============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. TRP 9 1.040 1.410 19.561 -56.825 -99.200 -91.000 TRP6 9 1.020 1.683 19.039 -54.542 -99.200 -91.000 HIS 10 0.900 -6.312 25.969 -57.251 -99.200 -91.000 HIS 11 0.900 -1.075 26.332 -64.367 -99.200 -91.000 PHE 13 1.000 -9.159 20.043 -60.376 -99.200 -91.000 HIS 25 0.900 -11.201 12.819 -53.260 -99.200 -91.000 HIS 39 0.900 -0.327 16.089 -39.588 -99.200 -91.000 TRP 42 1.040 2.579 14.395 -43.098 -99.200 -91.000 TRP6 42 1.020 3.370 13.658 -45.190 -99.200 -91.000 TYR 44 0.840 9.428 10.038 -36.967 -99.200 -91.000 PHE 55 1.000 5.868 19.546 -58.226 -99.200 -91.000 PHE 81 1.000 -2.879 1.673 -66.511 -99.200 -91.000 TYR 86 0.840 -5.798 1.314 -71.539 -99.200 -91.000 TYR 99 0.840 -8.216 -10.260 -64.381 -99.200 -91.000 PHE 119 1.000 1.823 14.276 -50.676 -99.200 -91.000 HIS 121 0.900 -8.477 14.499 -49.639 -99.200 -91.000 HIS 132 0.900 -14.423 3.154 -63.626 -99.200 -91.000 HIS 149 0.900 0.946 1.578 -62.352 -99.200 -91.000 HIS 163 0.900 -0.422 12.768 -58.777 -99.200 -91.000 TYR 164 0.840 0.586 6.248 -63.315 -99.200 -91.000 HIS 166 0.900 -4.606 1.761 -61.976 -99.200 -91.000 HIS 167 0.900 -13.234 0.470 -56.762 -99.200 -91.000 HIS 181 0.900 7.216 -3.526 -62.507 -99.200 -91.000 PHE 182 1.000 3.010 2.231 -59.188 -99.200 -91.000 HIS 190 0.900 9.197 9.098 -62.009 -99.200 -91.000 PHE 191 1.000 4.252 14.064 -56.471 -99.200 -91.000 PHE 196 1.000 -5.691 -1.843 -57.703 -99.200 -91.000 HIS 205 0.900 -7.756 -15.867 -51.596 -99.200 -91.000 HIS 208 0.900 -1.875 -4.674 -53.668 -99.200 -91.000 PHE 213 1.000 10.473 -3.934 -57.934 -99.200 -91.000 HIS 219 0.900 10.183 13.458 -53.654 -99.200 -91.000 HIS 220 0.900 5.028 5.034 -55.681 -99.200 -91.000 PHE 221 1.000 5.275 11.527 -50.996 -99.200 -91.000 HIS 223 0.900 -4.344 6.533 -48.116 -99.200 -91.000 PHE 235 1.000 -3.517 -14.202 -47.660 -99.200 -91.000 HIS 237 0.900 1.717 -10.933 -49.773 -99.200 -91.000 PHE 239 1.000 7.677 -8.114 -51.968 -99.200 -91.000 HIS 248 0.900 1.428 1.539 -50.470 -99.200 -91.000 TRP 280 1.040 -7.355 3.995 -40.923 -99.200 -91.000 TRP6 280 1.020 -7.151 6.019 -39.725 -99.200 -91.000 HIS 283 0.900 -9.625 -6.581 -36.974 -99.200 -91.000 PHE 287 1.000 -17.815 -13.622 -33.992 -99.200 -91.000 HIS 294 0.900 3.542 -3.549 -42.527 -99.200 -91.000 PHE 306 1.000 4.559 -0.216 -39.286 -99.200 -91.000 HIS 315 0.900 -21.212 -3.419 -28.598 -99.200 -91.000 TYR 345 0.840 -11.789 2.744 -29.083 -99.200 -91.000 HIS 353 0.900 1.408 -2.239 -30.887 -99.200 -91.000 PHE 366 1.000 32.158 -17.877 -34.386 -99.200 -91.000 TYR 367 0.840 27.797 -20.064 -34.282 -99.200 -91.000 TYR 384 0.840 18.892 -12.323 -51.278 -99.200 -91.000 PHE 386 1.000 14.853 -8.535 -41.071 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1vh4B1 ASN 6 HA -0.07 -0.01 0.11 -0.75 4.76 4.04 1vh4B1 ASN 6 HB2 -0.06 -0.13 0.11 -0.04 2.88 2.76 1vh4B1 ASN 6 HB3 -0.05 0.08 0.06 -0.04 2.79 2.83 1vh4B1 ASN 6 HD21 -0.06 0.04 -0.01 -0.04 7.03 6.96 1vh4B1 ASN 6 HD22 -0.05 0.06 0.01 -0.04 7.74 7.72 1vh4B1 SER 7 H -0.09 0.12 0.09 -0.55 8.46 8.03 1vh4B1 SER 7 HA -0.17 0.12 0.47 -0.75 4.49 4.17 1vh4B1 SER 7 HB2 -0.10 -0.04 0.15 -0.04 3.95 3.92 1vh4B1 SER 7 HB3 -0.13 0.03 0.03 -0.04 3.93 3.81 1vh4B1 SER 8 H -0.10 0.10 -0.05 -0.55 8.46 7.87 1vh4B1 SER 8 HA -0.13 0.07 0.32 -0.75 4.49 4.00 1vh4B1 SER 8 HB2 -0.07 -0.00 0.05 -0.04 3.95 3.88 1vh4B1 SER 8 HB3 -0.07 0.05 0.01 -0.04 3.93 3.88 1vh4B1 ASN 9 H -0.13 0.12 -0.50 -0.55 8.53 7.48 1vh4B1 ASN 9 HA -0.11 -0.01 0.39 -0.75 4.76 4.27 1vh4B1 ASN 9 HB2 -0.09 -0.10 0.07 -0.04 2.88 2.72 1vh4B1 ASN 9 HB3 -0.13 0.41 0.13 -0.04 2.79 3.16 1vh4B1 ASN 9 HD21 -0.07 -0.07 -0.06 -0.04 7.03 6.79 1vh4B1 ASN 9 HD22 -0.08 0.15 -0.03 -0.04 7.74 7.74 1vh4B1 ALA 10 H -0.29 0.47 -0.01 -0.55 8.40 8.02 1vh4B1 ALA 10 HA -0.51 0.09 0.50 -0.75 4.34 3.66 1vh4B1 ALA 10 HB3 -0.82 0.05 0.12 -0.04 1.41 0.73 1vh4B1 LEU 11 H -0.45 0.44 -0.13 -0.55 8.37 7.69 1vh4B1 LEU 11 HA -0.27 0.02 0.42 -0.75 4.35 3.76 1vh4B1 LEU 11 HB2 -0.17 0.09 0.11 -0.04 1.64 1.63 1vh4B1 LEU 11 HB3 -0.09 -0.01 -0.06 -0.04 1.64 1.44 1vh4B1 LEU 11 HG -0.24 0.05 -0.01 -0.04 1.64 1.40 1vh4B1 LEU 11 HD13 -0.11 -0.05 -0.03 -0.04 0.93 0.70 1vh4B1 LEU 11 HD23 0.05 0.00 -0.11 -0.04 0.89 0.79 1vh4B1 GLN 12 H -0.18 0.64 -0.14 -0.55 8.47 8.24 1vh4B1 GLN 12 HA 0.06 -0.01 0.46 -0.75 4.36 4.12 1vh4B1 GLN 12 HB2 -0.05 0.02 0.11 -0.04 2.15 2.19 1vh4B1 GLN 12 HB3 -0.08 0.16 0.23 -0.04 2.02 2.28 1vh4B1 GLN 12 HG2 -0.01 -0.00 -0.17 -0.04 2.40 2.18 1vh4B1 GLN 12 HG3 0.00 -0.04 0.02 -0.04 2.39 2.34 1vh4B1 GLN 12 HE21 -0.02 -0.03 -0.03 -0.04 6.97 6.85 1vh4B1 GLN 12 HE22 -0.01 -0.00 -0.03 -0.04 7.69 7.61 1vh4B1 GLN 13 H -0.19 0.66 -0.08 -0.55 8.47 8.32 1vh4B1 GLN 13 HA 0.03 -0.01 0.41 -0.75 4.36 4.03 1vh4B1 GLN 13 HB2 -0.23 0.15 0.18 -0.04 2.15 2.21 1vh4B1 GLN 13 HB3 0.09 -0.08 0.04 -0.04 2.02 2.03 1vh4B1 GLN 13 HG2 -0.04 -0.08 0.07 -0.04 2.40 2.30 1vh4B1 GLN 13 HG3 -0.09 0.28 0.13 -0.04 2.39 2.67 1vh4B1 GLN 13 HE21 -0.03 0.47 0.20 -0.04 6.97 7.57 1vh4B1 GLN 13 HE22 -0.08 -0.03 -0.18 -0.04 7.69 7.37 1vh4B1 TRP 14 H -0.25 0.55 -0.15 -0.55 7.97 7.58 1vh4B1 TRP 14 HA -0.01 0.03 0.49 -0.75 4.62 4.37 1vh4B1 TRP 14 HB2 -0.11 0.04 0.09 -0.04 3.23 3.22 1vh4B1 TRP 14 HB3 -0.10 -0.03 -0.01 -0.04 3.23 3.05 1vh4B1 TRP 14 HD1 -0.32 -0.03 -0.13 -0.04 7.22 6.70 1vh4B1 TRP 14 HE1 -2.17 -0.01 -0.08 -0.04 10.20 7.91 1vh4B1 TRP 14 HE3 -0.23 -0.00 -0.10 -0.04 7.59 7.22 1vh4B1 TRP 14 HZ2 -0.69 0.00 -0.12 -0.04 7.44 6.59 1vh4B1 TRP 14 HZ3 -0.39 -0.04 -0.14 -0.04 7.13 6.51 1vh4B1 TRP 14 HH2 -0.25 -0.05 -0.12 -0.04 7.19 6.72 1vh4B1 HIS 15 H 0.23 0.64 -0.20 -0.55 8.41 8.54 1vh4B1 HIS 15 HA 0.08 -0.01 0.38 -0.75 4.63 4.32 1vh4B1 HIS 15 HB2 0.01 0.12 0.14 -0.04 3.26 3.50 1vh4B1 HIS 15 HB3 0.05 0.14 0.17 -0.04 3.20 3.52 1vh4B1 HIS 15 HD2 0.06 -0.02 0.05 -0.04 6.97 7.01 1vh4B1 HIS 15 HE1 -0.02 -0.04 -0.04 -0.04 7.75 7.60 1vh4B1 HIS 16 H 0.24 0.59 -0.17 -0.55 8.41 8.52 1vh4B1 HIS 16 HA 0.00 -0.01 0.36 -0.75 4.63 4.23 1vh4B1 HIS 16 HB2 0.00 -0.01 0.09 -0.04 3.26 3.30 1vh4B1 HIS 16 HB3 0.06 0.15 0.19 -0.04 3.20 3.56 1vh4B1 HIS 16 HD2 -0.01 -0.03 -0.02 -0.04 6.97 6.86 1vh4B1 HIS 16 HE1 0.03 -0.03 -0.06 -0.04 7.75 7.65 1vh4B1 LEU 17 H 0.30 0.56 -0.14 -0.55 8.37 8.54 1vh4B1 LEU 17 HA 0.21 -0.04 0.32 -0.75 4.35 4.08 1vh4B1 LEU 17 HB2 0.23 0.12 0.11 -0.04 1.64 2.07 1vh4B1 LEU 17 HB3 0.17 -0.02 -0.01 -0.04 1.64 1.73 1vh4B1 LEU 17 HG 0.28 0.28 0.04 -0.04 1.64 2.19 1vh4B1 LEU 17 HD13 0.29 -0.03 -0.14 -0.04 0.93 1.01 1vh4B1 LEU 17 HD23 0.23 -0.03 -0.09 -0.04 0.89 0.95 1vh4B1 PHE 18 H 0.31 0.47 -0.32 -0.55 8.34 8.25 1vh4B1 PHE 18 HA 0.02 0.05 0.40 -0.75 4.62 4.34 1vh4B1 PHE 18 HB2 0.06 -0.03 0.03 -0.04 3.15 3.17 1vh4B1 PHE 18 HB3 0.14 0.16 0.11 -0.04 3.06 3.43 1vh4B1 PHE 18 HD2 0.04 0.06 -0.19 -0.04 7.28 7.15 1vh4B1 PHE 18 HE2 0.01 -0.01 -0.09 -0.04 7.38 7.25 1vh4B1 PHE 18 HZ 0.00 -0.13 -0.21 -0.04 7.32 6.94 1vh4B1 GLU 19 H 0.14 0.39 -0.22 -0.55 8.60 8.36 1vh4B1 GLU 19 HA -0.08 0.09 0.65 -0.75 