ASN 165 HD22 0.06 0.02 0.03 -0.04 7.74 7.81 1fvhA1 LYS 166 H 0.11 0.52 -0.04 -0.55 8.42 8.45 1fvhA1 LYS 166 HA 0.27 0.01 0.47 -0.75 4.32 4.32 1fvhA1 LYS 166 HB2 0.15 0.09 0.05 -0.04 1.87 2.12 1fvhA1 LYS 166 HB3 0.37 -0.02 0.03 -0.04 1.79 2.13 1fvhA1 LYS 166 HG2 0.24 -0.06 -0.02 -0.04 1.46 1.57 1fvhA1 LYS 166 HG3 0.15 0.13 -0.05 -0.04 1.46 1.65 1fvhA1 LYS 166 HD2 0.29 -0.04 -0.05 -0.04 1.69 1.85 1fvhA1 LYS 166 HD3 0.16 0.10 -0.11 -0.04 1.68 1.79 1fvhA1 LYS 166 HE2 0.07 0.01 -0.25 -0.04 2.99 2.78 1fvhA1 LYS 166 HE3 0.11 -0.04 -0.06 -0.04 2.99 2.95 1fvhA1 GLU 167 H 0.07 0.28 -0.44 -0.55 8.60 7.96 1fvhA1 GLU 167 HA -0.02 0.07 0.56 -0.75 4.29 4.15 1fvhA1 GLU 167 HB2 0.02 0.07 0.10 -0.04 2.09 2.24 1fvhA1 GLU 167 HB3 0.02 0.04 0.16 -0.04 1.99 2.16 1fvhA1 GLU 167 HG2 0.00 -0.01 -0.11 -0.04 2.34 2.18 1fvhA1 GLU 167 HG3 -0.01 -0.02 0.06 -0.04 2.34 2.33 1fvhA1 ARG 168 H 0.06 0.32 -0.31 -0.55 8.46 7.98 1fvhA1 ARG 168 HA 0.03 0.06 0.48 -0.75 4.34 4.16 1fvhA1 ARG 168 HB2 0.04 0.08 0.16 -0.04 1.90 2.14 1fvhA1 ARG 168 HB3 0.06 0.13 0.23 -0.04 1.80 2.18 1fvhA1 ARG 168 HG2 0.06 -0.02 -0.18 -0.04 1.67 1.49 1fvhA1 ARG 168 HG3 0.04 -0.02 0.03 -0.04 1.67 1.68 1fvhA1 ARG 168 HD2 0.04 -0.01 0.01 -0.04 3.22 3.21 1fvhA1 ARG 168 HD3 0.06 0.01 0.03 -0.04 3.22 3.28 1fvhA1 CYS 169 H 0.10 0.41 -0.14 -0.55 8.50 8.33 1fvhA1 CYS 169 HA 0.07 0.03 0.37 -0.75 4.58 4.29 1fvhA1 CYS 169 HB2 0.31 0.12 0.14 -0.04 2.97 3.50 1fvhA1 CYS 169 HB3 0.21 -0.03 -0.04 -0.04 2.97 3.07 1fvhA1 ALA 170 H -0.05 0.42 -0.27 -0.55 8.40 7.95 1fvhA1 ALA 170 HA -0.32 0.00 0.28 -0.75 4.34 3.55 1fvhA1 ALA 170 HB3 -0.27 0.08 -0.15 -0.04 1.41 1.04 1fvhA1 GLU 171 H -0.03 0.34 -0.53 -0.55 8.60 7.83 1fvhA1 GLU 171 HA 0.00 0.06 0.47 -0.75 4.29 4.07 1fvhA1 GLU 171 HB2 0.02 0.02 0.11 -0.04 2.09 2.19 1fvhA1 GLU 171 HB3 0.02 0.16 0.17 -0.04 1.99 2.31 1fvhA1 GLU 171 HG2 0.05 -0.04 0.00 -0.04 2.34 2.32 1fvhA1 GLU 171 HG3 0.07 -0.05 -0.19 -0.04 2.34 2.13 1fvhA1 GLN 172 H -0.00 0.50 -0.01 -0.55 8.47 8.41 1fvhA1 GLN 172 HA 0.05 -0.04 0.49 -0.75 4.36 4.10 1fvhA1 GLN 172 HB2 0.04 0.04 0.22 -0.04 2.15 2.40 1fvhA1 GLN 172 HB3 0.10 0.11 0.06 -0.04 2.02 2.25 1fvhA1 GLN 172 HG2 0.09 -0.06 0.13 -0.04 2.40 2.51 1fvhA1 GLN 172 HG3 0.06 0.05 0.04 -0.04 2.39 2.50 1fvhA1 GLN 172 HE21 0.10 0.00 -0.02 -0.04 6.97 7.01 1fvhA1 GLN 172 HE22 0.10 -0.02 -0.03 -0.04 7.69 7.70 1fvhA1 ILE 173 H -0.12 0.67 -0.15 -0.55 8.25 8.11 1fvhA1 ILE 173 HA -0.25 -0.03 0.26 -0.75 4.18 3.41 1fvhA1 ILE 173 HB -0.20 0.21 0.01 -0.04 1.89 1.87 1fvhA1 ILE 173 HG12 -0.47 -0.09 -0.14 -0.04 1.49 0.75 1fvhA1 ILE 173 HG13 -0.27 0.26 -0.10 -0.04 1.21 1.06 1fvhA1 ILE 173 HG23 -0.11 -0.01 -0.16 -0.04 0.93 0.61 1fvhA1 ILE 173 HD13 -0.60 -0.03 -0.18 -0.04 0.88 0.02 1fvhA1 ALA 174 H -0.14 0.31 -0.49 -0.55 8.40 7.54 1fvhA1 ALA 174 HA -0.21 0.06 0.44 -0.75 4.34 3.88 1fvhA1 ALA 174 HB3 -0.15 0.07 -0.02 -0.04 1.41 1.26 1fvhA1 THR 175 H -0.14 0.36 -0.24 -0.55 8.28 7.71 1fvhA1 THR 175 HA -0.27 0.08 0.37 -0.75 4.39 3.83 1fvhA1 THR 175 HB 0.11 0.06 -0.23 -0.04 4.32 4.22 1fvhA1 THR 175 HG23 0.06 0.05 0.11 -0.04 1.22 1.40 1fvhA1 LEU 176 H -0.29 0.35 -0.41 -0.55 8.37 7.47 1fvhA1 LEU 176 HA -0.75 0.04 0.30 -0.75 4.35 3.19 1fvhA1 LEU 176 HB2 -1.32 -0.06 -0.09 -0.04 1.64 0.13 1fvhA1 LEU 176 HB3 -0.73 0.24 0.02 -0.04 1.64 1.13 1fvhA1 LEU 176 HG -2.37 -0.11 -0.18 -0.04 1.64 -1.07 1fvhA1 LEU 176 HD13 -0.46 0.01 -0.38 -0.04 0.93 0.06 1fvhA1 LEU 176 HD23 -1.34 -0.01 -0.15 -0.04 0.89 -0.65 1fvhA1 CYS 177 H -0.29 0.33 -0.21 -0.55 8.50 7.78 1fvhA1 CYS 177 HA -0.16 -0.01 0.39 -0.75 4.58 4.05 1fvhA1 CYS 177 HB2 -0.16 0.01 0.18 -0.04 2.97 2.95 1fvhA1 CYS 177 HB3 -0.07 0.32 0.01 -0.04 2.97 3.19 1fvhA1 ALA 178 H -0.29 0.79 -0.01 -0.55 8.40 8.34 1fvhA1 ALA 178 HA -0.07 0.00 0.34 -0.75 4.34 3.85 1fvhA1 ALA 178 HB3 -0.36 0.02 0.10 -0.04 1.41 1.13 1fvhA1 THR 179 H -0.10 0.42 -0.45 -0.55 8.28 7.60 1fvhA1 THR 179 HA 0.03 0.05 0.40 -0.75 4.39 4.11 1fvhA1 THR 179 HB -0.00 0.06 0.08 -0.04 4.32 4.41 1fvhA1 THR 179 HG23 0.15 -0.04 -0.11 -0.04 1.22 1.17 1fvhA1 LEU 180 H -0.08 0.44 -0.29 -0.55 8.37 7.90 1fvhA1 LEU 180 HA -0.00 0.12 0.75 -0.75 4.35 4.47 1fvhA1 LEU 180 HB2 -0.06 0.01 0.04 -0.04 1.64 1.59 1fvhA1 LEU 180 HB3 -0.02 -0.04 0.08 -0.04 1.64 1.61 1fvhA1 LEU 180 HG -0.11 0.17 -0.04 -0.04 1.64 1.61 1fvhA1 LEU 180 HD13 -0.06 -0.04 -0.10 -0.04 0.93 0.69 1fvhA1 LEU 180 HD23 0.00 -0.01 -0.09 -0.04 0.89 0.76 1fvhA1 GLY 181 H -0.02 0.45 -0.45 -0.55 8.43 7.87 1fvhA1 GLY 181 HA2 0.01 0.04 0.30 -0.51 4.01 3.85 1fvhA1 GLY 181 HA3 0.01 0.00 0.39 -0.51 4.01 3.90 1fvhA1 GLU 182 H -0.02 0.55 -0.19 -0.55 8.60 8.40 1fvhA1 GLU 182 HA 0.02 0.14 0.84 -0.75 4.29 4.53 1fvhA1 GLU 182 HB2 -0.04 -0.02 0.02 -0.04 2.09 2.01 1fvhA1 GLU 182 HB3 -0.01 -0.05 -0.11 -0.04 1.99 1.78 1fvhA1 GLU 182 HG2 -0.02 0.24 -0.36 -0.04 2.34 2.16 1fvhA1 GLU 182 HG3 -0.02 -0.09 -0.11 -0.04 2.34 2.08 1fvhA1 TYR 183 H 0.11 0.25 -0.08 -0.55 8.29 8.01 1fvhA1 TYR 183 HA -0.02 0.11 0.64 -0.75 4.56 4.54 1fvhA1 TYR 183 HB2 -0.00 -0.02 -0.40 -0.04 3.06 2.60 1fvhA1 TYR 183 HB3 -0.00 0.08 0.01 -0.04 2.98 3.03 1fvhA1 TYR 183 HD2 0.01 0.02 -0.01 -0.04 7.15 7.13 1fvhA1 TYR 183 HE2 0.02 -0.08 -0.23 -0.04 6.85 6.51 1fvhA1 PRO 184 HA -0.03 0.19 0.20 -0.51 4.44 4.29 1fvhA1 PRO 184 HB2 0.01 -0.05 -0.31 -0.04 2.28 1.89 1fvhA1 PRO 184 HB3 0.01 -0.03 -0.27 -0.04 2.02 1.69 1fvhA1 PRO 184 HG2 -0.07 0.01 -0.25 -0.04 2.03 1.67 1fvhA1 PRO 184 HG3 -0.03 -0.00 -0.21 -0.04 2.03 1.75 1fvhA1 PRO 184 HD2 -0.04 0.21 -0.27 -0.04 3.68 3.53 1fvhA1 PRO 184 HD3 -0.02 0.01 -0.44 -0.04 3.65 3.17 1fvhA1 SER 185 H 0.05 0.50 0.16 -0.55 8.46 8.63 1fvhA1 SER 185 HA -0.01 0.09 0.67 -0.75 4.49 4.49 1fvhA1 SER 185 HB2 0.38 -0.03 0.05 -0.04 3.95 4.31 1fvhA1 SER 185 HB3 0.19 -0.07 0.04 -0.04 3.93 4.05 1fvhA1 VAL 186 H 0.07 0.12 0.15 -0.55 8.24 8.03 1fvhA1 VAL 186 HA 0.05 0.29 0.82 -0.75 4.13 4.54 1fvhA1 VAL 186 HB 0.08 -0.13 0.12 -0.04 2.12 2.15 1fvhA1 VAL 186 HG13 0.09 0.04 -0.07 -0.04 0.97 0.99 1fvhA1 VAL 186 HG23 -0.03 0.03 -0.07 -0.04 0.95 0.84 1fvhA1 ARG 187 H 0.03 0.64 0.41 -0.55 8.46 9.00 1fvhA1 ARG 187 HA -0.14 0.27 0.98 -0.75 4.34 4.70 1fvhA1 ARG 187 HB2 -0.16 -0.14 -0.03 -0.04 1.90 1.53 1fvhA1 ARG 187 HB3 -0.29 0.17 -0.03 -0.04 1.80 1.61 1fvhA1 ARG 187 HG2 -1.48 -0.00 -0.24 -0.04 1.67 -0.09 1fvhA1 ARG 187 HG3 -0.36 -0.04 -0.43 -0.04 1.67 0.81 1fvhA1 ARG 187 HD2 -0.71 0.01 -0.13 -0.04 3.22 2.35 1fvhA1 ARG 187 HD3 -0.30 -0.10 -0.13 -0.04 3.22 2.65 1fvhA1 TYR 188 H -0.31 0.55 0.13 -0.55 8.29 8.11 1fvhA1 TYR 188 HA 0.09 0.20 0.82 -0.75 4.56 4.91 1fvhA1 TYR 188 HB2 0.13 -0.07 -0.05 -0.04 3.06 3.03 1fvhA1 TYR 188 HB3 0.10 0.02 -0.25 -0.04 2.98 2.81 1fvhA1 TYR 188 HD2 0.07 0.01 -0.50 -0.04 7.15 6.68 1fvhA1 TYR 188 HE2 0.04 0.02 -0.23 -0.04 6.85 6.64 1fvhA1 ARG 189 H 0.26 0.26 0.18 -0.55 8.46 8.61 1fvhA1 ARG 189 HA -0.21 0.50 1.04 -0.75 4.34 4.92 1fvhA1 ARG 189 HB2 0.21 0.03 0.15 -0.04 1.90 2.25 1fvhA1 ARG 189 HB3 0.18 -0.13 0.27 -0.04 1.80 2.08 1fvhA1 ARG 189 HG2 0.04 -0.18 -0.10 -0.04 1.67 1.40 1fvhA1 ARG 189 HG3 -0.35 0.20 0.09 -0.04 1.67 1.56 1fvhA1 ARG 189 HD2 0.20 0.05 0.01 -0.04 3.22 3.43 1fvhA1 ARG 189 HD3 0.32 -0.02 0.03 -0.04 3.22 3.51 1fvhA1 SER 190 H -0.21 0.51 0.12 -0.55 8.46 8.33 1fvhA1 SER 190 HA 0.29 -0.04 0.21 -0.75 4.49 4.19 1fvhA1 SER 190 HB2 -0.05 0.04 0.15 -0.04 3.95 4.05 1fvhA1 SER 190 HB3 0.03 -0.02 -0.01 -0.04 3.93 3.88 1fvhA1 ASP 191 H 0.06 0.14 -0.23 -0.55 8.40 7.82 1fvhA1 ASP 191 HA 0.10 0.07 0.38 -0.75 4.63 4.41 1fvhA1 ASP 191 HB2 0.08 -0.02 0.13 -0.04 2.71 2.86 1fvhA1 ASP 191 HB3 0.12 0.02 0.01 -0.04 2.70 2.81 1fvhA1 PHE 192 H 0.27 0.43 -0.52 -0.55 8.34 7.97 1fvhA1 PHE 192 HA 0.07 0.24 0.94 -0.75 4.62 5.12 1fvhA1 PHE 192 HB2 0.14 0.07 -0.06 -0.04 3.15 3.26 1fvhA1 PHE 192 HB3 0.16 -0.08 0.21 -0.04 3.06 3.31 1fvhA1 PHE 192 HD2 0.14 -0.02 0.06 -0.04 7.28 7.42 1fvhA1 PHE 192 HE2 -0.12 0.05 -0.11 -0.04 7.38 7.16 1fvhA1 PHE 192 HZ 0.16 0.19 0.03 -0.04 7.32 7.65 1fvhA1 ASP 193 H -0.07 0.29 -0.06 -0.55 8.40 8.02 1fvhA1 ASP 193 HA 0.00 0.07 0.35 -0.75 4.63 4.30 1fvhA1 ASP 193 HB2 -0.20 0.01 -0.02 -0.04 2.71 2.47 1fvhA1 ASP 193 HB3 -0.08 -0.00 0.08 -0.04 2.70 2.66 1fvhA1 GLU 194 H -0.45 0.14 -0.37 -0.55 8.60 7.38 1fvhA1 GLU 194 HA -0.14 0.03 0.46 -0.75 4.29 3.89 1fvhA1 GLU 194 HB2 -0.47 0.04 0.09 -0.04 2.09 1.71 1fvhA1 GLU 194 HB3 -0.32 0.04 0.06 -0.04 1.99 1.73 1fvhA1 GLU 194 HG2 -0.76 0.14 0.04 -0.04 2.34 1.71 1fvhA1 GLU 194 HG3 -0.53 -0.07 -0.06 -0.04 2.34 1.64 1fvhA1 ASN 195 H 0.22 0.90 -0.01 -0.55 8.53 9.10 1fvhA1 ASN 195 HA 0.34 -0.00 0.31 -0.75 4.76 4.65 1fvhA1 ASN 195 HB2 0.30 0.07 -0.08 -0.04 2.88 3.13 1fvhA1 ASN 195 HB3 0.29 -0.06 -0.12 -0.04 2.79 2.86 1fvhA1 ASN 195 HD21 0.30 -0.13 0.10 -0.04 7.03 7.26 1fvhA1 ASN 195 HD22 0.35 0.50 0.13 -0.04 7.74 8.67 1fvhA1 ALA 196 H -0.16 0.28 -0.25 -0.55 8.40 7.73 1fvhA1 ALA 196 HA -1.04 0.02 0.24 -0.75 4.34 2.82 1fvhA1 ALA 196 HB3 -0.27 0.05 0.03 -0.04 1.41 1.18 1fvhA1 SER 197 H -0.07 0.28 -0.19 -0.55 8.46 7.93 1fvhA1 SER 197 HA -0.04 0.02 0.37 -0.75 4.49 4.09 1fvhA1 SER 197 HB2 0.04 0.15 0.10 -0.04 3.95 4.19 1fvhA1 SER 197 HB3 0.01 -0.05 0.04 -0.04 3.93 3.89 1fvhA1 PHE 198 H 0.20 0.44 -0.21 -0.55 8.34 8.21 1fvhA1 PHE 198 HA 0.04 -0.02 0.48 -0.75 4.62 4.36 1fvhA1 PHE 198 HB2 0.21 0.02 0.09 -0.04 3.15 3.44 1fvhA1 PHE 198 HB3 0.13 0.12 0.13 -0.04 3.06 3.41 1fvhA1 PHE 198 HD2 0.11 0.03 -0.09 -0.04 7.28 7.29 1fvhA1 PHE 198 HE2 0.02 0.00 -0.02 -0.04 7.38 7.34 1fvhA1 PHE 198 HZ -0.18 -0.06 -0.13 -0.04 7.32 6.90 1fvhA1 ALA 199 H 0.04 0.82 -0.01 -0.55 8.40 8.70 1fvhA1 ALA 199 HA 0.03 -0.01 0.35 -0.75 4.34 3.96 1fvhA1 ALA 199 HB3 -0.04 0.01 -0.06 -0.04 1.41 1.28 1fvhA1 GLN 200 H -0.08 0.63 -0.22 -0.55 8.47 8.25 1fvhA1 GLN 200 HA -0.04 0.01 0.38 -0.75 4.36 3.95 1fvhA1 GLN 200 HB2 -0.05 0.03 0.08 -0.04 2.15 2.17 1fvhA1 GLN 200 HB3 -0.05 0.15 0.16 -0.04 2.02 2.24 1fvhA1 GLN 200 HG2 -0.02 -0.02 -0.01 -0.04 2.40 2.30 1fvhA1 GLN 200 HG3 -0.03 -0.05 -0.13 -0.04 2.39 2.15 1fvhA1 GLN 200 HE21 0.01 0.04 -0.01 -0.04 6.97 6.96 1fvhA1 GLN 200 HE22 -0.01 -0.06 0.00 -0.04 7.69 7.58 1fvhA1 LEU 201 H -0.13 0.51 -0.07 -0.55 8.37 8.14 1fvhA1 LEU 201 HA -0.09 -0.04 0.38 -0.75 4.35 3.84 1fvhA1 LEU 201 HB2 -0.35 0.17 0.26 -0.04 1.64 1.68 1fvhA1 LEU 201 HB3 -0.30 -0.06 0.02 -0.04 1.64 1.27 1fvhA1 LEU 201 HG -0.05 -0.02 -0.08 -0.04 1.64 1.44 1fvhA1 LEU 201 HD13 -0.05 -0.02 0.04 -0.04 0.93 0.85 1fvhA1 LEU 201 HD23 -0.03 0.07 0.02 -0.04 0.89 0.90 1fvhA1 VAL 202 H -0.39 0.53 -0.08 -0.55 8.24 7.74 1fvhA1 VAL 202 HA -0.20 -0.00 0.35 -0.75 4.13 3.52 1fvhA1 VAL 202 HB -0.16 0.16 0.09 -0.04 2.12 2.17 1fvhA1 VAL 202 HG13 -0.10 0.00 -0.19 -0.04 0.97 0.64 1fvhA1 VAL 202 HG23 -0.50 0.01 0.03 -0.04 0.95 0.45 1fvhA1 GLN 203 H -0.08 0.49 -0.28 -0.55 8.47 8.05 1fvhA1 GLN 203 HA -0.03 0.01 0.31 -0.75 4.36 3.89 1fvhA1 GLN 203 HB2 -0.01 0.02 0.11 -0.04 2.15 2.23 1fvhA1 GLN 203 HB3 -0.02 0.15 0.20 -0.04 2.02 2.31 1fvhA1 GLN 203 HG2 0.02 -0.04 -0.04 -0.04 2.40 2.30 1fvhA1 GLN 203 HG3 0.02 -0.02 -0.27 -0.04 2.39 2.08 1fvhA1 GLN 203 HE21 -0.16 0.11 -0.01 -0.04 6.97 6.87 1fvhA1 GLN 203 HE22 0.05 -0.07 0.01 -0.04 7.69 7.64 1fvhA1 GLN 204 H -0.03 0.60 -0.01 -0.55 8.47 8.49 1fvhA1 GLN 204 HA 0.03 -0.01 0.43 -0.75 4.36 4.05 1fvhA1 GLN 204 HB2 -0.02 0.11 0.22 -0.04 2.15 2.42 1fvhA1 GLN 204 HB3 -0.00 -0.07 0.04 -0.04 2.02 1.94 1fvhA1 GLN 204 HG2 -0.00 -0.05 0.03 -0.04 2.40 2.35 1fvhA1 GLN 204 HG3 -0.01 0.12 0.07 -0.04 2.39 2.53 1fvhA1 GLN 204 HE21 -0.02 -0.05 -0.01 -0.04 6.97 6.85 1fvhA1 GLN 204 HE22 -0.01 -0.01 -0.00 -0.04 7.69 7.63 1fvhA1 LYS 205 H -0.02 0.49 -0.03 -0.55 8.42 8.31 1fvhA1 LYS 205 HA 0.06 -0.08 0.30 -0.75 4.32 3.85 1fvhA1 LYS 205 HB2 -0.04 0.21 0.01 -0.04 1.87 2.00 1fvhA1 LYS 205 HB3 0.03 -0.02 -0.07 -0.04 1.79 1.69 1fvhA1 LYS 205 HG2 -0.03 -0.10 -0.32 -0.04 1.46 0.97 1fvhA1 LYS 205 HG3 0.04 -0.06 0.01 -0.04 1.46 1.40 1fvhA1 LYS 205 HD2 0.00 -0.08 -0.00 -0.04 1.69 1.57 1fvhA1 LYS 205 HD3 -0.04 0.20 0.04 -0.04 1.68 1.83 1fvhA1 LYS 205 HE2 -0.02 -0.05 0.00 -0.04 2.99 2.89 1fvhA1 LYS 205 HE3 -0.02 0.10 0.03 -0.04 2.99 3.06 1fvhA1 LEU 206 H 0.05 0.48 -0.41 -0.55 8.37 7.95 1fvhA1 LEU 206 HA 0.16 0.00 0.53 -0.75 4.35 4.29 1fvhA1 LEU 206 HB2 0.16 0.12 0.04 -0.04 1.64 1.91 1fvhA1 LEU 206 HB3 0.27 -0.02 0.03 -0.04 1.64 1.88 1fvhA1 LEU 206 HG -0.03 -0.08 -0.04 -0.04 1.64 1.44 1fvhA1 LEU 206 HD13 -0.06 0.04 -0.14 -0.04 0.93 0.73 1fvhA1 LEU 206 HD23 -0.06 0.00 -0.09 -0.04 0.89 0.69 1fvhA1 ASP 207 H 0.14 0.65 0.11 -0.55 8.40 8.76 1fvhA1 ASP 207 HA 0.17 0.02 0.45 -0.75 4.63 4.52 1fvhA1 ASP 207 HB2 0.07 0.15 0.28 -0.04 2.71 3.17 1fvhA1 ASP 207 HB3 0.06 -0.10 0.03 -0.04 2.70 2.65 1fvhA1 ALA 208 H 0.07 0.42 -0.22 -0.55 8.40 8.13 1fvhA1 ALA 208 HA -0.03 -0.03 0.30 -0.75 4.34 3.83 1fvhA1 ALA 208 HB3 -0.03 0.04 0.04 -0.04 1.41 1.41 1fvhA1 TYR 209 H 0.27 0.29 -0.29 -0.55 8.29 8.00 1fvhA1 TYR 209 HA -0.02 0.02 0.43 -0.75 4.56 4.22 1fvhA1 TYR 209 HB2 0.02 0.12 0.18 -0.04 3.06 3.34 1fvhA1 TYR 209 HB3 -0.01 0.02 -0.05 -0.04 2.98 2.90 1fvhA1 TYR 209 HD2 0.00 0.21 0.06 -0.04 7.15 7.38 1fvhA1 TYR 209 HE2 0.00 -0.02 -0.03 -0.04 6.85 6.76 1fvhA1 ARG 210 H 0.02 0.62 -0.03 -0.55 8.46 8.51 1fvhA1 ARG 210 HA -0.20 0.15 0.43 -0.75 4.34 3.96 1fvhA1 ARG 210 HB2 -1.18 0.01 0.05 -0.04 1.90 0.74 1fvhA1 ARG 210 HB3 -0.38 -0.01 0.15 -0.04 1.80 1.52 1fvhA1 ARG 210 HG2 -1.03 -0.05 -0.03 -0.04 1.67 0.52 1fvhA1 ARG 210 HG3 -0.34 -0.08 -0.20 -0.04 1.67 1.01 1fvhA1 ARG 210 HD2 -0.33 0.06 0.12 -0.04 3.22 3.04 1fvhA1 ARG 210 HD3 -0.62 0.11 0.01 -0.04 3.22 2.68 1fvhA1 ALA 211 H -0.07 0.77 -0.12 -0.55 8.40 8.43 1fvhA1 ALA 211 HA -0.07 0.00 0.40 -0.75 4.34 3.93 1fvhA1 ALA 211 HB3 -0.04 -0.02 0.04 -0.04 1.41 1.35 1fvhA1 ASP 212 H -0.07 0.37 -0.48 -0.55 8.40 7.68 1fvhA1 ASP 212 HA -0.06 0.03 0.65 -0.75 4.63 4.51 1fvhA1 ASP 212 HB2 -0.12 0.15 0.12 -0.04 2.71 2.82 1fvhA1 ASP 212 HB3 -0.14 0.02 0.16 -0.04 2.70 2.70 1fvhA1 ASP 213 H -0.05 0.23 -0.80 -0.55 8.40 7.23 1fvhA1 ASP 213 HA -0.02 -0.07 0.33 -0.75 4.63 4.12 1fvhA1 ASP 213 HB2 -0.00 0.08 0.42 -0.04 2.71 3.17 1fvhA1 ASP 213 HB3 0.01 0.18 -0.23 -0.04 2.70 2.62 1fvhA1 PRO 214 HA -0.08 0.22 0.50 -0.51 4.44 4.56 1fvhA1 PRO 214 HB2 -0.03 -0.04 0.04 -0.04 2.28 2.21 1fvhA1 PRO 214 HB3 -0.04 0.01 0.10 -0.04 2.02 2.04 1fvhA1 PRO 214 HG2 -0.03 -0.02 0.08 -0.04 2.03 2.02 1fvhA1 PRO 214 HG3 -0.04 0.10 0.09 -0.04 2.03 2.14 1fvhA1 PRO 214 HD2 -0.03 0.05 0.17 -0.04 3.68 3.84 1fvhA1 PRO 214 HD3 -0.04 0.13 0.12 -0.04 3.65 3.83 1fvhA1 THR 215 H -0.02 0.08 -0.24 -0.55 8.28 7.54 1fvhA1 THR 215 HA -0.02 0.10 0.42 -0.75 4.39 4.14 1fvhA1 THR 215 HB -0.01 -0.02 0.11 -0.04 4.32 4.37 1fvhA1 THR 215 HG23 -0.01 -0.02 -0.01 -0.04 1.22 1.15 1fvhA1 MET 216 H -0.04 0.36 -0.53 -0.55 8.47 7.71 1fvhA1 MET 216 HA 0.01 -0.03 0.32 -0.75 4.52 4.07 1fvhA1 MET 216 HB2 -0.01 0.11 -0.01 -0.04 2.15 2.20 1fvhA1 MET 216 HB3 -0.12 0.02 0.01 -0.04 2.03 1.89 1fvhA1 MET 216 HG2 0.10 -0.03 -0.64 -0.04 2.63 2.02 1fvhA1 MET 216 HG3 0.04 -0.07 -0.28 -0.04 2.56 2.20 1fvhA1 MET 216 HE3 0.08 0.02 -0.06 -0.04 2.10 2.10 1fvhA1 GLY 217 H 0.03 0.40 0.12 -0.55 8.43 8.43 1fvhA1 GLY 217 HA2 0.04 0.07 0.37 -0.51 4.01 3.98 1fvhA1 GLY 217 HA3 0.10 0.03 0.44 -0.51 4.01 4.07 1fvhA1 GLU 218 H 0.01 0.28 0.03 -0.55 8.60 8.37 1fvhA1 GLU 218 HA -0.00 -0.02 0.33 -0.75 4.29 3.85 1fvhA1 GLU 218 HB2 -0.00 0.33 0.20 -0.04 2.09 2.57 1fvhA1 GLU 218 HB3 -0.00 -0.03 0.13 -0.04 1.99 2.04 1fvhA1 GLU 218 HG2 -0.01 -0.03 0.00 -0.04 2.34 2.26 1fvhA1 GLU 218 HG3 -0.01 -0.05 -0.11 -0.04 2.34 2.13 1fvhA1 GLY 219 H -0.01 0.10 0.14 -0.55 8.43 8.12 1fvhA1 GLY 219 HA2 -0.01 -0.02 0.40 -0.51 4.01 3.87 1fvhA1 GLY 219 HA3 -0.01 0.03 0.34 -0.51 4.01 3.86 1fvhA1 PRO 220 HA -0.04 -0.01 0.37 -0.51 4.44 4.25 1fvhA1 PRO 220 HB2 -0.03 0.07 0.18 -0.04 2.28 2.46 1fvhA1 PRO 220 HB3 -0.03 0.19 0.28 -0.04 2.02 2.41 1fvhA1 PRO 220 HG2 -0.02 0.05 0.08 -0.04 2.03 2.10 1fvhA1 PRO 220 HG3 -0.02 -0.01 0.14 -0.04 2.03 2.09 1fvhA1 PRO 220 HD2 -0.02 0.36 -0.30 -0.04 3.68 3.69 1fvhA1 PRO 220 HD3 -0.02 -0.02 0.11 -0.04 3.65 3.68 1fvhA1 GLN 221 H -0.06 0.21 0.31 -0.55 8.47 8.38 1fvhA1 GLN 221 HA -0.10 -0.01 0.41 -0.75 4.36 3.91 1fvhA1 GLN 221 HB2 -0.16 0.10 -0.12 -0.04 2.15 1.93 1fvhA1 GLN 221 HB3 -0.23 -0.02 -0.25 -0.04 2.02 1.48 1fvhA1 GLN 221 HG2 -0.12 0.05 -0.10 -0.04 2.40 2.19 1fvhA1 GLN 221 HG3 -0.08 -0.04 -0.01 -0.04 2.39 2.22 1fvhA1 GLN 221 HE21 -0.05 0.05 -0.08 -0.04 6.97 6.86 1fvhA1 GLN 221 HE22 -0.05 -0.07 -0.08 -0.04 7.69 7.45 1fvhA1 LYS 222 H -0.06 0.43 -0.67 -0.55 8.42 7.57 1fvhA1 LYS 222 HA -0.09 -0.01 0.63 -0.75 4.32 4.10 1fvhA1 LYS 222 HB2 -0.02 0.20 -0.48 -0.04 1.87 1.53 1fvhA1 LYS 222 HB3 -0.01 -0.10 0.07 -0.04 1.79 1.70 1fvhA1 LYS 222 HG2 -0.05 -0.11 -0.07 -0.04 1.46 1.18 1fvhA1 LYS 222 HG3 -0.05 0.13 -0.17 -0.04 1.46 1.33 1fvhA1 LYS 222 HD2 -0.01 0.05 -0.01 -0.04 1.69 1.68 1fvhA1 LYS 222 HD3 -0.01 0.15 0.07 -0.04 1.68 1.86 1fvhA1 LYS 222 HE2 -0.02 -0.06 -0.07 -0.04 2.99 2.79 1fvhA1 LYS 222 HE3 -0.02 -0.02 -0.04 -0.04 2.99 2.86 1fvhA1 ASP 223 H -0.06 0.06 -0.40 -0.55 8.40 7.46 1fvhA1 ASP 223 HA 0.00 0.26 0.68 -0.75 4.63 4.82 1fvhA1 ASP 223 HB2 -0.00 -0.01 0.15 -0.04 2.71 2.81 1fvhA1 ASP 223 HB3 -0.01 0.06 0.04 -0.04 2.70 2.76 1fvhA1 ARG 224 H -0.10 0.09 -0.29 -0.55 8.46 7.61 1fvhA1 ARG 224 HA 0.01 0.19 0.87 -0.75 4.34 4.65 1fvhA1 ARG 224 HB2 -0.28 0.10 0.20 -0.04 1.90 1.88 1fvhA1 ARG 224 HB3 -0.06 0.02 0.11 -0.04 1.80 1.83 1fvhA1 ARG 224 HG2 -0.01 0.03 -0.04 -0.04 1.67 1.60 1fvhA1 ARG 224 HG3 -0.06 -0.15 -0.32 -0.04 1.67 1.10 1fvhA1 ARG 224 HD2 -0.06 -0.04 -0.02 -0.04 3.22 3.06 1fvhA1 ARG 224 HD3 -0.16 -0.00 0.01 -0.04 3.22 3.03 1fvhA1 SER 225 H -0.09 -0.05 -0.14 -0.55 8.46 7.64 1fvhA1 SER 225 HA -0.02 0.09 0.44 -0.75 4.49 4.24 1fvhA1 SER 225 HB2 -0.01 0.05 -0.02 -0.04 3.95 3.93 1fvhA1 SER 225 HB3 0.01 0.05 0.06 -0.04 3.93 4.02 1fvhA1 GLN 226 H 0.22 0.60 0.43 -0.55 8.47 9.17 1fvhA1 GLN 226 HA 0.12 0.09 0.92 -0.75 4.36 4.73 1fvhA1 GLN 226 HB2 0.15 -0.09 0.05 -0.04 2.15 2.22 1fvhA1 GLN 226 HB3 0.09 0.00 -0.03 -0.04 2.02 2.04 1fvhA1 GLN 226 HG2 0.29 0.05 -0.15 -0.04 2.40 2.54 1fvhA1 GLN 226 HG3 0.37 0.20 -0.30 -0.04 2.39 2.62 1fvhA1 GLN 226 HE21 0.26 -0.03 -0.01 -0.04 6.97 7.16 1fvhA1 GLN 226 HE22 0.34 0.09 -0.01 -0.04 7.69 8.07 1fvhA1 LEU 227 H 0.05 0.68 0.12 -0.55 8.37 8.68 1fvhA1 LEU 227 HA 0.06 0.40 0.99 -0.75 4.35 5.05 1fvhA1 LEU 227 HB2 0.02 -0.02 -0.12 -0.04 1.64 1.48 1fvhA1 LEU 227 HB3 0.02 -0.02 0.01 -0.04 1.64 1.61 1fvhA1 LEU 227 HG 0.09 0.06 -0.16 -0.04 1.64 1.59 1fvhA1 LEU 227 HD13 -0.01 -0.01 -0.17 -0.04 0.93 0.70 1fvhA1 LEU 227 HD23 0.08 -0.03 -0.27 -0.04 0.89 0.62 1fvhA1 LEU 228 H 0.01 0.49 0.15 -0.55 8.37 8.47 1fvhA1 LEU 228 HA 0.00 0.19 0.84 -0.75 4.35 4.63 1fvhA1 LEU 228 HB2 -0.11 0.04 -0.09 -0.04 1.64 1.44 1fvhA1 LEU 228 HB3 -0.11 -0.05 0.04 -0.04 1.64 1.49 1fvhA1 LEU 228 HG -0.24 0.02 -0.17 -0.04 1.64 1.21 1fvhA1 LEU 228 HD13 -0.23 -0.04 -0.32 -0.04 0.93 0.30 1fvhA1 LEU 228 HD23 0.06 0.02 -0.33 -0.04 0.89 0.60 1fvhA1 ILE 229 H 0.12 0.83 0.40 -0.55 8.25 9.04 1fvhA1 ILE 229 HA 0.15 0.16 0.97 -0.75 4.18 4.72 1fvhA1 ILE 229 HB 0.27 0.03 0.22 -0.04 1.89 2.37 1fvhA1 ILE 229 HG12 0.37 -0.05 -0.07 -0.04 1.49 1.70 1fvhA1 ILE 229 HG13 0.19 0.08 -0.18 -0.04 1.21 1.26 1fvhA1 ILE 229 HG23 0.32 -0.04 -0.18 -0.04 0.93 0.99 1fvhA1 ILE 229 HD13 0.27 -0.02 -0.11 -0.04 0.88 0.99 1fvhA1 LEU 230 H -0.01 0.68 0.43 -0.55 8.37 8.91 1fvhA1 LEU 230 HA 0.01 0.13 1.01 -0.75 4.35 4.76 1fvhA1 LEU 230 HB2 -0.31 -0.01 -0.03 -0.04 1.64 1.24 1fvhA1 LEU 230 HB3 -0.44 0.03 -0.02 -0.04 1.64 1.17 1fvhA1 LEU 230 HG -0.23 0.04 -0.44 -0.04 1.64 0.97 1fvhA1 LEU 230 HD13 -0.97 -0.01 -0.16 -0.04 0.93 -0.26 1fvhA1 LEU 230 HD23 -0.14 0.04 -0.10 -0.04 0.89 0.65 1fvhA1 ASP 231 H 0.05 0.22 0.21 -0.55 8.40 8.33 1fvhA1 ASP 231 HA -0.14 0.20 0.93 -0.75 4.63 4.87 1fvhA1 ASP 231 HB2 -0.41 0.05 0.13 -0.04 2.71 2.44 1fvhA1 ASP 231 HB3 0.05 0.03 0.08 -0.04 2.70 2.81 1fvhA1 ARG 232 H 0.01 0.44 0.21 -0.55 8.46 8.56 1fvhA1 ARG 232 HA 0.07 0.03 0.24 -0.75 4.34 3.93 1fvhA1 ARG 232 HB2 0.01 -0.04 0.07 -0.04 1.90 1.91 1fvhA1 ARG 232 HB3 -0.11 0.02 0.13 -0.04 1.80 1.81 1fvhA1 ARG 232 HG2 0.04 0.21 -0.02 -0.04 1.67 1.86 1fvhA1 ARG 232 HG3 -0.09 0.01 -0.12 -0.04 1.67 1.43 1fvhA1 ARG 232 HD2 -0.12 0.00 -0.08 -0.04 3.22 2.97 1fvhA1 ARG 232 HD3 -0.10 -0.07 0.22 -0.04 3.22 3.23 1fvhA1 GLY 233 H -0.21 0.12 -0.29 -0.55 8.43 7.51 1fvhA1 GLY 233 HA2 -0.23 0.03 0.30 -0.51 4.01 3.60 1fvhA1 GLY 233 HA3 -0.19 0.32 0.26 -0.51 4.01 3.89 1fvhA1 PHE 234 H 0.18 0.44 -0.64 -0.55 8.34 7.76 1fvhA1 PHE 234 HA 0.12 0.12 0.44 -0.75 4.62 4.56 1fvhA1 PHE 234 HB2 0.19 -0.03 0.08 -0.04 3.15 3.35 1fvhA1 PHE 234 HB3 0.04 0.13 0.14 -0.04 3.06 3.32 1fvhA1 PHE 234 HD2 0.16 0.12 -0.12 -0.04 7.28 7.41 1fvhA1 PHE 234 HE2 -0.09 -0.04 -0.24 -0.04 7.38 6.96 1fvhA1 PHE 234 HZ -0.05 -0.16 -0.12 -0.04 7.32 6.94 1fvhA1 ASP 235 H -0.57 0.38 -0.44 -0.55 8.40 7.23 1fvhA1 ASP 235 HA -0.80 0.13 0.43 -0.75 4.63 3.64 1fvhA1 ASP 235 HB2 -0.83 0.17 -0.09 -0.04 2.71 1.91 1fvhA1 ASP 235 HB3 -1.11 -0.03 0.04 -0.04 2.70 1.56 1fvhA1 PRO 236 HA -0.32 0.13 0.48 -0.51 4.44 4.22 1fvhA1 PRO 236 HB2 -0.28 0.02 -0.04 -0.04 2.28 1.94 1fvhA1 PRO 236 HB3 -0.30 0.05 -0.01 -0.04 2.02 1.72 1fvhA1 PRO 236 HG2 -0.70 0.02 -0.07 -0.04 2.03 1.24 1fvhA1 PRO 236 HG3 -0.42 0.12 -0.04 -0.04 2.03 1.64 1fvhA1 PRO 236 HD2 -2.27 0.10 -0.01 -0.04 3.68 1.46 1fvhA1 PRO 236 HD3 -0.65 0.33 -0.17 -0.04 3.65 3.12 1fvhA1 ILE 237 H -0.52 0.06 -0.34 -0.55 8.25 6.91 1fvhA1 ILE 237 HA -0.39 0.16 0.45 -0.75 4.18 3.64 1fvhA1 ILE 237 HB -0.62 -0.10 0.09 -0.04 1.89 1.21 1fvhA1 ILE 237 HG12 -0.31 0.04 -0.09 -0.04 1.49 1.09 1fvhA1 ILE 237 HG13 -0.42 -0.06 -0.06 -0.04 1.21 0.63 1fvhA1 ILE 237 HG23 -1.24 0.01 -0.11 -0.04 0.93 -0.45 1fvhA1 ILE 237 HD13 -0.08 0.06 -0.03 -0.04 0.88 0.80 1fvhA1 SER 238 H -0.13 0.08 -0.07 -0.55 8.46 7.79 1fvhA1 SER 238 HA -0.15 0.03 0.23 -0.75 4.49 3.84 1fvhA1 SER 238 HB2 -0.01 0.17 0.06 -0.04 3.95 4.13 1fvhA1 SER 238 HB3 0.13 -0.11 -0.07 -0.04 3.93 3.83 1fvhA1 PRO 239 HA -0.08 -0.05 0.40 -0.51 4.44 4.20 1fvhA1 PRO 239 HB2 -0.11 0.04 -0.02 -0.04 2.28 2.15 1fvhA1 PRO 239 HB3 -0.10 -0.13 -0.04 -0.04 2.02 1.71 1fvhA1 PRO 239 HG2 -0.18 0.18 -0.19 -0.04 2.03 1.80 1fvhA1 PRO 239 HG3 -0.16 0.11 -0.04 -0.04 2.03 1.90 1fvhA1 PRO 239 HD2 -0.22 0.03 -0.49 -0.04 3.68 2.96 1fvhA1 PRO 239 HD3 -0.14 -0.00 0.01 -0.04 3.65 3.48 1fvhA1 LEU 240 H -0.20 0.56 -0.57 -0.55 8.37 7.62 1fvhA1 LEU 240 HA -0.14 0.09 0.90 -0.75 4.35 4.45 1fvhA1 LEU 240 HB2 -0.21 0.21 0.14 -0.04 1.64 1.74 1fvhA1 LEU 240 HB3 -0.14 -0.10 0.00 -0.04 1.64 1.36 1fvhA1 LEU 240 HG -0.17 0.12 -0.09 -0.04 1.64 1.46 1fvhA1 LEU 240 HD13 -0.14 -0.01 -0.04 -0.04 0.93 0.70 1fvhA1 LEU 240 HD23 -0.12 -0.02 -0.04 -0.04 0.89 0.66 1fvhA1 LEU 241 H -0.21 0.23 0.01 -0.55 8.37 7.86 1fvhA1 LEU 241 HA -0.10 0.03 0.32 -0.75 4.35 3.85 1fvhA1 LEU 241 HB2 -0.16 0.04 0.01 -0.04 1.64 1.49 1fvhA1 LEU 241 HB3 -0.06 0.01 -0.28 -0.04 1.64 1.28 1fvhA1 LEU 241 HG -0.28 -0.02 -0.13 -0.04 1.64 1.17 1fvhA1 LEU 241 HD13 -0.22 0.01 -0.10 -0.04 0.93 0.58 1fvhA1 LEU 241 HD23 -0.88 0.07 -0.26 -0.04 0.89 -0.22 1fvhA1 HIS 242 H 0.11 0.14 0.09 -0.55 8.41 8.20 1fvhA1 HIS 242 HA 0.01 0.09 0.54 -0.75 4.63 4.51 1fvhA1 HIS 242 HB2 -0.02 -0.04 0.18 -0.04 3.26 3.34 1fvhA1 HIS 242 HB3 0.01 0.03 0.04 -0.04 3.20 3.23 1fvhA1 HIS 242 HD2 -0.06 0.01 0.01 -0.04 6.97 6.89 1fvhA1 HIS 242 HE1 -0.04 0.02 -0.01 -0.04 7.75 7.66 1fvhA1 GLU 243 H 0.05 0.22 0.10 -0.55 8.60 8.43 1fvhA1 GLU 243 HA 0.07 0.11 0.50 -0.75 4.29 4.23 1fvhA1 GLU 243 HB2 0.07 0.11 0.02 -0.04 2.09 2.24 1fvhA1 GLU 243 HB3 0.07 -0.06 -0.09 -0.04 1.99 1.87 1fvhA1 GLU 243 HG2 0.08 -0.07 -0.03 -0.04 2.34 2.28 1fvhA1 GLU 243 HG3 0.06 -0.16 0.07 -0.04 2.34 2.26 1fvhA1 LEU 244 H -0.01 0.13 0.09 -0.55 8.37 8.03 1fvhA1 LEU 244 HA -0.06 0.29 0.92 -0.75 4.35 4.75 1fvhA1 LEU 244 HB2 -0.17 0.03 0.01 -0.04 1.64 1.47 1fvhA1 LEU 244 HB3 -0.64 -0.14 0.12 -0.04 1.64 0.95 1fvhA1 LEU 244 HG -0.04 -0.05 -0.04 -0.04 1.64 1.47 1fvhA1 LEU 244 HD13 0.13 0.05 -0.38 -0.04 0.93 0.69 1fvhA1 LEU 244 HD23 0.16 0.02 -0.11 -0.04 0.89 0.91 1fvhA1 THR 245 H -0.04 0.03 -0.07 -0.55 8.28 7.65 1fvhA1 THR 245 HA -0.13 0.09 0.63 -0.75 4.39 4.22 1fvhA1 THR 245 HB 0.03 0.36 -0.17 -0.04 4.32 4.49 1fvhA1 THR 245 HG23 0.03 -0.03 -0.03 -0.04 1.22 1.14 1fvhA1 PHE 246 H 0.07 1.02 0.15 -0.55 8.34 9.02 1fvhA1 PHE 246 HA -0.07 -0.04 0.20 -0.75 4.62 3.96 1fvhA1 PHE 246 HB2 -0.17 0.20 0.03 -0.04 3.15 3.17 1fvhA1 PHE 246 HB3 -0.31 -0.09 0.05 -0.04 3.06 2.67 1fvhA1 PHE 246 HD2 -0.17 -0.05 -0.22 -0.04 7.28 6.79 1fvhA1 PHE 246 HE2 -0.06 0.01 -0.19 -0.04 7.38 7.10 1fvhA1 PHE 246 HZ 0.03 0.03 -0.05 -0.04 7.32 7.29 1fvhA1 GLN 247 H -0.15 0.79 0.18 -0.55 8.47 8.74 1fvhA1 GLN 247 HA 0.12 0.02 0.41 -0.75 4.36 4.16 1fvhA1 GLN 247 HB2 -0.40 -0.03 0.13 -0.04 2.15 1.82 1fvhA1 GLN 247 HB3 -0.13 0.01 0.11 -0.04 2.02 1.98 1fvhA1 GLN 247 HG2 -0.77 -0.04 -0.28 -0.04 2.40 1.27 1fvhA1 GLN 247 HG3 -0.17 0.01 -0.03 -0.04 2.39 2.16 1fvhA1 GLN 247 HE21 0.11 0.02 -0.08 -0.04 6.97 6.97 1fvhA1 GLN 247 HE22 -0.18 0.02 -0.07 -0.04 7.69 7.42 1fvhA1 ALA 248 H -0.01 0.17 -0.15 -0.55 8.40 7.87 1fvhA1 ALA 248 HA -0.02 -0.02 0.36 -0.75 4.34 3.91 1fvhA1 ALA 248 HB3 0.12 -0.00 -0.06 -0.04 1.41 1.43 1fvhA1 MET 249 H 0.04 0.49 -0.45 -0.55 8.47 8.00 1fvhA1 MET 249 HA 0.08 0.09 0.62 -0.75 4.52 4.56 1fvhA1 MET 249 HB2 0.04 0.01 -0.05 -0.04 2.15 2.11 1fvhA1 MET 249 HB3 0.08 0.07 -0.10 -0.04 2.03 2.04 1fvhA1 MET 249 HG2 0.10 -0.06 -0.14 -0.04 2.63 2.49 1fvhA1 MET 249 HG3 0.11 0.06 0.06 -0.04 2.56 2.75 1fvhA1 MET 249 HE3 0.13 0.00 -0.06 -0.04 2.10 2.14 1fvhA1 ALA 250 H 0.02 0.60 0.05 -0.55 8.40 8.52 1fvhA1 ALA 250 HA -0.02 0.04 0.49 -0.75 4.34 4.10 1fvhA1 ALA 250 HB3 -0.18 -0.00 0.05 -0.04 1.41 1.23 1fvhA1 TYR 251 H 0.20 0.51 -0.01 -0.55 8.29 8.44 1fvhA1 TYR 251 HA -0.05 0.05 0.41 -0.75 4.56 4.22 1fvhA1 TYR 251 HB2 -0.26 0.03 0.09 -0.04 3.06 2.88 1fvhA1 TYR 251 HB3 0.07 -0.01 0.04 -0.04 2.98 3.03 1fvhA1 TYR 251 HD2 -0.04 0.06 0.05 -0.04 7.15 7.18 1fvhA1 TYR 251 HE2 0.00 -0.04 -0.02 -0.04 6.85 6.76 1fvhA1 ASP 252 H 0.10 0.17 -0.52 -0.55 8.40 7.60 1fvhA1 ASP 252 HA 0.08 -0.01 0.62 -0.75 4.63 4.57 1fvhA1 ASP 252 HB2 0.07 0.07 0.23 -0.04 2.71 3.05 1fvhA1 ASP 252 HB3 0.08 0.10 0.24 -0.04 2.70 3.08 1fvhA1 LEU 253 H 0.08 0.48 0.07 -0.55 8.37 8.46 1fvhA1 LEU 253 HA 0.13 0.10 0.73 -0.75 4.35 4.56 1fvhA1 LEU 253 HB2 0.11 0.06 0.11 -0.04 1.64 1.88 1fvhA1 LEU 253 HB3 0.15 -0.06 0.12 -0.04 1.64 1.81 1fvhA1 LEU 253 HG 0.16 0.09 0.10 -0.04 1.64 1.95 1fvhA1 LEU 253 HD13 0.17 -0.03 0.00 -0.04 0.93 1.03 1fvhA1 LEU 253 HD23 0.26 -0.01 -0.08 -0.04 0.89 1.02 1fvhA1 LEU 254 H 0.03 0.45 -0.08 -0.55 8.37 8.22 1fvhA1 LEU 254 HA 0.05 0.20 0.93 -0.75 4.35 4.78 1fvhA1 LEU 254 HB2 -0.06 0.06 -0.01 -0.04 1.64 1.58 1fvhA1 LEU 254 HB3 0.06 -0.01 0.02 -0.04 1.64 1.67 1fvhA1 LEU 254 HG 0.03 -0.06 -0.11 -0.04 1.64 1.45 1fvhA1 LEU 254 HD13 -0.06 -0.03 -0.07 -0.04 0.93 0.72 1fvhA1 LEU 254 HD23 0.09 0.07 -0.21 -0.04 0.89 0.79 1fvhA1 PRO 255 HA 0.00 0.14 0.61 -0.51 4.44 4.68 1fvhA1 PRO 255 HB2 0.01 -0.02 0.20 -0.04 2.28 2.43 1fvhA1 PRO 255 HB3 0.02 0.04 0.09 -0.04 2.02 2.13 1fvhA1 PRO 255 HG2 0.04 0.00 0.19 -0.04 2.03 2.22 1fvhA1 PRO 255 HG3 0.03 0.04 0.13 -0.04 2.03 2.19 1fvhA1 PRO 255 HD2 0.08 0.08 0.18 -0.04 3.68 3.97 1fvhA1 PRO 255 HD3 0.05 0.18 0.17 -0.04 3.65 4.01 1fvhA1 ILE 256 H -0.12 0.44 -0.12 -0.55 8.25 7.90 1fvhA1 ILE 256 HA -0.09 0.33 0.79 -0.75 4.18 4.46 1fvhA1 ILE 256 HB -0.71 -0.00 0.08 -0.04 1.89 1.22 1fvhA1 ILE 256 HG12 -0.15 -0.01 -0.23 -0.04 1.49 1.05 1fvhA1 ILE 256 HG13 -0.17 -0.03 -0.41 -0.04 1.21 0.55 1fvhA1 ILE 256 HG23 -0.43 -0.05 -0.39 -0.04 0.93 0.03 1fvhA1 ILE 256 HD13 -0.55 -0.01 -0.30 -0.04 0.88 -0.03 1fvhA1 GLU 257 H -0.04 0.36 0.04 -0.55 8.60 8.42 1fvhA1 GLU 257 HA 0.01 0.06 0.59 -0.75 4.29 4.19 1fvhA1 GLU 257 HB2 -0.00 0.04 0.05 -0.04 2.09 2.14 1fvhA1 GLU 257 HB3 0.01 -0.02 0.07 -0.04 1.99 2.01 1fvhA1 GLU 257 HG2 0.00 -0.02 -0.11 -0.04 2.34 2.16 1fvhA1 GLU 257 HG3 -0.01 0.15 -0.02 -0.04 2.34 2.42 1fvhA1 ASN 258 H 0.04 0.15 0.17 -0.55 8.53 8.34 1fvhA1 ASN 258 HA 0.07 0.01 0.33 -0.75 4.76 4.42 1fvhA1 ASN 258 HB2 0.02 0.07 -0.27 -0.04 2.88 2.67 1fvhA1 ASN 258 HB3 0.04 0.03 0.18 -0.04 2.79 3.00 1fvhA1 ASN 258 HD21 0.02 -0.00 -0.00 -0.04 7.03 7.01 1fvhA1 ASN 258 HD22 0.02 0.04 -0.05 -0.04 7.74 7.71 1fvhA1 ASP 259 H 0.06 0.13 -0.70 -0.55 8.40 7.34 1fvhA1 ASP 259 HA 0.05 -0.00 0.16 -0.75 4.63 4.09 1fvhA1 ASP 259 HB2 0.13 0.28 -0.02 -0.04 2.71 3.07 1fvhA1 ASP 259 HB3 0.11 -0.02 0.24 -0.04 2.70 2.98 1fvhA1 VAL 260 H -0.04 0.74 -0.18 -0.55 8.24 8.22 1fvhA1 VAL 260 HA -0.07 0.19 1.18 -0.75 4.13 4.68 1fvhA1 VAL 260 HB -0.04 -0.01 -0.13 -0.04 2.12 1.90 1fvhA1 VAL 260 HG13 -0.01 -0.00 -0.07 -0.04 0.97 0.84 1fvhA1 VAL 260 HG23 -0.06 -0.01 -0.33 -0.04 0.95 0.51 1fvhA1 TYR 261 H -0.02 0.69 0.24 -0.55 8.29 8.64 1fvhA1 TYR 261 HA -0.13 0.15 0.77 -0.75 4.56 4.60 1fvhA1 TYR 261 HB2 -0.24 -0.03 -0.10 -0.04 3.06 2.65 1fvhA1 TYR 261 HB3 -0.20 -0.01 0.05 -0.04 2.98 2.78 1fvhA1 TYR 261 HD2 -0.10 -0.01 -0.13 -0.04 7.15 6.87 1fvhA1 TYR 261 HE2 0.02 0.05 -0.13 -0.04 6.85 6.75 1fvhA1 LYS 262 H -0.17 0.25 0.11 -0.55 8.42 8.06 1fvhA1 LYS 262 HA -0.29 0.04 0.93 -0.75 4.32 4.25 1fvhA1 LYS 262 HB2 0.04 0.08 0.09 -0.04 1.87 2.04 1fvhA1 LYS 262 HB3 -0.07 0.01 0.02 -0.04 1.79 1.71 1fvhA1 LYS 262 HG2 -0.07 0.01 0.19 -0.04 1.46 1.55 1fvhA1 LYS 262 HG3 -0.02 -0.00 0.08 -0.04 1.46 1.47 1fvhA1 LYS 262 HD2 -0.02 0.01 0.04 -0.04 1.69 1.68 1fvhA1 LYS 262 HD3 -0.02 -0.01 0.05 -0.04 1.68 1.66 1fvhA1 LYS 262 HE2 0.01 0.02 0.01 -0.04 2.99 2.99 1fvhA1 LYS 262 HE3 0.00 -0.01 0.01 -0.04 2.99 2.94 1fvhA1 TYR 263 H -0.55 0.26 0.83 -0.55 8.29 8.27 1fvhA1 TYR 263 HA -0.33 0.06 0.81 -0.75 4.56 4.34 1fvhA1 TYR 263 HB2 -0.20 0.11 -0.22 -0.04 3.06 2.70 1fvhA1 TYR 263 HB3 -0.21 -0.01 0.04 -0.04 2.98 2.75 1fvhA1 TYR 263 HD2 -0.17 -0.06 -0.12 -0.04 7.15 6.77 1fvhA1 TYR 263 HE2 -0.09 -0.01 -0.03 -0.04 6.85 6.67 1fvhA1 GLU 275 HA -0.36 -0.23 0.41 -0.75 4.29 3.35 1fvhA1 GLU 275 HB2 -0.12 0.02 -0.20 -0.04 2.09 1.75 1fvhA1 GLU 275 HB3 -0.08 -0.06 0.08 -0.04 1.99 1.89 1fvhA1 GLU 275 HG2 -0.07 -0.00 0.04 -0.04 2.34 2.26 1fvhA1 GLU 275 HG3 -0.09 0.01 -0.17 -0.04 2.34 2.05 1fvhA1 VAL 276 H -0.18 0.71 0.14 -0.55 8.24 8.36 1fvhA1 VAL 276 HA -0.12 0.20 0.92 -0.75 4.13 4.38 1fvhA1 VAL 276 HB -0.06 -0.02 -0.03 -0.04 2.12 1.97 1fvhA1 VAL 276 HG13 -0.11 0.01 -0.04 -0.04 0.97 0.79 1fvhA1 VAL 276 HG23 -0.17 0.00 -0.18 -0.04 0.95 0.56 1fvhA1 