4.29 4.19 1vh4B1 GLU 19 HB2 -0.09 0.04 0.08 -0.04 2.09 2.08 1vh4B1 GLU 19 HB3 -0.05 -0.09 0.15 -0.04 1.99 1.95 1vh4B1 GLU 19 HG2 0.34 0.10 -0.01 -0.04 2.34 2.73 1vh4B1 GLU 19 HG3 0.00 -0.10 -0.01 -0.04 2.34 2.19 1vh4B1 ALA 20 H -0.07 0.28 -0.55 -0.55 8.40 7.51 1vh4B1 ALA 20 HA -0.16 -0.04 0.16 -0.75 4.34 3.54 1vh4B1 ALA 20 HB3 0.00 -0.00 0.10 -0.04 1.41 1.46 1vh4B1 THR 23 HA -0.05 -0.13 0.22 -0.75 4.39 3.67 1vh4B1 THR 23 HB -0.14 -0.09 -0.15 -0.04 4.32 3.90 1vh4B1 THR 23 HG23 -0.06 -0.02 -0.17 -0.04 1.22 0.94 1vh4B1 LYS 24 H -0.08 0.18 -0.02 -0.55 8.42 7.95 1vh4B1 LYS 24 HA -0.08 0.14 0.80 -0.75 4.32 4.43 1vh4B1 LYS 24 HB2 -0.03 0.05 -0.07 -0.04 1.87 1.78 1vh4B1 LYS 24 HB3 -0.03 -0.05 0.18 -0.04 1.79 1.84 1vh4B1 LYS 24 HG2 -0.03 0.02 -0.16 -0.04 1.46 1.25 1vh4B1 LYS 24 HG3 -0.03 0.02 0.06 -0.04 1.46 1.47 1vh4B1 LYS 24 HD2 -0.01 0.00 0.01 -0.04 1.69 1.65 1vh4B1 LYS 24 HD3 -0.01 -0.04 0.01 -0.04 1.68 1.60 1vh4B1 LYS 24 HE2 -0.01 0.01 0.00 -0.04 2.99 2.95 1vh4B1 LYS 24 HE3 -0.00 -0.06 -0.00 -0.04 2.99 2.88 1vh4B1 ARG 25 H -0.15 0.19 0.07 -0.55 8.46 8.01 1vh4B1 ARG 25 HA -0.11 0.15 0.83 -0.75 4.34 4.46 1vh4B1 ARG 25 HB2 -0.23 -0.06 0.07 -0.04 1.90 1.63 1vh4B1 ARG 25 HB3 -0.19 -0.02 0.03 -0.04 1.80 1.58 1vh4B1 ARG 25 HG2 -0.48 -0.06 -0.06 -0.04 1.67 1.03 1vh4B1 ARG 25 HG3 -1.73 0.09 0.00 -0.04 1.67 -0.01 1vh4B1 ARG 25 HD2 -0.43 0.10 0.05 -0.04 3.22 2.90 1vh4B1 ARG 25 HD3 -0.26 -0.08 -0.11 -0.04 3.22 2.72 1vh4B1 SER 26 H 0.01 0.20 0.21 -0.55 8.46 8.33 1vh4B1 SER 26 HA 0.02 0.15 0.53 -0.75 4.49 4.44 1vh4B1 SER 26 HB2 0.03 -0.11 0.18 -0.04 3.95 4.01 1vh4B1 SER 26 HB3 0.02 0.24 0.20 -0.04 3.93 4.36 1vh4B1 PRO 27 HA 0.04 0.13 0.40 -0.51 4.44 4.51 1vh4B1 PRO 27 HB2 0.02 0.01 0.04 -0.04 2.28 2.30 1vh4B1 PRO 27 HB3 0.02 0.07 0.10 -0.04 2.02 2.16 1vh4B1 PRO 27 HG2 0.01 0.02 0.11 -0.04 2.03 2.13 1vh4B1 PRO 27 HG3 0.02 0.11 0.11 -0.04 2.03 2.23 1vh4B1 PRO 27 HD2 0.02 0.02 0.25 -0.04 3.68 3.93 1vh4B1 PRO 27 HD3 0.02 0.23 0.27 -0.04 3.65 4.13 1vh4B1 GLN 28 H 0.05 0.11 -0.18 -0.55 8.47 7.89 1vh4B1 GLN 28 HA 0.03 0.08 0.39 -0.75 4.36 4.11 1vh4B1 GLN 28 HB2 0.07 -0.01 0.03 -0.04 2.15 2.19 1vh4B1 GLN 28 HB3 0.11 0.07 -0.05 -0.04 2.02 2.11 1vh4B1 GLN 28 HG2 0.04 0.18 -0.08 -0.04 2.40 2.50 1vh4B1 GLN 28 HG3 0.03 0.03 -0.05 -0.04 2.39 2.35 1vh4B1 GLN 28 HE21 0.01 -0.03 -0.05 -0.04 6.97 6.86 1vh4B1 GLN 28 HE22 0.01 0.12 -0.10 -0.04 7.69 7.68 1vh4B1 ALA 29 H 0.10 0.09 -0.25 -0.55 8.40 7.79 1vh4B1 ALA 29 HA 0.17 0.05 0.27 -0.75 4.34 4.07 1vh4B1 ALA 29 HB3 0.19 0.08 0.12 -0.04 1.41 1.76 1vh4B1 GLN 30 H 0.15 0.45 -0.34 -0.55 8.47 8.17 1vh4B1 GLN 30 HA 0.12 0.07 0.42 -0.75 4.36 4.21 1vh4B1 GLN 30 HB2 0.07 0.13 0.13 -0.04 2.15 2.43 1vh4B1 GLN 30 HB3 0.06 -0.07 -0.02 -0.04 2.02 1.95 1vh4B1 GLN 30 HG2 0.33 -0.00 -0.04 -0.04 2.40 2.65 1vh4B1 GLN 30 HG3 0.22 0.18 -0.15 -0.04 2.39 2.59 1vh4B1 GLN 30 HE21 0.04 -0.07 -0.07 -0.04 6.97 6.83 1vh4B1 GLN 30 HE22 0.06 0.29 -0.24 -0.04 7.69 7.75 1vh4B1 GLN 31 H 0.00 0.44 -0.21 -0.55 8.47 8.16 1vh4B1 GLN 31 HA -0.11 0.01 0.44 -0.75 4.36 3.94 1vh4B1 GLN 31 HB2 -0.12 0.17 0.16 -0.04 2.15 2.32 1vh4B1 GLN 31 HB3 -0.19 -0.07 0.01 -0.04 2.02 1.73 1vh4B1 GLN 31 HG2 -0.07 -0.05 0.01 -0.04 2.40 2.26 1vh4B1 GLN 31 HG3 -0.03 0.26 0.07 -0.04 2.39 2.64 1vh4B1 GLN 31 HE21 -0.02 -0.02 -0.09 -0.04 6.97 6.80 1vh4B1 GLN 31 HE22 -0.01 0.00 -0.33 -0.04 7.69 7.31 1vh4B1 HIS 32 H 0.02 0.50 -0.19 -0.55 8.41 8.19 1vh4B1 HIS 32 HA -0.14 -0.05 0.40 -0.75 4.63 4.09 1vh4B1 HIS 32 HB2 -0.02 0.15 0.04 -0.04 3.26 3.39 1vh4B1 HIS 32 HB3 0.01 0.06 0.07 -0.04 3.20 3.30 1vh4B1 HIS 32 HD2 0.01 0.13 -0.15 -0.04 6.97 6.91 1vh4B1 HIS 32 HE1 0.04 -0.09 -0.10 -0.04 7.75 7.56 1vh4B1 LEU 33 H -0.15 0.53 -0.27 -0.55 8.37 7.92 1vh4B1 LEU 33 HA -0.30 0.01 0.37 -0.75 4.35 3.67 1vh4B1 LEU 33 HB2 -1.00 0.13 0.10 -0.04 1.64 0.83 1vh4B1 LEU 33 HB3 -0.53 0.11 0.16 -0.04 1.64 1.34 1vh4B1 LEU 33 HG -1.51 0.06 -0.03 -0.04 1.64 0.11 1vh4B1 LEU 33 HD13 -0.46 -0.03 -0.24 -0.04 0.93 0.16 1vh4B1 LEU 33 HD23 -0.47 -0.02 -0.02 -0.04 0.89 0.33 1vh4B1 GLN 34 H -0.21 0.56 -0.16 -0.55 8.47 8.12 1vh4B1 GLN 34 HA -0.19 0.01 0.37 -0.75 4.36 3.79 1vh4B1 GLN 34 HB2 -0.16 0.00 0.15 -0.04 2.15 2.10 1vh4B1 GLN 34 HB3 -0.13 0.00 -0.00 -0.04 2.02 1.85 1vh4B1 GLN 34 HG2 -0.12 0.33 0.09 -0.04 2.40 2.66 1vh4B1 GLN 34 HG3 -0.09 0.00 -0.00 -0.04 2.39 2.26 1vh4B1 GLN 34 HE21 -0.08 -0.01 -0.03 -0.04 6.97 6.82 1vh4B1 GLN 34 HE22 -0.08 -0.02 -0.01 -0.04 7.69 7.54 1vh4B1 GLN 35 H -0.27 0.53 -0.21 -0.55 8.47 7.97 1vh4B1 GLN 35 HA -0.26 0.00 0.43 -0.75 4.36 3.78 1vh4B1 GLN 35 HB2 -0.66 0.09 0.11 -0.04 2.15 1.65 1vh4B1 GLN 35 HB3 -1.16 -0.09 -0.07 -0.04 2.02 0.66 1vh4B1 GLN 35 HG2 -0.28 0.10 -0.02 -0.04 2.40 2.17 1vh4B1 GLN 35 HG3 -0.33 -0.06 -0.06 -0.04 2.39 1.90 1vh4B1 GLN 35 HE21 -0.10 -0.00 -0.06 -0.04 6.97 6.77 1vh4B1 GLN 35 HE22 -0.13 0.01 -0.06 -0.04 7.69 7.47 1vh4B1 LEU 36 H -0.25 0.68 -0.23 -0.55 8.37 8.03 1vh4B1 LEU 36 HA -0.06 -0.07 0.38 -0.75 4.35 3.84 1vh4B1 LEU 36 HB2 -0.07 -0.02 -0.05 -0.04 1.64 1.46 1vh4B1 LEU 36 HB3 -0.17 0.22 0.16 -0.04 1.64 1.81 1vh4B1 LEU 36 HG -0.07 -0.02 -0.28 -0.04 1.64 1.23 1vh4B1 LEU 36 HD13 -0.07 -0.03 -0.04 -0.04 0.93 0.75 1vh4B1 LEU 36 HD23 -0.04 0.00 -0.11 -0.04 0.89 0.70 1vh4B1 LEU 37 H -0.19 0.56 -0.20 -0.55 8.37 7.99 1vh4B1 LEU 37 HA -0.12 -0.01 0.37 -0.75 4.35 3.84 1vh4B1 LEU 37 HB2 -0.17 0.10 0.09 -0.04 1.64 1.61 1vh4B1 LEU 37 HB3 -0.14 -0.07 0.02 -0.04 1.64 1.41 1vh4B1 LEU 37 HG -0.31 0.24 0.03 -0.04 1.64 1.56 1vh4B1 LEU 37 HD13 -0.51 -0.02 -0.06 -0.04 0.93 0.30 1vh4B1 LEU 37 HD23 -0.21 -0.02 -0.11 -0.04 0.89 0.51 1vh4B1 ARG 38 H -0.14 0.43 -0.19 -0.55 8.46 8.01 1vh4B1 ARG 38 HA -0.07 0.03 0.43 -0.75 4.34 3.98 1vh4B1 ARG 38 HB2 -0.11 0.02 0.10 -0.04 1.90 1.86 1vh4B1 ARG 38 HB3 -0.07 -0.07 -0.02 -0.04 1.80 1.61 1vh4B1 ARG 38 HG2 -0.07 -0.05 -0.02 -0.04 1.67 1.48 1vh4B1 ARG 38 HG3 -0.11 0.24 0.02 -0.04 1.67 1.77 1vh4B1 ARG 38 HD2 -0.11 -0.03 -0.12 -0.04 3.22 2.93 1vh4B1 ARG 38 HD3 -0.07 -0.04 -0.05 -0.04 3.22 3.02 1vh4B1 THR 39 H -0.09 0.52 -0.17 -0.55 8.28 7.99 1vh4B1 THR 39 HA -0.00 0.03 0.57 -0.75 4.39 4.23 1vh4B1 THR 39 HB 0.01 0.04 0.07 -0.04 4.32 4.40 1vh4B1 THR 39 HG23 0.06 -0.04 -0.09 -0.04 1.22 1.11 1vh4B1 GLY 40 H -0.07 0.58 -0.01 -0.55 8.43 8.38 1vh4B1 GLY 40 HA2 -0.08 0.01 0.28 -0.51 4.01 3.70 1vh4B1 GLY 40 HA3 -0.07 0.07 0.30 -0.51 4.01 3.80 1vh4B1 LEU 41 H -0.12 0.06 0.11 -0.55 8.37 7.89 1vh4B1 LEU 41 HA -0.25 0.13 0.74 -0.75 4.35 4.21 1vh4B1 LEU 41 HB2 -0.16 -0.10 0.09 -0.04 1.64 1.44 1vh4B1 LEU 41 HB3 -0.20 0.09 0.03 -0.04 1.64 1.51 1vh4B1 LEU 41 HG -0.11 -0.03 -0.13 -0.04 1.64 1.33 1vh4B1 LEU 41 HD13 -0.27 0.01 0.00 -0.04 0.93 0.62 1vh4B1 LEU 41 HD23 -0.14 0.01 -0.03 -0.04 0.89 0.69 1vh4B1 PRO 42 HA -0.12 0.13 0.64 -0.51 4.44 4.58 1vh4B1 PRO 42 HB2 -0.39 0.08 0.04 -0.04 2.28 1.97 1vh4B1 PRO 42 HB3 -0.54 0.02 0.02 -0.04 2.02 1.49 1vh4B1 PRO 42 HG2 -1.23 0.05 -0.06 -0.04 2.03 0.75 1vh4B1 PRO 42 HG3 -2.66 0.01 -0.01 -0.04 2.03 -0.67 1vh4B1 PRO 42 HD2 -0.58 0.06 0.18 -0.04 3.68 3.30 1vh4B1 PRO 42 HD3 -0.55 0.16 0.19 -0.04 3.65 3.41 1vh4B1 THR 43 H 0.01 0.07 0.16 -0.55 8.28 7.97 1vh4B1 THR 43 HA -0.04 0.25 0.88 -0.75 4.39 4.73 1vh4B1 THR 43 HB 0.01 -0.02 0.14 -0.04 4.32 4.41 1vh4B1 THR 43 HG23 -0.02 0.04 -0.04 -0.04 1.22 1.16 1vh4B1 ARG 44 H 0.04 0.16 0.11 -0.55 8.46 8.22 1vh4B1 ARG 44 HA 0.14 0.33 0.16 -0.75 4.34 4.21 1vh4B1 LYS 45 H 0.07 -0.06 -0.55 -0.55 8.42 7.32 1vh4B1 LYS 45 HA 0.04 0.21 0.64 -0.75 4.32 4.45 1vh4B1 LYS 45 HB2 0.04 -0.05 -0.04 -0.04 1.87 1.78 1vh4B1 LYS 45 HB3 0.02 0.02 0.03 -0.04 1.79 1.83 1vh4B1 LYS 45 HG2 0.03 0.04 -0.16 -0.04 1.46 1.33 1vh4B1 LYS 45 HG3 0.02 -0.04 -0.04 -0.04 1.46 1.36 1vh4B1 LYS 45 HD2 0.01 0.03 -0.01 -0.04 1.69 1.69 1vh4B1 LYS 45 HD3 0.01 0.01 -0.03 -0.04 1.68 1.63 1vh4B1 LYS 45 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.93 1vh4B1 LYS 45 HE3 0.01 -0.01 -0.03 -0.04 2.99 2.93 1vh4B1 HIS 46 H 0.21 0.37 -0.19 -0.55 8.41 8.25 1vh4B1 HIS 46 HA 0.09 0.06 0.47 -0.75 4.63 4.50 1vh4B1 HIS 46 HB2 0.10 -0.06 0.13 -0.04 3.26 3.39 1vh4B1 HIS 46 HB3 0.33 0.06 0.03 -0.04 3.20 3.57 1vh4B1 HIS 46 HD2 0.09 0.07 -0.00 -0.04 6.97 7.08 1vh4B1 HIS 46 HE1 0.20 0.06 -0.04 -0.04 7.75 7.92 1vh4B1 GLU 47 H -0.29 0.14 0.14 -0.55 8.60 8.05 1vh4B1 GLU 47 HA 0.03 0.12 0.31 -0.75 4.29 4.00 1vh4B1 GLU 47 HB2 -0.05 0.04 0.12 -0.04 2.09 2.15 1vh4B1 GLU 47 HB3 -0.03 -0.06 0.08 -0.04 1.99 1.94 1vh4B1 GLU 47 HG2 0.07 0.02 -0.36 -0.04 2.34 2.02 1vh4B1 GLU 47 HG3 0.03 0.02 0.00 -0.04 2.34 2.36 1vh4B1 ASN 48 H 0.86 0.04 -0.37 -0.55 8.53 8.51 1vh4B1 ASN 48 HA -0.02 0.24 0.81 -0.75 4.76 5.03 1vh4B1 ASN 48 HB2 0.11 -0.03 -0.04 -0.04 2.88 2.88 1vh4B1 ASN 48 HB3 -0.29 0.02 0.08 -0.04 2.79 2.56 1vh4B1 ASN 48 HD21 0.20 0.02 -0.09 -0.04 7.03 7.12 1vh4B1 ASN 48 HD22 0.27 -0.01 -0.07 -0.04 7.74 7.89 1vh4B1 TRP 49 H 0.26 0.53 -0.34 -0.55 7.97 7.88 1vh4B1 TRP 49 HA 0.03 0.16 0.71 -0.75 4.62 4.76 1vh4B1 TRP 49 HB2 0.06 0.05 -0.07 -0.04 3.23 3.23 1vh4B1 TRP 49 HB3 0.05 0.02 0.01 -0.04 3.23 3.27 1vh4B1 TRP 49 HD1 -0.50 -0.15 -0.25 -0.04 7.22 6.28 1vh4B1 TRP 49 HE1 -0.17 -0.06 -0.10 -0.04 10.20 9.84 1vh4B1 TRP 49 HE3 0.13 0.16 -0.01 -0.04 7.59 7.83 1vh4B1 TRP 49 HZ2 0.32 -0.13 -0.05 -0.04 7.44 7.53 1vh4B1 TRP 49 HZ3 0.33 0.03 -0.14 -0.04 7.13 7.32 1vh4B1 TRP 49 HH2 0.38 -0.03 -0.07 -0.04 7.19 7.43 1vh4B1 LYS 50 H -0.17 0.17 -0.12 -0.55 8.42 7.75 1vh4B1 LYS 50 HA -0.08 0.25 0.33 -0.75 4.32 4.06 1vh4B1 LYS 50 HB2 -0.30 0.07 0.04 -0.04 1.87 1.63 1vh4B1 LYS 50 HB3 -1.34 -0.05 -0.01 -0.04 1.79 0.35 1vh4B1 LYS 50 HG2 -0.40 -0.02 -0.12 -0.04 1.46 0.88 1vh4B1 LYS 50 HG3 -0.15 0.06 0.07 -0.04 1.46 1.40 1vh4B1 LYS 50 HD2 -0.11 0.01 -0.02 -0.04 1.69 1.53 1vh4B1 LYS 50 HD3 -0.24 -0.02 -0.05 -0.04 1.68 1.34 1vh4B1 LYS 50 HE2 0.11 -0.00 -0.03 -0.04 2.99 3.02 1vh4B1 LYS 50 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.93 1vh4B1 TYR 51 H -0.15 0.01 -0.35 -0.55 8.29 7.25 1vh4B1 TYR 51 HA 0.07 0.26 0.87 -0.75 4.56 5.01 1vh4B1 TYR 51 HB2 0.01 -0.00 -0.16 -0.04 3.06 2.86 1vh4B1 TYR 51 HB3 0.03 0.05 0.00 -0.04 2.98 3.01 1vh4B1 TYR 51 HD2 0.00 0.06 -0.16 -0.04 7.15 7.01 1vh4B1 TYR 51 HE2 0.01 0.03 -0.10 -0.04 6.85 6.75 1vh4B1 THR 52 H 0.20 0.16 -0.31 -0.55 8.28 7.78 1vh4B1 THR 52 HA 0.17 0.27 0.84 -0.75 4.39 4.93 1vh4B1 THR 52 HB 0.27 -0.04 0.04 -0.04 4.32 4.55 1vh4B1 THR 52 HG23 0.19 0.02 -0.18 -0.04 1.22 1.21 1vh4B1 PRO 53 HA 0.19 0.02 0.46 -0.51 4.44 4.59 1vh4B1 PRO 53 HB2 0.15 -0.14 -0.04 -0.04 2.28 2.21 1vh4B1 PRO 53 HB3 0.13 0.07 0.03 -0.04 2.02 2.21 1vh4B1 PRO 53 HG2 0.16 0.01 0.09 -0.04 2.03 2.25 1vh4B1 PRO 53 HG3 0.12 0.14 0.05 -0.04 2.03 2.29 1vh4B1 PRO 53 HD2 0.16 0.11 0.21 -0.04 3.68 4.12 1vh4B1 PRO 53 HD3 0.15 0.31 0.04 -0.04 3.65 4.10 1vh4B1 LEU 54 H 0.13 0.11 0.19 -0.55 8.37 8.25 1vh4B1 LEU 54 HA 0.20 0.27 0.87 -0.75 4.35 4.93 1vh4B1 LEU 54 HB2 0.00 0.03 0.04 -0.04 1.64 1.68 1vh4B1 LEU 54 HB3 0.02 -0.05 0.10 -0.04 1.64 1.66 1vh4B1 LEU 54 HG 0.17 0.14 -0.21 -0.04 1.64 1.69 1vh4B1 LEU 54 HD13 -0.49 0.01 -0.03 -0.04 0.93 0.38 1vh4B1 LEU 54 HD23 0.23 0.03 -0.10 -0.04 0.89 1.01 1vh4B1 GLU 55 H 0.09 0.11 0.03 -0.55 8.60 8.29 1vh4B1 GLU 55 HA 0.01 0.06 0.34 -0.75 4.29 3.95 1vh4B1 GLU 55 HB2 0.06 0.02 0.09 -0.04 2.09 2.22 1vh4B1 GLU 55 HB3 0.03 0.09 -0.02 -0.04 1.99 2.04 1vh4B1 GLU 55 HG2 0.03 0.07 0.02 -0.04 2.34 2.43 1vh4B1 GLU 55 HG3 0.01 0.02 0.04 -0.04 2.34 2.37 1vh4B1 GLY 56 H 0.13 0.12 -0.28 -0.55 8.43 7.86 1vh4B1 GLY 56 HA2 0.05 0.09 0.22 -0.51 4.01 3.86 1vh4B1 GLY 56 HA3 0.18 0.08 0.17 -0.51 4.01 3.93 1vh4B1 LEU 57 H -0.03 0.16 -0.54 -0.55 8.37 7.41 1vh4B1 LEU 57 HA -0.20 0.14 0.67 -0.75 4.35 4.21 1vh4B1 LEU 57 HB2 -0.41 -0.05 0.01 -0.04 1.64 1.14 1vh4B1 LEU 57 HB3 -0.07 0.06 0.13 -0.04 1.64 1.71 1vh4B1 LEU 57 HG 0.01 0.01 -0.11 -0.04 1.64 1.51 1vh4B1 LEU 57 HD13 -0.66 0.00 -0.03 -0.04 0.93 0.20 1vh4B1 LEU 57 HD23 -0.52 -0.01 -0.06 -0.04 0.89 0.26 1vh4B1 ILE 58 H -0.03 0.64 0.14 -0.55 8.25 8.45 1vh4B1 ILE 58 HA -0.12 0.01 0.31 -0.75 4.18 3.63 1vh4B1 ILE 58 HB -0.04 -0.00 0.02 -0.04 1.89 1.82 1vh4B1 ILE 58 HG12 -0.17 -0.00 0.03 -0.04 1.49 1.31 1vh4B1 ILE 58 HG13 -0.06 0.01 0.01 -0.04 1.21 1.12 1vh4B1 ILE 58 HG23 -0.09 0.03 -0.40 -0.04 0.93 0.43 1vh4B1 ILE 58 HD13 -0.09 -0.05 -0.06 -0.04 0.88 0.64 1vh4B1 ASN 59 H -0.05 0.49 -0.20 -0.55 8.53 8.22 1vh4B1 ASN 59 HA -0.08 0.16 0.54 -0.75 4.76 4.63 1vh4B1 ASN 59 HB2 -0.04 0.08 -0.00 -0.04 2.88 2.87 1vh4B1 ASN 59 HB3 -0.05 -0.06 0.14 -0.04 2.79 2.78 1vh4B1 ASN 59 HD21 -0.01 -0.12 -0.01 -0.04 7.03 6.85 1vh4B1 ASN 59 HD22 -0.01 0.02 -0.07 -0.04 7.74 7.63 1vh4B1 SER 60 H -0.15 0.38 -0.60 -0.55 8.46 7.55 1vh4B1 SER 60 HA -0.20 0.12 0.82 -0.75 4.49 4.47 1vh4B1 SER 60 HB2 -0.80 0.08 -0.01 -0.04 3.95 3.18 1vh4B1 SER 60 HB3 -0.54 -0.03 0.02 -0.04 3.93 3.34 1vh4B1 GLN 61 H -0.25 0.18 0.14 -0.55 8.47 7.99 1vh4B1 GLN 61 HA -0.11 0.16 0.84 -0.75 4.36 4.49 1vh4B1 GLN 61 HB2 -0.10 -0.03 0.10 -0.04 2.15 2.07 1vh4B1 GLN 61 HB3 -0.06 0.00 -0.03 -0.04 2.02 1.89 1vh4B1 GLN 61 HG2 -0.05 -0.05 -0.01 -0.04 2.40 2.24 1vh4B1 GLN 61 HG3 -0.05 0.03 0.04 -0.04 2.39 2.36 1vh4B1 GLN 61 HE21 -0.07 0.03 -0.14 -0.04 6.97 6.75 1vh4B1 GLN 61 HE22 -0.06 -0.02 -0.04 -0.04 7.69 7.52 1vh4B1 PHE 62 H 0.18 0.15 0.12 -0.55 8.34 8.24 1vh4B1 PHE 62 HA 0.10 0.25 0.96 -0.75 4.62 5.18 1vh4B1 PHE 62 HB2 0.16 -0.04 0.02 -0.04 3.15 3.24 1vh4B1 PHE 62 HB3 0.26 0.08 0.06 -0.04 3.06 3.41 1vh4B1 PHE 62 HD2 0.10 0.04 -0.04 -0.04 7.28 7.33 1vh4B1 PHE 62 HE2 -0.17 0.01 -0.05 -0.04 7.38 7.13 1vh4B1 PHE 62 HZ -0.08 0.01 -0.03 -0.04 7.32 7.18 1vh4B1 VAL 63 H 0.29 0.62 0.30 -0.55 8.24 8.89 1vh4B1 VAL 63 HA 0.15 0.17 0.55 -0.75 4.13 4.25 1vh4B1 VAL 63 HB 0.10 -0.05 0.01 -0.04 2.12 2.14 1vh4B1 VAL 63 HG13 0.06 0.01 -0.15 -0.04 0.97 0.86 1vh4B1 VAL 63 HG23 0.10 -0.03 -0.28 -0.04 0.95 0.71 1vh4B1 SER 64 H 0.12 0.21 -0.02 -0.55 8.46 8.23 1vh4B1 SER 64 HA 0.13 0.17 0.90 -0.75 4.49 4.94 1vh4B1 SER 64 HB2 0.15 0.04 0.01 -0.04 3.95 4.11 1vh4B1 SER 64 HB3 0.11 -0.01 0.19 -0.04 3.93 4.18 1vh4B1 ILE 65 H 