LEU 277 H -0.09 0.19 0.17 -0.55 8.37 8.09 1fvhA1 LEU 277 HA -0.09 0.27 1.06 -0.75 4.35 4.84 1fvhA1 LEU 277 HB2 -0.04 0.03 -0.02 -0.04 1.64 1.57 1fvhA1 LEU 277 HB3 -0.05 -0.05 0.14 -0.04 1.64 1.63 1fvhA1 LEU 277 HG -0.05 -0.07 -0.47 -0.04 1.64 1.01 1fvhA1 LEU 277 HD13 0.01 0.11 -0.07 -0.04 0.93 0.93 1fvhA1 LEU 277 HD23 -0.00 -0.01 -0.07 -0.04 0.89 0.77 1fvhA1 LEU 278 H -0.19 0.64 0.24 -0.55 8.37 8.52 1fvhA1 LEU 278 HA -0.62 0.02 0.65 -0.75 4.35 3.64 1fvhA1 LEU 278 HB2 -0.31 0.04 0.21 -0.04 1.64 1.54 1fvhA1 LEU 278 HB3 -1.42 -0.06 0.04 -0.04 1.64 0.16 1fvhA1 LEU 278 HG -0.37 0.05 -0.08 -0.04 1.64 1.20 1fvhA1 LEU 278 HD13 -0.66 -0.01 -0.09 -0.04 0.93 0.12 1fvhA1 LEU 278 HD23 -0.82 -0.00 -0.15 -0.04 0.89 -0.13 1fvhA1 ASP 279 H -0.17 0.25 0.24 -0.55 8.40 8.17 1fvhA1 ASP 279 HA 0.02 0.28 0.87 -0.75 4.63 5.04 1fvhA1 ASP 279 HB2 -0.01 0.08 -0.18 -0.04 2.71 2.56 1fvhA1 ASP 279 HB3 0.01 -0.12 0.01 -0.04 2.70 2.56 1fvhA1 GLU 280 H 0.09 0.36 0.20 -0.55 8.60 8.70 1fvhA1 GLU 280 HA 0.18 0.01 0.53 -0.75 4.29 4.25 1fvhA1 GLU 280 HB2 0.07 0.15 0.14 -0.04 2.09 2.41 1fvhA1 GLU 280 HB3 0.06 0.05 0.12 -0.04 1.99 2.18 1fvhA1 GLU 280 HG2 0.05 -0.05 0.08 -0.04 2.34 2.38 1fvhA1 GLU 280 HG3 0.06 0.13 0.16 -0.04 2.34 2.65 1fvhA1 LYS 281 H 0.06 0.09 -0.29 -0.55 8.42 7.72 1fvhA1 LYS 281 HA 0.04 0.16 0.41 -0.75 4.32 4.18 1fvhA1 LYS 281 HB2 0.03 -0.00 -0.05 -0.04 1.87 1.80 1fvhA1 LYS 281 HB3 0.03 0.04 0.08 -0.04 1.79 1.91 1fvhA1 LYS 281 HG2 0.04 -0.00 0.03 -0.04 1.46 1.48 1fvhA1 LYS 281 HG3 0.04 -0.08 0.04 -0.04 1.46 1.41 1fvhA1 LYS 281 HD2 0.03 -0.02 -0.07 -0.04 1.69 1.59 1fvhA1 LYS 281 HD3 0.03 0.27 -0.01 -0.04 1.68 1.93 1fvhA1 LYS 281 HE2 0.03 -0.07 0.00 -0.04 2.99 2.91 1fvhA1 LYS 281 HE3 0.02 0.00 0.01 -0.04 2.99 2.98 1fvhA1 ASP 282 H 0.09 0.25 -0.56 -0.55 8.40 7.64 1fvhA1 ASP 282 HA 0.03 0.14 0.45 -0.75 4.63 4.49 1fvhA1 ASP 282 HB2 0.07 0.10 0.24 -0.04 2.71 3.08 1fvhA1 ASP 282 HB3 0.28 -0.19 0.12 -0.04 2.70 2.87 1fvhA1 ASP 283 H 0.10 0.28 -0.26 -0.55 8.40 7.98 1fvhA1 ASP 283 HA 0.05 0.10 0.35 -0.75 4.63 4.38 1fvhA1 ASP 283 HB2 0.04 0.06 -0.08 -0.04 2.71 2.69 1fvhA1 ASP 283 HB3 0.04 0.37 -0.13 -0.04 2.70 2.94 1fvhA1 LEU 284 H 0.09 0.53 -0.32 -0.55 8.37 8.13 1fvhA1 LEU 284 HA 0.08 0.20 0.54 -0.75 4.35 4.41 1fvhA1 LEU 284 HB2 0.15 -0.04 0.05 -0.04 1.64 1.76 1fvhA1 LEU 284 HB3 0.18 -0.01 -0.04 -0.04 1.64 1.73 1fvhA1 LEU 284 HG -0.05 0.10 0.07 -0.04 1.64 1.72 1fvhA1 LEU 284 HD13 -0.59 0.00 0.01 -0.04 0.93 0.31 1fvhA1 LEU 284 HD23 0.05 0.02 -0.02 -0.04 0.89 0.90 1fvhA1 TRP 285 H 0.44 0.15 -0.15 -0.55 7.97 7.86 1fvhA1 TRP 285 HA -0.12 0.05 0.35 -0.75 4.62 4.15 1fvhA1 TRP 285 HB2 0.15 0.06 0.10 -0.04 3.23 3.50 1fvhA1 TRP 285 HB3 0.01 0.01 0.07 -0.04 3.23 3.27 1fvhA1 TRP 285 HD1 -0.08 0.08 -0.36 -0.04 7.22 6.82 1fvhA1 TRP 285 HE1 -0.15 0.07 -0.18 -0.04 10.20 9.90 1fvhA1 TRP 285 HE3 -0.41 0.00 -0.01 -0.04 7.59 7.13 1fvhA1 TRP 285 HZ2 -0.21 0.03 -0.03 -0.04 7.44 7.19 1fvhA1 TRP 285 HZ3 -1.16 0.03 -0.12 -0.04 7.13 5.83 1fvhA1 TRP 285 HH2 -0.54 0.02 -0.09 -0.04 7.19 6.54 1fvhA1 VAL 286 H 0.10 0.07 -0.48 -0.55 8.24 7.38 1fvhA1 VAL 286 HA -0.41 -0.01 0.26 -0.75 4.13 3.22 1fvhA1 VAL 286 HB -0.03 0.25 -0.02 -0.04 2.12 2.27 1fvhA1 VAL 286 HG13 -0.12 0.01 0.07 -0.04 0.97 0.88 1fvhA1 VAL 286 HG23 0.04 -0.03 0.11 -0.04 0.95 1.03 1fvhA1 GLU 287 H -0.09 0.51 -0.81 -0.55 8.60 7.66 1fvhA1 GLU 287 HA -0.13 0.19 0.87 -0.75 4.29 4.47 1fvhA1 GLU 287 HB2 -0.01 0.08 0.08 -0.04 2.09 2.20 1fvhA1 GLU 287 HB3 -0.02 -0.01 0.01 -0.04 1.99 1.93 1fvhA1 GLU 287 HG2 -0.04 -0.00 0.11 -0.04 2.34 2.37 1fvhA1 GLU 287 HG3 -0.00 0.03 0.02 -0.04 2.34 2.34 1fvhA1 MET 288 H -0.25 0.32 0.07 -0.55 8.47 8.07 1fvhA1 MET 288 HA -0.15 0.19 0.91 -0.75 4.52 4.72 1fvhA1 MET 288 HB2 -0.05 -0.01 0.04 -0.04 2.15 2.09 1fvhA1 MET 288 HB3 -0.15 -0.08 -0.02 -0.04 2.03 1.74 1fvhA1 MET 288 HG2 -0.00 0.14 -0.13 -0.04 2.63 2.60 1fvhA1 MET 288 HG3 -0.02 -0.04 -0.10 -0.04 2.56 2.36 1fvhA1 MET 288 HE3 -0.15 -0.04 -0.03 -0.04 2.10 1.84 1fvhA1 ARG 289 H -0.82 0.77 0.18 -0.55 8.46 8.04 1fvhA1 ARG 289 HA -1.16 -0.08 0.34 -0.75 4.34 2.69 1fvhA1 ARG 289 HB2 -1.22 -0.07 -0.00 -0.04 1.90 0.57 1fvhA1 ARG 289 HB3 -1.77 0.18 0.02 -0.04 1.80 0.19 1fvhA1 ARG 289 HG2 -1.19 -0.25 -0.11 -0.04 1.67 0.08 1fvhA1 ARG 289 HG3 -1.97 -0.03 -0.22 -0.04 1.67 -0.60 1fvhA1 ARG 289 HD2 -0.75 0.03 0.00 -0.04 3.22 2.46 1fvhA1 ARG 289 HD3 -1.03 0.08 -0.03 -0.04 3.22 2.20 1fvhA1 HIS 290 H -0.46 0.19 -0.41 -0.55 8.41 7.18 1fvhA1 HIS 290 HA -0.11 0.06 0.77 -0.75 4.63 4.60 1fvhA1 HIS 290 HB2 -0.12 0.10 -0.07 -0.04 3.26 3.13 1fvhA1 HIS 290 HB3 -0.05 0.01 0.07 -0.04 3.20 3.18 1fvhA1 HIS 290 HD2 -0.26 0.11 -0.04 -0.04 6.97 6.73 1fvhA1 HIS 290 HE1 -0.14 -0.03 -0.16 -0.04 7.75 7.38 1fvhA1 GLN 291 H -0.10 0.38 -0.15 -0.55 8.47 8.06 1fvhA1 GLN 291 HA 0.01 0.09 0.44 -0.75 4.36 4.16 1fvhA1 GLN 291 HB2 -0.12 0.12 0.14 -0.04 2.15 2.25 1fvhA1 GLN 291 HB3 -0.07 -0.04 -0.04 -0.04 2.02 1.83 1fvhA1 GLN 291 HG2 -0.02 -0.01 0.03 -0.04 2.40 2.37 1fvhA1 GLN 291 HG3 -0.07 0.08 0.07 -0.04 2.39 2.43 1fvhA1 GLN 291 HE21 -0.04 -0.05 -0.01 -0.04 6.97 6.83 1fvhA1 GLN 291 HE22 -0.06 0.38 0.15 -0.04 7.69 8.13 1fvhA1 HIS 292 H 0.07 0.18 0.15 -0.55 8.41 8.27 1fvhA1 HIS 292 HA -0.10 0.14 0.72 -0.75 4.63 4.64 1fvhA1 HIS 292 HB2 -0.11 0.09 0.08 -0.04 3.26 3.29 1fvhA1 HIS 292 HB3 -0.18 -0.02 0.13 -0.04 3.20 3.09 1fvhA1 HIS 292 HD2 -0.22 0.06 -0.08 -0.04 6.97 6.69 1fvhA1 HIS 292 HE1 -0.41 0.02 -0.02 -0.04 7.75 7.29 1fvhA1 ILE 293 H -0.32 0.62 0.30 -0.55 8.25 8.30 1fvhA1 ILE 293 HA -0.20 -0.02 0.31 -0.75 4.18 3.51 1fvhA1 ILE 293 HB -0.23 0.15 0.17 -0.04 1.89 1.94 1fvhA1 ILE 293 HG12 0.02 0.00 -0.02 -0.04 1.49 1.46 1fvhA1 ILE 293 HG13 -0.00 0.06 -0.05 -0.04 1.21 1.17 1fvhA1 ILE 293 HG23 -0.13 -0.01 -0.20 -0.04 0.93 0.54 1fvhA1 ILE 293 HD13 -0.07 -0.02 0.04 -0.04 0.88 0.78 1fvhA1 ALA 294 H 0.26 0.10 -0.24 -0.55 8.40 7.97 1fvhA1 ALA 294 HA -0.03 0.03 0.34 -0.75 4.34 3.93 1fvhA1 ALA 294 HB3 -0.12 0.01 0.03 -0.04 1.41 1.29 1fvhA1 VAL 295 H -0.00 0.57 -0.31 -0.55 8.24 7.94 1fvhA1 VAL 295 HA -0.02 0.19 1.00 -0.75 4.13 4.55 1fvhA1 VAL 295 HB -0.00 -0.02 0.13 -0.04 2.12 2.18 1fvhA1 VAL 295 HG13 0.07 0.00 -0.10 -0.04 0.97 0.90 1fvhA1 VAL 295 HG23 0.01 0.04 -0.06 -0.04 0.95 0.90 1fvhA1 VAL 296 H -0.14 0.62 0.01 -0.55 8.24 8.18 1fvhA1 VAL 296 HA -0.20 0.07 0.35 -0.75 4.13 3.60 1fvhA1 VAL 296 HB -0.41 0.02 0.15 -0.04 2.12 1.83 1fvhA1 VAL 296 HG13 -0.98 0.00 -0.17 -0.04 0.97 -0.22 1fvhA1 VAL 296 HG23 -0.48 0.02 -0.29 -0.04 0.95 0.17 1fvhA1 SER 297 H -0.13 0.24 0.01 -0.55 8.46 8.03 1fvhA1 SER 297 HA -0.04 0.05 0.40 -0.75 4.49 4.14 1fvhA1 SER 297 HB2 -0.04 0.01 0.09 -0.04 3.95 3.97 1fvhA1 SER 297 HB3 -0.04 0.02 0.07 -0.04 3.93 3.93 1fvhA1 GLN 298 H -0.04 0.13 -0.37 -0.55 8.47 7.64 1fvhA1 GLN 298 HA -0.02 0.03 0.34 -0.75 4.36 3.96 1fvhA1 GLN 298 HB2 -0.02 0.02 0.11 -0.04 2.15 2.22 1fvhA1 GLN 298 HB3 -0.02 0.13 0.11 -0.04 2.02 2.20 1fvhA1 GLN 298 HG2 -0.01 0.02 -0.31 -0.04 2.40 2.06 1fvhA1 GLN 298 HG3 -0.01 -0.03 0.00 -0.04 2.39 2.32 1fvhA1 GLN 298 HE21 0.00 -0.00 -0.01 -0.04 6.97 6.92 1fvhA1 GLN 298 HE22 -0.00 0.00 -0.05 -0.04 7.69 7.60 1fvhA1 ASN 299 H -0.04 0.59 -0.10 -0.55 8.53 8.43 1fvhA1 ASN 299 HA -0.00 0.05 0.61 -0.75 4.76 4.67 1fvhA1 ASN 299 HB2 -0.04 0.06 0.10 -0.04 2.88 2.96 1fvhA1 ASN 299 HB3 -0.00 -0.02 0.06 -0.04 2.79 2.78 1fvhA1 ASN 299 HD21 -0.00 -0.03 0.00 -0.04 7.03 6.95 1fvhA1 ASN 299 HD22 -0.02 -0.01 -0.01 -0.04 7.74 7.66 1fvhA1 VAL 300 H -0.01 0.62 -0.08 -0.55 8.24 8.23 1fvhA1 VAL 300 HA 0.12 0.07 0.49 -0.75 4.13 4.06 1fvhA1 VAL 300 HB 0.06 -0.00 0.01 -0.04 2.12 2.15 1fvhA1 VAL 300 HG13 0.04 0.04 0.10 -0.04 0.97 1.11 1fvhA1 VAL 300 HG23 0.27 -0.01 -0.12 -0.04 0.95 1.05 1fvhA1 THR 301 H 0.02 0.59 -0.02 -0.55 8.28 8.31 1fvhA1 THR 301 HA -0.03 0.03 0.47 -0.75 4.39 4.10 1fvhA1 THR 301 HB -0.02 0.00 -0.04 -0.04 4.32 4.23 1fvhA1 THR 301 HG23 -0.01 -0.01 0.02 -0.04 1.22 1.18 1fvhA1 LYS 302 H 0.00 0.35 -0.26 -0.55 8.42 7.96 1fvhA1 LYS 302 HA -0.01 0.04 0.47 -0.75 4.32 4.07 1fvhA1 LYS 302 HB2 0.01 0.06 0.16 -0.04 1.87 2.07 1fvhA1 LYS 302 HB3 0.01 -0.02 0.05 -0.04 1.79 1.78 1fvhA1 LYS 302 HG2 -0.00 0.44 0.16 -0.04 1.46 2.02 1fvhA1 LYS 302 HG3 -0.00 -0.06 -0.01 -0.04 1.46 1.35 1fvhA1 LYS 302 HD2 -0.00 -0.01 0.03 -0.04 1.69 1.67 1fvhA1 LYS 302 HD3 -0.01 -0.05 0.00 -0.04 1.68 1.59 1fvhA1 LYS 302 HE2 -0.01 -0.02 -0.01 -0.04 2.99 2.91 1fvhA1 LYS 302 HE3 -0.01 0.01 0.01 -0.04 2.99 2.96 1fvhA1 LYS 303 H 0.04 0.30 -0.57 -0.55 8.42 7.63 1fvhA1 LYS 303 HA 0.06 0.08 0.54 -0.75 4.32 4.25 1fvhA1 LYS 303 HB2 0.10 0.09 0.13 -0.04 1.87 2.15 1fvhA1 LYS 303 HB3 0.20 0.11 0.17 -0.04 1.79 2.23 1fvhA1 LYS 303 HG2 0.34 -0.06 -0.02 -0.04 1.46 1.68 1fvhA1 LYS 303 HG3 0.21 -0.04 0.11 -0.04 1.46 1.70 1fvhA1 LYS 303 HD2 0.10 -0.01 -0.00 -0.04 1.69 1.74 1fvhA1 LYS 303 HD3 0.13 -0.01 0.00 -0.04 1.68 1.75 1fvhA1 LYS 303 HE2 0.08 -0.01 0.01 -0.04 2.99 3.04 1fvhA1 LYS 303 HE3 0.06 0.02 -0.01 -0.04 2.99 3.02 1fvhA1 LEU 304 H -0.09 0.20 -0.28 -0.55 8.37 7.66 1fvhA1 LEU 304 HA -0.91 0.06 0.59 -0.75 4.35 3.34 1fvhA1 LEU 304 HB2 -0.53 -0.01 0.10 -0.04 1.64 1.15 1fvhA1 LEU 304 HB3 -0.19 0.10 0.24 -0.04 1.64 1.74 1fvhA1 LEU 304 HG -0.21 0.00 -0.25 -0.04 1.64 1.14 1fvhA1 LEU 304 HD13 -0.61 -0.02 0.09 -0.04 0.93 0.34 1fvhA1 LEU 304 HD23 -0.13 -0.01 -0.02 -0.04 0.89 0.70 1fvhA1 LYS 305 H -0.07 0.57 -0.12 -0.55 8.42 8.24 1fvhA1 LYS 305 HA -0.04 -0.01 0.41 -0.75 4.32 3.92 1fvhA1 LYS 305 HB2 -0.03 -0.02 0.12 -0.04 1.87 1.89 1fvhA1 LYS 305 HB3 -0.02 0.17 0.17 -0.04 1.79 2.07 1fvhA1 LYS 305 HG2 -0.01 -0.01 -0.01 -0.04 1.46 1.39 1fvhA1 LYS 305 HG3 -0.01 0.04 -0.26 -0.04 1.46 1.19 1fvhA1 LYS 305 HD2 -0.02 -0.08 0.14 -0.04 1.69 1.69 1fvhA1 LYS 305 HD3 -0.02 -0.01 0.02 -0.04 1.68 1.63 1fvhA1 LYS 305 HE2 -0.01 0.01 -0.02 -0.04 2.99 2.92 1fvhA1 LYS 305 HE3 -0.01 0.03 -0.05 -0.04 2.99 2.92 1fvhA1 GLN 306 H 0.00 0.25 -0.53 -0.55 8.47 7.64 1fvhA1 GLN 306 HA 0.00 0.11 0.57 -0.75 4.36 4.28 1fvhA1 GLN 306 HB2 0.02 -0.01 0.09 -0.04 2.15 2.20 1fvhA1 GLN 306 HB3 0.02 0.04 0.05 -0.04 2.02 2.09 1fvhA1 GLN 306 HG2 0.07 0.06 0.07 -0.04 2.40 2.55 1fvhA1 GLN 306 HG3 0.09 0.02 -0.29 -0.04 2.39 2.17 1fvhA1 GLN 306 HE21 0.05 -0.02 -0.01 -0.04 6.97 6.94 1fvhA1 GLN 306 HE22 0.07 0.01 -0.05 -0.04 7.69 7.68 1fvhA1 PHE 307 H 0.09 0.29 -0.52 -0.55 8.34 7.65 1fvhA1 PHE 307 HA 0.00 0.14 0.64 -0.75 4.62 4.65 1fvhA1 PHE 307 HB2 0.03 0.06 0.12 -0.04 3.15 3.31 1fvhA1 PHE 307 HB3 -0.22 0.12 0.25 -0.04 3.06 3.17 1fvhA1 PHE 307 HD2 0.06 0.02 -0.20 -0.04 7.28 7.12 1fvhA1 PHE 307 HE2 -0.02 0.02 -0.04 -0.04 7.38 7.30 1fvhA1 PHE 307 HZ 0.38 -0.03 -0.00 -0.04 7.32 7.63 1fvhA1 ALA 308 H 0.15 0.46 0.08 -0.55 8.40 8.55 1fvhA1 ALA 308 HA 0.06 0.08 0.39 -0.75 4.34 4.12 1fvhA1 ALA 308 HB3 0.02 0.01 0.07 -0.04 1.41 1.47 1fvhA1 ASP 309 H -0.01 0.37 -0.33 -0.55 8.40 7.87 1fvhA1 ASP 309 HA -0.03 -0.00 0.28 -0.75 4.63 4.12 1fvhA1 ASP 309 HB2 -0.02 -0.07 0.11 -0.04 2.71 2.69 1fvhA1 ASP 309 HB3 -0.02 0.32 0.18 -0.04 2.70 3.14 1fvhA1 GLU 310 H -0.12 0.27 -1.32 -0.55 8.60 6.88 1fvhA1 GLU 310 HA -0.07 0.14 0.80 -0.75 4.29 4.41 1fvhA1 GLU 310 HB2 -0.26 0.24 0.13 -0.04 2.09 2.16 1fvhA1 GLU 310 HB3 -0.13 -0.09 0.20 -0.04 1.99 1.93 1fvhA1 GLU 310 HG2 -0.06 -0.04 -0.13 -0.04 2.34 2.07 1fvhA1 GLU 310 HG3 -0.08 0.26 -0.11 -0.04 2.34 2.37 1fvhA1 LYS 311 H -0.08 0.23 -0.44 -0.55 8.42 7.57 1fvhA1 LYS 311 HA -0.06 -0.02 0.32 -0.75 4.32 3.80 1fvhA1 LYS 311 HB2 -0.10 -0.09 0.03 -0.04 1.87 1.68 1fvhA1 LYS 311 HB3 -0.07 0.13 0.43 -0.04 1.79 2.23 1fvhA1 LYS 311 HG2 -0.27 -0.12 -0.72 -0.04 1.46 0.31 1fvhA1 LYS 311 HG3 -0.42 0.01 -0.04 -0.04 1.46 0.97 1fvhA1 LYS 311 HD2 -0.18 -0.08 -0.00 -0.04 1.69 1.38 1fvhA1 LYS 311 HD3 -0.11 0.18 0.10 -0.04 1.68 1.80 1fvhA1 LYS 311 HE2 -0.58 0.13 -0.05 -0.04 2.99 2.45 1fvhA1 LYS 311 HE3 -0.82 -0.08 -0.06 -0.04 2.99 1.99 1fvhA1 ARG 312 H -0.15 0.24 0.07 -0.55 8.46 8.08 1fvhA1 ARG 312 HA -0.05 0.00 0.16 -0.75 4.34 3.69 1fvhA1 ARG 312 HB2 -0.04 0.45 0.67 -0.04 1.90 2.95 1fvhA1 ARG 312 HB3 -0.03 -0.18 -0.05 -0.04 1.80 1.51 1fvhA1 ARG 312 HG2 -0.04 0.04 -0.36 -0.04 1.67 1.28 1fvhA1 ARG 312 HG3 -0.02 -0.05 -0.03 -0.04 1.67 1.53 1fvhA1 ARG 312 HD2 -0.02 -0.07 -0.04 -0.04 3.22 3.05 1fvhA1 ARG 312 HD3 -0.03 -0.02 -0.11 -0.04 3.22 3.02 1fvhA1 GLY 321 HA2 -0.00 -0.08 0.22 -0.51 4.01 3.63 1fvhA1 GLY 321 HA3 -0.00 -0.02 0.14 -0.51 4.01 3.61 1fvhA1 ILE 322 H -0.00 0.12 0.10 -0.55 8.25 7.91 1fvhA1 ILE 322 HA -0.00 0.19 0.98 -0.75 4.18 4.59 1fvhA1 ILE 322 HB -0.00 -0.03 0.11 -0.04 1.89 1.93 1fvhA1 ILE 322 HG12 -0.00 -0.02 -0.02 -0.04 1.49 1.40 1fvhA1 ILE 322 HG13 -0.00 0.06 -0.07 -0.04 1.21 1.16 1fvhA1 ILE 322 HG23 -0.00 -0.02 -0.25 -0.04 0.93 0.61 1fvhA1 ILE 322 HD13 -0.00 -0.02 -0.11 -0.04 0.88 0.70 1fvhA1 LYS 323 H -0.00 0.20 0.15 -0.55 8.42 8.21 1fvhA1 LYS 323 HA -0.00 0.11 0.70 -0.75 4.32 4.37 1fvhA1 LYS 323 HB2 -0.00 0.06 0.08 -0.04 1.87 1.97 1fvhA1 LYS 323 HB3 -0.00 -0.00 0.10 -0.04 1.79 1.84 1fvhA1 LYS 323 HG2 -0.01 -0.07 -0.42 -0.04 1.46 0.92 1fvhA1 LYS 323 HG3 -0.01 0.03 0.47 -0.04 1.46 1.91 1fvhA1 LYS 323 HD2 -0.01 0.03 0.03 -0.04 1.69 1.70 1fvhA1 LYS 323 HD3 -0.00 -0.00 -0.02 -0.04 1.68 1.61 1fvhA1 LYS 323 HE2 -0.01 -0.05 -0.08 -0.04 2.99 2.81 1fvhA1 LYS 323 HE3 -0.01 0.02 -0.01 -0.04 2.99 2.95 1fvhA1 ASP 324 H -0.01 0.23 -0.06 -0.55 8.40 8.01 1fvhA1 ASP 324 HA -0.00 0.18 0.95 -0.75 4.63 5.01 1fvhA1 ASP 324 HB2 -0.00 0.10 -0.01 -0.04 2.71 2.76 1fvhA1 ASP 324 HB3 -0.00 0.05 0.21 -0.04 2.70 2.92 1fvhA1 LEU 325 H -0.00 0.27 0.07 -0.55 8.37 8.16 1fvhA1 LEU 325 HA -0.00 0.15 0.54 -0.75 4.35 4.28 1fvhA1 LEU 325 HB2 0.00 0.04 0.07 -0.04 1.64 1.71 1fvhA1 LEU 325 HB3 0.00 -0.00 0.17 -0.04 1.64 1.76 1fvhA1 LEU 325 HG -0.00 0.02 -0.04 -0.04 1.64 1.58 1fvhA1 LEU 325 HD13 -0.00 -0.01 -0.26 -0.04 0.93 0.61 1fvhA1 LEU 325 HD23 -0.00 0.02 -0.01 -0.04 0.89 0.86 1fvhA1 SER 326 H -0.00 0.11 -0.44 -0.55 8.46 7.58 1fvhA1 SER 326 HA 0.00 0.11 0.42 -0.75 4.49 4.27 1fvhA1 SER 326 HB2 0.00 -0.02 0.10 -0.04 3.95 3.99 1fvhA1 SER 326 HB3 0.00 0.06 -0.02 -0.04 3.93 3.94 1fvhA1 GLN 327 H -0.00 0.19 -0.01 -0.55 8.47 8.10 1fvhA1 GLN 327 HA 0.00 0.04 0.37 -0.75 4.36 4.01 1fvhA1 GLN 327 HB2 -0.01 0.01 0.13 -0.04 2.15 2.24 1fvhA1 GLN 327 HB3 -0.02 0.03 0.00 -0.04 2.02 2.00 1fvhA1 GLN 327 HG2 -0.01 0.10 0.09 -0.04 2.40 2.54 1fvhA1 GLN 327 HG3 -0.00 0.04 0.08 -0.04 2.39 2.47 1fvhA1 GLN 327 HE21 0.00 -0.00 -0.02 -0.04 6.97 6.91 1fvhA1 GLN 327 HE22 0.01 0.05 0.02 -0.04 7.69 7.72 1fvhA1 MET 328 H -0.00 0.05 -0.62 -0.55 8.47 7.35 1fvhA1 MET 328 HA -0.01 0.09 0.28 -0.75 4.52 4.13 1fvhA1 MET 328 HB2 -0.01 -0.07 0.04 -0.04 2.15 2.07 1fvhA1 MET 328 HB3 0.00 0.09 0.09 -0.04 2.03 2.17 1fvhA1 MET 328 HG2 0.00 0.02 -0.11 -0.04 2.63 2.50 1fvhA1 MET 328 HG3 -0.01 0.02 -0.02 -0.04 2.56 2.52 1fvhA1 MET 328 HE3 -0.02 -0.00 -0.03 -0.04 2.10 2.02 1fvhA1 LEU 329 H 0.01 0.36 -0.01 -0.55 8.37 8.18 1fvhA1 LEU 329 HA 0.02 -0.02 0.36 -0.75 4.35 3.95 1fvhA1 LEU 329 HB2 0.01 0.01 0.18 -0.04 1.64 1.80 1fvhA1 LEU 329 HB3 0.01 0.06 0.14 -0.04 1.64 1.82 1fvhA1 LEU 329 HG 0.01 -0.03 0.05 -0.04 1.64 1.64 1fvhA1 LEU 329 HD13 0.01 -0.02 0.00 -0.04 0.93 0.88 1fvhA1 LEU 329 HD23 0.02 -0.00 -0.07 -0.04 0.89 0.79 1fvhA1 LYS 330 H 0.02 0.50 -0.27 -0.55 8.42 8.12 1fvhA1 LYS 330 HA 0.03 -0.00 0.39 -0.75 4.32 3.98 1fvhA1 LYS 330 HB2 0.02 0.04 0.20 -0.04 1.87 2.08 1fvhA1 LYS 330 HB3 0.03 -0.01 0.10 -0.04 1.79 1.87 1fvhA1 LYS 330 HG2 0.01 -0.00 -0.03 -0.04 1.46 1.41 1fvhA1 LYS 330 HG3 0.01 -0.09 -0.13 -0.04 1.46 1.21 1fvhA1 LYS 330 HD2 0.02 0.01 -0.01 -0.04 1.69 1.67 1fvhA1 LYS 330 HD3 0.02 0.01 -0.00 -0.04 1.68 1.67 1fvhA1 LYS 330 HE2 0.01 -0.01 -0.03 -0.04 2.99 2.92 1fvhA1 LYS 330 HE3 0.01 -0.03 -0.04 -0.04 2.99 2.90 1fvhA1 LYS 331 H 0.04 0.23 0.09 -0.55 8.42 8.22 1fvhA1 LYS 331 HA 0.13 0.01 0.45 -0.75 4.32 4.15 1fvhA1 LYS 331 HB2 0.03 0.03 0.13 -0.04 1.87 2.02 1fvhA1 LYS 331 HB3 0.19 -0.01 0.19 -0.04 1.79 2.11 1fvhA1 LYS 331 HG2 0.13 0.00 0.02 -0.04 1.46 1.56 1fvhA1 LYS 331 HG3 0.06 -0.06 0.04 -0.04 1.46 1.46 1fvhA1 LYS 331 HD2 0.09 0.02 0.01 -0.04 1.69 1.77 1fvhA1 LYS 331 HD3 0.08 -0.00 0.01 -0.04 1.68 1.73 1fvhA1 LYS 331 HE2 0.01 0.03 0.01 -0.04 2.99 3.00 1fvhA1 LYS 331 HE3 0.02 -0.04 0.02 -0.04 2.99 2.95 1fvhA1 MET 332 H 0.08 0.65 -0.22 -0.55 8.47 8.43 1fvhA1 MET 332 HA 0.12 0.18 0.97 -0.75 4.52 5.04 1fvhA1 MET 332 HB2 0.04 0.54 0.01 -0.04 2.15 2.70 1fvhA1 MET 332 HB3 0.05 0.06 0.13 -0.04 2.03 2.23 1fvhA1 MET 332 HG2 0.05 -0.10 -0.18 -0.04 2.63 2.37 1fvhA1 MET 332 HG3 0.04 -0.05 0.00 -0.04 2.56 2.52 1fvhA1 MET 332 HE3 0.00 -0.01 -0.06 -0.04 2.10 2.00 1fvhA1 PRO 333 HA 0.06 0.02 0.46 -0.51 4.44 4.47 1fvhA1 PRO 333 HB2 0.04 0.05 0.05 -0.04 2.28 2.38 1fvhA1 PRO 333 HB3 0.03 0.01 0.16 -0.04 2.02 2.18 1fvhA1 PRO 333 HG2 0.03 0.08 0.17 -0.04 2.03 2.27 1fvhA1 PRO 333 HG3 0.04 -0.01 0.15 -0.04 2.03 2.17 1fvhA1 PRO 333 HD2 0.06 0.32 0.37 -0.04 3.68 4.39 1fvhA1 PRO 333 HD3 0.05 0.27 0.31 -0.04 3.65 4.24 1fvhA1 GLN 334 H 0.15 0.09 -0.87 -0.55 8.47 7.29 1fvhA1 GLN 334 HA -0.01 0.09 0.44 -0.75 4.36 4.12 1fvhA1 GLN 334 HB2 0.09 -0.01 -0.02 -0.04 2.15 2.18 1fvhA1 GLN 334 HB3 0.34 0.12 -0.19 -0.04 2.02 2.25 1fvhA1 GLN 334 HG2 -0.45 0.02 -0.07 -0.04 2.40 1.86 1fvhA1 GLN 334 HG3 -0.10 -0.01 0.06 -0.04 2.39 2.30 1fvhA1 GLN 334 HE21 0.03 -0.01 -0.01 -0.04 6.97 6.95 1fvhA1 GLN 334 HE22 -0.01 -0.01 0.00 -0.04 7.69 7.63 1fvhA1 TYR 335 H 0.30 0.74 -0.17 -0.55 8.29 8.61 1fvhA1 TYR 335 HA 0.08 0.22 0.98 -0.75 4.56 5.09 1fvhA1 TYR 335 HB2 0.14 0.13 0.09 -0.04 3.06 3.39 1fvhA1 TYR 335 HB3 0.23 -0.16 0.19 -0.04 2.98 3.20 1fvhA1 TYR 335 HD2 0.26 -0.07 -0.11 -0.04 7.15 7.19 1fvhA1 TYR 335 HE2 0.00 -0.02 -0.02 -0.04 6.85 6.77 1fvhA1 GLN 336 H 0.10 0.34 -0.12 -0.55 8.47 8.24 1fvhA1 GLN 336 HA 0.06 0.02 0.33 -0.75 4.36 4.02 1fvhA1 GLN 336 HB2 0.03 0.08 0.08 -0.04 2.15 2.30 1fvhA1 GLN 336 HB3 0.02 -0.00 -0.01 -0.04 2.02 1.99 1fvhA1 GLN 336 HG2 0.05 -0.00 0.12 -0.04 2.40 2.53 1fvhA1 GLN 336 HG3 0.03 0.02 0.06 -0.04 2.39 2.45 1fvhA1 GLN 336 HE21 0.03 -0.00 -0.03 -0.04 6.97 6.92 1fvhA1 GLN 336 HE22 0.02 -0.00 0.03 -0.04 7.69 7.70 1fvhA1 LYS 337 H 0.03 0.14 -0.55 -0.55 8.42 7.49 1fvhA1 LYS 337 HA -0.01 0.07 0.38 -0.75 4.32 4.01 1fvhA1 LYS 337 HB2 -0.01 0.02 0.03 -0.04 1.87 1.87 1fvhA1 LYS 337 HB3 0.01 0.05 -0.05 -0.04 1.79 1.75 1fvhA1 LYS 337 HG2 -0.02 -0.00 0.06 -0.04 1.46 1.46 1fvhA1 LYS 337 HG3 -0.02 -0.01 0.06 -0.04 1.46 1.46 1fvhA1 LYS 337 HD2 -0.02 0.02 0.01 -0.04 1.69 1.65 1fvhA1 LYS 337 HD3 -0.03 0.02 0.01 -0.04 1.68 1.64 1fvhA1 LYS 337 HE2 -0.02 -0.01 0.02 -0.04 2.99 2.93 1fvhA1 LYS 337 HE3 -0.02 -0.01 0.02 -0.04 2.99 2.94 1fvhA1 GLU 338 H 0.08 0.75 -0.10 -0.55 8.60 8.79 1fvhA1 GLU 338 HA -0.01 0.17 0.97 -0.75 4.29 4.67 1fvhA1 GLU 338 HB2 0.21 0.06 0.11 -0.04 2.09 2.42 1fvhA1 GLU 338 HB3 0.18 -0.01 0.10 -0.04 1.99 2.22 1fvhA1 GLU 338 HG2 0.10 0.03 -0.13 -0.04 2.34 2.29 1fvhA1 GLU 338 HG3 0.14 -0.05 0.03 -0.04 2.34 2.42 1fvhA1 LEU 339 H 0.03 0.60 0.14 -0.55 8.37 8.59 1fvhA1 LEU 339 HA -0.03 0.03 0.42 -0.75 4.35 4.02 1fvhA1 LEU 339 HB2 0.01 0.05 -0.03 -0.04 1.64 1.63 1fvhA1 LEU 339 HB3 -0.03 -0.03 0.08 -0.04 1.64 1.61 1fvhA1 LEU 339 HG 0.08 0.10 -0.04 -0.04 1.64 1.74 1fvhA1 LEU 339 HD13 0.04 0.02 -0.05 -0.04 0.93 0.90 1fvhA1 LEU 339 HD23 -0.32 0.00 -0.01 -0.04 0.89 0.53 1fvhA1 SER 340 H -0.02 0.19 -0.74 -0.55 8.46 7.35 1fvhA1 SER 340 HA -0.01 0.03 0.44 -0.75 4.49 4.20 1fvhA1 SER 340 HB2 -0.06 -0.05 -0.01 -0.04 3.95 3.79 1fvhA1 SER 340 HB3 -0.03 0.18 0.09 -0.04 3.93 4.13 1fvhA1 LYS 341 H -0.13 0.41 -0.20 -0.55 8.42 7.95 1fvhA1 LYS 341 HA -0.26 0.02 0.38 -0.75 4.32 3.71 1fvhA1 LYS 341 HB2 -0.63 -0.01 0.23 -0.04 1.87 1.41 1fvhA1 LYS 341 HB3 -0.46 -0.09 0.07 -0.04 1.79 1.26 1fvhA1 LYS 341 HG2 -0.16 0.11 0.27 -0.04 1.46 1.63 1fvhA1 LYS 341 HG3 -0.21 0.02 0.17 -0.04 1.46 1.40 1fvhA1 LYS 341 HD2 -0.18 -0.11 0.13 -0.04 1.69 1.49 1fvhA1 LYS 341 HD3 -0.15 -0.03 0.09 -0.04 1.68 1.55 1fvhA1 LYS 341 HE2 -0.06 -0.04 0.11 -0.04 2.99 2.95 1fvhA1 LYS 341 HE3 -0.06 0.08 0.14 -0.04 2.99 3.11 1fvhA1 TYR 342 H -0.46 0.26 -0.10 -0.55 8.29 7.44 1fvhA1 TYR 342 HA 0.02 -0.03 0.28 -0.75 4.56 4.08 1fvhA1 TYR 342 HB2 -0.08 0.15 0.05 -0.04 3.06 3.14 1fvhA1 TYR 342 HB3 -0.02 -0.03 -0.04 -0.04 2.98 2.86 1fvhA1 TYR 342 HD2 -0.12 0.01 0.03 -0.04 7.15 7.02 1fvhA1 TYR 342 HE2 -0.34 0.02 -0.11 -0.04 6.85 6.37 1fvhA1 SER 343 H 0.09 0.35 -0.42 -0.55 8.46 7.94 1fvhA1 SER 343 HA 0.12 -0.02 0.33 -0.75 4.49 4.17 1fvhA1 SER 343 HB2 0.04 0.13 0.22 -0.04 3.95 4.30 1fvhA1 SER 343 HB3 0.12 -0.05 0.06 -0.04 3.93 4.02 1fvhA1 THR 344 H 0.02 0.61 0.04 -0.55 8.28 8.40 1fvhA1 THR 344 HA 0.20 0.05 0.42 -0.75 4.39 4.30 1fvhA1 THR 344 HB 0.11 -0.07 -0.00 -0.04 4.32 4.31 1fvhA1 THR 344 HG23 -0.10 0.04 0.07 -0.04 1.22 1.19 1fvhA1 HIS 345 H 0.08 0.54 -0.17 -0.55 8.41 8.32 1fvhA1 HIS 345 HA 0.23 -0.02 0.44 -0.75 4.63 4.53 1fvhA1 HIS 345 HB2 0.14 0.16 0.05 -0.04 3.26 3.57 1fvhA1 HIS 345 HB3 0.23 -0.07 -0.04 -0.04 3.20 3.27 1fvhA1 HIS 345 HD2 0.11 0.04 -0.16 -0.04 6.97 6.91 1fvhA1 HIS 345 HE1 0.11 -0.01 -0.03 -0.04 7.75 7.77 1fvhA1 LEU 346 H 0.21 0.69 -0.23 -0.55 8.37 8.50 1fvhA1 LEU 346 HA 0.10 -0.05 0.57 -0.75 4.35 4.22 1fvhA1 LEU 346 HB2 0.09 0.32 0.20 -0.04 1.64 2.20 1fvhA1 LEU 346 HB3 -0.00 -0.07 0.03 -0.04 1.64 1.55 1fvhA1 LEU 346 HG 0.12 0.05 -0.04 -0.04 1.64 1.74 1fvhA1 LEU 346 HD13 0.04 -0.01 -0.08 -0.04 0.93 0.84 1fvhA1 LEU 346 HD23 0.03 -0.03 0.05 -0.04 0.89 0.89 1fvhA1 HIS 347 H 0.29 0.40 -0.15 -0.55 8.41 8.41 1fvhA1 HIS 347 HA 0.13 0.02 0.54 -0.75 4.63 4.56 1fvhA1 HIS 347 HB2 0.19 0.07 0.22 -0.04 3.26 3.71 1fvhA1 HIS 347 HB3 0.25 0.06 0.00 -0.04 3.20 3.47 1fvhA1 HIS 347 HD2 0.07 0.05 -0.17 -0.04 6.97 6.87 1fvhA1 HIS 347 HE1 0.06 -0.03 -0.00 -0.04 7.75 7.73 1fvhA1 LEU 348 H 0.29 0.38 -0.22 -0.55 8.37 8.28 1fvhA1 LEU 348 HA -0.12 0.07 0.46 -0.75 4.35 4.01 1fvhA1 LEU 348 HB2 0.04 0.16 0.07 -0.04 1.64 1.87 1fvhA1 LEU 348 HB3 0.37 0.04 0.10 -0.04 1.64 2.11 1fvhA1 LEU 348 HG -0.37 -0.05 -0.13 -0.04 1.64 1.06 1fvhA1 LEU 348 HD13 -1.25 0.00 -0.05 -0.04 0.93 -0.41 1fvhA1 LEU 348 HD23 -0.43 -0.01 -0.10 -0.04 0.89 0.31 1fvhA1 ALA 349 H 0.25 0.57 -0.11 -0.55 8.40 8.57 1fvhA1 ALA 349 HA 0.20 -0.01 0.34 -0.75 4.34 4.12 1fvhA1 ALA 349 HB3 -0.04 0.02 0.09 -0.04 1.41 1.45 1fvhA1 GLU 350 H 0.09 0.45 -0.39 -0.55 8.60 8.20 1fvhA1 GLU 350 HA 0.04 -0.02 0.37 -0.75 4.29 3.93 1fvhA1 GLU 350 HB2 0.08 0.11 0.19 -0.04 2.09 2.43 1fvhA1 GLU 350 HB3 0.05 -0.04 -0.00 -0.04 1.99 1.95 1fvhA1 GLU 350 HG2 -0.01 -0.10 0.05 -0.04 2.34 2.24 1fvhA1 GLU 350 HG3 -0.03 0.50 0.19 -0.04 2.34 2.96 1fvhA1 ASP 351 H 0.15 0.65 -0.12 -0.55 8.40 8.53 1fvhA1 ASP 351 HA 0.11 -0.03 0.38 -0.75 4.63 4.34 1fvhA1 ASP 351 HB2 0.14 0.13 0.21 -0.04 2.71 3.16 1fvhA1 ASP 351 HB3 0.13 -0.04 -0.01 -0.04 2.70 2.74 1fvhA1 CYS 352 H 0.11 0.53 -0.35 -0.55 8.50 8.24 1fvhA1 CYS 352 HA 0.10 0.04 0.38 -0.75 4.58 4.35 1fvhA1 CYS 352 HB2 0.13 0.13 0.11 -0.04 2.97 3.30 1fvhA1 CYS 352 HB3 0.11 -0.09 -0.06 -0.04 2.97 2.89 1fvhA1 MET 353 H 0.07 0.57 -0.06 -0.55 8.47 8.51 1fvhA1 MET 353 HA 0.08 -0.05 0.54 -0.75 4.52 4.35 1fvhA1 MET 353 HB2 0.04 0.15 0.19 -0.04 2.15 2.49 1fvhA1 MET 353 HB3 0.04 -0.05 0.01 -0.04 2.03 1.98 1fvhA1 MET 353 HG2 -0.01 0.14 0.04 -0.04 2.63 2.75 1fvhA1 MET 353 HG3 -0.02 -0.02 -0.01 -0.04 2.56 2.46 1fvhA1 MET 353 HE3 -0.13 0.00 -0.00 -0.04 2.10 1.92 1fvhA1 LYS 354 H 0.08 0.79 0.03 -0.55 8.42 8.77 1fvhA1 LYS 354 HA 0.07 -0.01 0.38 -0.75 4.32 4.00 1fvhA1 LYS 354 HB2 0.06 -0.03 0.06 -0.04 1.87 1.92 1fvhA1 LYS 354 HB3 0.08 0.11 0.16 -0.04 1.79 2.10 1fvhA1 LYS 354 HG2 0.05 -0.02 -0.01 -0.04 1.46 1.44 1fvhA1 LYS 354 HG3 0.05 0.04 -0.14 -0.04 1.46 1.37 1fvhA1 LYS 354 HD2 0.02 -0.00 -0.07 -0.04 1.69 1.60 1fvhA1 LYS 354 HD3 0.04 -0.04 -0.06 -0.04 1.68 1.59 1fvhA1 LYS 354 HE2 0.03 -0.02 0.03 -0.04 2.99 2.99 1fvhA1 LYS 354 HE3 0.04 -0.00 0.03 -0.04 2.99 3.01 1fvhA1 GLN 355 H 0.11 0.55 -0.19 -0.55 8.47 8.39 1fvhA1 GLN 355 HA 0.07 0.01 0.39 -0.75 4.36 4.08 1fvhA1 GLN 355 HB2 0.11 0.20 0.17 -0.04 2.15 2.59 1fvhA1 GLN 355 HB3 0.16 0.04 0.10 -0.04 2.02 2.27 1fvhA1 GLN 355 HG2 0.16 0.04 0.08 -0.04 2.40 2.65 1fvhA1 GLN 355 HG3 0.27 -0.13 0.07 -0.04 2.39 2.56 1fvhA1 GLN 355 HE21 0.03 -0.05 0.08 -0.04 6.97 6.99 1fvhA1 GLN 355 HE22 0.12 0.00 0.12 -0.04 7.69 7.89 1fvhA1 TYR 356 H 0.24 0.52 -0.13 -0.55 8.29 8.36 1fvhA1 TYR 356 HA 0.05 -0.11 0.46 -0.75 4.56 4.21 1fvhA1 TYR 356 HB2 0.04 0.10 0.17 -0.04 3.06 3.32 1fvhA1 TYR 356 HB3 0.04 0.07 0.29 -0.04 2.98 3.34 1fvhA1 TYR 356 HD2 0.02 0.07 -0.10 -0.04 7.15 7.10 1fvhA1 TYR 356 HE2 0.02 0.03 -0.05 -0.04 6.85 6.81 1fvhA1 GLN 357 H 0.31 0.62 0.06 -0.55 8.47 8.91 1fvhA1 GLN 357 HA 0.14 -0.08 0.35 -0.75 4.36 4.02 1fvhA1 GLN 357 HB2 0.11 0.15 0.11 -0.04 2.15 2.48 1fvhA1 GLN 357 HB3 0.09 -0.02 0.02 -0.04 2.02 2.07 1fvhA1 GLN 357 HG2 0.22 0.05 0.10 -0.04 2.40 2.73 1fvhA1 GLN 357 HG3 0.11 -0.02 0.01 -0.04 2.39 2.45 1fvhA1 GLN 357 HE21 0.19 -0.02 0.00 -0.04 6.97 7.09 1fvhA1 GLN 357 HE22 0.11 -0.01 0.01 -0.04 7.69 7.76 1fvhA1 GLN 358 H 0.08 0.39 -0.42 -0.55 8.47 7.98 1fvhA1 GLN 358 HA 0.01 -0.01 0.41 -0.75 4.36 4.02 1fvhA1 GLN 358 HB2 0.00 0.21 0.20 -0.04 2.15 2.53 1fvhA1 GLN 358 HB3 -0.08 -0.01 0.21 -0.04 2.02 2.11 1fvhA1 GLN 358 HG2 -0.15 -0.02 -0.02 -0.04 2.40 2.17 1fvhA1 GLN 358 HG3 -0.05 -0.04 0.07 -0.04 2.39 2.33 1fvhA1 GLN 358 HE21 -0.14 -0.02 0.02 -0.04 6.97 6.79 1fvhA1 GLN 358 HE22 -0.22 0.01 0.01 -0.04 7.69 7.45 1fvhA1 HIS 359 H 0.29 0.19 0.14 -0.55 8.41 8.49 1fvhA1 HIS 359 HA -0.09 0.18 0.84 -0.75 4.63 4.81 1fvhA1 HIS 359 HB2 -0.07 -0.05 0.07 -0.04 3.26 3.17 1fvhA1 HIS 359 HB3 -0.04 0.09 -0.16 -0.04 3.20 3.04 1fvhA1 HIS 359 HD2 -0.02 -0.04 0.04 -0.04 6.97 6.90 1fvhA1 HIS 359 HE1 0.02 0.02 0.06 -0.04 7.75 7.80 1fvhA1 VAL 360 H -0.02 0.28 0.31 -0.55 8.24 8.26 1fvhA1 VAL 360 HA -0.52 0.02 0.43 -0.75 4.13 3.31 1fvhA1 VAL 360 HB -0.30 -0.01 0.22 -0.04 2.12 1.99 1fvhA1 VAL 360 HG13 -0.27 -0.01 -0.10 -0.04 0.97 0.54 1fvhA1 VAL 360 HG23 -0.23 0.03 0.03 -0.04 0.95 0.74 1fvhA1 ASP 361 H -0.78 0.47 -0.07 -0.55 8.40 7.47 1fvhA1 ASP 361 HA -0.61 -0.01 0.36 -0.75 4.63 3.61 1fvhA1 ASP 361 HB2 -0.11 -0.01 -0.01 -0.04 2.71 2.54 1fvhA1 ASP 361 HB3 -0.64 0.02 0.02 -0.04 2.70 2.05 1fvhA1 LYS 362 H -0.17 0.23 -0.22 -0.55 8.42 7.70 1fvhA1 LYS 362 HA -0.06 -0.01 0.35 -0.75 4.32 3.85 1fvhA1 LYS 362 HB2 -0.09 0.17 0.05 -0.04 1.87 1.96 1fvhA1 LYS 362 HB3 -0.05 0.00 0.05 -0.04 1.79 1.76 1fvhA1 LYS 362 HG2 -0.04 -0.03 0.04 -0.04 1.46 1.38 1fvhA1 LYS 362 HG3 -0.08 -0.08 0.03 -0.04 1.46 1.29 1fvhA1 LYS 362 HD2 -0.02 0.02 0.04 -0.04 1.69 1.69 1fvhA1 LYS 362 HD3 -0.03 0.09 0.08 -0.04 1.68 1.78 1fvhA1 LYS 362 HE2 -0.02 -0.04 0.02 -0.04 2.99 2.91 1fvhA1 LYS 362 HE3 -0.01 0.02 0.04 -0.04 2.99 2.99 1fvhA1 LEU 363 H -0.21 0.32 -0.27 -0.55 8.37 7.67 1fvhA1 LEU 363 HA -0.09 0.05 0.56 -0.75 4.35 4.12 1fvhA1 LEU 363 HB2 -0.39 0.13 0.20 -0.04 1.64 1.53 1fvhA1 LEU 363 HB3 -0.22 -0.07 0.05 -0.04 1.64 1.36 1fvhA1 LEU 363 HG -0.23 0.20 0.05 -0.04 1.64 1.63 1fvhA1 LEU 363 HD13 -0.47 -0.04 -0.06 -0.04 0.93 0.32 1fvhA1 LEU 363 HD23 -0.09 -0.00 -0.02 -0.04 0.89 0.74 1fvhA1 CYS 364 H -0.15 0.63 0.04 -0.55 8.50 8.48 1fvhA1 CYS 364 HA -0.01 -0.01 0.49 -0.75 4.58 4.30 1fvhA1 CYS 364 HB2 0.01 0.16 0.22 -0.04 2.97 3.32 1fvhA1 CYS 364 HB3 0.07 -0.02 0.07 -0.04 2.97 3.04 1fvhA1 LYS 365 H -0.01 0.41 -0.09 -0.55 8.42 8.17 1fvhA1 LYS 365 HA 0.04 0.03 0.39 -0.75 4.32 4.03 1fvhA1 LYS 365 HB2 0.03 -0.04 0.04 -0.04 1.87 1.87 1fvhA1 LYS 365 HB3 0.03 -0.02 0.07 -0.04 1.79 1.84 1fvhA1 LYS 365 HG2 -0.01 0.18 0.12 -0.04 1.46 1.70 1fvhA1 LYS 365 HG3 0.01 0.02 -0.05 -0.04 1.46 1.39 1fvhA1 LYS 365 HD2 0.02 -0.04 -0.02 -0.04 1.69 1.61 1fvhA1 LYS 365 HD3 0.01 -0.05 -0.02 -0.04 1.68 1.59 1fvhA1 LYS 365 HE2 -0.02 -0.03 0.07 -0.04 2.99 2.97 1fvhA1 LYS 365 HE3 -0.00 0.04 0.03 -0.04 2.99 3.01 1fvhA1 VAL 366 H -0.00 0.33 -0.28 -0.55 8.24 7.74 1fvhA1 VAL 366 HA 0.04 0.04 0.45 -0.75 4.13 3.91 1fvhA1 VAL 366 HB -0.00 0.12 0.15 -0.04 2.12 2.35 1fvhA1 VAL 366 HG13 0.03 -0.02 -0.18 -0.04 0.97 0.76 1fvhA1 VAL 366 HG23 0.00 0.03 -0.00 -0.04 0.95 0.94 1fvhA1 GLU 367 H 0.01 0.55 -0.04 -0.55 8.60 8.57 1fvhA1 GLU 367 HA 0.00 -0.01 0.34 -0.75 4.29 3.88 1fvhA1 GLU 367 HB2 0.01 0.09 0.20 -0.04 2.09 2.35 1fvhA1 GLU 367 HB3 -0.03 -0.09 0.01 -0.04 1.99 1.84 1fvhA1 GLU 367 HG2 0.01 -0.07 0.02 -0.04 2.34 2.26 1fvhA1 GLU 367 HG3 0.00 0.57 0.15 -0.04 2.34 3.01 1fvhA1 GLN 368 H 0.04 0.80 -0.11 -0.55 8.47 8.65 1fvhA1 GLN 368 HA 0.06 -0.05 0.41 -0.75 4.36 4.03 1fvhA1 GLN 368 HB2 0.06 0.09 0.13 -0.04 2.15 2.40 1fvhA1 GLN 368 HB3 0.07 -0.01 -0.02 -0.04 2.02 2.02 1fvhA1 GLN 368 HG2 0.06 0.17 0.07 -0.04 2.40 2.66 1fvhA1 GLN 368 HG3 0.08 -0.06 -0.04 -0.04 2.39 2.33 1fvhA1 GLN 368 HE21 0.12 -0.08 -0.05 -0.04 6.97 6.91 1fvhA1 GLN 368 HE22 0.03 0.01 -0.13 -0.04 7.69 7.56 1fvhA1 ASP 369 H 0.07 0.43 -0.19 -0.55 8.40 8.15 1fvhA1 ASP 369 HA 0.10 0.18 0.37 -0.75 4.63 4.53 1fvhA1 ASP 369 HB2 0.10 0.13 0.17 -0.04 2.71 3.07 1fvhA1 ASP 369 HB3 0.13 -0.07 -0.09 -0.04 2.70 2.63 1fvhA1 LEU 370 H 0.10 0.57 -0.12 -0.55 8.37 8.38 1fvhA1 LEU 370 HA 0.32 0.00 0.29 -0.75 4.35 4.22 1fvhA1 LEU 370 HB2 0.05 0.05 0.06 -0.04 1.64 1.77 1fvhA1 LEU 370 HB3 0.11 0.02 -0.21 -0.04 1.64 1.51 1fvhA1 LEU 370 HG 0.10 0.20 -0.04 -0.04 1.64 1.87 1fvhA1 LEU 370 HD13 0.08 -0.05 -0.13 -0.04 0.93 0.80 1fvhA1 LEU 370 HD23 0.16 -0.03 -0.08 -0.04 0.89 0.90 1fvhA1 ALA 371 H 0.01 0.69 -0.09 -0.55 8.40 8.46 1fvhA1 ALA 371 HA -0.11 0.02 0.41 -0.75 4.34 3.90 1fvhA1 ALA 371 HB3 -0.40 -0.05 0.04 -0.04 1.41 0.96 1fvhA1 MET 372 H 0.15 0.64 -0.10 -0.55 8.47 8.61 1fvhA1 MET 372 HA 0.32 -0.01 0.54 -0.75 4.52 4.62 1fvhA1 MET 372 HB2 0.15 0.23 0.18 -0.04 2.15 2.66 1fvhA1 MET 372 HB3 0.12 0.09 0.15 -0.04 2.03 2.35 1fvhA1 MET 372 HG2 0.10 0.02 -0.09 -0.04 2.63 2.62 1fvhA1 MET 372 HG3 0.13 -0.04 -0.01 -0.04 2.56 2.60 1fvhA1 MET 372 HE3 0.15 -0.05 -0.21 -0.04 2.10 1.95 1fvhA1 GLY 373 H 0.11 0.93 0.07 -0.55 8.43 8.98 1fvhA1 GLY 373 HA2 -0.11 0.01 0.34 -0.51 4.01 3.75 1fvhA1 GLY 373 HA3 -0.07 0.10 0.73 -0.51 4.01 4.27 1fvhA1 THR 374 H 0.09 0.12 -0.47 -0.55 8.28 7.47 1fvhA1 THR 374 HA 0.05 0.20 0.60 -0.75 4.39 4.49 1fvhA1 THR 374 HB 0.06 -0.13 -0.51 -0.04 4.32 3.70 1fvhA1 THR 374 HG23 0.04 0.02 -0.30 -0.04 1.22 0.94 1fvhA1 ASP 375 H 0.06 0.47 0.11 -0.55 8.40 8.49 1fvhA1 ASP 375 HA 0.07 0.19 0.63 -0.75 4.63 4.78 1fvhA1 ASP 375 HB2 0.05 -0.18 0.21 -0.04 2.71 2.75 1fvhA1 ASP 375 HB3 0.05 0.09 0.07 -0.04 2.70 2.87 1fvhA1 ALA 376 H 0.06 0.14 0.14 -0.55 8.40 8.20 1fvhA1 ALA 