0.09 0.15 0.05 -0.55 8.25 7.99 1vh4B1 ILE 65 HA 0.05 0.21 0.96 -0.75 4.18 4.65 1vh4B1 ILE 65 HB 0.06 -0.04 0.03 -0.04 1.89 1.90 1vh4B1 ILE 65 HG12 0.05 0.10 -0.06 -0.04 1.49 1.54 1vh4B1 ILE 65 HG13 0.07 -0.17 -0.30 -0.04 1.21 0.77 1vh4B1 ILE 65 HG23 0.04 0.01 -0.14 -0.04 0.93 0.80 1vh4B1 ILE 65 HD13 0.05 -0.00 -0.06 -0.04 0.88 0.83 1vh4B1 ALA 66 H 0.04 0.20 0.11 -0.55 8.40 8.20 1vh4B1 ALA 66 HA 0.04 0.13 0.96 -0.75 4.34 4.71 1vh4B1 ALA 66 HB3 0.03 0.04 0.13 -0.04 1.41 1.56 1vh4B1 GLY 67 H 0.04 0.10 0.03 -0.55 8.43 8.04 1vh4B1 GLY 67 HA2 0.02 0.14 0.62 -0.51 4.01 4.29 1vh4B1 GLY 67 HA3 0.03 -0.02 0.26 -0.51 4.01 3.78 1vh4B1 GLU 68 H 0.01 0.21 0.13 -0.55 8.60 8.41 1vh4B1 GLU 68 HA 0.00 0.17 0.80 -0.75 4.29 4.51 1vh4B1 GLU 68 HB2 0.00 -0.04 0.06 -0.04 2.09 2.07 1vh4B1 GLU 68 HB3 -0.01 0.03 0.00 -0.04 1.99 1.98 1vh4B1 GLU 68 HG2 -0.01 0.04 -0.01 -0.04 2.34 2.32 1vh4B1 GLU 68 HG3 0.00 0.04 -0.43 -0.04 2.34 1.91 1vh4B1 ILE 69 H -0.01 0.22 0.11 -0.55 8.25 8.03 1vh4B1 ILE 69 HA 0.01 0.20 0.94 -0.75 4.18 4.57 1vh4B1 ILE 69 HB 0.01 -0.05 0.06 -0.04 1.89 1.86 1vh4B1 ILE 69 HG12 -0.00 -0.01 -0.08 -0.04 1.49 1.36 1vh4B1 ILE 69 HG13 -0.01 0.00 -0.25 -0.04 1.21 0.91 1vh4B1 ILE 69 HG23 0.02 0.01 -0.22 -0.04 0.93 0.69 1vh4B1 ILE 69 HD13 -0.00 0.01 -0.18 -0.04 0.88 0.67 1vh4B1 SER 70 H 0.00 0.08 0.14 -0.55 8.46 8.14 1vh4B1 SER 70 HA -0.01 0.27 0.70 -0.75 4.49 4.70 1vh4B1 SER 70 HB2 -0.00 0.06 0.12 -0.04 3.95 4.09 1vh4B1 SER 70 HB3 -0.00 0.10 0.07 -0.04 3.93 4.06 1vh4B1 PRO 71 HA -0.02 0.14 0.38 -0.51 4.44 4.44 1vh4B1 PRO 71 HB2 -0.01 0.00 0.06 -0.04 2.28 2.29 1vh4B1 PRO 71 HB3 -0.02 0.12 0.10 -0.04 2.02 2.19 1vh4B1 PRO 71 HG2 -0.01 0.07 0.10 -0.04 2.03 2.15 1vh4B1 PRO 71 HG3 -0.02 0.15 0.09 -0.04 2.03 2.21 1vh4B1 PRO 71 HD2 -0.01 0.07 0.22 -0.04 3.68 3.92 1vh4B1 PRO 71 HD3 -0.02 0.20 0.25 -0.04 3.65 4.05 1vh4B1 GLN 72 H -0.00 0.12 -0.16 -0.55 8.47 7.88 1vh4B1 GLN 72 HA 0.00 0.12 0.42 -0.75 4.36 4.15 1vh4B1 GLN 72 HB2 0.00 -0.06 0.02 -0.04 2.15 2.07 1vh4B1 GLN 72 HB3 0.01 0.07 -0.03 -0.04 2.02 2.02 1vh4B1 GLN 72 HG2 0.00 0.05 0.01 -0.04 2.40 2.42 1vh4B1 GLN 72 HG3 0.00 0.05 0.01 -0.04 2.39 2.42 1vh4B1 GLN 72 HE21 -0.00 0.03 0.02 -0.04 6.97 6.98 1vh4B1 GLN 72 HE22 -0.00 0.06 -0.02 -0.04 7.69 7.68 1vh4B1 GLN 73 H 0.00 0.05 -0.27 -0.55 8.47 7.71 1vh4B1 GLN 73 HA 0.02 0.12 0.48 -0.75 4.36 4.22 1vh4B1 GLN 73 HB2 0.01 -0.02 0.15 -0.04 2.15 2.25 1vh4B1 GLN 73 HB3 0.02 0.07 0.00 -0.04 2.02 2.07 1vh4B1 GLN 73 HG2 0.02 0.10 0.04 -0.04 2.40 2.51 1vh4B1 GLN 73 HG3 0.01 -0.08 0.03 -0.04 2.39 2.31 1vh4B1 GLN 73 HE21 0.02 0.03 0.02 -0.04 6.97 7.00 1vh4B1 GLN 73 HE22 0.02 0.06 0.01 -0.04 7.69 7.74 1vh4B1 ARG 74 H 0.00 0.40 -0.19 -0.55 8.46 8.12 1vh4B1 ARG 74 HA 0.01 0.04 0.32 -0.75 4.34 3.95 1vh4B1 ARG 74 HB2 -0.01 -0.04 -0.01 -0.04 1.90 1.79 1vh4B1 ARG 74 HB3 -0.01 0.10 0.15 -0.04 1.80 2.00 1vh4B1 ARG 74 HG2 -0.00 0.00 -0.30 -0.04 1.67 1.33 1vh4B1 ARG 74 HG3 -0.01 -0.04 -0.07 -0.04 1.67 1.50 1vh4B1 ARG 74 HD2 -0.03 0.04 -0.04 -0.04 3.22 3.15 1vh4B1 ARG 74 HD3 -0.04 -0.03 0.00 -0.04 3.22 3.11 1vh4B1 ASP 75 H 0.01 0.56 -0.10 -0.55 8.40 8.32 1vh4B1 ASP 75 HA 0.01 0.03 0.27 -0.75 4.63 4.19 1vh4B1 ASP 75 HB2 0.01 0.03 0.12 -0.04 2.71 2.82 1vh4B1 ASP 75 HB3 0.01 -0.02 0.01 -0.04 2.70 2.65 1vh4B1 ALA 76 H 0.02 0.36 -0.33 -0.55 8.40 7.90 1vh4B1 ALA 76 HA 0.03 0.03 0.41 -0.75 4.34 4.05 1vh4B1 ALA 76 HB3 0.02 -0.00 0.09 -0.04 1.41 1.48 1vh4B1 LEU 77 H 0.04 0.31 -0.39 -0.55 8.37 7.78 1vh4B1 LEU 77 HA 0.08 0.15 0.77 -0.75 4.35 4.60 1vh4B1 LEU 77 HB2 0.04 0.05 0.00 -0.04 1.64 1.69 1vh4B1 LEU 77 HB3 0.06 -0.09 0.01 -0.04 1.64 1.58 1vh4B1 LEU 77 HG 0.04 -0.01 -0.10 -0.04 1.64 1.53 1vh4B1 LEU 77 HD13 0.04 -0.03 -0.13 -0.04 0.93 0.76 1vh4B1 LEU 77 HD23 0.06 0.01 -0.02 -0.04 0.89 0.91 1vh4B1 ALA 78 H 0.05 0.22 -0.24 -0.55 8.40 7.88 1vh4B1 ALA 78 HA 0.14 -0.02 0.42 -0.75 4.34 4.13 1vh4B1 ALA 78 HB3 0.03 0.02 -0.03 -0.04 1.41 1.39 1vh4B1 LEU 79 H 0.04 0.03 0.07 -0.55 8.37 7.97 1vh4B1 LEU 79 HA -0.02 0.11 0.43 -0.75 4.35 4.11 1vh4B1 LEU 79 HB2 -0.11 -0.05 -0.05 -0.04 1.64 1.39 1vh4B1 LEU 79 HB3 -0.11 0.02 -0.20 -0.04 1.64 1.32 1vh4B1 LEU 79 HG -0.63 0.04 -0.04 -0.04 1.64 0.97 1vh4B1 LEU 79 HD13 -0.41 -0.02 -0.12 -0.04 0.93 0.35 1vh4B1 LEU 79 HD23 -0.19 0.01 -0.06 -0.04 0.89 0.61 1vh4B1 THR 80 H -0.02 0.14 0.06 -0.55 8.28 7.91 1vh4B1 THR 80 HA -0.01 0.13 0.65 -0.75 4.39 4.40 1vh4B1 THR 80 HB -0.02 -0.03 0.14 -0.04 4.32 4.37 1vh4B1 THR 80 HG23 -0.01 -0.02 -0.09 -0.04 1.22 1.06 1vh4B1 LEU 81 H -0.02 0.37 0.02 -0.55 8.37 8.19 1vh4B1 LEU 81 HA -0.03 -0.02 0.35 -0.75 4.35 3.90 1vh4B1 LEU 81 HB2 -0.05 0.10 -0.40 -0.04 1.64 1.25 1vh4B1 LEU 81 HB3 -0.04 0.02 -0.27 -0.04 1.64 1.30 1vh4B1 LEU 81 HG -0.03 0.12 -0.38 -0.04 1.64 1.31 1vh4B1 LEU 81 HD13 -0.04 -0.03 -0.00 -0.04 0.93 0.82 1vh4B1 LEU 81 HD23 -0.05 -0.01 -0.21 -0.04 0.89 0.58 1vh4B1 ASP 82 H -0.02 0.11 0.06 -0.55 8.40 8.00 1vh4B1 ASP 82 HA -0.01 0.11 0.74 -0.75 4.63 4.72 1vh4B1 ASP 82 HB2 -0.01 -0.04 0.11 -0.04 2.71 2.74 1vh4B1 ASP 82 HB3 -0.01 -0.00 0.21 -0.04 2.70 2.86 1vh4B1 SER 83 H -0.01 0.28 0.17 -0.55 8.46 8.36 1vh4B1 SER 83 HA 0.01 0.18 0.69 -0.75 4.49 4.61 1vh4B1 SER 83 HB2 -0.03 0.16 -0.12 -0.04 3.95 3.93 1vh4B1 SER 83 HB3 -0.02 -0.07 -0.48 -0.04 3.93 3.32 1vh4B1 VAL 84 H -0.01 0.68 0.16 -0.55 8.24 8.52 1vh4B1 VAL 84 HA 0.00 0.12 0.78 -0.75 4.13 4.28 1vh4B1 VAL 84 HB -0.11 -0.02 0.18 -0.04 2.12 2.12 1vh4B1 VAL 84 HG13 0.01 0.01 -0.08 -0.04 0.97 0.86 1vh4B1 VAL 84 HG23 0.15 0.01 -0.03 -0.04 0.95 1.04 1vh4B1 ARG 85 H -0.02 0.20 0.09 -0.55 8.46 8.18 1vh4B1 ARG 85 HA -0.05 0.26 1.12 -0.75 4.34 4.91 1vh4B1 ARG 85 HB2 -0.03 -0.00 -0.08 -0.04 1.90 1.75 1vh4B1 ARG 85 HB3 -0.03 -0.02 0.12 -0.04 1.80 1.83 1vh4B1 ARG 85 HG2 -0.05 -0.01 -0.40 -0.04 1.67 1.17 1vh4B1 ARG 85 HG3 -0.03 0.03 -0.09 -0.04 1.67 1.54 1vh4B1 ARG 85 HD2 -0.01 -0.02 -0.10 -0.04 3.22 3.05 1vh4B1 ARG 85 HD3 -0.01 0.01 -0.07 -0.04 3.22 3.11 1vh4B1 LEU 86 H -0.05 0.75 0.38 -0.55 8.37 8.91 1vh4B1 LEU 86 HA -0.05 0.09 0.89 -0.75 4.35 4.51 1vh4B1 LEU 86 HB2 0.06 -0.01 0.13 -0.04 1.64 1.78 1vh4B1 LEU 86 HB3 -0.18 -0.02 0.01 -0.04 1.64 1.42 1vh4B1 LEU 86 HG -0.06 0.02 -0.16 -0.04 1.64 1.40 1vh4B1 LEU 86 HD13 -0.05 -0.01 -0.11 -0.04 0.93 0.72 1vh4B1 LEU 86 HD23 0.01 0.01 -0.15 -0.04 0.89 0.72 1vh4B1 VAL 87 H -0.25 0.17 0.11 -0.55 8.24 7.72 1vh4B1 VAL 87 HA -0.15 0.31 1.08 -0.75 4.13 4.63 1vh4B1 VAL 87 HB -0.18 -0.04 -0.04 -0.04 2.12 1.82 1vh4B1 VAL 87 HG13 -0.08 -0.01 -0.20 -0.04 0.97 0.64 1vh4B1 VAL 87 HG23 -0.08 0.02 -0.19 -0.04 0.95 0.66 1vh4B1 PHE 88 H 0.03 0.81 0.31 -0.55 8.34 8.94 1vh4B1 PHE 88 HA 0.09 0.26 0.80 -0.75 4.62 5.01 1vh4B1 PHE 88 HB2 -0.18 -0.02 0.04 -0.04 3.15 2.95 1vh4B1 PHE 88 HB3 0.33 -0.06 -0.23 -0.04 3.06 3.07 1vh4B1 PHE 88 HD2 -0.10 0.11 -0.30 -0.04 7.28 6.95 1vh4B1 PHE 88 HE2 -0.09 0.00 -0.13 -0.04 7.38 7.12 1vh4B1 PHE 88 HZ -0.11 -0.00 -0.13 -0.04 7.32 7.04 1vh4B1 VAL 89 H 0.15 0.82 0.21 -0.55 8.24 8.87 1vh4B1 VAL 89 HA 0.14 0.28 1.05 -0.75 4.13 4.84 1vh4B1 VAL 89 HB 0.03 0.07 0.10 -0.04 2.12 2.29 1vh4B1 VAL 89 HG13 0.04 -0.02 -0.19 -0.04 0.97 0.76 1vh4B1 VAL 89 HG23 0.00 -0.03 -0.19 -0.04 0.95 0.70 1vh4B1 ASP 90 H 0.17 0.61 0.29 -0.55 8.40 8.93 1vh4B1 ASP 90 HA 0.08 -0.02 0.39 -0.75 4.63 4.33 1vh4B1 ASP 90 HB2 0.05 0.09 0.03 -0.04 2.71 2.84 1vh4B1 ASP 90 HB3 0.04 0.24 0.36 -0.04 2.70 3.29 1vh4B1 GLY 91 H 0.10 0.03 -0.29 -0.55 8.43 7.72 1vh4B1 GLY 91 HA2 -0.76 -0.03 0.15 -0.51 4.01 2.86 1vh4B1 GLY 91 HA3 -0.22 0.15 0.51 -0.51 4.01 3.94 1vh4B1 ARG 92 H 0.17 0.39 -0.41 -0.55 8.46 8.05 1vh4B1 ARG 92 HA 0.17 0.16 1.08 -0.75 4.34 4.99 1vh4B1 ARG 92 HB2 0.07 0.06 0.05 -0.04 1.90 2.03 1vh4B1 ARG 92 HB3 0.07 0.05 0.01 -0.04 1.80 1.89 1vh4B1 ARG 92 HG2 0.05 0.03 -0.12 -0.04 1.67 1.59 1vh4B1 ARG 92 HG3 0.04 0.11 -0.24 -0.04 1.67 1.54 1vh4B1 TYR 93 H 0.32 0.14 0.13 -0.55 8.29 8.33 1vh4B1 TYR 93 HA -0.31 0.12 0.57 -0.75 4.56 4.18 1vh4B1 TYR 93 HB2 0.15 -0.01 0.06 -0.04 3.06 3.21 1vh4B1 TYR 93 HB3 0.04 0.00 0.13 -0.04 2.98 3.12 1vh4B1 TYR 93 HD2 -0.45 0.04 -0.04 -0.04 7.15 6.66 1vh4B1 TYR 93 HE2 -0.15 -0.02 -0.01 -0.04 6.85 6.63 1vh4B1 VAL 94 H -0.56 0.64 0.29 -0.55 8.24 8.06 1vh4B1 VAL 94 HA -0.32 0.24 0.95 -0.75 4.13 4.25 1vh4B1 VAL 94 HB -0.23 -0.03 0.13 -0.04 2.12 1.95 1vh4B1 VAL 94 HG13 -0.14 -0.05 -0.05 -0.04 0.97 0.70 1vh4B1 VAL 94 HG23 -0.08 0.04 -0.10 -0.04 0.95 0.77 1vh4B1 PRO 95 HA -0.49 0.08 0.40 -0.51 4.44 3.93 1vh4B1 PRO 95 HB2 -0.12 0.03 0.07 -0.04 2.28 2.22 1vh4B1 PRO 95 HB3 -0.08 0.04 0.10 -0.04 2.02 2.05 1vh4B1 PRO 95 HG2 -0.10 0.06 0.10 -0.04 2.03 2.04 1vh4B1 PRO 95 HG3 -0.11 0.05 0.06 -0.04 2.03 2.00 1vh4B1 PRO 95 HD2 -0.25 0.11 0.22 -0.04 3.68 3.73 1vh4B1 PRO 95 HD3 -0.54 0.28 -0.11 -0.04 3.65 3.23 1vh4B1 ALA 96 H -0.17 0.12 -0.12 -0.55 8.40 7.69 1vh4B1 ALA 96 HA -0.08 0.10 0.37 -0.75 4.34 3.97 1vh4B1 ALA 96 HB3 -0.07 0.00 0.07 -0.04 1.41 1.37 1vh4B1 LEU 97 H -0.18 0.29 -0.41 -0.55 8.37 7.52 1vh4B1 LEU 97 HA -0.07 0.15 0.84 -0.75 4.35 4.51 1vh4B1 LEU 97 HB2 -0.14 0.07 0.02 -0.04 1.64 1.54 1vh4B1 LEU 97 HB3 -0.08 -0.03 0.07 -0.04 1.64 1.55 1vh4B1 LEU 97 HG -0.08 -0.08 -0.19 -0.04 1.64 1.25 1vh4B1 LEU 97 HD13 -0.06 0.02 -0.12 -0.04 0.93 0.73 1vh4B1 LEU 97 HD23 -0.04 0.02 -0.15 -0.04 0.89 0.67 1vh4B1 SER 98 H -0.15 0.40 -0.08 -0.55 8.46 8.08 1vh4B1 SER 98 HA -0.08 0.19 0.91 -0.75 4.49 4.76 1vh4B1 SER 98 HB2 -0.06 0.02 0.11 -0.04 3.95 3.98 1vh4B1 SER 98 HB3 0.02 0.05 0.24 -0.04 3.93 4.20 1vh4B1 ASP 99 H -0.02 0.66 0.34 -0.55 8.40 8.83 1vh4B1 ASP 99 HA -0.01 0.06 0.61 -0.75 4.63 4.54 1vh4B1 ASP 99 HB2 -0.01 -0.07 0.12 -0.04 2.71 2.72 1vh4B1 ASP 99 HB3 0.01 0.09 0.13 -0.04 2.70 2.88 1vh4B1 ALA 100 H 0.01 0.10 0.20 -0.55 8.40 8.16 1vh4B1 ALA 100 HA 0.03 0.05 0.55 -0.75 4.34 4.22 1vh4B1 ALA 100 HB3 0.02 -0.00 0.14 -0.04 1.41 1.53 1vh4B1 THR 101 H 0.04 0.06 0.24 -0.55 8.28 8.07 1vh4B1 THR 101 HA 0.07 0.24 0.88 -0.75 4.39 4.83 1vh4B1 THR 101 HB 0.08 0.09 0.14 -0.04 4.32 4.59 1vh4B1 THR 101 HG23 0.02 0.04 -0.11 -0.04 1.22 1.13 1vh4B1 GLU 102 H 0.04 0.01 0.10 -0.55 8.60 8.20 1vh4B1 GLU 102 HA 0.03 0.01 0.46 -0.75 4.29 4.04 1vh4B1 GLU 102 HB2 0.03 0.00 0.18 -0.04 2.09 2.26 1vh4B1 GLU 102 HB3 0.02 0.02 0.14 -0.04 1.99 2.13 1vh4B1 GLU 102 HG2 0.02 0.04 -0.14 -0.04 2.34 2.22 1vh4B1 GLU 102 HG3 0.02 -0.03 0.09 -0.04 2.34 2.37 1vh4B1 GLY 103 H 0.02 0.10 0.23 -0.55 8.43 8.23 1vh4B1 GLY 103 HA2 0.01 -0.01 0.35 -0.51 4.01 3.85 1vh4B1 GLY 103 HA3 0.01 0.12 0.44 -0.51 4.01 4.07 1vh4B1 SER 104 H 0.05 0.53 -0.17 -0.55 8.46 8.33 1vh4B1 SER 104 HA 0.04 0.13 0.53 -0.75 4.49 4.44 1vh4B1 SER 104 HB2 0.22 -0.03 0.11 -0.04 3.95 4.21 1vh4B1 SER 104 HB3 0.10 0.09 0.04 -0.04 3.93 4.13 1vh4B1 GLY 105 H -0.01 0.04 -0.12 -0.55 8.43 7.79 1vh4B1 GLY 105 HA2 -0.10 -0.02 0.27 -0.51 4.01 3.64 1vh4B1 GLY 105 HA3 -0.24 0.19 0.79 -0.51 4.01 4.24 1vh4B1 TYR 106 H 0.07 0.08 -0.15 -0.55 8.29 7.74 1vh4B1 TYR 106 HA 0.03 0.29 1.00 -0.75 4.56 5.13 1vh4B1 TYR 106 HB2 0.02 -0.03 0.07 -0.04 3.06 3.08 1vh4B1 TYR 106 HB3 0.03 0.01 -0.08 -0.04 2.98 2.90 1vh4B1 TYR 106 HD2 0.03 -0.03 -0.10 -0.04 7.15 7.00 1vh4B1 TYR 106 HE2 0.03 0.06 -0.05 -0.04 6.85 6.84 1vh4B1 GLU 107 H 0.10 0.82 0.34 -0.55 8.60 9.32 1vh4B1 GLU 107 HA 0.06 0.04 0.74 -0.75 4.29 4.38 1vh4B1 GLU 107 HB2 0.07 0.02 0.23 -0.04 2.09 2.36 1vh4B1 GLU 107 HB3 0.05 0.00 0.02 -0.04 1.99 2.02 1vh4B1 GLU 107 HG2 0.03 0.02 -0.02 -0.04 2.34 2.33 1vh4B1 GLU 107 HG3 0.03 -0.02 -0.01 -0.04 2.34 2.29 1vh4B1 VAL 108 H 0.05 0.18 0.16 -0.55 8.24 8.08 1vh4B1 VAL 108 HA 0.06 0.46 1.16 -0.75 4.13 5.05 1vh4B1 VAL 108 HB 0.01 -0.07 0.07 -0.04 2.12 2.09 1vh4B1 VAL 108 HG13 -0.07 -0.00 -0.21 -0.04 0.97 0.64 1vh4B1 VAL 108 HG23 0.04 0.01 -0.28 -0.04 0.95 0.69 1vh4B1 SER 109 H 0.07 0.72 0.33 -0.55 8.46 9.04 1vh4B1 SER 109 HA 0.01 0.14 0.90 -0.75 4.49 4.78 1vh4B1 SER 109 HB2 0.08 -0.02 0.10 -0.04 3.95 4.07 1vh4B1 SER 109 HB3 0.05 0.01 -0.00 -0.04 3.93 3.95 1vh4B1 ILE 110 H -0.03 0.19 0.16 -0.55 8.25 8.03 1vh4B1 ILE 110 HA -0.00 0.34 1.20 -0.75 4.18 4.96 1vh4B1 ILE 110 HB -0.13 -0.02 0.18 -0.04 1.89 1.88 1vh4B1 ILE 110 HG12 -0.18 0.01 -0.16 -0.04 1.49 1.12 1vh4B1 ILE 110 HG13 -0.74 -0.01 -0.07 -0.04 1.21 0.35 1vh4B1 ILE 110 HG23 0.07 0.00 -0.13 -0.04 0.93 0.83 1vh4B1 ILE 110 HD13 -0.23 -0.00 -0.07 -0.04 0.88 0.53 1vh4B1 ASN 111 H 0.09 0.61 0.40 -0.55 8.53 9.08 1vh4B1 ASN 111 HA 0.07 0.17 0.60 -0.75 4.76 4.84 1vh4B1 ASN 111 HB2 0.07 -0.09 0.21 -0.04 2.88 3.02 1vh4B1 ASN 111 HB3 0.07 0.14 -0.06 -0.04 2.79 2.90 1vh4B1 ASN 111 HD21 -0.03 0.03 -0.08 -0.04 7.03 6.90 1vh4B1 ASN 111 HD22 0.06 0.02 -0.18 -0.04 7.74 7.59 1vh4B1 ASP 112 H 0.06 0.17 0.17 -0.55 8.40 8.25 1vh4B1 ASP 112 HA 0.05 0.22 0.95 -0.75 4.63 5.09 1vh4B1 ASP 112 HB2 0.02 0.07 0.13 -0.04 2.71 2.90 1vh4B1 ASP 112 HB3 0.02 -0.03 0.17 -0.04 2.70 2.82 1vh4B1 ASP 113 H 0.14 0.07 -0.18 -0.55 8.40 7.88 1vh4B1 ASP 113 HA 0.04 0.09 0.69 -0.75 4.63 4.70 1vh4B1 ASP 113 HB2 0.01 0.04 0.10 -0.04 2.71 2.81 1vh4B1 ASP 113 HB3 -0.02 0.03 0.13 -0.04 2.70 2.79 1vh4B1 ARG 114 H 0.04 0.15 0.18 -0.55 8.46 8.28 1vh4B1 ARG 114 HA 0.12 0.24 0.83 -0.75 4.34 4.77 1vh4B1 ARG 114 HB2 0.04 -0.08 0.04 -0.04 1.90 1.87 1vh4B1 ARG 114 HB3 0.04 0.04 0.09 -0.04 1.80 1.93 1vh4B1 ARG 114 HG2 0.05 0.07 -0.31 -0.04 1.67 1.44 1vh4B1 ARG 114 HG3 0.05 0.16 -0.36 -0.04 1.67 1.48 1vh4B1 ARG 114 HD2 0.05 -0.18 -0.06 -0.04 3.22 2.98 1vh4B1 ARG 114 HD3 0.02 0.02 -0.10 -0.04 3.22 3.11 1vh4B1 GLN 115 H 0.01 0.07 -0.03 -0.55 8.47 7.97 1vh4B1 GLN 115 HA 0.01 0.10 0.29 -0.75 4.36 4.00 1vh4B1 GLN 115 HB2 -0.01 0.06 0.01 -0.04 2.15 2.18 1vh4B1 GLN 115 HB3 -0.00 -0.02 0.10 -0.04 2.02 2.06 1vh4B1 GLN 115 HG2 -0.02 -0.10 0.00 -0.04 2.40 2.24 1vh4B1 GLN 115 HG3 -0.02 0.06 -0.13 -0.04 2.39 2.25 1vh4B1 GLN 115 HE21 -0.01 0.03 -0.00 -0.04 6.97 6.94 1vh4B1 GLN 115 HE22 -0.02 -0.06 0.01 -0.04 7.69 7.58 1vh4B1 GLY 116 H -0.02 0.03 -0.36 -0.55 8.43 7.53 1vh4B1 GLY 116 HA2 -0.02 0.15 0.51 -0.51 4.01 4.14 1vh4B1 GLY 116 HA3 -0.03 -0.04 0.20 -0.51 4.01 3.63 1vh4B1 LEU 117 H -0.02 0.35 -0.35 -0.55 