376 HA 0.11 0.17 0.41 -0.75 4.34 4.27 1fvhA1 ALA 376 HB3 0.07 0.01 0.11 -0.04 1.41 1.55 1fvhA1 ASP 377 H 0.05 0.00 -0.16 -0.55 8.40 7.74 1fvhA1 ASP 377 HA 0.04 0.21 0.49 -0.75 4.63 4.61 1fvhA1 ASP 377 HB2 0.03 -0.06 -0.00 -0.04 2.71 2.64 1fvhA1 ASP 377 HB3 0.02 0.06 0.12 -0.04 2.70 2.86 1fvhA1 GLY 378 H 0.07 0.41 -0.68 -0.55 8.43 7.68 1fvhA1 GLY 378 HA2 0.07 0.10 0.18 -0.51 4.01 3.85 1fvhA1 GLY 378 HA3 0.04 0.14 0.55 -0.51 4.01 4.22 1fvhA1 GLU 379 H 0.04 -0.11 -0.29 -0.55 8.60 7.70 1fvhA1 GLU 379 HA 0.02 0.21 0.72 -0.75 4.29 4.48 1fvhA1 GLU 379 HB2 0.02 -0.15 -0.00 -0.04 2.09 1.92 1fvhA1 GLU 379 HB3 0.01 0.16 -0.08 -0.04 1.99 2.04 1fvhA1 GLU 379 HG2 0.02 -0.03 -0.21 -0.04 2.34 2.07 1fvhA1 GLU 379 HG3 0.01 0.00 -0.06 -0.04 2.34 2.25 1fvhA1 LYS 380 H 0.01 0.14 0.17 -0.55 8.42 8.18 1fvhA1 LYS 380 HA 0.02 0.21 0.51 -0.75 4.32 4.31 1fvhA1 LYS 380 HB2 0.00 -0.10 0.17 -0.04 1.87 1.90 1fvhA1 LYS 380 HB3 0.00 0.11 0.06 -0.04 1.79 1.93 1fvhA1 LYS 380 HG2 -0.00 -0.02 0.09 -0.04 1.46 1.49 1fvhA1 LYS 380 HG3 -0.02 -0.03 0.07 -0.04 1.46 1.44 1fvhA1 LYS 380 HD2 -0.05 0.03 0.05 -0.04 1.69 1.69 1fvhA1 LYS 380 HD3 -0.04 0.06 -0.02 -0.04 1.68 1.64 1fvhA1 LYS 380 HE2 -0.04 0.00 0.01 -0.04 2.99 2.91 1fvhA1 LYS 380 HE3 -0.05 -0.04 0.03 -0.04 2.99 2.88 1fvhA1 ILE 381 H 0.08 0.60 0.35 -0.55 8.25 8.72 1fvhA1 ILE 381 HA 0.01 0.04 0.48 -0.75 4.18 3.95 1fvhA1 ILE 381 HB 0.03 -0.10 -0.03 -0.04 1.89 1.75 1fvhA1 ILE 381 HG12 0.20 0.46 -0.01 -0.04 1.49 2.09 1fvhA1 ILE 381 HG13 0.40 -0.07 -0.16 -0.04 1.21 1.34 1fvhA1 ILE 381 HG23 0.08 -0.03 -0.20 -0.04 0.93 0.75 1fvhA1 ILE 381 HD13 0.40 -0.02 -0.27 -0.04 0.88 0.94 1fvhA1 ARG 382 H -0.13 0.34 0.18 -0.55 8.46 8.30 1fvhA1 ARG 382 HA -0.44 0.04 0.45 -0.75 4.34 3.63 1fvhA1 ARG 382 HB2 -0.09 -0.07 0.02 -0.04 1.90 1.72 1fvhA1 ARG 382 HB3 -0.06 0.14 0.08 -0.04 1.80 1.92 1fvhA1 ARG 382 HG2 -0.03 0.02 -0.14 -0.04 1.67 1.48 1fvhA1 ARG 382 HG3 -0.04 0.12 -0.53 -0.04 1.67 1.18 1fvhA1 ARG 382 HD2 -0.07 -0.04 -0.11 -0.04 3.22 2.95 1fvhA1 ARG 382 HD3 -0.04 -0.02 -0.11 -0.04 3.22 3.01 1fvhA1 ASP 383 H -0.20 0.15 0.15 -0.55 8.40 7.96 1fvhA1 ASP 383 HA -0.06 0.01 0.34 -0.75 4.63 4.17 1fvhA1 ASP 383 HB2 -0.07 0.44 0.33 -0.04 2.71 3.37 1fvhA1 ASP 383 HB3 -0.04 -0.06 0.25 -0.04 2.70 2.81 1fvhA1 HIS 384 H -0.37 0.08 -0.06 -0.55 8.41 7.52 1fvhA1 HIS 384 HA 0.02 0.14 0.23 -0.75 4.63 4.26 1fvhA1 HIS 384 HB2 0.04 -0.11 0.12 -0.04 3.26 3.27 1fvhA1 HIS 384 HB3 0.06 0.07 -0.03 -0.04 3.20 3.26 1fvhA1 HIS 384 HD2 0.04 0.02 -0.12 -0.04 6.97 6.86 1fvhA1 HIS 384 HE1 -0.02 0.11 -0.03 -0.04 7.75 7.76 1fvhA1 MET 385 H 0.06 0.13 -0.05 -0.55 8.47 8.07 1fvhA1 MET 385 HA -0.08 -0.02 0.41 -0.75 4.52 4.08 1fvhA1 MET 385 HB2 -0.01 0.02 0.02 -0.04 2.15 2.14 1fvhA1 MET 385 HB3 -0.02 0.05 0.01 -0.04 2.03 2.03 1fvhA1 MET 385 HG2 -0.03 -0.03 0.07 -0.04 2.63 2.60 1fvhA1 MET 385 HG3 -0.03 0.07 0.02 -0.04 2.56 2.58 1fvhA1 MET 385 HE3 -0.75 -0.00 -0.04 -0.04 2.10 1.27 1fvhA1 ARG 386 H -0.01 0.16 -0.44 -0.55 8.46 7.62 1fvhA1 ARG 386 HA -0.01 -0.00 0.32 -0.75 4.34 3.89 1fvhA1 ARG 386 HB2 -0.02 -0.06 0.14 -0.04 1.90 1.92 1fvhA1 ARG 386 HB3 -0.01 0.11 0.04 -0.04 1.80 1.90 1fvhA1 ARG 386 HG2 -0.01 -0.02 0.05 -0.04 1.67 1.65 1fvhA1 ARG 386 HG3 -0.01 0.02 0.03 -0.04 1.67 1.67 1fvhA1 ARG 386 HD2 -0.01 0.02 0.09 -0.04 3.22 3.28 1fvhA1 ARG 386 HD3 -0.01 -0.07 0.04 -0.04 3.22 3.14 1fvhA1 ASN 387 H 0.00 0.52 -0.38 -0.55 8.53 8.12 1fvhA1 ASN 387 HA -0.01 0.17 0.89 -0.75 4.76 5.06 1fvhA1 ASN 387 HB2 0.02 0.08 0.07 -0.04 2.88 3.01 1fvhA1 ASN 387 HB3 0.01 -0.05 -0.01 -0.04 2.79 2.70 1fvhA1 ASN 387 HD21 0.01 -0.03 -0.05 -0.04 7.03 6.93 1fvhA1 ASN 387 HD22 0.02 -0.01 -0.05 -0.04 7.74 7.66 1fvhA1 ILE 388 H -0.02 0.20 0.10 -0.55 8.25 7.98 1fvhA1 ILE 388 HA -0.03 0.07 0.47 -0.75 4.18 3.95 1fvhA1 ILE 388 HB -0.11 -0.13 0.17 -0.04 1.89 1.77 1fvhA1 ILE 388 HG12 -0.04 0.18 -0.28 -0.04 1.49 1.32 1fvhA1 ILE 388 HG13 -0.30 -0.05 -0.15 -0.04 1.21 0.68 1fvhA1 ILE 388 HG23 -0.13 0.00 -0.15 -0.04 0.93 0.61 1fvhA1 ILE 388 HD13 0.00 0.02 -0.09 -0.04 0.88 0.76 1fvhA1 VAL 389 H -0.03 0.26 0.12 -0.55 8.24 8.05 1fvhA1 VAL 389 HA 0.02 -0.02 0.31 -0.75 4.13 3.68 1fvhA1 VAL 389 HB -0.01 0.15 0.02 -0.04 2.12 2.24 1fvhA1 VAL 389 HG13 -0.05 0.00 -0.17 -0.04 0.97 0.71 1fvhA1 VAL 389 HG23 0.06 -0.03 0.05 -0.04 0.95 0.99 1fvhA1 PRO 390 HA -0.02 0.03 0.36 -0.51 4.44 4.30 1fvhA1 PRO 390 HB2 -0.01 0.09 -0.03 -0.04 2.28 2.28 1fvhA1 PRO 390 HB3 -0.02 -0.02 0.07 -0.04 2.02 2.01 1fvhA1 PRO 390 HG2 -0.01 0.22 0.08 -0.04 2.03 2.27 1fvhA1 PRO 390 HG3 -0.02 -0.05 0.00 -0.04 2.03 1.92 1fvhA1 PRO 390 HD2 -0.01 0.06 -0.74 -0.04 3.68 2.95 1fvhA1 PRO 390 HD3 -0.02 0.06 -0.12 -0.04 3.65 3.54 1fvhA1 ILE 391 H -0.01 0.52 -0.42 -0.55 8.25 7.79 1fvhA1 ILE 391 HA -0.01 0.04 0.57 -0.75 4.18 4.03 1fvhA1 ILE 391 HB -0.01 0.11 0.18 -0.04 1.89 2.12 1fvhA1 ILE 391 HG12 -0.02 0.10 0.07 -0.04 1.49 1.60 1fvhA1 ILE 391 HG13 -0.02 -0.06 0.08 -0.04 1.21 1.18 1fvhA1 ILE 391 HG23 -0.01 -0.03 -0.12 -0.04 0.93 0.73 1fvhA1 ILE 391 HD13 -0.03 -0.02 -0.06 -0.04 0.88 0.73 1fvhA1 LEU 392 H 0.00 0.31 0.04 -0.55 8.37 8.17 1fvhA1 LEU 392 HA 0.02 0.02 0.36 -0.75 4.35 4.00 1fvhA1 LEU 392 HB2 0.04 -0.04 0.05 -0.04 1.64 1.65 1fvhA1 LEU 392 HB3 0.09 0.05 -0.34 -0.04 1.64 1.40 1fvhA1 LEU 392 HG 0.03 0.01 -0.05 -0.04 1.64 1.58 1fvhA1 LEU 392 HD13 -0.01 -0.01 -0.10 -0.04 0.93 0.77 1fvhA1 LEU 392 HD23 0.00 -0.04 -0.06 -0.04 0.89 0.75 1fvhA1 LEU 393 H -0.00 0.50 -0.25 -0.55 8.37 8.07 1fvhA1 LEU 393 HA -0.04 0.29 0.61 -0.75 4.35 4.46 1fvhA1 LEU 393 HB2 -0.04 0.02 0.00 -0.04 1.64 1.58 1fvhA1 LEU 393 HB3 -0.05 -0.09 0.15 -0.04 1.64 1.61 1fvhA1 LEU 393 HG -0.02 -0.03 -0.03 -0.04 1.64 1.53 1fvhA1 LEU 393 HD13 -0.13 -0.04 -0.03 -0.04 0.93 0.69 1fvhA1 LEU 393 HD23 0.02 0.11 0.03 -0.04 0.89 1.01 1fvhA1 ASP 394 H -0.02 0.50 -0.65 -0.55 8.40 7.68 1fvhA1 ASP 394 HA -0.03 -0.00 0.73 -0.75 4.63 4.57 1fvhA1 ASP 394 HB2 -0.02 0.18 0.21 -0.04 2.71 3.04 1fvhA1 ASP 394 HB3 -0.01 0.18 0.30 -0.04 2.70 3.13 1fvhA1 GLN 395 H -0.06 0.20 0.15 -0.55 8.47 8.22 1fvhA1 GLN 395 HA -0.08 0.23 0.39 -0.75 4.36 4.16 1fvhA1 GLN 395 HB2 -0.09 0.05 0.14 -0.04 2.15 2.20 1fvhA1 GLN 395 HB3 -0.05 -0.06 0.03 -0.04 2.02 1.89 1fvhA1 GLN 395 HG2 -0.06 -0.02 0.09 -0.04 2.40 2.37 1fvhA1 GLN 395 HG3 -0.14 0.09 0.07 -0.04 2.39 2.37 1fvhA1 GLN 395 HE21 -0.04 -0.05 0.02 -0.04 6.97 6.86 1fvhA1 GLN 395 HE22 -0.05 0.01 0.03 -0.04 7.69 7.64 1fvhA1 LYS 396 H -0.03 0.00 -0.30 -0.55 8.42 7.54 1fvhA1 LYS 396 HA -0.02 0.09 0.52 -0.75 4.32 4.16 1fvhA1 LYS 396 HB2 -0.02 -0.03 0.07 -0.04 1.87 1.84 1fvhA1 LYS 396 HB3 -0.01 -0.01 0.04 -0.04 1.79 1.77 1fvhA1 LYS 396 HG2 -0.02 0.00 0.07 -0.04 1.46 1.46 1fvhA1 LYS 396 HG3 -0.03 -0.03 0.06 -0.04 1.46 1.42 1fvhA1 LYS 396 HD2 -0.02 -0.02 0.01 -0.04 1.69 1.62 1fvhA1 LYS 396 HD3 -0.01 0.01 -0.05 -0.04 1.68 1.60 1fvhA1 LYS 396 HE2 -0.04 -0.05 -0.07 -0.04 2.99 2.80 1fvhA1 LYS 396 HE3 -0.06 -0.04 -0.00 -0.04 2.99 2.85 1fvhA1 ILE 397 H -0.00 0.45 -0.35 -0.55 8.25 7.80 1fvhA1 ILE 397 HA 0.08 -0.01 0.69 -0.75 4.18 4.18 1fvhA1 ILE 397 HB 0.01 0.37 0.18 -0.04 1.89 2.41 1fvhA1 ILE 397 HG12 0.02 -0.09 0.02 -0.04 1.49 1.39 1fvhA1 ILE 397 HG13 0.00 0.02 0.08 -0.04 1.21 1.28 1fvhA1 ILE 397 HG23 0.03 0.00 -0.12 -0.04 0.93 0.80 1fvhA1 ILE 397 HD13 0.07 -0.01 0.01 -0.04 0.88 0.91 1fvhA1 SER 398 H 0.10 0.03 0.16 -0.55 8.46 8.21 1fvhA1 SER 398 HA 0.02 0.17 0.37 -0.75 4.49 4.30 1fvhA1 SER 398 HB2 0.08 0.14 0.17 -0.04 3.95 4.30 1fvhA1 SER 398 HB3 0.11 -0.03 0.16 -0.04 3.93 4.13 1fvhA1 ALA 399 H -0.03 0.13 0.22 -0.55 8.40 8.16 1fvhA1 ALA 399 HA 0.03 0.30 0.55 -0.75 4.34 4.47 1fvhA1 ALA 399 HB3 -0.07 0.02 0.12 -0.04 1.41 1.44 1fvhA1 TYR 400 H 0.07 0.08 0.04 -0.55 8.29 7.93 1fvhA1 TYR 400 HA 0.01 0.15 0.55 -0.75 4.56 4.52 1fvhA1 TYR 400 HB2 0.03 -0.01 0.11 -0.04 3.06 3.15 1fvhA1 TYR 400 HB3 0.01 0.03 -0.01 -0.04 2.98 2.97 1fvhA1 TYR 400 HD2 0.01 0.01 -0.05 -0.04 7.15 7.08 1fvhA1 TYR 400 HE2 0.01 0.02 -0.03 -0.04 6.85 6.81 1fvhA1 ASP 401 H 0.14 0.05 -0.34 -0.55 8.40 7.70 1fvhA1 ASP 401 HA 0.12 0.08 0.37 -0.75 4.63 4.45 1fvhA1 ASP 401 HB2 0.06 0.17 -0.00 -0.04 2.71 2.90 1fvhA1 ASP 401 HB3 0.04 0.04 -0.03 -0.04 2.70 2.71 1fvhA1 LYS 402 H 0.07 0.35 -0.38 -0.55 8.42 7.90 1fvhA1 LYS 402 HA 0.02 0.02 0.31 -0.75 4.32 3.92 1fvhA1 LYS 402 HB2 0.05 0.11 0.08 -0.04 1.87 2.07 1fvhA1 LYS 402 HB3 0.03 -0.06 -0.05 -0.04 1.79 1.67 1fvhA1 LYS 402 HG2 0.02 -0.09 -0.09 -0.04 1.46 1.27 1fvhA1 LYS 402 HG3 0.03 0.09 -0.01 -0.04 1.46 1.53 1fvhA1 LYS 402 HD2 0.03 -0.04 0.01 -0.04 1.69 1.65 1fvhA1 LYS 402 HD3 0.04 -0.12 0.09 -0.04 1.68 1.65 1fvhA1 LYS 402 HE2 0.01 0.05 0.15 -0.04 2.99 3.15 1fvhA1 LYS 402 HE3 0.01 -0.09 -0.01 -0.04 2.99 2.86 1fvhA1 ILE 403 H 0.08 0.39 -0.30 -0.55 8.25 7.87 1fvhA1 ILE 403 HA 0.02 0.00 0.34 -0.75 4.18 3.78 1fvhA1 ILE 403 HB 0.09 0.06 0.16 -0.04 1.89 2.16 1fvhA1 ILE 403 HG12 0.04 -0.05 -0.01 -0.04 1.49 1.43 1fvhA1 ILE 403 HG13 0.10 0.19 0.06 -0.04 1.21 1.52 1fvhA1 ILE 403 HG23 -0.03 -0.01 -0.20 -0.04 0.93 0.65 1fvhA1 ILE 403 HD13 0.21 -0.04 -0.05 -0.04 0.88 0.97 1fvhA1 ARG 404 H 0.03 0.49 -0.33 -0.55 8.46 8.09 1fvhA1 ARG 404 HA -0.05 0.02 0.38 -0.75 4.34 3.94 1fvhA1 ARG 404 HB2 0.03 0.19 0.20 -0.04 1.90 2.27 1fvhA1 ARG 404 HB3 -0.03 -0.01 0.00 -0.04 1.80 1.72 1fvhA1 ARG 404 HG2 -0.09 -0.01 0.03 -0.04 1.67 1.56 1fvhA1 ARG 404 HG3 -0.05 0.05 0.05 -0.04 1.67 1.68 1fvhA1 ARG 404 HD2 -0.06 -0.14 -0.13 -0.04 3.22 2.85 1fvhA1 ARG 404 HD3 0.04 -0.06 -0.07 -0.04 3.22 3.09 1fvhA1 ILE 405 H 0.01 0.46 -0.09 -0.55 8.25 8.08 1fvhA1 ILE 405 HA 0.01 0.04 0.48 -0.75 4.18 3.96 1fvhA1 ILE 405 HB 0.01 -0.05 0.05 -0.04 1.89 1.87 1fvhA1 ILE 405 HG12 -0.00 0.15 -0.06 -0.04 1.49 1.53 1fvhA1 ILE 405 HG13 0.01 -0.09 -0.52 -0.04 1.21 0.57 1fvhA1 ILE 405 HG23 0.01 0.05 0.06 -0.04 0.93 1.01 1fvhA1 ILE 405 HD13 -0.01 -0.02 -0.03 -0.04 0.88 0.78 1fvhA1 ILE 406 H 0.01 0.52 -0.32 -0.55 8.25 7.90 1fvhA1 ILE 406 HA 0.05 -0.00 0.44 -0.75 4.18 3.92 1fvhA1 ILE 406 HB 0.00 0.13 0.08 -0.04 1.89 2.06 1fvhA1 ILE 406 HG12 -0.03 -0.11 -0.05 -0.04 1.49 1.26 1fvhA1 ILE 406 HG13 -0.00 0.23 0.03 -0.04 1.21 1.42 1fvhA1 ILE 406 HG23 0.00 -0.03 -0.09 -0.04 0.93 0.77 1fvhA1 ILE 406 HD13 -0.01 -0.03 -0.23 -0.04 0.88 0.57 1fvhA1 LEU 407 H -0.01 0.51 -0.20 -0.55 8.37 8.12 1fvhA1 LEU 407 HA -0.01 0.03 0.50 -0.75 4.35 4.11 1fvhA1 LEU 407 HB2 -0.05 0.15 0.14 -0.04 1.64 1.84 1fvhA1 LEU 407 HB3 -0.07 -0.01 -0.07 -0.04 1.64 1.45 1fvhA1 LEU 407 HG -0.03 -0.03 -0.03 -0.04 1.64 1.51 1fvhA1 LEU 407 HD13 -0.06 0.01 -0.12 -0.04 0.93 0.72 1fvhA1 LEU 407 HD23 -0.04 0.00 -0.01 -0.04 0.89 0.80 1fvhA1 LEU 408 H -0.02 0.51 -0.09 -0.55 8.37 8.22 1fvhA1 LEU 408 HA -0.06 0.04 0.32 -0.75 4.35 3.89 1fvhA1 LEU 408 HB2 -0.00 0.02 0.18 -0.04 1.64 1.80 1fvhA1 LEU 408 HB3 -0.01 -0.03 -0.07 -0.04 1.64 1.48 1fvhA1 LEU 408 HG -0.10 0.11 0.02 -0.04 1.64 1.63 1fvhA1 LEU 408 HD13 -0.08 -0.03 -0.12 -0.04 0.93 0.66 1fvhA1 LEU 408 HD23 -0.21 -0.00 -0.05 -0.04 0.89 0.59 1fvhA1 TYR 409 H 0.11 0.66 -0.29 -0.55 8.29 8.22 1fvhA1 TYR 409 HA -0.10 0.01 0.32 -0.75 4.56 4.03 1fvhA1 TYR 409 HB2 -0.08 0.02 0.07 -0.04 3.06 3.03 1fvhA1 TYR 409 HB3 -0.07 0.08 0.13 -0.04 2.98 3.08 1fvhA1 TYR 409 HD2 -0.19 0.04 -0.08 -0.04 7.15 6.88 1fvhA1 TYR 409 HE2 -0.34 -0.07 -0.05 -0.04 6.85 6.34 1fvhA1 ILE 410 H 0.04 0.52 -0.25 -0.55 8.25 8.01 1fvhA1 ILE 410 HA -0.25 -0.04 0.32 -0.75 4.18 3.46 1fvhA1 ILE 410 HB -0.02 0.07 0.15 -0.04 1.89 2.06 1fvhA1 ILE 410 HG12 0.05 -0.13 -0.00 -0.04 1.49 1.36 1fvhA1 ILE 410 HG13 0.08 0.38 0.15 -0.04 1.21 1.79 1fvhA1 ILE 410 HG23 -0.03 -0.01 -0.07 -0.04 0.93 0.79 1fvhA1 ILE 410 HD13 -0.00 -0.02 -0.03 -0.04 0.88 0.78 1fvhA1 ILE 411 H -0.03 0.91 -0.10 -0.55 8.25 8.48 1fvhA1 ILE 411 HA 0.04 0.05 0.32 -0.75 4.18 3.84 1fvhA1 ILE 411 HB -0.00 0.08 0.08 -0.04 1.89 2.01 1fvhA1 ILE 411 HG12 -0.06 -0.05 -0.08 -0.04 1.49 1.26 1fvhA1 ILE 411 HG13 -0.04 0.15 0.01 -0.04 1.21 1.28 1fvhA1 ILE 411 HG23 0.02 -0.03 -0.15 -0.04 0.93 0.73 1fvhA1 ILE 411 HD13 -0.15 -0.07 -0.30 -0.04 0.88 0.31 1fvhA1 HIS 412 H 0.07 0.57 -0.27 -0.55 8.41 8.23 1fvhA1 HIS 412 HA 0.10 0.01 0.41 -0.75 4.63 4.40 1fvhA1 HIS 412 HB2 -0.01 0.12 0.12 -0.04 3.26 3.45 1fvhA1 HIS 412 HB3 -0.22 0.07 0.21 -0.04 3.20 3.21 1fvhA1 HIS 412 HD2 0.02 -0.03 0.04 -0.04 6.97 6.96 1fvhA1 HIS 412 HE1 -0.00 -0.03 -0.05 -0.04 7.75 7.62 1fvhA1 LYS 413 H -0.32 0.56 -0.02 -0.55 8.42 8.08 1fvhA1 LYS 413 HA -0.06 -0.04 0.42 -0.75 4.32 3.88 1fvhA1 LYS 413 HB2 -0.45 0.03 0.10 -0.04 1.87 1.52 1fvhA1 LYS 413 HB3 -0.20 0.06 0.05 -0.04 1.79 1.65 1fvhA1 LYS 413 HG2 -1.06 0.02 0.04 -0.04 1.46 0.42 1fvhA1 LYS 413 HG3 -0.71 -0.15 -0.00 -0.04 1.46 0.56 1fvhA1 LYS 413 HD2 -0.13 -0.01 0.06 -0.04 1.69 1.57 1fvhA1 LYS 413 HD3 -0.18 0.10 0.04 -0.04 1.68 1.60 1fvhA1 LYS 413 HE2 -0.37 -0.02 -0.00 -0.04 2.99 2.56 1fvhA1 LYS 413 HE3 -0.02 -0.10 0.01 -0.04 2.99 2.84 1fvhA1 GLY 414 H 0.02 0.34 -0.72 -0.55 8.43 7.52 1fvhA1 GLY 414 HA2 0.06 0.05 0.32 -0.51 4.01 3.93 1fvhA1 GLY 414 HA3 0.03 -0.03 0.44 -0.51 4.01 3.94 1fvhA1 GLY 415 H -0.04 0.30 -0.19 -0.55 8.43 7.96 1fvhA1 GLY 415 HA2 -0.01 -0.10 -0.13 -0.51 4.01 3.26 1fvhA1 GLY 415 HA3 -0.00 0.16 0.48 -0.51 4.01 4.14 1fvhA1 ILE 416 H -0.01 0.73 0.15 -0.55 8.25 8.57 1fvhA1 ILE 416 HA -0.01 0.20 0.82 -0.75 4.18 4.43 1fvhA1 ILE 416 HB -0.00 0.08 -0.01 -0.04 1.89 1.92 1fvhA1 ILE 416 HG12 0.13 -0.03 -0.04 -0.04 1.49 1.51 1fvhA1 ILE 416 HG13 0.05 -0.16 0.13 -0.04 1.21 1.18 1fvhA1 ILE 416 HG23 0.00 -0.02 -0.07 -0.04 0.93 0.80 1fvhA1 ILE 416 HD13 -0.05 0.09 -0.07 -0.04 0.88 0.82 1fvhA1 SER 417 H 0.00 0.12 0.20 -0.55 8.46 8.23 1fvhA1 SER 417 HA -0.00 0.19 0.83 -0.75 4.49 4.75 1fvhA1 SER 417 HB2 -0.00 -0.02 0.17 -0.04 3.95 4.06 1fvhA1 SER 417 HB3 0.00 0.15 0.12 -0.04 3.93 4.16 1fvhA1 GLU 418 H -0.01 0.22 0.18 -0.55 8.60 8.45 1fvhA1 GLU 418 HA -0.04 0.13 0.40 -0.75 4.29 4.03 1fvhA1 GLU 418 HB2 -0.01 -0.06 0.15 -0.04 2.09 2.13 1fvhA1 GLU 418 HB3 -0.02 0.07 0.01 -0.04 1.99 2.01 1fvhA1 GLU 418 HG2 -0.00 -0.02 0.10 -0.04 2.34 2.37 1fvhA1 GLU 418 HG3 0.01 0.05 0.06 -0.04 2.34 2.41 1fvhA1 GLU 419 H -0.02 0.03 -0.25 -0.55 8.60 7.82 1fvhA1 GLU 419 HA -0.03 0.13 0.36 -0.75 4.29 4.00 1fvhA1 GLU 419 HB2 -0.01 0.03 0.09 -0.04 2.09 2.16 1fvhA1 GLU 419 HB3 -0.01 -0.09 0.08 -0.04 1.99 1.92 1fvhA1 GLU 419 HG2 -0.01 0.03 -0.02 -0.04 2.34 2.30 1fvhA1 GLU 419 HG3 -0.02 0.01 -0.23 -0.04 2.34 2.07 1fvhA1 ASN 420 H -0.02 0.07 -0.09 -0.55 8.53 7.94 1fvhA1 ASN 420 HA -0.05 0.10 0.55 -0.75 4.76 4.61 1fvhA1 ASN 420 HB2 0.00 -0.10 0.17 -0.04 2.88 2.92 1fvhA1 ASN 420 HB3 0.01 0.07 -0.04 -0.04 2.79 2.79 1fvhA1 ASN 420 HD21 -0.01 0.03 0.01 -0.04 7.03 7.03 1fvhA1 ASN 420 HD22 -0.04 -0.00 0.03 -0.04 7.74 7.70 1fvhA1 LEU 421 H -0.04 0.53 -0.11 -0.55 8.37 8.21 1fvhA1 LEU 421 HA -0.05 0.05 0.41 -0.75 4.35 4.00 1fvhA1 LEU 421 HB2 -0.05 0.08 0.06 -0.04 1.64 1.69 1fvhA1 LEU 421 HB3 -0.09 0.08 0.02 -0.04 1.64 1.60 1fvhA1 LEU 421 HG -0.05 0.03 -0.02 -0.04 1.64 1.56 1fvhA1 LEU 421 HD13 -0.11 -0.00 -0.06 -0.04 0.93 0.71 1fvhA1 LEU 421 HD23 -0.11 -0.01 -0.01 -0.04 0.89 0.72 1fvhA1 ALA 422 H -0.08 0.50 -0.26 -0.55 8.40 8.01 1fvhA1 ALA 422 HA -0.11 -0.01 0.33 -0.75 4.34 3.80 1fvhA1 ALA 422 HB3 -0.07 0.11 0.13 -0.04 1.41 1.54 1fvhA1 LYS 423 H -0.11 0.24 -0.22 -0.55 8.42 7.78 1fvhA1 LYS 