8.37 7.79 1vh4B1 LEU 117 HA -0.28 0.06 0.45 -0.75 4.35 3.83 1vh4B1 LEU 117 HB2 -0.02 0.05 0.04 -0.04 1.64 1.67 1vh4B1 LEU 117 HB3 -0.07 0.07 -0.05 -0.04 1.64 1.55 1vh4B1 LEU 117 HG 0.01 -0.11 -0.04 -0.04 1.64 1.46 1vh4B1 LEU 117 HD13 -0.01 -0.00 -0.06 -0.04 0.93 0.81 1vh4B1 LEU 117 HD23 -0.18 0.00 -0.11 -0.04 0.89 0.55 1vh4B1 PRO 118 HA 0.00 0.06 0.44 -0.51 4.44 4.44 1vh4B1 PRO 118 HB2 0.05 0.12 -0.05 -0.04 2.28 2.36 1vh4B1 PRO 118 HB3 0.04 -0.00 0.05 -0.04 2.02 2.07 1vh4B1 PRO 118 HG2 0.11 0.00 -0.07 -0.04 2.03 2.03 1vh4B1 PRO 118 HG3 0.18 0.00 -0.03 -0.04 2.03 2.14 1vh4B1 PRO 118 HD2 -0.24 0.03 0.13 -0.04 3.68 3.56 1vh4B1 PRO 118 HD3 -0.24 0.21 0.18 -0.04 3.65 3.76 1vh4B1 ASP 119 H 0.02 0.06 0.07 -0.55 8.40 8.00 1vh4B1 ASP 119 HA 0.03 0.08 0.40 -0.75 4.63 4.39 1vh4B1 ASP 119 HB2 0.02 -0.02 -0.03 -0.04 2.71 2.64 1vh4B1 ASP 119 HB3 0.01 0.04 -0.01 -0.04 2.70 2.69 1vh4B1 ALA 120 H 0.03 0.08 0.04 -0.55 8.40 8.01 1vh4B1 ALA 120 HA -0.05 0.07 0.27 -0.75 4.34 3.87 1vh4B1 ALA 120 HB3 -0.08 0.00 -0.12 -0.04 1.41 1.17 1vh4B1 ILE 121 H -0.10 0.10 0.03 -0.55 8.25 7.74 1vh4B1 ILE 121 HA -0.03 0.15 0.41 -0.75 4.18 3.96 1vh4B1 ILE 121 HB -0.09 -0.06 0.01 -0.04 1.89 1.70 1vh4B1 ILE 121 HG12 0.04 0.03 -0.10 -0.04 1.49 1.42 1vh4B1 ILE 121 HG13 0.01 0.03 -0.06 -0.04 1.21 1.15 1vh4B1 ILE 121 HG23 0.02 0.00 -0.29 -0.04 0.93 0.61 1vh4B1 ILE 121 HD13 0.06 -0.00 -0.23 -0.04 0.88 0.67 1vh4B1 GLN 122 H -0.32 0.07 -0.16 -0.55 8.47 7.51 1vh4B1 GLN 122 HA -0.56 0.20 0.70 -0.75 4.36 3.94 1vh4B1 GLN 122 HB2 -1.59 0.00 -0.16 -0.04 2.15 0.36 1vh4B1 GLN 122 HB3 -0.41 -0.05 0.05 -0.04 2.02 1.57 1vh4B1 GLN 122 HG2 -0.54 0.14 -0.28 -0.04 2.40 1.67 1vh4B1 GLN 122 HG3 -2.08 0.02 -0.07 -0.04 2.39 0.21 1vh4B1 GLN 122 HE21 -0.05 0.02 -0.18 -0.04 6.97 6.72 1vh4B1 GLN 122 HE22 -0.30 -0.05 -0.10 -0.04 7.69 7.19 1vh4B1 ALA 123 H -0.18 0.20 -0.14 -0.55 8.40 7.73 1vh4B1 ALA 123 HA -0.30 -0.01 0.32 -0.75 4.34 3.59 1vh4B1 ALA 123 HB3 0.07 0.02 -0.04 -0.04 1.41 1.42 1vh4B1 GLU 124 H -0.45 0.21 0.19 -0.55 8.60 8.00 1vh4B1 GLU 124 HA 0.05 0.16 0.40 -0.75 4.29 4.14 1vh4B1 GLU 124 HB2 0.19 -0.06 0.06 -0.04 2.09 2.24 1vh4B1 GLU 124 HB3 0.05 0.22 -0.07 -0.04 1.99 2.15 1vh4B1 GLU 124 HG2 0.18 0.10 -0.17 -0.04 2.34 2.40 1vh4B1 GLU 124 HG3 0.01 0.02 -0.11 -0.04 2.34 2.22 1vh4B1 VAL 125 H 0.12 0.25 0.08 -0.55 8.24 8.14 1vh4B1 VAL 125 HA 0.06 0.09 0.26 -0.75 4.13 3.79 1vh4B1 VAL 125 HB -0.06 0.20 0.10 -0.04 2.12 2.33 1vh4B1 VAL 125 HG13 0.01 -0.02 0.03 -0.04 0.97 0.95 1vh4B1 VAL 125 HG23 -0.37 0.00 -0.17 -0.04 0.95 0.38 1vh4B1 PHE 126 H 0.34 0.12 -0.16 -0.55 8.34 8.09 1vh4B1 PHE 126 HA -0.02 0.12 0.46 -0.75 4.62 4.41 1vh4B1 PHE 126 HB2 0.28 0.01 -0.02 -0.04 3.15 3.38 1vh4B1 PHE 126 HB3 0.20 0.07 -0.04 -0.04 3.06 3.25 1vh4B1 PHE 126 HD2 0.28 -0.01 -0.03 -0.04 7.28 7.48 1vh4B1 PHE 126 HE2 -0.28 0.03 -0.07 -0.04 7.38 7.02 1vh4B1 PHE 126 HZ -0.23 0.01 -0.07 -0.04 7.32 6.99 1vh4B1 LEU 127 H 0.04 0.15 -0.28 -0.55 8.37 7.74 1vh4B1 LEU 127 HA -0.06 0.10 0.44 -0.75 4.35 4.09 1vh4B1 LEU 127 HB2 -0.23 0.01 0.05 -0.04 1.64 1.43 1vh4B1 LEU 127 HB3 -0.37 0.05 0.18 -0.04 1.64 1.46 1vh4B1 LEU 127 HG -0.29 0.03 -0.02 -0.04 1.64 1.33 1vh4B1 LEU 127 HD13 -0.74 -0.00 -0.11 -0.04 0.93 0.04 1vh4B1 LEU 127 HD23 -0.35 -0.02 -0.29 -0.04 0.89 0.19 1vh4B1 HIS 128 H -0.25 0.43 -0.15 -0.55 8.41 7.90 1vh4B1 HIS 128 HA -0.05 -0.01 0.23 -0.75 4.63 4.04 1vh4B1 HIS 128 HB2 -0.07 0.14 0.02 -0.04 3.26 3.31 1vh4B1 HIS 128 HB3 -0.02 0.19 -0.00 -0.04 3.20 3.33 1vh4B1 HIS 128 HD2 -0.03 0.02 -0.39 -0.04 6.97 6.52 1vh4B1 HIS 128 HE1 0.01 -0.01 -0.09 -0.04 7.75 7.61 1vh4B1 LEU 129 H -0.11 0.35 -0.31 -0.55 8.37 7.76 1vh4B1 LEU 129 HA -0.22 0.06 0.33 -0.75 4.35 3.76 1vh4B1 LEU 129 HB2 -0.43 0.03 0.03 -0.04 1.64 1.23 1vh4B1 LEU 129 HB3 -0.24 0.06 0.10 -0.04 1.64 1.52 1vh4B1 LEU 129 HG -0.83 -0.00 -0.32 -0.04 1.64 0.45 1vh4B1 LEU 129 HD13 -0.61 0.00 -0.05 -0.04 0.93 0.23 1vh4B1 LEU 129 HD23 -0.94 -0.01 -0.10 -0.04 0.89 -0.20 1vh4B1 THR 130 H -0.12 0.50 -0.17 -0.55 8.28 7.95 1vh4B1 THR 130 HA -0.27 0.00 0.37 -0.75 4.39 3.74 1vh4B1 THR 130 HB -0.03 0.09 0.08 -0.04 4.32 4.41 1vh4B1 THR 130 HG23 0.02 -0.06 -0.33 -0.04 1.22 0.81 1vh4B1 GLU 131 H -0.18 0.54 -0.19 -0.55 8.60 8.22 1vh4B1 GLU 131 HA -0.16 0.00 0.27 -0.75 4.29 3.65 1vh4B1 GLU 131 HB2 -0.44 0.06 0.07 -0.04 2.09 1.74 1vh4B1 GLU 131 HB3 -0.48 -0.06 -0.08 -0.04 1.99 1.33 1vh4B1 GLU 131 HG2 -0.33 0.10 0.01 -0.04 2.34 2.08 1vh4B1 GLU 131 HG3 -0.97 -0.10 -0.11 -0.04 2.34 1.11 1vh4B1 SER 132 H -0.09 0.50 -0.29 -0.55 8.46 8.04 1vh4B1 SER 132 HA 0.15 -0.04 0.43 -0.75 4.49 4.28 1vh4B1 SER 132 HB2 -0.13 -0.05 0.00 -0.04 3.95 3.73 1vh4B1 SER 132 HB3 -0.06 -0.01 -0.06 -0.04 3.93 3.76 1vh4B1 LEU 133 H -0.16 0.44 -0.15 -0.55 8.37 7.96 1vh4B1 LEU 133 HA 0.05 0.18 0.68 -0.75 4.35 4.51 1vh4B1 LEU 133 HB2 -0.47 -0.02 -0.02 -0.04 1.64 1.09 1vh4B1 LEU 133 HB3 -0.06 -0.07 -0.04 -0.04 1.64 1.42 1vh4B1 LEU 133 HG -0.20 0.03 -0.06 -0.04 1.64 1.37 1vh4B1 LEU 133 HD13 -0.33 -0.04 -0.09 -0.04 0.93 0.43 1vh4B1 LEU 133 HD23 0.13 0.05 -0.15 -0.04 0.89 0.88 1vh4B1 ALA 134 H -0.07 0.49 -0.12 -0.55 8.40 8.16 1vh4B1 ALA 134 HA -0.05 0.07 0.57 -0.75 4.34 4.18 1vh4B1 ALA 134 HB3 -0.07 -0.02 -0.00 -0.04 1.41 1.28 1vh4B1 GLN 135 H -0.04 0.13 0.33 -0.55 8.47 8.35 1vh4B1 GLN 135 HA -0.02 0.18 0.59 -0.75 4.36 4.36 1vh4B1 GLN 135 HB2 -0.00 0.03 0.23 -0.04 2.15 2.36 1vh4B1 GLN 135 HB3 0.00 -0.08 0.14 -0.04 2.02 2.04 1vh4B1 GLN 135 HG2 -0.02 -0.01 0.07 -0.04 2.40 2.40 1vh4B1 GLN 135 HG3 -0.02 0.20 0.07 -0.04 2.39 2.60 1vh4B1 GLN 135 HE21 0.01 -0.05 0.03 -0.04 6.97 6.93 1vh4B1 GLN 135 HE22 0.00 0.09 0.05 -0.04 7.69 7.80 1vh4B1 SER 136 H -0.02 0.22 0.04 -0.55 8.46 8.14 1vh4B1 SER 136 HA 0.00 0.11 0.51 -0.75 4.49 4.36 1vh4B1 SER 136 HB2 0.04 -0.07 -0.01 -0.04 3.95 3.87 1vh4B1 SER 136 HB3 0.05 0.09 -0.27 -0.04 3.93 3.76 1vh4B1 VAL 137 H -0.05 0.76 0.35 -0.55 8.24 8.75 1vh4B1 VAL 137 HA -0.16 0.32 0.94 -0.75 4.13 4.48 1vh4B1 VAL 137 HB -0.37 0.03 0.10 -0.04 2.12 1.85 1vh4B1 VAL 137 HG13 -0.38 -0.03 -0.31 -0.04 0.97 0.20 1vh4B1 VAL 137 HG23 -0.08 -0.01 -0.18 -0.04 0.95 0.64 1vh4B1 THR 138 H -0.13 0.54 0.33 -0.55 8.28 8.48 1vh4B1 THR 138 HA -0.05 0.11 0.84 -0.75 4.39 4.55 1vh4B1 THR 138 HB 0.11 -0.10 0.28 -0.04 4.32 4.57 1vh4B1 THR 138 HG23 0.02 0.00 -0.14 -0.04 1.22 1.07 1vh4B1 HIS 139 H -0.01 0.69 0.38 -0.55 8.41 8.92 1vh4B1 HIS 139 HA 0.07 0.12 0.82 -0.75 4.63 4.89 1vh4B1 HIS 139 HB2 0.02 -0.05 0.30 -0.04 3.26 3.50 1vh4B1 HIS 139 HB3 0.05 -0.02 0.06 -0.04 3.20 3.24 1vh4B1 HIS 139 HD2 0.01 -0.03 0.04 -0.04 6.97 6.94 1vh4B1 HIS 139 HE1 -0.01 -0.02 0.02 -0.04 7.75 7.69 1vh4B1 ILE 140 H 0.12 0.77 0.48 -0.55 8.25 9.07 1vh4B1 ILE 140 HA 0.09 0.30 1.13 -0.75 4.18 4.95 1vh4B1 ILE 140 HB 0.07 -0.05 0.16 -0.04 1.89 2.03 1vh4B1 ILE 140 HG12 -0.02 -0.03 -0.16 -0.04 1.49 1.24 1vh4B1 ILE 140 HG13 -0.02 -0.03 -0.51 -0.04 1.21 0.61 1vh4B1 ILE 140 HG23 0.12 -0.01 -0.10 -0.04 0.93 0.90 1vh4B1 ILE 140 HD13 -0.16 -0.02 -0.15 -0.04 0.88 0.51 