423 HA -0.20 0.05 0.46 -0.75 4.32 3.87 1fvhA1 LYS 423 HB2 -0.16 0.07 0.17 -0.04 1.87 1.91 1fvhA1 LYS 423 HB3 -0.30 -0.04 0.05 -0.04 1.79 1.45 1fvhA1 LYS 423 HG2 -0.07 0.16 0.07 -0.04 1.46 1.58 1fvhA1 LYS 423 HG3 -0.05 -0.05 0.02 -0.04 1.46 1.34 1fvhA1 LYS 423 HD2 -0.01 -0.01 0.03 -0.04 1.69 1.67 1fvhA1 LYS 423 HD3 -0.08 0.01 -0.01 -0.04 1.68 1.56 1fvhA1 LYS 423 HE2 -0.01 -0.02 -0.01 -0.04 2.99 2.90 1fvhA1 LYS 423 HE3 -0.01 0.01 -0.02 -0.04 2.99 2.93 1fvhA1 LEU 424 H -0.17 0.53 -0.13 -0.55 8.37 8.05 1fvhA1 LEU 424 HA -0.27 0.04 0.61 -0.75 4.35 3.98 1fvhA1 LEU 424 HB2 -0.10 0.09 0.14 -0.04 1.64 1.72 1fvhA1 LEU 424 HB3 -0.10 -0.03 0.03 -0.04 1.64 1.50 1fvhA1 LEU 424 HG -0.13 0.27 0.08 -0.04 1.64 1.81 1fvhA1 LEU 424 HD13 -0.06 -0.02 -0.03 -0.04 0.93 0.77 1fvhA1 LEU 424 HD23 -0.20 -0.02 -0.06 -0.04 0.89 0.56 1fvhA1 VAL 425 H -0.13 0.66 0.02 -0.55 8.24 8.24 1fvhA1 VAL 425 HA -0.06 0.01 0.35 -0.75 4.13 3.68 1fvhA1 VAL 425 HB -0.11 0.11 0.04 -0.04 2.12 2.11 1fvhA1 VAL 425 HG13 -0.10 -0.02 0.01 -0.04 0.97 0.82 1fvhA1 VAL 425 HG23 -0.13 0.09 -0.00 -0.04 0.95 0.87 1fvhA1 GLN 426 H -0.15 0.20 -0.67 -0.55 8.47 7.31 1fvhA1 GLN 426 HA -0.14 0.07 0.57 -0.75 4.36 4.10 1fvhA1 GLN 426 HB2 -0.14 0.14 0.17 -0.04 2.15 2.28 1fvhA1 GLN 426 HB3 0.00 -0.02 -0.05 -0.04 2.02 1.92 1fvhA1 GLN 426 HG2 -0.09 -0.04 0.01 -0.04 2.40 2.24 1fvhA1 GLN 426 HG3 -0.09 0.20 0.04 -0.04 2.39 2.49 1fvhA1 GLN 426 HE21 -0.03 -0.05 -0.05 -0.04 6.97 6.80 1fvhA1 GLN 426 HE22 -0.07 0.05 -0.17 -0.04 7.69 7.47 1fvhA1 HIS 427 H -0.11 0.41 0.06 -0.55 8.41 8.23 1fvhA1 HIS 427 HA 0.11 0.03 0.33 -0.75 4.63 4.35 1fvhA1 HIS 427 HB2 -0.00 0.01 0.08 -0.04 3.26 3.31 1fvhA1 HIS 427 HB3 0.02 -0.03 0.00 -0.04 3.20 3.15 1fvhA1 HIS 427 HD2 -0.02 -0.08 -0.01 -0.04 6.97 6.82 1fvhA1 HIS 427 HE1 -0.03 -0.08 -0.01 -0.04 7.75 7.59 1fvhA1 ALA 428 H 0.09 0.28 -0.48 -0.55 8.40 7.75 1fvhA1 ALA 428 HA 0.12 0.40 0.63 -0.75 4.34 4.73 1fvhA1 ALA 428 HB3 0.05 -0.05 -0.03 -0.04 1.41 1.33 1fvhA1 HIS 429 H 0.10 0.18 -0.36 -0.55 8.41 7.78 1fvhA1 HIS 429 HA 0.00 0.02 0.33 -0.75 4.63 4.23 1fvhA1 HIS 429 HB2 0.00 0.29 0.07 -0.04 3.26 3.59 1fvhA1 HIS 429 HB3 0.00 -0.14 0.17 -0.04 3.20 3.19 1fvhA1 HIS 429 HD2 0.00 -0.10 -0.01 -0.04 6.97 6.82 1fvhA1 HIS 429 HE1 0.02 -0.10 -0.04 -0.04 7.75 7.59 1fvhA1 ILE 430 H 0.02 0.32 0.05 -0.55 8.25 8.09 1fvhA1 ILE 430 HA 0.04 0.20 0.70 -0.75 4.18 4.36 1fvhA1 ILE 430 HB -0.01 -0.06 0.00 -0.04 1.89 1.79 1fvhA1 ILE 430 HG12 0.04 0.07 -0.14 -0.04 1.49 1.42 1fvhA1 ILE 430 HG13 0.03 -0.03 -0.24 -0.04 1.21 0.93 1fvhA1 ILE 430 HG23 0.04 0.01 -0.21 -0.04 0.93 0.73 1fvhA1 ILE 430 HD13 0.01 -0.02 -0.12 -0.04 0.88 0.71 1fvhA1 PRO 431 HA 0.02 0.09 0.45 -0.51 4.44 4.49 1fvhA1 PRO 431 HB2 0.04 -0.16 0.18 -0.04 2.28 2.29 1fvhA1 PRO 431 HB3 0.03 0.08 0.13 -0.04 2.02 2.22 1fvhA1 PRO 431 HG2 0.00 0.04 0.12 -0.04 2.03 2.15 1fvhA1 PRO 431 HG3 0.02 0.13 0.11 -0.04 2.03 2.25 1fvhA1 PRO 431 HD2 0.02 0.01 0.23 -0.04 3.68 3.89 1fvhA1 PRO 431 HD3 0.02 0.41 0.32 -0.04 3.65 4.37 1fvhA1 ALA 432 H 0.03 0.21 0.21 -0.55 8.40 8.30 1fvhA1 ALA 432 HA -0.02 0.08 0.33 -0.75 4.34 3.98 1fvhA1 ALA 432 HB3 0.07 0.03 0.14 -0.04 1.41 1.61 1fvhA1 GLU 433 H 0.08 -0.05 -1.30 -0.55 8.60 6.80 1fvhA1 GLU 433 HA 0.22 0.19 0.66 -0.75 4.29 4.60 1fvhA1 GLU 433 HB2 0.08 0.01 -0.01 -0.04 2.09 2.13 1fvhA1 GLU 433 HB3 0.10 0.07 0.04 -0.04 1.99 2.15 1fvhA1 GLU 433 HG2 0.07 0.06 -0.04 -0.04 2.34 2.40 1fvhA1 GLU 433 HG3 0.08 -0.17 -0.13 -0.04 2.34 2.09 1fvhA1 GLU 434 H 0.08 0.52 0.15 -0.55 8.60 8.81 1fvhA1 GLU 434 HA 0.15 0.15 0.61 -0.75 4.29 4.44 1fvhA1 GLU 434 HB2 0.08 0.07 0.00 -0.04 2.09 2.20 1fvhA1 GLU 434 HB3 0.21 -0.02 0.09 -0.04 1.99 2.22 1fvhA1 GLU 434 HG2 0.07 -0.10 0.05 -0.04 2.34 2.32 1fvhA1 GLU 434 HG3 0.02 0.01 0.05 -0.04 2.34 2.38 1fvhA1 LYS 435 H 0.04 0.15 -0.50 -0.55 8.42 7.56 1fvhA1 LYS 435 HA -0.09 0.10 0.41 -0.75 4.32 3.98 1fvhA1 LYS 435 HB2 -0.11 0.10 -0.11 -0.04 1.87 1.71 1fvhA1 LYS 435 HB3 -0.27 0.12 -0.02 -0.04 1.79 1.58 1fvhA1 LYS 435 HG2 -0.25 -0.04 0.03 -0.04 1.46 1.16 1fvhA1 LYS 435 HG3 -0.24 0.03 -0.03 -0.04 1.46 1.18 1fvhA1 LYS 435 HD2 -0.92 0.07 -0.12 -0.04 1.69 0.68 1fvhA1 LYS 435 HD3 -0.89 -0.04 -0.51 -0.04 1.68 0.20 1fvhA1 LYS 435 HE2 -0.39 -0.05 -0.06 -0.04 2.99 2.45 1fvhA1 LYS 435 HE3 -0.36 0.02 -0.05 -0.04 2.99 2.56 1fvhA1 TRP 436 H 0.16 0.28 -0.35 -0.55 7.97 7.52 1fvhA1 TRP 436 HA 0.02 0.02 0.51 -0.75 4.62 4.42 1fvhA1 TRP 436 HB2 0.03 0.18 0.04 -0.04 3.23 3.44 1fvhA1 TRP 436 HB3 0.03 -0.02 0.07 -0.04 3.23 3.27 1fvhA1 TRP 436 HD1 0.02 0.17 0.14 -0.04 7.22 7.51 1fvhA1 TRP 436 HE1 0.01 0.00 0.06 -0.04 10.20 10.24 1fvhA1 TRP 436 HE3 0.02 -0.05 0.03 -0.04 7.59 7.55 1fvhA1 TRP 436 HZ2 0.01 -0.01 0.01 -0.04 7.44 7.41 1fvhA1 TRP 436 HZ3 0.01 -0.00 -0.00 -0.04 7.13 7.10 1fvhA1 TRP 436 HH2 0.01 -0.02 0.00 -0.04 7.19 7.14 1fvhA1 ILE 437 H 0.12 0.20 -0.57 -0.55 8.25 7.45 1fvhA1 ILE 437 HA 0.10 0.17 0.18 -0.75 4.18 3.88 1fvhA1 ILE 437 HB 0.04 0.12 -0.01 -0.04 1.89 2.00 1fvhA1 ILE 437 HG12 0.08 0.06 -0.10 -0.04 1.49 1.48 1fvhA1 ILE 437 HG13 0.12 -0.06 0.01 -0.04 1.21 1.24 1fvhA1 ILE 437 HG23 -0.04 -0.01 -0.10 -0.04 0.93 0.73 1fvhA1 ILE 437 HD13 0.09 -0.00 -0.02 -0.04 0.88 0.91 1fvhA1 ILE 438 H -0.01 0.23 -0.53 -0.55 8.25 7.39 1fvhA1 ILE 438 HA -0.01 0.08 0.35 -0.75 4.18 3.84 1fvhA1 ILE 438 HB -0.09 -0.07 0.15 -0.04 1.89 1.84 1fvhA1 ILE 438 HG12 -0.04 0.06 0.03 -0.04 1.49 1.50 1fvhA1 ILE 438 HG13 -0.07 -0.02 0.01 -0.04 1.21 1.09 1fvhA1 ILE 438 HG23 -0.04 -0.01 -0.17 -0.04 0.93 0.68 1fvhA1 ILE 438 HD13 -0.02 -0.01 -0.08 -0.04 0.88 0.73 1fvhA1 ASN 439 H -0.05 0.19 -0.01 -0.55 8.53 8.11 1fvhA1 ASN 439 HA 0.03 -0.03 0.30 -0.75 4.76 4.30 1fvhA1 ASN 439 HB2 0.26 0.08 0.13 -0.04 2.88 3.30 1fvhA1 ASN 439 HB3 0.21 0.00 0.02 -0.04 2.79 2.99 1fvhA1 ASN 439 HD21 -0.23 -0.03 -0.01 -0.04 7.03 6.72 1fvhA1 ASN 439 HD22 -0.04 -0.01 0.01 -0.04 7.74 7.67 1fvhA1 ASP 440 H 0.16 0.69 -0.35 -0.55 8.40 8.36 1fvhA1 ASP 440 HA 0.14 0.01 0.42 -0.75 4.63 4.44 1fvhA1 ASP 440 HB2 0.13 0.13 0.05 -0.04 2.71 2.98 1fvhA1 ASP 440 HB3 0.14 -0.05 0.03 -0.04 2.70 2.78 1fvhA1 MET 441 H 0.04 0.61 -0.15 -0.55 8.47 8.43 1fvhA1 MET 441 HA -0.02 -0.02 0.38 -0.75 4.52 4.10 1fvhA1 MET 441 HB2 -0.03 0.06 0.15 -0.04 2.15 2.29 1fvhA1 MET 441 HB3 -0.01 0.13 0.06 -0.04 2.03 2.16 1fvhA1 MET 441 HG2 -0.06 -0.01 -0.12 -0.04 2.63 2.40 1fvhA1 MET 441 HG3 -0.07 -0.08 -0.21 -0.04 2.56 2.16 1fvhA1 MET 441 HE3 -0.15 -0.02 0.03 -0.04 2.10 1.92 1fvhA1 GLN 442 H 0.03 0.35 -0.57 -0.55 8.47 7.74 1fvhA1 GLN 442 HA 0.02 0.27 0.40 -0.75 4.36 4.30 1fvhA1 GLN 442 HB2 0.04 0.00 0.16 -0.04 2.15 2.32 1fvhA1 GLN 442 HB3 0.07 0.06 0.08 -0.04 2.02 2.19 1fvhA1 GLN 442 HG2 0.05 0.00 0.05 -0.04 2.40 2.47 1fvhA1 GLN 442 HG3 0.04 0.06 0.18 -0.04 2.39 2.63 1fvhA1 GLN 442 HE21 0.04 -0.03 0.10 -0.04 6.97 7.04 1fvhA1 GLN 442 HE22 0.04 0.08 0.10 -0.04 7.69 7.87 1fvhA1 ASN 443 H 0.05 0.91 -0.27 -0.55 8.53 8.67 1fvhA1 ASN 443 HA 0.11 0.05 0.56 -0.75 4.76 4.73 1fvhA1 ASN 443 HB2 0.11 -0.00 0.10 -0.04 2.88 3.05 1fvhA1 ASN 443 HB3 0.16 0.06 0.23 -0.04 2.79 3.20 1fvhA1 ASN 443 HD21 0.09 -0.09 0.02 -0.04 7.03 7.01 1fvhA1 ASN 443 HD22 0.08 -0.02 -0.06 -0.04 7.74 7.70 1fvhA1 LEU 444 H -0.08 0.64 -0.12 -0.55 8.37 8.27 1fvhA1 LEU 444 HA -0.15 0.10 0.70 -0.75 4.35 4.24 1fvhA1 LEU 444 HB2 -0.29 0.17 0.12 -0.04 1.64 1.61 1fvhA1 LEU 444 HB3 -0.46 -0.19 0.11 -0.04 1.64 1.05 1fvhA1 LEU 444 HG -2.87 -0.03 -0.02 -0.04 1.64 -1.31 1fvhA1 LEU 444 HD13 -0.36 -0.01 -0.07 -0.04 0.93 0.45 1fvhA1 LEU 444 HD23 -0.49 -0.04 -0.10 -0.04 0.89 0.22 1fvhA1 GLY 445 H 0.08 0.33 -0.41 -0.55 8.43 7.88 1fvhA1 GLY 445 HA2 0.15 0.05 0.26 -0.51 4.01 3.96 1fvhA1 GLY 445 HA3 0.22 0.13 0.77 -0.51 4.01 4.62 1fvhA1 VAL 446 H -0.01 0.04 -0.10 -0.55 8.24 7.62 1fvhA1 VAL 446 HA 0.06 0.21 0.48 -0.75 4.13 4.12 1fvhA1 VAL 446 HB -0.04 -0.08 -0.19 -0.04 2.12 1.77 1fvhA1 VAL 446 HG13 -0.02 0.01 -0.17 -0.04 0.97 0.75 1fvhA1 VAL 446 HG23 -0.13 -0.00 -0.09 -0.04 0.95 0.69 1fvhA1 PRO 447 HA 0.03 0.05 0.56 -0.51 4.44 4.57 1fvhA1 PRO 447 HB2 0.03 -0.01 -0.15 -0.04 2.28 2.11 1fvhA1 PRO 447 HB3 0.03 0.06 -0.05 -0.04 2.02 2.01 1fvhA1 PRO 447 HG2 0.05 0.14 0.04 -0.04 2.03 2.21 1fvhA1 PRO 447 HG3 0.05 0.05 0.02 -0.04 2.03 2.10 1fvhA1 PRO 447 HD2 0.09 0.05 0.14 -0.04 3.68 3.92 1fvhA1 PRO 447 HD3 0.09 0.27 0.23 -0.04 3.65 4.19 1fvhA1 ILE 448 H 0.02 0.11 0.13 -0.55 8.25 7.96 1fvhA1 ILE 448 HA -0.01 0.23 0.94 -0.75 4.18 4.59 1fvhA1 ILE 448 HB -0.01 -0.09 -0.07 -0.04 1.89 1.69 1fvhA1 ILE 448 HG12 0.02 0.09 0.06 -0.04 1.49 1.61 1fvhA1 ILE 448 HG13 0.01 -0.05 -0.09 -0.04 1.21 1.04 1fvhA1 ILE 448 HG23 -0.01 0.03 -0.37 -0.04 0.93 0.55 1fvhA1 ILE 448 HD13 0.02 0.07 -0.16 -0.04 0.88 0.77 1fvhA1 ILE 449 H 0.02 0.15 0.10 -0.55 8.25 7.97 1fvhA1 ILE 449 HA -0.00 0.19 0.94 -0.75 4.18 4.56 1fvhA1 ILE 449 HB 0.02 0.07 0.20 -0.04 1.89 2.14 1fvhA1 ILE 449 HG12 0.01 -0.02 -0.10 -0.04 1.49 1.33 1fvhA1 ILE 449 HG13 0.03 0.03 0.01 -0.04 1.21 1.23 1fvhA1 ILE 449 HG23 0.01 -0.05 -0.10 -0.04 0.93 0.75 1fvhA1 ILE 449 HD13 -0.02 0.00 -0.12 -0.04 0.88 0.70 1fvhA1 GLN 450 H -0.00 1.00 0.22 -0.55 8.47 9.14 1fvhA1 GLN 450 HA 0.00 0.17 0.04 -0.75 4.36 3.82 1fvhA1 GLN 450 HB2 -0.00 -0.06 -0.58 -0.04 2.15 1.47 1fvhA1 GLN 450 HB3 0.00 -0.19 -0.00 -0.04 2.02 1.79 1fvhA1 GLN 450 HG2 0.00 -0.08 -0.01 -0.04 2.40 2.27 1fvhA1 GLN 450 HG3 0.00 0.09 0.02 -0.04 2.39 2.46 1fvhA1 GLN 450 HE21 -0.00 0.09 -0.04 -0.04 6.97 6.98 1fvhA1 GLN 450 HE22 0.00 -0.12 -0.03 -0.04 7.69 7.49 1fvhA1 ASP 451 H 0.01 0.01 0.05 -0.55 8.40 7.91 1fvhA1 ASP 451 HA 0.01 0.12 0.35 -0.75 4.63 4.36 1fvhA1 ASP 451 HB2 0.01 -0.09 0.13 -0.04 2.71 2.72 1fvhA1 ASP 451 HB3 0.01 -0.00 0.06 -0.04 2.70 2.72 1fvhA1 GLY 452 H 0.01 -0.00 -0.15 -0.55 8.43 7.75 1fvhA1 GLY 452 HA2 0.02 -0.04 0.34 -0.51 4.01 3.82 1fvhA1 GLY 452 HA3 0.02 0.22 0.43 -0.51 4.01 4.17 1fvhA1 GLY 453 H 0.01 -0.05 -1.39 -0.55 8.43 6.46 1fvhA1 GLY 453 HA2 0.01 -0.03 0.26 -0.51 4.01 3.73 1fvhA1 GLY 453 HA3 0.01 -0.01 0.33 -0.51 4.01 3.84 1fvhA1 ARG 454 H 0.01 0.07 -0.81 -0.55 8.46 7.18 1fvhA1 ARG 454 HA 0.01 0.10 0.67 -0.75 4.34 4.37 1fvhA1 ARG 454 HB2 0.01 -0.18 0.22 -0.04 1.90 1.91 1fvhA1 ARG 454 HB3 0.01 0.02 0.06 -0.04 1.80 1.85 1fvhA1 ARG 454 HG2 0.02 -0.06 0.00 -0.04 1.67 1.60 1fvhA1 ARG 454 HG3 0.02 0.20 -0.09 -0.04 1.67 1.75 1fvhA1 ARG 454 HD2 0.02 -0.00 0.06 -0.04 3.22 3.25 1fvhA1 ARG 454 HD3 0.02 -0.06 0.05 -0.04 3.22 3.20 1fvhA1 ARG 455 H 0.01 0.11 0.14 -0.55 8.46 8.17 1fvhA1 ARG 455 HA 0.01 0.14 0.83 -0.75 4.34 4.57 1fvhA1 ARG 455 HB2 0.01 0.04 0.03 -0.04 1.90 1.95 1fvhA1 ARG 455 HB3 0.01 0.01 0.10 -0.04 1.80 1.87 1fvhA1 ARG 455 HG2 0.01 -0.06 0.01 -0.04 1.67 1.59 1fvhA1 ARG 455 HG3 0.01 0.01 0.02 -0.04 1.67 1.66 1fvhA1 ARG 455 HD2 0.01 0.11 -0.29 -0.04 3.22 3.01 1fvhA1 ARG 455 HD3 0.01 -0.02 -0.06 -0.04 3.22 3.11 1fvhA1 LYS 456 H 0.01 0.06 0.13 -0.55 8.42 8.07 1fvhA1 LYS 456 HA 0.01 0.07 0.41 -0.75 4.32 4.06 1fvhA1 LYS 456 HB2 0.01 -0.07 0.16 -0.04 1.87 1.92 1fvhA1 LYS 456 HB3 0.01 0.02 -0.06 -0.04 1.79 1.72 1fvhA1 LYS 456 HG2 0.01 0.00 0.02 -0.04 1.46 1.45 1fvhA1 LYS 456 HG3 0.01 -0.05 0.01 -0.04 1.46 1.39 1fvhA1 LYS 456 HD2 0.01 -0.01 -0.09 -0.04 1.69 1.56 1fvhA1 LYS 456 HD3 0.01 0.01 0.05 -0.04 1.68 1.71 1fvhA1 LYS 456 HE2 0.01 0.11 0.04 -0.04 2.99 3.11 1fvhA1 LYS 456 HE3 0.01 -0.01 0.01 -0.04 2.99 2.96 1fvhA1 ILE 457 H 0.02 0.14 0.17 -0.55 8.25 8.03 1fvhA1 ILE 457 HA 0.03 0.15 0.73 -0.75 4.18 4.34 1fvhA1 ILE 457 HB 0.04 -0.06 0.12 -0.04 1.89 1.95 1fvhA1 ILE 457 HG12 0.03 -0.03 0.09 -0.04 1.49 1.53 1fvhA1 ILE 457 HG13 0.04 -0.01 -0.05 -0.04 1.21 1.15 1fvhA1 ILE 457 HG23 0.06 0.14 -0.00 -0.04 0.93 1.09 1fvhA1 ILE 457 HD13 0.04 -0.00 -0.06 -0.04 0.88 0.82 1fvhA1 PRO 458 HA -0.05 0.02 0.49 -0.51 4.44 4.39 1fvhA1 PRO 458 HB2 -0.08 -0.01 0.02 -0.04 2.28 2.16 1fvhA1 PRO 458 HB3 -0.02 0.01 0.10 -0.04 2.02 2.06 1fvhA1 PRO 458 HG2 0.01 0.03 0.16 -0.04 2.03 2.20 1fvhA1 PRO 458 HG3 0.02 -0.00 0.12 -0.04 2.03 2.13 1fvhA1 PRO 458 HD2 0.03 0.10 0.30 -0.04 3.68 4.08 1fvhA1 PRO 458 HD3 0.02 0.20 0.25 -0.04 3.65 4.08 1fvhA1 GLN 459 H -0.16 0.14 0.08 -0.55 8.47 7.98 1fvhA1 GLN 459 HA -0.55 0.25 0.96 -0.75 4.36 4.27 1fvhA1 GLN 459 HB2 -0.15 -0.03 0.24 -0.04 2.15 2.17 1fvhA1 GLN 459 HB3 -0.82 -0.06 0.10 -0.04 2.02 1.20 1fvhA1 GLN 459 HG2 -0.02 0.08 -0.19 -0.04 2.40 2.23 1fvhA1 GLN 459 HG3 -0.03 0.09 -0.05 -0.04 2.39 2.36 1fvhA1 GLN 459 HE21 0.25 0.45 0.19 -0.04 6.97 7.82 1fvhA1 GLN 459 HE22 0.18 -0.13 0.04 -0.04 7.69 7.75 1fvhA1 PRO 460 HA -0.37 0.10 0.39 -0.51 4.44 4.05 1fvhA1 PRO 460 HB2 -0.31 0.04 0.04 -0.04 2.28 2.01 1fvhA1 PRO 460 HB3 -0.18 0.02 0.06 -0.04 2.02 1.87 1fvhA1 PRO 460 HG2 -0.05 0.04 0.03 -0.04 2.03 2.01 1fvhA1 PRO 460 HG3 -0.21 0.01 -0.00 -0.04 2.03 1.78 1fvhA1 PRO 460 HD2 -0.22 0.14 0.12 -0.04 3.68 3.68 1fvhA1 PRO 460 HD3 -0.20 0.29 -0.61 -0.04 3.65 3.09 1fvhA1 TYR 461 H -0.99 0.15 -0.20 -0.55 8.29 6.70 1fvhA1 TYR 461 HA -0.88 0.05 0.41 -0.75 4.56 3.39 1fvhA1 TYR 461 HB2 -0.02 -0.16 0.15 -0.04 3.06 2.99 1fvhA1 TYR 461 HB3 -0.26 0.13 0.22 -0.04 2.98 3.03 1fvhA1 TYR 461 HD2 -0.29 0.16 -0.18 -0.04 7.15 6.80 1fvhA1 TYR 461 HE2 -0.32 0.13 -0.05 -0.04 6.85 6.57 1fvhA1 HIS 462 H -0.51 0.36 -0.47 -0.55 8.41 7.25 1fvhA1 HIS 462 HA 0.11 0.12 0.66 -0.75 4.63 4.77 1fvhA1 HIS 462 HB2 -0.52 0.18 0.14 -0.04 3.26 3.02 1fvhA1 HIS 462 HB3 -0.48 -0.14 0.02 -0.04 3.20 2.57 1fvhA1 HIS 462 HD2 -0.13 -0.00 0.08 -0.04 6.97 6.88 1fvhA1 HIS 462 HE1 0.05 -0.02 -0.11 -0.04 7.75 7.63 1fvhA1 THR 463 H 0.26 0.29 0.24 -0.55 8.28 8.53 1fvhA1 THR 463 HA -0.03 0.07 0.36 -0.75 4.39 4.03 1fvhA1 THR 463 HB 0.05 -0.02 0.10 -0.04 4.32 4.40 1fvhA1 THR 463 HG23 0.16 0.00 0.18 -0.04 1.22 1.52 1fvhA1 HIS 464 H 0.12 0.10 -0.17 -0.55 8.41 7.92 1fvhA1 HIS 464 HA -0.01 0.12 0.45 -0.75 4.63 4.43 1fvhA1 HIS 464 HB2 -0.04 -0.01 0.12 -0.04 3.26 3.30 1fvhA1 HIS 464 HB3 -0.04 -0.01 0.09 -0.04 3.20 3.19 1fvhA1 HIS 464 HD2 -0.06 -0.02 -0.13 -0.04 6.97 6.71 1fvhA1 HIS 464 HE1 -0.68 0.08 0.04 -0.04 7.75 7.14 1fvhA1 ASN 465 H -0.31 0.44 -0.53 -0.55 8.53 7.59 1fvhA1 ASN 465 HA -0.11 0.10 0.84 -0.75 4.76 4.83 1fvhA1 ASN 465 HB2 -0.35 0.20 0.09 -0.04 2.88 2.78 1fvhA1 ASN 465 HB3 -0.21 -0.10 0.13 -0.04 2.79 2.56 1fvhA1 ASN 465 HD21 -0.17 -0.06 -0.03 -0.04 7.03 6.73 1fvhA1 ASN 465 HD22 -0.34 0.37 0.02 -0.04 7.74 7.75 1fvhA1 ARG 466 H -0.09 0.27 -0.11 -0.55 8.46 7.98 1fvhA1 ARG 466 HA -0.00 0.06 0.82 -0.75 4.34 4.46 1fvhA1 ARG 466 HB2 -0.05 0.06 0.06 -0.04 1.90 1.93 1fvhA1 ARG 466 HB3 0.03 -0.13 0.08 -0.04 1.80 1.74 1fvhA1 ARG 466 HG2 -0.07 -0.07 -0.04 -0.04 1.67 1.45 1fvhA1 ARG 466 HG3 -0.19 0.26 -0.13 -0.04 1.67 1.57 1fvhA1 ARG 466 HD2 -0.17 -0.11 -0.23 -0.04 3.22 2.68 1fvhA1 ARG 466 HD3 -0.10 -0.06 -0.47 -0.04 3.22 2.55 1fvhA1 LYS 467 H 0.02 0.02 0.12 -0.55 8.42 8.02 1fvhA1 LYS 467 HA -0.00 0.01 0.36 -0.75 4.32 3.93 1fvhA1 LYS 467 HB2 -0.01 -0.01 0.11 -0.04 1.87 1.91 1fvhA1 LYS 467 HB3 -0.00 -0.03 0.13 -0.04 1.79 1.85 1fvhA1 LYS 467 HG2 -0.02 -0.09 -0.13 -0.04 1.46 1.18 1fvhA1 LYS 467 HG3 -0.02 0.25 -0.35 -0.04 1.46 1.30 1fvhA1 LYS 467 HD2 -0.03 0.02 -0.03 -0.04 1.69 1.61 1fvhA1 LYS 467 HD3 -0.03 -0.02 -0.00 -0.04 1.68 1.58 1fvhA1 LYS 467 HE2 -0.05 -0.07 -0.09 -0.04 2.99 2.74 1fvhA1 LYS 467 HE3 -0.04 0.04 -0.08 -0.04 2.99 2.86 1fvhA1 