1vh4B1 ALA 141 H 0.12 0.58 0.36 -0.55 8.40 8.91 1vh4B1 ALA 141 HA 0.11 0.24 1.01 -0.75 4.34 4.95 1vh4B1 ALA 141 HB3 0.08 -0.01 -0.04 -0.04 1.41 1.40 1vh4B1 VAL 142 H 0.08 0.65 0.38 -0.55 8.24 8.80 1vh4B1 VAL 142 HA -0.00 0.22 0.99 -0.75 4.13 4.59 1vh4B1 VAL 142 HB 0.04 -0.08 0.24 -0.04 2.12 2.27 1vh4B1 VAL 142 HG13 -0.07 0.08 0.02 -0.04 0.97 0.97 1vh4B1 VAL 142 HG23 0.06 0.01 -0.08 -0.04 0.95 0.91 1vh4B1 LYS 143 H -0.01 0.16 0.13 -0.55 8.42 8.15 1vh4B1 LYS 143 HA 0.02 0.04 0.54 -0.75 4.32 4.17 1vh4B1 LYS 143 HB2 -0.00 0.06 0.06 -0.04 1.87 1.94 1vh4B1 LYS 143 HB3 0.01 -0.02 0.12 -0.04 1.79 1.86 1vh4B1 LYS 143 HG2 0.02 -0.00 -0.02 -0.04 1.46 1.42 1vh4B1 LYS 143 HG3 0.01 -0.01 -0.00 -0.04 1.46 1.42 1vh4B1 LYS 143 HD2 0.01 0.01 0.01 -0.04 1.69 1.68 1vh4B1 LYS 143 HD3 0.01 -0.01 -0.01 -0.04 1.68 1.62 1vh4B1 LYS 143 HE2 -0.01 0.06 0.00 -0.04 2.99 3.00 1vh4B1 LYS 143 HE3 0.00 -0.00 -0.01 -0.04 2.99 2.94 1vh4B1 ARG 144 H 0.01 0.04 0.15 -0.55 8.46 8.11 1vh4B1 ARG 144 HA 0.02 0.18 0.30 -0.75 4.34 4.08 1vh4B1 ARG 144 HB2 0.01 -0.09 0.17 -0.04 1.90 1.95 1vh4B1 ARG 144 HB3 0.01 -0.05 0.14 -0.04 1.80 1.86 1vh4B1 ARG 144 HG2 0.01 0.07 -0.28 -0.04 1.67 1.43 1vh4B1 ARG 144 HG3 0.01 0.06 0.01 -0.04 1.67 1.72 1vh4B1 ARG 144 HD2 0.01 -0.02 -0.02 -0.04 3.22 3.15 1vh4B1 ARG 144 HD3 0.01 0.01 -0.04 -0.04 3.22 3.17 1vh4B1 GLY 145 H 0.01 0.60 0.14 -0.55 8.43 8.63 1vh4B1 GLY 145 HA2 0.01 0.16 0.14 -0.51 4.01 3.81 1vh4B1 GLY 145 HA3 0.00 -0.06 0.24 -0.51 4.01 3.68 1vh4B1 GLN 146 H -0.01 0.46 -0.43 -0.55 8.47 7.95 1vh4B1 GLN 146 HA -0.03 0.06 0.59 -0.75 4.36 4.22 1vh4B1 GLN 146 HB2 -0.05 -0.01 0.09 -0.04 2.15 2.14 1vh4B1 GLN 146 HB3 -0.07 -0.05 0.06 -0.04 2.02 1.92 1vh4B1 GLN 146 HG2 -0.02 0.17 -0.28 -0.04 2.40 2.24 1vh4B1 GLN 146 HG3 -0.03 -0.17 0.01 -0.04 2.39 2.16 1vh4B1 GLN 146 HE21 -0.01 -0.06 -0.08 -0.04 6.97 6.77 1vh4B1 GLN 146 HE22 -0.01 0.35 -0.10 -0.04 7.69 7.89 1vh4B1 ARG 147 H -0.05 0.11 0.10 -0.55 8.46 8.08 1vh4B1 ARG 147 HA -0.05 0.37 1.01 -0.75 4.34 4.91 1vh4B1 ARG 147 HB2 -0.04 -0.08 0.22 -0.04 1.90 1.96 1vh4B1 ARG 147 HB3 -0.04 0.05 0.12 -0.04 1.80 1.88 1vh4B1 ARG 147 HG2 -0.02 0.04 -0.03 -0.04 1.67 1.62 1vh4B1 ARG 147 HG3 -0.02 0.08 -0.29 -0.04 1.67 1.40 1vh4B1 ARG 147 HD2 -0.03 -0.06 0.02 -0.04 3.22 3.11 1vh4B1 ARG 147 HD3 -0.04 -0.03 0.00 -0.04 3.22 3.12 1vh4B1 PRO 148 HA -0.15 -0.02 0.52 -0.51 4.44 4.28 1vh4B1 PRO 148 HB2 -0.18 0.08 0.08 -0.04 2.28 2.21 1vh4B1 PRO 148 HB3 -0.56 0.13 0.18 -0.04 2.02 1.72 1vh4B1 PRO 148 HG2 -0.77 -0.03 0.03 -0.04 2.03 1.22 1vh4B1 PRO 148 HG3 -0.62 0.02 0.03 -0.04 2.03 1.42 1vh4B1 PRO 148 HD2 -0.11 0.43 0.31 -0.04 3.68 4.26 1vh4B1 PRO 148 HD3 -0.16 0.05 -0.17 -0.04 3.65 3.34 1vh4B1 ALA 149 H -0.03 0.12 0.26 -0.55 8.40 8.20 1vh4B1 ALA 149 HA -0.01 0.12 0.48 -0.75 4.34 4.18 1vh4B1 ALA 149 HB3 -0.00 -0.02 0.12 -0.04 1.41 1.47 1vh4B1 LYS 150 H 0.07 0.09 -0.02 -0.55 8.42 8.01 1vh4B1 LYS 150 HA 0.04 0.23 0.94 -0.75 4.32 4.78 1vh4B1 LYS 150 HB2 0.10 -0.07 -0.01 -0.04 1.87 1.85 1vh4B1 LYS 150 HB3 0.05 0.06 -0.00 -0.04 1.79 1.87 1vh4B1 LYS 150 HG2 0.02 0.08 -0.11 -0.04 1.46 1.40 1vh4B1 LYS 150 HG3 0.03 -0.10 -0.24 -0.04 1.46 1.12 1vh4B1 LYS 150 HD2 0.04 -0.01 -0.16 -0.04 1.69 1.52 1vh4B1 LYS 150 HD3 0.02 -0.01 -0.32 -0.04 1.68 1.33 1vh4B1 LYS 150 HE2 0.01 -0.01 -0.08 -0.04 2.99 2.87 1vh4B1 LYS 150 HE3 0.02 -0.02 -0.07 -0.04 2.99 2.88 1vh4B1 PRO 151 HA 0.14 0.16 0.66 -0.51 4.44 4.90 1vh4B1 PRO 151 HB2 0.01 0.04 -0.15 -0.04 2.28 2.13 1vh4B1 PRO 151 HB3 0.03 -0.02 0.06 -0.04 2.02 2.05 1vh4B1 PRO 151 HG2 -0.00 -0.04 -0.02 -0.04 2.03 1.93 1vh4B1 PRO 151 HG3 -0.00 -0.03 0.02 -0.04 2.03 1.98 1vh4B1 PRO 151 HD2 0.03 0.25 0.35 -0.04 3.68 4.27 1vh4B1 PRO 151 HD3 0.02 0.14 0.20 -0.04 3.65 3.98 1vh4B1 LEU 152 H -0.02 0.54 0.40 -0.55 8.37 8.74 1vh4B1 LEU 152 HA -0.28 0.18 0.83 -0.75 4.35 4.33 1vh4B1 LEU 152 HB2 -1.39 0.02 0.10 -0.04 1.64 0.33 1vh4B1 LEU 152 HB3 -0.27 -0.03 0.25 -0.04 1.64 1.55 1vh4B1 LEU 152 HG -0.18 -0.04 -0.27 -0.04 1.64 1.12 1vh4B1 LEU 152 HD13 -0.35 0.07 -0.00 -0.04 0.93 0.60 1vh4B1 LEU 152 HD23 -0.22 -0.02 -0.09 -0.04 0.89 0.53 1vh4B1 LEU 153 H -0.10 0.79 0.34 -0.55 8.37 8.85 1vh4B1 LEU 153 HA -0.04 0.20 1.06 -0.75 4.35 4.81 1vh4B1 LEU 153 HB2 -0.04 0.00 -0.16 -0.04 1.64 1.39 1vh4B1 LEU 153 HB3 -0.04 -0.04 0.01 -0.04 1.64 1.53 1vh4B1 LEU 153 HG -0.02 -0.04 -0.45 -0.04 1.64 1.09 1vh4B1 LEU 153 HD13 -0.03 0.04 -0.19 -0.04 0.93 0.71 1vh4B1 LEU 153 HD23 -0.02 -0.01 -0.14 -0.04 0.89 0.67 1vh4B1 LEU 154 H -0.03 0.86 0.30 -0.55 8.37 8.96 1vh4B1 LEU 154 HA -0.01 0.16 0.91 -0.75 4.35 4.66 1vh4B1 LEU 154 HB2 -0.07 -0.04 0.24 -0.04 1.64 1.73 1vh4B1 LEU 154 HB3 -0.50 -0.02 0.01 -0.04 1.64 1.09 1vh4B1 LEU 154 HG -0.05 0.02 -0.17 -0.04 1.64 1.41 1vh4B1 LEU 154 HD13 -0.45 -0.01 -0.12 -0.04 0.93 0.30 1vh4B1 LEU 154 HD23 -0.12 0.01 -0.16 -0.04 0.89 0.58 1vh4B1 MET 155 H -0.05 0.75 0.28 -0.55 8.47 8.91 1vh4B1 MET 155 HA -0.07 0.19 1.02 -0.75 4.52 4.91 1vh4B1 MET 155 HB2 0.01 -0.03 -0.02 -0.04 2.15 2.07 1vh4B1 MET 155 HB3 -0.04 -0.02 0.14 -0.04 2.03 2.06 1vh4B1 MET 155 HG2 -0.05 -0.00 -0.31 -0.04 2.63 2.23 1vh4B1 MET 155 HG3 0.06 0.02 -0.06 -0.04 2.56 2.53 1vh4B1 MET 155 HE3 0.04 0.08 -0.27 -0.04 2.10 1.91 1vh4B1 HIS 156 H -0.15 0.82 0.36 -0.55 8.41 8.89 1vh4B1 HIS 156 HA -0.12 0.19 1.02 -0.75 4.63 4.97 1vh4B1 HIS 156 HB2 -0.58 -0.06 0.18 -0.04 3.26 2.76 1vh4B1 HIS 156 HB3 -0.86 -0.06 -0.05 -0.04 3.20 2.18 1vh4B1 HIS 156 HD2 -1.49 -0.04 -0.16 -0.04 6.97 5.23 1vh4B1 HIS 156 HE1 -0.43 -0.03 -0.04 -0.04 7.75 7.21 1vh4B1 ILE 157 H 0.08 0.79 0.32 -0.55 8.25 8.88 1vh4B1 ILE 157 HA 0.02 0.31 0.99 -0.75 4.18 4.74 1vh4B1 ILE 157 HB 0.03 -0.05 0.12 -0.04 1.89 1.95 1vh4B1 ILE 157 HG12 -0.01 0.09 -0.21 -0.04 1.49 1.32 1vh4B1 ILE 157 HG13 -0.02 -0.06 -0.49 -0.04 1.21 0.60 1vh4B1 ILE 157 HG23 0.02 -0.01 -0.26 -0.04 0.93 0.65 1vh4B1 ILE 157 HD13 0.00 -0.00 -0.16 -0.04 0.88 0.67 1vh4B1 THR 158 H -0.00 0.64 0.27 -0.55 8.28 8.64 1vh4B1 THR 158 HA 0.01 0.05 1.04 -0.75 4.39 4.74 1vh4B1 THR 158 HB -0.58 0.02 0.01 -0.04 4.32 3.73 1vh4B1 THR 158 HG23 -0.17 0.02 -0.13 -0.04 1.22 0.90 1vh4B1 GLN 159 H -0.04 0.24 0.16 -0.55 8.47 8.29 1vh4B1 GLN 159 HA 0.04 0.07 0.99 -0.75 4.36 4.71 1vh4B1 GLN 159 HB2 0.06 0.06 0.06 -0.04 2.15 2.29 1vh4B1 GLN 159 HB3 0.03 -0.06 -0.12 -0.04 2.02 1.83 1vh4B1 GLN 159 HG2 0.03 -0.07 0.03 -0.04 2.40 2.36 1vh4B1 GLN 159 HG3 0.05 0.14 -0.29 -0.04 2.39 2.25 1vh4B1 GLN 159 HE21 0.03 -0.02 -0.10 -0.04 6.97 6.84 1vh4B1 GLN 159 HE22 0.03 -0.04 -0.08 -0.04 7.69 7.56 1vh4B1 GLY 160 H 0.17 0.08 0.02 -0.55 8.43 8.15 1vh4B1 GLY 160 HA2 0.17 0.09 0.69 -0.51 4.01 4.46 1vh4B1 GLY 160 HA3 0.17 0.20 0.00 -0.51 4.01 3.87 1vh4B1 VAL 161 H 0.09 0.22 0.12 -0.55 8.24 8.12 1vh4B1 VAL 161 HA 0.06 0.12 0.81 -0.75 4.13 4.37 1vh4B1 VAL 161 HB 0.05 -0.02 0.08 -0.04 2.12 2.19 1vh4B1 VAL 161 HG13 0.07 -0.01 -0.12 -0.04 0.97 0.87 1vh4B1 VAL 161 HG23 0.06 0.03 -0.18 -0.04 0.95 0.82 1vh4B1 ALA 162 H 0.04 0.06 0.11 -0.55 8.40 8.06 1vh4B1 ALA 162 HA 0.04 0.08 