GLU 468 H -0.01 0.02 0.16 -0.55 8.60 8.23 1fvhA1 GLU 468 HA -0.00 0.15 0.49 -0.75 4.29 4.18 1fvhA1 GLU 468 HB2 0.00 0.04 0.09 -0.04 2.09 2.18 1fvhA1 GLU 468 HB3 -0.00 -0.06 0.11 -0.04 1.99 2.00 1fvhA1 GLU 468 HG2 -0.01 -0.07 -0.52 -0.04 2.34 1.70 1fvhA1 GLU 468 HG3 0.00 0.07 -0.03 -0.04 2.34 2.34 1fvhA1 ARG 469 H 0.00 0.24 0.17 -0.55 8.46 8.32 1fvhA1 ARG 469 HA -0.02 0.11 0.75 -0.75 4.34 4.44 1fvhA1 ARG 469 HB2 0.01 0.02 -0.01 -0.04 1.90 1.88 1fvhA1 ARG 469 HB3 -0.00 -0.02 0.03 -0.04 1.80 1.77 1fvhA1 ARG 469 HG2 -0.04 0.06 -0.26 -0.04 1.67 1.39 1fvhA1 ARG 469 HG3 -0.04 0.17 -0.28 -0.04 1.67 1.47 1fvhA1 ARG 469 HD2 -0.10 0.00 -0.10 -0.04 3.22 2.98 1fvhA1 ARG 469 HD3 -0.08 -0.01 -0.06 -0.04 3.22 3.03 1fvhA1 GLN 470 H -0.02 0.12 0.10 -0.55 8.47 8.12 1fvhA1 GLN 470 HA -0.04 0.04 0.44 -0.75 4.36 4.05 1fvhA1 GLN 470 HB2 -0.04 0.02 0.09 -0.04 2.15 2.17 1fvhA1 GLN 470 HB3 -0.03 0.03 0.15 -0.04 2.02 2.13 1fvhA1 GLN 470 HG2 -0.12 -0.59 -0.34 -0.04 2.40 1.31 1fvhA1 GLN 470 HG3 -0.06 0.03 -0.01 -0.04 2.39 2.31 1fvhA1 GLN 470 HE21 -0.01 -0.08 0.07 -0.04 6.97 6.91 1fvhA1 GLN 470 HE22 -0.08 0.59 0.17 -0.04 7.69 8.32 1fvhA1 ALA 471 H -0.07 0.12 0.14 -0.55 8.40 8.04 1fvhA1 ALA 471 HA -0.25 0.18 0.44 -0.75 4.34 3.95 1fvhA1 ALA 471 HB3 -0.05 0.01 0.12 -0.04 1.41 1.45 1fvhA1 ASP 472 H -0.22 0.10 -0.73 -0.55 8.40 7.01 1fvhA1 ASP 472 HA -0.20 0.18 0.86 -0.75 4.63 4.71 1fvhA1 ASP 472 HB2 -0.10 -0.04 0.05 -0.04 2.71 2.58 1fvhA1 ASP 472 HB3 -0.09 -0.00 -0.08 -0.04 2.70 2.49 1fvhA1 HIS 473 H -0.18 0.29 0.01 -0.55 8.41 7.98 1fvhA1 HIS 473 HA 0.02 0.14 0.74 -0.75 4.63 4.77 1fvhA1 HIS 473 HB2 0.04 -0.05 -0.04 -0.04 3.26 3.18 1fvhA1 HIS 473 HB3 0.08 0.14 0.01 -0.04 3.20 3.38 1fvhA1 HIS 473 HD2 0.03 0.03 -0.09 -0.04 6.97 6.90 1fvhA1 HIS 473 HE1 0.04 0.01 -0.06 -0.04 7.75 7.69 1fvhA1 THR 474 H 0.03 0.21 0.09 -0.55 8.28 8.06 1fvhA1 THR 474 HA -0.17 0.11 0.38 -0.75 4.39 3.96 1fvhA1 THR 474 HB -0.18 0.03 0.07 -0.04 4.32 4.19 1fvhA1 THR 474 HG23 -0.00 0.02 0.06 -0.04 1.22 1.26 1fvhA1 TYR 475 H 0.12 0.18 -0.57 -0.55 8.29 7.47 1fvhA1 TYR 475 HA -0.01 0.16 0.72 -0.75 4.56 4.67 1fvhA1 TYR 475 HB2 0.02 0.03 -0.02 -0.04 3.06 3.04 1fvhA1 TYR 475 HB3 0.01 -0.12 -0.04 -0.04 2.98 2.79 1fvhA1 TYR 475 HD2 -0.14 -0.00 -0.05 -0.04 7.15 6.91 1fvhA1 TYR 475 HE2 -0.20 0.01 -0.04 -0.04 6.85 6.59 1fvhA1 GLN 476 H 0.14 0.18 0.07 -0.55 8.47 8.32 1fvhA1 GLN 476 HA 0.13 0.20 0.35 -0.75 4.36 4.29 1fvhA1 GLN 476 HB2 0.11 -0.04 0.09 -0.04 2.15 2.27 1fvhA1 GLN 476 HB3 0.09 0.01 -0.02 -0.04 2.02 2.07 1fvhA1 GLN 476 HG2 0.09 0.08 0.01 -0.04 2.40 2.54 1fvhA1 GLN 476 HG3 0.07 0.02 0.02 -0.04 2.39 2.45 1fvhA1 GLN 476 HE21 0.05 0.01 -0.00 -0.04 6.97 6.98 1fvhA1 GLN 476 HE22 0.07 -0.02 -0.00 -0.04 7.69 7.70 1fvhA1 MET 477 H 0.18 0.05 -0.20 -0.55 8.47 7.96 1fvhA1 MET 477 HA 0.11 0.21 0.61 -0.75 4.52 4.69 1fvhA1 MET 477 HB2 0.19 -0.02 -0.03 -0.04 2.15 2.25 1fvhA1 MET 477 HB3 0.15 0.03 0.09 -0.04 2.03 2.25 1fvhA1 MET 477 HG2 0.16 -0.09 -0.04 -0.04 2.63 2.62 1fvhA1 MET 477 HG3 0.21 0.03 -0.01 -0.04 2.56 2.75 1fvhA1 MET 477 HE3 0.06 -0.02 0.01 -0.04 2.10 2.11 1fvhA1 SER 478 H 0.18 0.29 -0.67 -0.55 8.46 7.71 1fvhA1 SER 478 HA 0.14 0.14 0.77 -0.75 4.49 4.79 1fvhA1 SER 478 HB2 0.27 0.02 0.11 -0.04 3.95 4.30 1fvhA1 SER 478 HB3 0.19 0.02 0.05 -0.04 3.93 4.16 1fvhA1 ARG 479 H 0.05 0.10 -0.14 -0.55 8.46 7.92 1fvhA1 ARG 479 HA -0.40 0.18 0.76 -0.75 4.34 4.12 1fvhA1 ARG 479 HB2 -0.10 -0.02 -0.04 -0.04 1.90 1.69 1fvhA1 ARG 479 HB3 -0.73 0.05 -0.04 -0.04 1.80 1.04 1fvhA1 ARG 479 HG2 -0.45 0.00 -0.07 -0.04 1.67 1.11 1fvhA1 ARG 479 HG3 -0.06 0.04 -0.14 -0.04 1.67 1.47 1fvhA1 ARG 479 HD2 -0.03 0.04 -0.13 -0.04 3.22 3.06 1fvhA1 ARG 479 HD3 0.11 0.02 -0.04 -0.04 3.22 3.27 1fvhA1 TRP 480 H 0.22 -0.06 -0.03 -0.55 7.97 7.56 1fvhA1 TRP 480 HA -0.01 0.15 0.45 -0.75 4.62 4.46 1fvhA1 TRP 480 HB2 0.00 0.05 -0.02 -0.04 3.23 3.22 1fvhA1 TRP 480 HB3 0.00 -0.07 -0.00 -0.04 3.23 3.12 1fvhA1 TRP 480 HD1 0.00 -0.06 -0.36 -0.04 7.22 6.76 1fvhA1 TRP 480 HE1 -0.02 -0.21 -0.19 -0.04 10.20 9.74 1fvhA1 TRP 480 HE3 0.03 0.00 -0.21 -0.04 7.59 7.37 1fvhA1 TRP 480 HZ2 -0.04 -0.29 0.07 -0.04 7.44 7.14 1fvhA1 TRP 480 HZ3 0.06 0.22 0.10 -0.04 7.13 7.47 1fvhA1 TRP 480 HH2 0.01 0.27 0.11 -0.04 7.19 7.55 1fvhA1 THR 481 H -0.86 0.27 0.12 -0.55 8.28 7.26 1fvhA1 THR 481 HA -0.24 0.15 0.75 -0.75 4.39 4.30 1fvhA1 THR 481 HB -0.36 0.03 0.06 -0.04 4.32 4.00 1fvhA1 THR 481 HG23 -0.17 0.02 -0.12 -0.04 1.22 0.90 1fvhA1 PRO 482 HA 0.16 0.03 0.46 -0.51 4.44 4.58 1fvhA1 PRO 482 HB2 0.00 -0.09 0.07 -0.04 2.28 2.23 1fvhA1 PRO 482 HB3 0.13 -0.04 0.01 -0.04 2.02 2.08 1fvhA1 PRO 482 HG2 0.07 0.19 -0.08 -0.04 2.03 2.17 1fvhA1 PRO 482 HG3 0.25 0.01 -0.07 -0.04 2.03 2.18 1fvhA1 PRO 482 HD2 -0.07 0.11 0.17 -0.04 3.68 3.85 1fvhA1 PRO 482 HD3 -0.02 0.28 0.12 -0.04 3.65 3.99 1fvhA1 TYR 483 H 0.22 0.15 0.21 -0.55 8.29 8.31 1fvhA1 TYR 483 HA -0.11 0.17 0.38 -0.75 4.56 4.25 1fvhA1 TYR 483 HB2 0.07 0.16 0.19 -0.04 3.06 3.44 1fvhA1 TYR 483 HB3 0.04 -0.07 0.11 -0.04 2.98 3.02 1fvhA1 TYR 483 HD2 0.11 0.06 -0.02 -0.04 7.15 7.26 1fvhA1 TYR 483 HE2 0.20 0.03 -0.05 -0.04 6.85 6.98 1fvhA1 MET 484 H 0.12 -0.05 -0.50 -0.55 8.47 7.49 1fvhA1 MET 484 HA -0.01 0.12 0.27 -0.75 4.52 4.15 1fvhA1 MET 484 HB2 0.26 0.01 -0.01 -0.04 2.15 2.36 1fvhA1 MET 484 HB3 0.05 -0.08 -0.01 -0.04 2.03 1.94 1fvhA1 MET 484 HG2 -0.03 -0.07 -0.10 -0.04 2.63 2.40 1fvhA1 MET 484 HG3 -0.08 0.06 -0.36 -0.04 2.56 2.14 1fvhA1 MET 484 HE3 -0.03 -0.01 -0.14 -0.04 2.10 1.88 1fvhA1 LYS 485 H -0.07 0.23 -0.24 -0.55 8.42 7.78 1fvhA1 LYS 485 HA -0.12 0.04 0.30 -0.75 4.32 3.78 1fvhA1 LYS 485 HB2 -0.08 -0.08 0.08 -0.04 1.87 1.75 1fvhA1 LYS 485 HB3 -0.11 0.15 0.01 -0.04 1.79 1.79 1fvhA1 LYS 485 HG2 -0.10 0.04 -0.17 -0.04 1.46 1.19 1fvhA1 LYS 485 HG3 -0.09 -0.01 0.03 -0.04 1.46 1.35 1fvhA1 LYS 485 HD2 -0.06 -0.06 0.01 -0.04 1.69 1.54 1fvhA1 LYS 485 HD3 -0.08 0.04 -0.05 -0.04 1.68 1.55 1fvhA1 LYS 485 HE2 -0.05 0.05 -0.07 -0.04 2.99 2.88 1fvhA1 LYS 485 HE3 -0.05 -0.03 -0.03 -0.04 2.99 2.83 1fvhA1 ASP 486 H -0.15 0.24 -0.32 -0.55 8.40 7.63 1fvhA1 ASP 486 HA -0.12 0.04 0.35 -0.75 4.63 4.15 1fvhA1 ASP 486 HB2 -0.19 0.19 0.13 -0.04 2.71 2.80 1fvhA1 ASP 486 HB3 -0.07 -0.00 -0.04 -0.04 2.70 2.55 1fvhA1 ILE 487 H -0.39 0.42 -0.22 -0.55 8.25 7.52 1fvhA1 ILE 487 HA -0.38 0.01 0.32 -0.75 4.18 3.36 1fvhA1 ILE 487 HB -0.36 0.18 0.10 -0.04 1.89 1.77 1fvhA1 ILE 487 HG12 -0.74 0.25 0.07 -0.04 1.49 1.03 1fvhA1 ILE 487 HG13 -0.50 -0.11 -0.07 -0.04 1.21 0.49 1fvhA1 ILE 487 HG23 -0.53 -0.02 -0.18 -0.04 0.93 0.16 1fvhA1 ILE 487 HD13 -0.61 -0.01 -0.07 -0.04 0.88 0.15 1fvhA1 MET 488 H -0.23 0.48 -0.16 -0.55 8.47 8.00 1fvhA1 MET 488 HA -0.25 0.00 0.32 -0.75 4.52 3.84 1fvhA1 MET 488 HB2 -0.16 0.05 0.14 -0.04 2.15 2.13 1fvhA1 MET 488 HB3 -0.17 0.01 -0.09 -0.04 2.03 1.74 1fvhA1 MET 488 HG2 -0.16 0.02 -0.08 -0.04 2.63 2.37 1fvhA1 MET 488 HG3 -0.19 0.01 -0.10 -0.04 2.56 2.24 1fvhA1 MET 488 HE3 -0.13 -0.00 -0.18 -0.04 2.10 1.75 1fvhA1 GLU 489 H -0.17 0.68 -0.03 -0.55 8.60 8.53 1fvhA1 GLU 489 HA -0.19 0.07 0.38 -0.75 4.29 3.80 1fvhA1 GLU 489 HB2 -0.12 0.04 0.09 -0.04 2.09 2.06 1fvhA1 GLU 489 HB3 -0.11 -0.00 0.01 -0.04 1.99 1.84 1fvhA1 GLU 489 HG2 -0.10 0.00 0.02 -0.04 2.34 2.23 1fvhA1 GLU 489 HG3 -0.12 0.01 0.05 -0.04 2.34 2.24 1fvhA1 ALA 490 H -0.19 0.55 -0.25 -0.55 8.40 7.97 1fvhA1 ALA 490 HA -0.13 0.05 0.36 -0.75 4.34 3.87 1fvhA1 ALA 490 HB3 -0.13 0.06 -0.05 -0.04 1.41 1.24 1fvhA1 ALA 491 H -0.27 0.63 -0.12 -0.55 8.40 8.09 1fvhA1 ALA 491 HA -0.22 -0.04 0.39 -0.75 4.34 3.72 1fvhA1 ALA 491 HB3 -0.31 0.02 0.03 -0.04 1.41 1.11 1fvhA1 VAL 492 H -0.48 0.62 -0.10 -0.55 8.24 7.74 1fvhA1 VAL 492 HA -1.99 0.01 0.30 -0.75 4.13 1.69 1fvhA1 VAL 492 HB -0.44 0.09 0.07 -0.04 2.12 1.80 1fvhA1 VAL 492 HG13 -0.54 0.01 -0.13 -0.04 0.97 0.27 1fvhA1 VAL 492 HG23 -0.64 -0.04 -0.09 -0.04 0.95 0.13 1fvhA1 GLU 493 H -0.29 0.19 -0.81 -0.55 8.60 7.14 1fvhA1 GLU 493 HA -0.09 0.18 0.82 -0.75 4.29 4.44 1fvhA1 GLU 493 HB2 -0.11 0.02 0.06 -0.04 2.09 2.02 1fvhA1 GLU 493 HB3 -0.05 -0.09 0.14 -0.04 1.99 1.95 1fvhA1 GLU 493 HG2 -0.08 0.04 -0.03 -0.04 2.34 2.23 1fvhA1 GLU 493 HG3 -0.15 0.12 -0.07 -0.04 2.34 2.20 1fvhA1 ASP 494 H -0.19 0.58 -0.22 -0.55 8.40 8.02 1fvhA1 ASP 494 HA -0.01 0.04 0.40 -0.75 4.63 4.29 1fvhA1 ASP 494 HB2 0.05 0.09 -0.50 -0.04 2.71 2.32 1fvhA1 ASP 494 HB3 0.04 -0.08 0.27 -0.04 2.70 2.90 1fvhA1 LYS 495 H -0.09 0.77 -0.15 -0.55 8.42 8.40 1fvhA1 LYS 495 HA -0.01 0.16 0.80 -0.75 4.32 4.52 1fvhA1 LYS 495 HB2 -0.06 0.03 0.08 -0.04 1.87 1.89 1fvhA1 LYS 495 HB3 -0.02 -0.11 0.18 -0.04 1.79 1.80 1fvhA1 LYS 495 HG2 -0.01 -0.01 -0.06 -0.04 1.46 1.34 1fvhA1 LYS 495 HG3 -0.02 0.21 -0.19 -0.04 1.46 1.42 1fvhA1 LYS 495 HD2 -0.03 0.01 -0.01 -0.04 1.69 1.62 1fvhA1 LYS 495 HD3 -0.02 -0.08 0.01 -0.04 1.68 1.56 1fvhA1 LYS 495 HE2 -0.00 -0.02 -0.01 -0.04 2.99 2.92 1fvhA1 LYS 495 HE3 -0.01 0.06 -0.00 -0.04 2.99 3.00 1fvhA1 LEU 496 H -0.04 0.22 -0.45 -0.55 8.37 7.56 1fvhA1 LEU 496 HA -0.06 0.08 0.69 -0.75 4.35 4.31 1fvhA1 LEU 496 HB2 -0.18 -0.04 -0.21 -0.04 1.64 1.17 1fvhA1 LEU 496 HB3 -0.10 0.07 -0.01 -0.04 1.64 1.56 1fvhA1 LEU 496 HG -0.12 0.04 -0.28 -0.04 1.64 1.23 1fvhA1 LEU 496 HD13 -0.44 0.01 -0.01 -0.04 0.93 0.46 1fvhA1 LEU 496 HD23 -0.38 0.01 -0.10 -0.04 0.89 0.37 1fvhA1 ASP 497 H 0.09 0.17 0.06 -0.55 8.40 8.18 1fvhA1 ASP 497 HA 0.07 0.05 0.30 -0.75 4.63 4.28 1fvhA1 ASP 497 HB2 0.16 0.12 0.13 -0.04 2.71 3.08 1fvhA1 ASP 497 HB3 0.26 -0.08 0.11 -0.04 2.70 2.94 1fvhA1 THR 498 H 0.04 0.21 0.18 -0.55 8.28 8.17 1fvhA1 THR 498 HA -0.01 0.27 0.11 -0.75 4.39 4.01 1fvhA1 THR 498 HB 0.06 -0.08 0.08 -0.04 4.32 4.34 1fvhA1 THR 498 HG23 0.15 0.08 0.07 -0.04 1.22 1.47 1fvhA1 ARG 499 H -0.06 0.06 -0.28 -0.55 8.46 7.62 1fvhA1 ARG 499 HA -0.15 0.10 0.39 -0.75 4.34 3.92 1fvhA1 ARG 499 HB2 -0.13 -0.02 0.07 -0.04 1.90 1.79 1fvhA1 ARG 499 HB3 -0.33 0.01 -0.03 -0.04 1.80 1.41 1fvhA1 ARG 499 HG2 -0.45 0.02 -0.01 -0.04 1.67 1.20 1fvhA1 ARG 499 HG3 -0.17 0.00 0.08 -0.04 1.67 1.54 1fvhA1 ARG 499 HD2 -0.16 0.01 -0.02 -0.04 3.22 3.02 1fvhA1 ARG 499 HD3 -0.11 0.01 0.00 -0.04 3.22 3.08 1fvhA1 HIS 500 H -0.09 0.20 -0.46 -0.55 8.41 7.52 1fvhA1 HIS 500 HA -0.25 0.14 0.95 -0.75 4.63 4.71 1fvhA1 HIS 500 HB2 -0.26 0.06 0.00 -0.04 3.26 3.03 1fvhA1 HIS 500 HB3 -0.57 -0.05 0.07 -0.04 3.20 2.61 1fvhA1 HIS 500 HD2 0.01 -0.01 -0.06 -0.04 6.97 6.87 1fvhA1 HIS 500 HE1 -0.03 0.01 -0.02 -0.04 7.75 7.66 1fvhA1 TYR 501 H -0.07 0.18 -0.05 -0.55 8.29 7.79 1fvhA1 TYR 501 HA -0.19 0.37 0.90 -0.75 4.56 4.89 1fvhA1 TYR 501 HB2 -0.12 0.09 -0.07 -0.04 3.06 2.91 1fvhA1 TYR 501 HB3 -0.19 -0.04 0.02 -0.04 2.98 2.74 1fvhA1 TYR 501 HD2 -0.04 0.04 -0.18 -0.04 7.15 6.93 1fvhA1 TYR 501 HE2 0.01 -0.04 -0.08 -0.04 6.85 6.70 1fvhA1 PRO 502 HA -0.10 0.02 0.51 -0.51 4.44 4.36 1fvhA1 PRO 502 HB2 -0.11 0.06 0.04 -0.04 2.28 2.22 1fvhA1 PRO 502 HB3 -0.12 0.12 0.14 -0.04 2.02 2.12 1fvhA1 PRO 502 HG2 -1.10 -0.06 -0.13 -0.04 2.03 0.70 1fvhA1 PRO 502 HG3 -0.36 -0.01 -0.04 -0.04 2.03 1.57 1fvhA1 PRO 502 HD2 -0.47 0.25 -0.07 -0.04 3.68 3.35 1fvhA1 PRO 502 HD3 -0.26 0.10 -0.31 -0.04 3.65 3.14 1fvhA1 PHE 503 H 0.18 0.09 0.20 -0.55 8.34 8.26 1fvhA1 PHE 503 HA 0.03 0.44 0.88 -0.75 4.62 5.21 1fvhA1 PHE 503 HB2 0.01 -0.18 0.00 -0.04 3.15 2.95 1fvhA1 PHE 503 HB3 0.03 -0.08 0.00 -0.04 3.06 2.97 1fvhA1 PHE 503 HD2 0.01 -0.07 -0.16 -0.04 7.28 7.03 1fvhA1 PHE 503 HE2 0.02 0.07 -0.05 -0.04 7.38 7.38 1fvhA1 PHE 503 HZ 0.04 0.07 -0.03 -0.04 7.32 7.35 1fvhA1 LEU 504 H 0.23 0.49 0.13 -0.55 8.37 8.67 1fvhA1 LEU 504 HA 0.31 0.09 0.41 -0.75 4.35 4.40 1fvhA1 LEU 504 HB2 0.11 0.00 0.06 -0.04 1.64 1.78 1fvhA1 LEU 504 HB3 0.23 -0.03 -0.04 -0.04 1.64 1.76 1fvhA1 LEU 504 HG 0.14 0.01 -0.07 -0.04 1.64 1.68 1fvhA1 LEU 504 HD13 0.10 -0.02 -0.10 -0.04 0.93 0.86 1fvhA1 LEU 504 HD23 0.03 -0.01 -0.19 -0.04 0.89 0.68 1fvhA1 ASN 505 H 0.20 -0.02 -0.47 -0.55 8.53 7.70 1fvhA1 ASN 505 HA 0.07 0.20 0.88 -0.75 4.76 5.16 1fvhA1 ASN 505 HB2 0.07 -0.03 0.03 -0.04 2.88 2.91 1fvhA1 ASN 505 HB3 0.02 0.05 0.06 -0.04 2.79 2.88 1fvhA1 ASN 505 HD21 0.04 0.02 -0.04 -0.04 7.03 7.00 1fvhA1 ASN 505 HD22 0.04 -0.01 -0.01 -0.04 7.74 7.72 1fvhA1 GLY 506 H 0.19 0.03 -0.23 -0.55 8.43 7.88 1fvhA1 GLY 506 HA2 0.12 -0.01 0.36 -0.51 4.01 3.96 1fvhA1 GLY 506 HA3 0.05 0.13 0.50 -0.51 4.01 4.18 1fvhA1 GLY 507 H 0.04 0.11 0.12 -0.55 8.43 8.15 1fvhA1 GLY 507 HA2 -0.04 0.01 0.36 -0.51 4.01 3.83 1fvhA1 GLY 507 HA3 -0.11 0.08 0.53 -0.51 4.01 4.00 1fvhA1 GLY 508 H -0.35 0.20 0.12 -0.55 8.43 7.84 1fvhA1 GLY 508 HA2 -0.59 0.09 0.19 -0.51 4.01 3.19 1fvhA1 GLY 508 HA3 -1.86 0.10 0.19 -0.51 4.01 1.93 1fvhA1 LYS 534 HA -0.00 -0.04 0.15 -0.75 4.32 3.67 1fvhA1 LYS 534 HB2 -0.00 -0.05 0.07 -0.04 1.87 1.85 1fvhA1 LYS 534 HB3 -0.01 -0.01 0.01 -0.04 1.79 1.74 1fvhA1 LYS 534 HG2 -0.01 0.01 0.17 -0.04 1.46 1.58 1fvhA1 LYS 534 HG3 -0.00 0.00 0.09 -0.04 1.46 1.50 1fvhA1 LYS 534 HD2 -0.00 -0.02 0.03 -0.04 1.69 1.66 1fvhA1 LYS 534 HD3 -0.01 -0.01 0.02 -0.04 1.68 1.64 1fvhA1 LYS 534 HE2 -0.01 -0.00 0.04 -0.04 2.99 2.98 1fvhA1 LYS 534 HE3 -0.00 0.01 0.03 -0.04 2.99 2.99 1fvhA1 SER 535 H -0.02 0.35 0.18 -0.55 8.46 8.43 1fvhA1 SER 535 HA -0.05 0.05 0.38 -0.75 4.49 4.12 1fvhA1 SER 535 HB2 -0.08 -0.06 0.06 -0.04 3.95 3.83 1fvhA1 SER 535 HB3 -0.04 0.12 0.03 -0.04 3.93 4.00 1fvhA1 GLY 536 H -0.13 0.23 0.11 -0.55 8.43 8.10 1fvhA1 GLY 536 HA2 -0.10 0.23 0.73 -0.51 4.01 4.36 1fvhA1 GLY 536 HA3 -0.18 -0.21 0.18 -0.51 4.01 3.29 1fvhA1 PRO 537 HA -0.41 0.12 -1.96 -0.51 4.44 1.68 1fvhA1 PRO 537 HB2 -3.11 0.02 0.03 -0.04 2.28 -0.83 1fvhA1 PRO 537 HB3 -0.90 -0.06 0.03 -0.04 2.02 1.05 1fvhA1 PRO 537 HG2 -0.84 0.04 0.06 -0.04 2.03 1.26 1fvhA1 PRO 537 HG3 -0.49 0.08 -1.07 -0.04 2.03 0.51 1fvhA1 PRO 537 HD2 -1.20 0.03 0.22 -0.04 3.68 2.69 1fvhA1 PRO 537 HD3 -0.45 0.16 -0.10 -0.04 3.65 3.21 1fvhA1 ARG 538 H -0.18 0.12 0.04 -0.55 8.46 7.89 1fvhA1 ARG 538 HA 0.14 0.28 1.10 -0.75 4.34 5.10 1fvhA1 ARG 538 HB2 0.01 -0.07 0.06 -0.04 1.90 1.86 1fvhA1 ARG 538 HB3 0.05 0.02 -0.01 -0.04 1.80 1.82 1fvhA1 ARG 538 HG2 0.01 0.09 -0.06 -0.04 1.67 1.67 1fvhA1 ARG 538 HG3 -0.06 -0.12 -0.23 -0.04 1.67 1.22 1fvhA1 ARG 538 HD2 -0.02 -0.02 -0.08 -0.04 3.22 3.05 1fvhA1 ARG 538 HD3 -0.00 -0.04 -0.08 -0.04 3.22 3.05 1fvhA1 LEU 539 H 0.26 0.55 0.21 -0.55 8.37 8.85 1fvhA1 LEU 539 HA 0.24 0.23 1.00 -0.75 4.35 5.07 1fvhA1 LEU 539 HB2 0.08 0.05 -0.08 -0.04 1.64 1.65 1fvhA1 LEU 539 HB3 0.07 -0.07 0.13 -0.04 1.64 1.73 1fvhA1 LEU 539 HG -0.07 -0.07 -0.22 -0.04 1.64 1.24 1fvhA1 LEU 539 HD13 -0.08 0.05 -0.11 -0.04 0.93 0.75 1fvhA1 LEU 539 HD23 -0.26 -0.02 -0.07 -0.04 0.89 0.51 1fvhA1 ILE 540 H 0.09 0.74 0.26 -0.55 8.25 8.80 1fvhA1 ILE 540 HA 0.09 0.25 0.88 -0.75 4.18 4.64 1fvhA1 ILE 540 HB 0.07 -0.08 0.13 -0.04 1.89 1.97 1fvhA1 ILE 540 HG12 0.05 0.08 -0.14 -0.04 1.49 1.44 1fvhA1 ILE 540 HG13 0.01 0.01 -0.13 -0.04 1.21 1.05 1fvhA1 ILE 540 HG23 0.18 -0.02 -0.20 -0.04 0.93 0.86 1fvhA1 ILE 540 HD13 0.05 -0.02 -0.26 -0.04 0.88 0.61 1fvhA1 ILE 541 H 0.02 0.70 0.41 -0.55 8.25 8.83 1fvhA1 ILE 541 HA -0.01 0.30 1.04 -0.75 4.18 4.75 1fvhA1 ILE 541 HB -0.12 -0.08 0.10 -0.04 1.89 1.76 1fvhA1 ILE 541 HG12 -0.14 0.04 -0.15 -0.04 1.49 1.20 1fvhA1 ILE 541 HG13 -0.08 0.06 -0.36 -0.04 1.21 0.79 1fvhA1 ILE 541 HG23 -0.20 -0.01 -0.20 -0.04 0.93 0.48 1fvhA1 ILE 541 HD13 -0.19 -0.02 -0.15 -0.04 0.88 0.48 1fvhA1 PHE 542 H 0.11 0.58 0.23 -0.55 8.34 8.71 1fvhA1 PHE 542 HA -0.14 0.50 1.09 -0.75 4.62 5.32 1fvhA1 PHE 542 HB2 0.15 0.02 -0.18 -0.04 3.15 3.10 1fvhA1 PHE 542 HB3 0.09 -0.00 -0.01 -0.04 3.06 3.10 1fvhA1 PHE 542 HD2 0.04 -0.00 -0.35 -0.04 7.28 6.93 1fvhA1 PHE 542 HE2 -0.05 -0.01 -0.36 -0.04 7.38 6.91 1fvhA1 PHE 542 HZ 0.04 -0.09 -0.16 -0.04 7.32 7.07 1fvhA1 VAL 543 H -0.92 0.50 0.32 -0.55 8.24 7.60 1fvhA1 VAL 543 HA -0.34 0.31 1.04 -0.75 4.13 4.39 1fvhA1 VAL 543 HB -0.36 -0.04 -0.01 -0.04 2.12 1.67 1fvhA1 VAL 543 HG13 -0.11 -0.03 -0.45 -0.04 0.97 0.34 1fvhA1 VAL 543 HG23 -0.24 0.00 -0.26 -0.04 0.95 0.41 1fvhA1 VAL 544 H -0.36 0.65 0.22 -0.55 8.24 8.21 1fvhA1 VAL 544 HA -0.33 -0.11 0.73 -0.75 4.13 3.66 1fvhA1 VAL 544 HB -0.47 -0.01 0.06 -0.04 2.12 1.67 1fvhA1 VAL 544 HG13 -0.53 0.04 0.13 -0.04 0.97 0.57 1fvhA1 VAL 544 HG23 -1.35 -0.01 -0.04 -0.04 0.95 -0.49 1fvhA1 GLY 545 H -0.11 -0.12 0.27 -0.55 8.43 7.92 1fvhA1 GLY 545 HA2 0.35 0.01 0.28 -0.51 4.01 4.14 1fvhA1 GLY 545 HA3 0.11 0.18 0.88 -0.51 4.01 4.67 1fvhA1 GLY 546 H -0.27 -0.12 0.19 -0.55 8.43 7.68 1fvhA1 GLY 546 HA2 -0.60 0.22 0.50 -0.51 4.01 3.61 1fvhA1 GLY 546 HA3 -0.66 0.14 0.58 -0.51 4.01 3.56 1fvhA1 ILE 547 H -0.32 0.24 0.36 -0.55 8.25 7.97 1fvhA1 ILE 547 HA -0.15 0.18 0.66 -0.75 4.18 4.11 1fvhA1 ILE 547 HB -0.17 -0.01 -0.05 -0.04 1.89 1.62 1fvhA1 ILE 547 HG12 -0.27 -0.03 -0.10 -0.04 1.49 1.06 1fvhA1 ILE 547 HG13 -0.25 -0.06 -0.06 -0.04 1.21 0.80 1fvhA1 ILE 547 HG23 -0.24 0.02 -0.28 -0.04 0.93 0.40 1fvhA1 ILE 547 HD13 -0.20 0.02 -0.23 -0.04 0.88 0.42 1fvhA1 SER 548 H -0.11 0.12 0.08 -0.55 8.46 8.01 1fvhA1 SER 548 HA -0.21 0.31 0.69 -0.75 4.49 4.53 1fvhA1 SER 548 HB2 -0.02 0.03 0.08 -0.04 3.95 4.00 1fvhA1 SER 548 HB3 -0.07 0.14 -0.05 -0.04 3.93 3.91 1fvhA1 TYR 549 H 0.04 0.31 0.15 -0.55 8.29 8.23 1fvhA1 TYR 549 HA 0.01 0.15 0.51 -0.75 4.56 4.48 1fvhA1 TYR 549 HB2 0.00 0.06 0.17 -0.04 3.06 3.25 1fvhA1 TYR 549 HB3 0.00 -0.05 0.03 -0.04 2.98 2.92 1fvhA1 TYR 549 HD2 -0.02 -0.01 0.03 -0.04 7.15 7.11 1fvhA1 TYR 549 HE2 -0.03 0.06 -0.03 -0.04 6.85 6.81 1fvhA1 SER 550 H 0.08 0.13 -0.19 -0.55 8.46 7.94 1fvhA1 SER 550 HA 0.09 0.15 0.44 -0.75 4.49 4.41 1fvhA1 SER 550 HB2 0.12 0.10 0.04 -0.04 3.95 4.17 1fvhA1 SER 550 HB3 0.10 0.03 0.04 -0.04 3.93 4.06 1fvhA1 GLU 551 H 0.01 0.12 -0.46 -0.55 8.60 7.72 1fvhA1 GLU 551 HA -0.00 0.13 0.59 -0.75 4.29 4.26 1fvhA1 GLU 551 HB2 -0.05 0.09 0.03 -0.04 2.09 2.12 1fvhA1 GLU 551 HB3 -0.02 0.09 -0.05 -0.04 1.99 1.97 1fvhA1 GLU 551 HG2 0.06 -0.01 -0.08 -0.04 2.34 2.27 1fvhA1 GLU 551 HG3 0.02 -0.12 -0.08 -0.04 2.34 2.12 1fvhA1 MET 552 H -0.02 0.36 -0.11 -0.55 8.47 8.15 1fvhA1 MET 552 HA -0.07 0.10 0.35 -0.75 4.52 4.15 1fvhA1 MET 552 HB2 0.12 0.03 0.10 -0.04 2.15 2.36 1fvhA1 MET 552 HB3 0.18 -0.00 -0.04 -0.04 2.03 2.12 1fvhA1 MET 552 HG2 -0.02 0.03 -0.06 -0.04 2.63 2.54 1fvhA1 MET 552 HG3 -0.10 0.03 -0.06 -0.04 2.56 2.39 1fvhA1 MET 552 HE3 0.30 0.00 -0.08 -0.04 2.10 2.27 1fvhA1 ARG 553 H 0.06 0.30 -0.46 -0.55 8.46 7.81 1fvhA1 ARG 553 HA -0.17 0.06 0.40 -0.75 4.34 3.88 1fvhA1 ARG 553 HB2 0.07 0.04 0.10 -0.04 1.90 2.07 1fvhA1 ARG 553 HB3 0.01 0.07 0.05 -0.04 1.80 1.90 1fvhA1 ARG 553 HG2 -0.14 0.00 -0.10 -0.04 1.67 1.40 1fvhA1 ARG 553 HG3 -0.26 -0.05 0.05 -0.04 1.67 1.38 1fvhA1 ARG 553 HD2 0.03 0.12 0.03 -0.04 3.22 3.36 1fvhA1 ARG 553 HD3 0.06 -0.10 0.01 -0.04 3.22 3.15 1fvhA1 SER 554 H -0.03 0.19 -0.51 -0.55 8.46 7.56 1fvhA1 SER 554 HA -0.06 0.06 0.49 -0.75 4.49 4.23 1fvhA1 SER 554 HB2 -0.06 0.09 0.07 -0.04 3.95 4.01 1fvhA1 SER 554 HB3 -0.07 -0.04 0.04 -0.04 3.93 3.81 1fvhA1 ALA 555 H -0.13 0.33 -0.33 -0.55 8.40 7.72 1fvhA1 ALA 555 HA -0.14 0.05 0.34 -0.75 4.34 3.84 1fvhA1 ALA 555 HB3 -0.29 0.07 0.02 -0.04 1.41 1.17 1fvhA1 TYR 556 H -0.16 0.22 -0.29 -0.55 8.29 7.51 1fvhA1 TYR 556 HA -0.03 0.10 0.44 -0.75 4.56 4.32 1fvhA1 TYR 556 HB2 -0.29 0.08 0.10 -0.04 3.06 2.91 1fvhA1 TYR 556 HB3 -0.05 0.02 -0.01 -0.04 2.98 2.90 1fvhA1 TYR 556 HD2 -0.14 0.06 0.04 -0.04 7.15 7.07 1fvhA1 TYR 556 HE2 0.08 -0.06 -0.10 -0.04 6.85 6.73 1fvhA1 GLU 557 H -0.01 0.36 -0.14 -0.55 8.60 8.25 1fvhA1 GLU 557 HA 0.00 0.04 0.32 -0.75 4.29 3.89 1fvhA1 GLU 557 HB2 -0.04 -0.02 0.23 -0.04 2.09 2.22 1fvhA1 GLU 557 HB3 -0.03 0.01 -0.02 -0.04 1.99 1.91 1fvhA1 GLU 557 HG2 -0.01 0.00 -0.01 -0.04 2.34 2.28 1fvhA1 GLU 557 HG3 -0.04 -0.02 0.04 -0.04 2.34 2.28 1fvhA1 VAL 558 H -0.05 0.63 -0.07 -0.55 8.24 8.19 1fvhA1 VAL 558 HA -0.05 -0.05 0.28 -0.75 4.13 3.56 1fvhA1 VAL 558 HB -0.09 0.08 0.03 -0.04 2.12 2.10 1fvhA1 VAL 558 HG13 -0.11 -0.00 -0.24 -0.04 0.97 0.57 1fvhA1 VAL 558 HG23 -0.10 -0.01 0.03 -0.04 0.95 0.84 1fvhA1 THR 559 H -0.02 0.29 -0.54 -0.55 8.28 7.46 1fvhA1 THR 559 HA 0.03 0.10 0.43 -0.75 4.39 4.19 1fvhA1 THR 559 HB 0.03 0.04 0.23 -0.04 4.32 4.59 1fvhA1 THR 559 HG23 0.06 0.04 -0.02 -0.04 1.22 1.27 1fvhA1 GLN 560 H 0.04 0.78 0.09 -0.55 8.47 8.84 1fvhA1 GLN 560 HA 0.04 0.08 0.47 -0.75 4.36 4.19 1fvhA1 GLN 560 HB2 0.04 -0.06 0.21 -0.04 2.15 2.30 1fvhA1 GLN 560 HB3 0.07 -0.06 0.12 -0.04 2.02 2.10 1fvhA1 GLN 560 HG2 0.04 0.31 0.06 -0.04 2.40 2.77 1fvhA1 GLN 560 HG3 0.03 -0.06 -0.00 -0.04 2.39 2.32 1fvhA1 GLN 560 HE21 0.04 -0.07 -0.08 -0.04 6.97 6.83 1fvhA1 GLN 560 HE22 0.02 -0.02 -0.09 -0.04 7.69 7.56 1fvhA1 THR 561 H 0.02 0.35 -1.03 -0.55 8.28 7.08 1fvhA1 THR 561 HA 0.02 0.05 0.49 -0.75 4.39 4.19 1fvhA1 THR 561 HB 0.01 0.14 -0.08 -0.04 4.32 4.35 1fvhA1 THR 561 HG23 -0.01 0.05 -0.08 -0.04 1.22 1.15 1fvhA1 ALA 562 H -0.01 0.26 0.09 -0.55 8.40 8.19 1fvhA1 ALA 562 HA -0.02 0.01 0.39 -0.75 4.34 3.97 1fvhA1 ALA 562 HB3 -0.06 0.02 0.17 -0.04 1.41 1.50 1fvhA1 LYS 563 H 0.03 0.29 -1.37 -0.55 8.42 6.82 1fvhA1 LYS 563 HA 0.11 0.05 0.30 -0.75 4.32 4.03 1fvhA1 LYS 563 HB2 0.05 0.04 0.04 -0.04 1.87 1.96 1fvhA1 LYS 563 HB3 0.08 -0.28 0.16 -0.04 1.79 1.71 1fvhA1 LYS 563 HG2 0.05 -0.05 0.05 -0.04 1.46 1.48 1fvhA1 LYS 563 HG3 0.06 0.30 0.11 -0.04 1.46 1.89 1fvhA1 LYS 563 HD2 0.03 -0.04 -0.19 -0.04 1.69 1.45 1fvhA1 LYS 563 HD3 0.03 -0.01 0.12 -0.04 1.68 1.78 1fvhA1 LYS 563 HE2 0.03 -0.01 0.04 -0.04 2.99 3.01 1fvhA1 LYS 563 HE3 0.03 -0.07 -0.00 -0.04 2.99 2.91 1fvhA1 ASN 564 H 0.17 -0.86 0.42 -0.55 8.53 7.71 1fvhA1 ASN 564 HA 0.12 0.05 0.41 -0.75 4.76 4.58 1fvhA1 ASN 564 HB2 0.20 0.20 0.19 -0.04 2.88 3.42 1fvhA1 ASN 564 HB3 0.71 -0.01 -0.02 -0.04 2.79 3.43 1fvhA1 ASN 564 HD21 0.10 -0.05 0.10 -0.04 7.03 7.14 1fvhA1 ASN 564 HD22 0.10 -0.02 0.16 -0.04 7.74 7.94 1fvhA1 ASN 565 H 0.13 -0.42 0.30 -0.55 8.53 7.99 1fvhA1 ASN 565 HA 0.03 -0.01 0.33 -0.75 4.76 4.36 1fvhA1 ASN 565 HB2 -0.02 0.06 0.15 -0.04 2.88 3.03 1fvhA1 ASN 565 HB3 -0.13 0.22 0.36 -0.04 2.79 3.20 1fvhA1 ASN 565 HD21 -0.01 -0.04 0.01 -0.04 7.03 6.95 1fvhA1 ASN 565 HD22 0.01 -0.10 0.05 -0.04 7.74 7.65 1fvhA1 TRP 566 H 0.35 -0.15 -0.18 -0.55 7.97 7.45 1fvhA1 TRP 566 HA -0.01 0.41 0.28 -0.75 4.62 4.54 1fvhA1 TRP 566 HB2 -0.02 -0.05 -0.01 -0.04 3.23 3.11 1fvhA1 TRP 566 HB3 -0.02 -0.08 -0.19 -0.04 3.23 2.90 1fvhA1 TRP 566 HD1 -0.01 -0.13 -0.06 -0.04 7.22 6.98 1fvhA1 TRP 566 HE1 -0.00 0.01 0.04 -0.04 10.20 10.20 1fvhA1 TRP 566 HE3 -0.02 -0.06 -0.40 -0.04 7.59 7.07 1fvhA1 TRP 566 HZ2 0.01 0.01 -0.05 -0.04 7.44 7.36 1fvhA1 TRP 566 HZ3 -0.01 -0.02 -0.48 -0.04 7.13 6.58 1fvhA1 TRP 566 HH2 0.01 0.14 -0.11 -0.04 7.19 7.20 1fvhA1 GLU 567 H 0.21 0.50 0.34 -0.55 8.60 9.10 1fvhA1 GLU 567 HA 0.10 0.11 0.88 -0.75 4.29 4.63 1fvhA1 GLU 567 HB2 0.05 0.13 -0.02 -0.04 2.09 2.22 1fvhA1 GLU 567 HB3 0.05 0.00 0.14 -0.04 1.99 2.14 1fvhA1 GLU 567 HG2 0.05 -0.10 -0.32 -0.04 2.34 1.93 1fvhA1 GLU 567 HG3 0.04 -0.02 -0.06 -0.04 2.34 2.26 1fvhA1 VAL 568 H 0.04 0.20 0.09 -0.55 8.24 8.01 1fvhA1 VAL 568 HA 0.06 0.15 0.93 -0.75 4.13 4.51 1fvhA1 VAL 568 HB -0.07 0.10 0.18 -0.04 2.12 2.29 1fvhA1 VAL 568 HG13 -0.10 -0.02 -0.17 -0.04 0.97 0.65 1fvhA1 VAL 568 HG23 -0.04 0.00 -0.14 -0.04 0.95 0.73 1fvhA1 ILE 569 H 0.04 0.48 0.25 -0.55 8.25 8.47 1fvhA1 ILE 569 HA -0.02 0.25 0.99 -0.75 4.18 4.65 1fvhA1 ILE 569 HB 0.09 -0.03 0.06 -0.04 1.89 1.97 1fvhA1 ILE 569 HG12 0.05 -0.02 -0.12 -0.04 1.49 1.36 1fvhA1 ILE 569 HG13 0.04 0.03 -0.07 -0.04 1.21 1.17 1fvhA1 ILE 569 HG23 0.23 -0.02 -0.31 -0.04 0.93 0.79 1fvhA1 ILE 569 HD13 0.04 -0.02 -0.27 -0.04 0.88 0.59 1fvhA1 LEU 570 H -0.08 0.60 0.34 -0.55 8.37 8.67 1fvhA1 LEU 570 HA -0.12 0.29 1.15 -0.75 4.35 4.91 1fvhA1 LEU 570 HB2 -0.15 0.02 -0.08 -0.04 1.64 1.39 1fvhA1 LEU 570 HB3 -0.16 -0.08 0.10 -0.04 1.64 1.46 1fvhA1 LEU 570 HG -0.22 -0.03 -0.33 -0.04 1.64 1.01 1fvhA1 LEU 570 HD13 -0.17 0.07 -0.10 -0.04 0.93 0.70 1fvhA1 LEU 570 HD23 -0.13 -0.04 -0.26 -0.04 0.89 0.42 1fvhA1 GLY 571 H -0.32 0.91 0.43 -0.55 8.43 8.90 1fvhA1 GLY 571 HA2 -0.95 0.31 1.09 -0.51 4.01 3.95 1fvhA1 GLY 571 HA3 -2.75 -0.00 0.27 -0.51 4.01 1.02 1fvhA1 SER 572 H -0.37 0.48 0.29 -0.55 8.46 8.32 1fvhA1 SER 572 HA -1.22 0.15 0.80 -0.75 4.49 3.47 1fvhA1 SER 572 HB2 -0.41 0.06 -0.38 -0.04 3.95 3.18 1fvhA1 SER 572 HB3 -0.31 -0.01 -0.13 -0.04 3.93 3.44 1fvhA1 THR 573 H -0.35 0.32 0.29 -0.55 8.28 7.99 1fvhA1 THR 573 HA 0.31 0.11 0.45 -0.75 4.39 4.51 1fvhA1 THR 573 HB 0.23 0.22 0.01 -0.04 4.32 4.73 1fvhA1 THR 573 HG23 0.20 0.05 0.09 -0.04 1.22 1.52 1fvhA1 HIS 574 H -0.19 0.13 -0.01 -0.55 8.41 7.79 1fvhA1 HIS 574 HA -0.04 0.10 0.56 -0.75 4.63 4.49 1fvhA1 HIS 574 HB2 -0.04 0.10 -0.00 -0.04 3.26 3.29 1fvhA1 HIS 574 HB3 0.00 -0.02 -0.39 -0.04 3.20 2.76 1fvhA1 HIS 574 HD2 -0.06 0.16 -0.31 -0.04 6.97 6.72 1fvhA1 HIS 574 HE1 0.22 0.06 -0.23 -0.04 7.75 7.76 1fvhA1 ILE 575 H -0.06 0.17 0.11 -0.55 8.25 7.92 1fvhA1 ILE 575 HA -0.25 0.08 0.75 -0.75 4.18 4.00 1fvhA1 ILE 575 HB -0.15 -0.00 0.13 -0.04 1.89 1.84 1fvhA1 ILE 575 HG12 -0.31 -0.10 0.03 -0.04 1.49 1.06 1fvhA1 ILE 575 HG13 -0.78 0.06 -0.03 -0.04 1.21 0.42 1fvhA1 ILE 575 HG23 -0.29 0.06 -0.09 -0.04 0.93 0.56 1fvhA1 ILE 575 HD13 -0.14 0.00 -0.19 -0.04 0.88 0.51 1fvhA1 LEU 576 H -0.27 0.66 0.37 -0.55 8.37 8.58 1fvhA1 LEU 576 HA -0.05 0.13 0.57 -0.75 4.35 4.24 1fvhA1 LEU 576 HB2 -0.18 0.00 -0.36 -0.04 1.64 1.06 1fvhA1 LEU 576 HB3 -0.10 0.04 -0.08 -0.04 1.64 1.45 1fvhA1 LEU 576 HG -0.35 -0.15 -0.05 -0.04 1.64 1.06 1fvhA1 LEU 576 HD13 -0.11 0.07 -0.22 -0.04 0.93 0.63 1fvhA1 LEU 576 HD23 -0.01 0.04 -0.05 -0.04 0.89 0.83 1fvhA1 THR 577 H -0.03 0.35 0.20 -0.55 8.28 8.26 1fvhA1 THR 577 HA 0.09 0.14 0.58 -0.75 4.39 4.45 1fvhA1 THR 577 HB 0.11 0.02 -0.18 -0.04 4.32 4.22 1fvhA1 THR 577 HG23 0.04 -0.13 -0.08 -0.04 1.22 1.00 1fvhA1 PRO 578 HA -0.10 0.37 0.56 -0.51 4.44 4.76 1fvhA1 PRO 578 HB2 -0.14 -0.12 0.17 -0.04 2.28 2.15 1fvhA1 PRO 578 HB3 -0.18 0.22 0.10 -0.04 2.02 2.12 1fvhA1 PRO 578 HG2 -0.17 0.04 0.03 -0.04 2.03 1.89 1fvhA1 PRO 578 HG3 -0.10 0.14 -0.08 -0.04 2.03 1.95 1fvhA1 PRO 578 HD2 0.00 0.12 0.21 -0.04 3.68 3.98 1fvhA1 PRO 578 HD3 0.04 0.06 0.20 -0.04 3.65 3.90 1fvhA1 GLU 579 H -0.05 0.21 -0.01 -0.55 8.60 8.21 1fvhA1 GLU 579 HA -0.22 0.06 0.36 -0.75 4.29 3.73 1fvhA1 GLU 579 HB2 0.04 0.04 0.10 -0.04 2.09 2.23 1fvhA1 GLU 579 HB3 0.07 0.02 -0.02 -0.04 1.99 2.02 1fvhA1 GLU 579 HG2 0.15 -0.06 0.03 -0.04 2.34 2.42 1fvhA1 GLU 579 HG3 0.05 0.05 0.06 -0.04 2.34 2.46 1fvhA1 GLY 580 H -0.02 0.06 -0.34 -0.55 8.43 7.58 1fvhA1 GLY 580 HA2 -0.04 0.04 0.37 -0.51 4.01 3.87 1fvhA1 GLY 580 HA3 -0.01 0.04 0.28 -0.51 4.01 3.80 1fvhA1 LEU 581 H -0.09 0.75 -0.03 -0.55 8.37 8.46 1fvhA1 LEU 581 HA -0.14 -0.03 0.44 -0.75 4.35 3.87 1fvhA1 LEU 581 HB2 -0.08 -0.10 0.10 -0.04 1.64 1.52 1fvhA1 LEU 581 HB3 -0.11 0.25 0.18 -0.04 1.64 1.92 1fvhA1 LEU 581 HG -0.07 -0.01 -0.26 -0.04 1.64 1.25 1fvhA1 LEU 581 HD13 0.03 -0.02 0.01 -0.04 0.93 0.91 1fvhA1 LEU 581 HD23 -0.09 0.00 -0.12 -0.04 0.89 0.64 1fvhA1 LEU 582 H -0.19 0.46 -0.14 -0.55 8.37 7.95 1fvhA1 LEU 582 HA -0.17 0.04 0.35 -0.75 4.35 3.81 1fvhA1 LEU 582 HB2 -0.46 0.19 0.24 -0.04 1.64 1.56 1fvhA1 LEU 582 HB3 -0.65 -0.06 -0.04 -0.04 1.64 0.85 1fvhA1 LEU 582 HG -0.26 -0.02 -0.03 -0.04 1.64 1.29 1fvhA1 LEU 582 HD13 -0.16 0.05 -0.06 -0.04 0.93 0.71 1fvhA1 LEU 582 HD23 -0.45 -0.02 -0.02 -0.04 0.89 0.35 1fvhA1 ARG 583 H -0.18 0.45 -0.21 -0.55 8.46 7.96 1fvhA1 ARG 583 HA -0.05 0.02 0.44 -0.75 4.34 3.99 1fvhA1 ARG 583 HB2 -0.09 0.16 0.22 -0.04 1.90 2.16 1fvhA1 ARG 583 HB3 -0.05 -0.04 -0.00 -0.04 1.80 1.67 1fvhA1 ARG 583 HG2 0.07 -0.02 0.01 -0.04 1.67 1.69 1fvhA1 ARG 583 HG3 -0.02 0.08 -0.04 -0.04 1.67 1.66 1fvhA1 ARG 583 HD2 0.02 0.00 -0.01 -0.04 3.22 3.19 1fvhA1 ARG 583 HD3 0.09 -0.02 -0.03 -0.04 3.22 3.21 1fvhA1 ASP 584 H -0.24 0.64 0.00 -0.55 8.40 8.25 1fvhA1 ASP 584 HA -0.35 -0.04 0.35 -0.75 4.63 3.83 1fvhA1 ASP 584 HB2 -0.73 0.19 0.20 -0.04 2.71 2.32 1fvhA1 ASP 584 HB3 -2.20 -0.06 -0.02 -0.04 2.70 0.38 1fvhA1 LEU 585 H -0.19 0.66 -0.27 -0.55 8.37 8.02 1fvhA1 LEU 585 HA 0.18 -0.02 0.25 -0.75 4.35 4.01 1fvhA1 LEU 585 HB2 -0.05 0.12 0.14 -0.04 1.64 1.81 1fvhA1 LEU 585 HB3 0.04 -0.03 -0.00 -0.04 1.64 1.61 1fvhA1 LEU 585 HG -0.01 0.01 -0.01 -0.04 1.64 1.59 1fvhA1 LEU 585 HD13 0.11 -0.03 -0.10 -0.04 0.93 0.87 1fvhA1 LEU 585 HD23 0.01 -0.03 -0.16 -0.04 0.89 0.67 1fvhA1 ARG 586 H -0.05 0.30 -0.55 -0.55 8.46 7.61 1fvhA1 ARG 586 HA 0.08 -0.06 0.39 -0.75 4.34 4.00 1fvhA1 ARG 586 HB2 0.03 -0.04 0.16 -0.04 1.90 2.01 1fvhA1 ARG 586 HB3 0.01 0.26 0.28 -0.04 1.80 2.31 1fvhA1 ARG 586 HG2 0.07 -0.08 -0.02 -0.04 1.67 1.60 1fvhA1 ARG 586 HG3 0.06 0.08 -0.27 -0.04 1.67 1.49 1fvhA1 ARG 586 HD2 0.11 0.02 0.02 -0.04 3.22 3.33 1fvhA1 ARG 586 HD3 0.13 -0.07 -0.02 -0.04 3.22 3.22 1fvhA1 LYS 587 H 0.00 0.43 -0.07 -0.55 8.42 8.22 1fvhA1 LYS 587 HA 0.03 0.17 -0.16 -0.75 4.32 3.61 1fvhA1 LYS 587 HB2 0.03 0.06 -0.03 -0.04 1.87 1.89 1fvhA1 LYS 587 HB3 0.03 -0.05 0.07 -0.04 1.79 1.80 1fvhA1 LYS 587 HG2 0.01 0.06 0.02 -0.04 1.46 1.50 1fvhA1 LYS 587 HG3 -0.02 0.13 0.03 -0.04 1.46 1.56 1fvhA1 LYS 587 HD2 -0.06 -0.04 -0.04 -0.04 1.69 1.51 1fvhA1 LYS 587 HD3 -0.01 -0.01 -0.01 -0.04 1.68 1.61 1fvhA1 LYS 587 HE2 -0.01 0.03 -0.03 -0.04 2.99 2.93 1fvhA1 LYS 587 HE3 -0.05 -0.02 -0.11 -0.04 2.99 2.77 1fvhA1 ILE 588 H 0.10 0.35 -0.83 -0.55 8.25 7.33 1fvhA1 ILE 588 HA 0.10 0.06 0.63 -0.75 4.18 4.22 1fvhA1 ILE 588 HB 0.16 -0.01 -0.04 -0.04 1.89 1.96 1fvhA1 ILE 588 HG12 0.13 0.01 0.00 -0.04 1.49 1.60 1fvhA1 ILE 588 HG13 0.09 0.02 -0.17 -0.04 1.21 1.11 1fvhA1 ILE 588 HG23 0.22 0.15 -0.08 -0.04 0.93 1.18 1fvhA1 ILE 588 HD13 0.08 0.01 -0.03 -0.04 0.88 0.89 1fvhA1 SER 589 H 0.08 0.33 -0.01 -0.55 8.46 8.31 1fvhA1 SER 589 HA -0.08 0.11 0.69 -0.75 4.49 4.46 1fvhA1 SER 589 HB2 0.11 0.05 0.10 -0.04 3.95 4.16 1fvhA1 SER 589 HB3 -0.14 -0.03 0.24 -0.04 3.93 3.96 1fvhA1 ASN 590 H 0.01 0.19 -0.91 -0.55 8.53 7.27 1fvhA1 ASN 590 HA -0.02 -0.01 0.26 -0.75 4.76 4.24 1fvhA1 ASN 590 HB2 0.03 0.31 -0.01 -0.04 2.88 3.17 1fvhA1 ASN 590 HB3 0.05 0.11 -0.17 -0.04 2.79 2.74 1fvhA1 ASN 590 HD21 0.03 -0.05 -0.03 -0.04 7.03 6.94 1fvhA1 ASN 590 HD22 0.03 -0.04 0.06 -0.04 7.74 7.74 1fvhA1 PRO 591 HA 0.03 0.17 0.24 -0.51 4.44 4.37 1fvhA1 PRO 591 HB2 0.01 -0.03 0.06 -0.04 2.28 2.28 1fvhA1 PRO 591 HB3 0.02 0.09 0.10 -0.04 2.02 2.18 1fvhA1 PRO 591 HG2 -0.00 0.00 -0.05 -0.04 2.03 1.94 1fvhA1 PRO 591 HG3 -0.00 0.03 0.02 -0.04 2.03 2.03 1fvhA1 PRO 591 HD2 -0.02 0.09 -0.01 -0.04 3.68 3.70 1fvhA1 PRO 591 HD3 -0.00 0.27 0.00 -0.04 3.65 3.89