0.48 -0.75 4.34 4.18 1vh4B1 ALA 162 HB3 0.03 -0.01 0.11 -0.04 1.41 1.49 1vh4B1 GLY 163 H 0.02 0.09 0.19 -0.55 8.43 8.18 1vh4B1 GLY 163 HA2 0.01 0.00 0.32 -0.51 4.01 3.83 1vh4B1 GLY 163 HA3 0.01 0.09 0.68 -0.51 4.01 4.29 1vh4B1 GLU 164 H -0.00 0.07 0.17 -0.55 8.60 8.30 1vh4B1 GLU 164 HA -0.01 0.19 0.70 -0.75 4.29 4.41 1vh4B1 GLU 164 HB2 -0.02 0.00 0.11 -0.04 2.09 2.13 1vh4B1 GLU 164 HB3 -0.03 0.00 0.10 -0.04 1.99 2.01 1vh4B1 GLU 164 HG2 -0.01 0.00 0.00 -0.04 2.34 2.29 1vh4B1 GLU 164 HG3 -0.01 0.00 -0.02 -0.04 2.34 2.28 1vh4B1 GLU 165 H -0.00 -0.03 -0.08 -0.55 8.60 7.93 1vh4B1 GLU 165 HA -0.07 0.17 0.43 -0.75 4.29 4.06 1vh4B1 GLU 165 HB2 0.02 -0.02 -0.04 -0.04 2.09 2.01 1vh4B1 GLU 165 HB3 0.02 0.01 -0.19 -0.04 1.99 1.79 1vh4B1 GLU 165 HG2 -0.01 0.08 -0.15 -0.04 2.34 2.21 1vh4B1 GLU 165 HG3 -0.02 -0.11 -0.02 -0.04 2.34 2.16 1vh4B1 VAL 166 H -0.11 0.69 0.33 -0.55 8.24 8.61 1vh4B1 VAL 166 HA 0.06 0.20 0.96 -0.75 4.13 4.59 1vh4B1 VAL 166 HB -0.43 -0.02 0.08 -0.04 2.12 1.70 1vh4B1 VAL 166 HG13 0.22 -0.00 -0.25 -0.04 0.97 0.90 1vh4B1 VAL 166 HG23 -0.15 0.03 -0.07 -0.04 0.95 0.71 1vh4B1 ASN 167 H 0.16 0.17 0.20 -0.55 8.53 8.51 1vh4B1 ASN 167 HA 0.20 0.14 0.62 -0.75 4.76 4.96 1vh4B1 ASN 167 HB2 0.13 -0.12 0.13 -0.04 2.88 2.97 1vh4B1 ASN 167 HB3 0.17 0.06 0.20 -0.04 2.79 3.18 1vh4B1 ASN 167 HD21 0.07 0.22 0.12 -0.04 7.03 7.39 1vh4B1 ASN 167 HD22 0.08 0.52 0.15 -0.04 7.74 8.45 1vh4B1 THR 168 H 0.23 0.49 0.45 -0.55 8.28 8.90 1vh4B1 THR 168 HA 0.22 0.20 1.08 -0.75 4.39 5.13 1vh4B1 THR 168 HB 0.66 -0.02 -0.02 -0.04 4.32 4.89 1vh4B1 THR 168 HG23 0.29 0.04 0.04 -0.04 1.22 1.55 1vh4B1 ALA 169 H -0.20 0.54 0.33 -0.55 8.40 8.52 1vh4B1 ALA 169 HA -0.14 0.22 0.67 -0.75 4.34 4.33 1vh4B1 ALA 169 HB3 -0.19 -0.02 -0.09 -0.04 1.41 1.07 1vh4B1 HIS 170 H -0.22 0.30 0.10 -0.55 8.41 8.04 1vh4B1 HIS 170 HA -0.23 0.27 1.01 -0.75 4.63 4.93 1vh4B1 HIS 170 HB2 -0.17 0.06 -0.09 -0.04 3.26 3.03 1vh4B1 HIS 170 HB3 -0.16 0.06 -0.04 -0.04 3.20 3.01 1vh4B1 HIS 170 HD2 -0.14 0.05 -0.33 -0.04 6.97 6.50 1vh4B1 HIS 170 HE1 -0.39 -0.02 -0.14 -0.04 7.75 7.16 1vh4B1 TYR 171 H 0.05 0.64 0.30 -0.55 8.29 8.73 1vh4B1 TYR 171 HA -0.13 0.17 0.83 -0.75 4.56 4.68 1vh4B1 TYR 171 HB2 0.00 -0.04 0.10 -0.04 3.06 3.08 1vh4B1 TYR 171 HB3 -0.21 -0.00 -0.09 -0.04 2.98 2.64 1vh4B1 TYR 171 HD2 0.03 0.14 -0.11 -0.04 7.15 7.17 1vh4B1 TYR 171 HE2 0.15 -0.02 -0.24 -0.04 6.85 6.70 1vh4B1 ARG 172 H -0.32 0.25 0.19 -0.55 8.46 8.03 1vh4B1 ARG 172 HA -0.20 0.29 1.07 -0.75 4.34 4.74 1vh4B1 ARG 172 HB2 -0.11 0.05 -0.17 -0.04 1.90 1.62 1vh4B1 ARG 172 HB3 -0.15 0.18 0.23 -0.04 1.80 2.02 1vh4B1 ARG 172 HG2 -0.10 0.01 -0.06 -0.04 1.67 1.48 1vh4B1 ARG 172 HG3 -0.12 -0.07 -0.16 -0.04 1.67 1.27 1vh4B1 ARG 172 HD2 -0.07 0.20 0.17 -0.04 3.22 3.48 1vh4B1 ARG 172 HD3 -0.10 -0.01 -0.07 -0.04 3.22 3.00 1vh4B1 HIS 173 H -0.20 0.67 0.46 -0.55 8.41 8.79 1vh4B1 HIS 173 HA -0.25 0.03 0.95 -0.75 4.63 4.62 1vh4B1 HIS 173 HB2 -1.11 -0.05 -0.00 -0.04 3.26 2.06 1vh4B1 HIS 173 HB3 -0.58 0.09 0.09 -0.04 3.20 2.76 1vh4B1 HIS 173 HD2 -0.08 -0.02 -0.19 -0.04 6.97 6.63 1vh4B1 HIS 173 HE1 -1.93 -0.00 -0.17 -0.04 7.75 5.60 1vh4B1 HIS 174 H -0.06 0.76 0.36 -0.55 8.41 8.92 1vh4B1 HIS 174 HA 0.04 0.33 1.12 -0.75 4.63 5.36 1vh4B1 HIS 174 HB2 -0.00 -0.01 -0.09 -0.04 3.26 3.11 1vh4B1 HIS 174 HB3 0.02 -0.05 0.08 -0.04 3.20 3.21 1vh4B1 HIS 174 HD2 0.11 -0.05 -0.26 -0.04 6.97 6.72 1vh4B1 HIS 174 HE1 0.07 -0.04 -0.16 -0.04 7.75 7.58 1vh4B1 LEU 175 H -0.23 0.62 0.43 -0.55 8.37 8.63 1vh4B1 LEU 175 HA 0.05 0.31 1.07 -0.75 4.35 5.02 1vh4B1 LEU 175 HB2 0.29 -0.02 -0.04 -0.04 1.64 1.83 1vh4B1 LEU 175 HB3 0.30 -0.02 0.13 -0.04 1.64 2.01 1vh4B1 LEU 175 HG 0.10 -0.02 -0.50 -0.04 1.64 1.18 1vh4B1 LEU 175 HD13 0.17 0.02 -0.21 -0.04 0.93 0.86 1vh4B1 LEU 175 HD23 0.17 -0.01 -0.14 -0.04 0.89 0.87 1vh4B1 ASP 176 H 0.09 0.67 0.36 -0.55 8.40 8.97 1vh4B1 ASP 176 HA 0.04 0.17 1.10 -0.75 4.63 5.19 1vh4B1 ASP 176 HB2 0.20 0.01 0.03 -0.04 2.71 2.91 1vh4B1 ASP 176 HB3 0.11 -0.04 0.22 -0.04 2.70 2.95 1vh4B1 LEU 177 H 0.05 0.75 0.28 -0.55 8.37 8.91 1vh4B1 LEU 177 HA 0.06 0.11 0.98 -0.75 4.35 4.75 1vh4B1 LEU 177 HB2 0.05 -0.06 0.30 -0.04 1.64 1.89 1vh4B1 LEU 177 HB3 0.06 0.10 0.02 -0.04 1.64 1.78 1vh4B1 LEU 177 HG 0.07 -0.03 -0.14 -0.04 1.64 1.51 1vh4B1 LEU 177 HD13 0.08 0.01 -0.14 -0.04 0.93 0.84 1vh4B1 LEU 177 HD23 0.10 0.01 -0.12 -0.04 0.89 0.84 1vh4B1 ALA 178 H 0.04 0.61 0.14 -0.55 8.40 8.64 1vh4B1 ALA 178 HA 0.04 0.02 0.45 -0.75 4.34 4.10 1vh4B1 ALA 178 HB3 0.03 -0.02 0.06 -0.04 1.41 1.44 1vh4B1 GLU 179 H 0.03 0.04 0.16 -0.55 8.60 8.28 1vh4B1 GLU 179 HA 0.03 0.29 0.33 -0.75 4.29 4.19 1vh4B1 GLU 179 HB2 0.02 -0.08 0.18 -0.04 2.09 2.16 1vh4B1 GLU 179 HB3 0.02 -0.09 0.15 -0.04 1.99 2.03 1vh4B1 GLU 179 HG2 0.02 -0.00 -0.26 -0.04 2.34 2.05 1vh4B1 GLU 179 HG3 0.02 0.38 0.04 -0.04 2.34 2.75 1vh4B1 GLY 180 H 0.03 0.41 -0.01 -0.55 8.43 8.32 1vh4B1 GLY 180 HA2 0.04 0.33 0.27 -0.51 4.01 4.13 1vh4B1 GLY 180 HA3 0.02 -0.07 0.35 -0.51 4.01 3.80 1vh4B1 ALA 181 H 0.03 0.41 -0.52 -0.55 8.40 7.77 1vh4B1 ALA 181 HA 0.01 0.23 0.49 -0.75 4.34 4.32 1vh4B1 ALA 181 HB3 0.03 -0.02 -0.04 -0.04 1.41 1.33 1vh4B1 GLU 182 H 0.01 0.64 0.35 -0.55 8.60 9.05 1vh4B1 GLU 182 HA 0.10 0.22 0.99 -0.75 4.29 4.84 1vh4B1 GLU 182 HB2 -0.02 -0.04 0.16 -0.04 2.09 2.16 1vh4B1 GLU 182 HB3 -0.03 -0.03 0.07 -0.04 1.99 1.96 1vh4B1 GLU 182 HG2 0.08 0.02 -0.07 -0.04 2.34 2.32 1vh4B1 GLU 182 HG3 0.02 0.13 -0.33 -0.04 2.34 2.12 1vh4B1 ALA 183 H 0.12 0.59 0.37 -0.55 8.40 8.93 1vh4B1 ALA 183 HA 0.08 0.18 0.71 -0.75 4.34 4.56 1vh4B1 ALA 183 HB3 0.16 0.01 -0.07 -0.04 1.41 1.47 1vh4B1 THR 184 H 0.14 0.24 0.19 -0.55 8.28 8.30 1vh4B1 THR 184 HA 0.09 0.32 1.08 -0.75 4.39 5.12 1vh4B1 THR 184 HB 0.06 -0.05 0.15 -0.04 4.32 4.44 1vh4B1 THR 184 HG23 0.03 -0.01 -0.15 -0.04 1.22 1.05 1vh4B1 VAL 185 H 0.06 0.69 0.42 -0.55 8.24 8.86 1vh4B1 VAL 185 HA 0.02 0.26 1.07 -0.75 4.13 4.73 1vh4B1 VAL 185 HB 0.13 -0.02 -0.06 -0.04 2.12 2.13 1vh4B1 VAL 185 HG13 0.02 -0.00 0.03 -0.04 0.97 0.97 1vh4B1 VAL 185 HG23 0.25 -0.01 -0.12 -0.04 0.95 1.03 1vh4B1 ILE 186 H -0.01 0.74 0.38 -0.55 8.25 8.81 1vh4B1 ILE 186 HA -0.10 0.26 1.11 -0.75 4.18 4.70 1vh4B1 ILE 186 HB -0.04 -0.04 0.09 -0.04 1.89 1.85 1vh4B1 ILE 186 HG12 -0.05 0.01 -0.12 -0.04 1.49 1.29 1vh4B1 ILE 186 HG13 -0.03 -0.07 -0.47 -0.04 1.21 0.60 1vh4B1 ILE 186 HG23 -0.08 -0.01 -0.26 -0.04 0.93 0.53 1vh4B1 ILE 186 HD13 -0.05 -0.01 -0.17 -0.04 0.88 0.61 1vh4B1 GLU 187 H -0.05 0.77 0.42 -0.55 8.60 9.21 1vh4B1 GLU 187 HA 0.09 0.19 1.01 -0.75 4.29 4.82 1vh4B1 GLU 187 HB2 0.22 -0.12 0.18 -0.04 2.09 2.33 1vh4B1 GLU 187 HB3 0.18 0.02 -0.04 -0.04 1.99 2.11 1vh4B1 GLU 187 HG2 0.49 0.01 -0.09 -0.04 2.34 2.71 1vh4B1 GLU 187 HG3 0.27 0.04 -0.07 -0.04 2.34 2.54 1vh4B1 HIS 188 H -0.00 0.80 0.32 -0.55 8.41 8.99 1vh4B1 HIS 188 HA -0.14 0.24 0.99 -0.75 4.63 4.96 1vh4B1 HIS 188 HB2 -0.11 0.00 -0.14 -0.04 3.26 2.97 1vh4B1 HIS 188 HB3 -0.09 0.00 0.13 -0.04 3.20 3.20 1vh4B1 HIS 188 HD2 -0.03 0.00 -0.07 -0.04 6.97 6.83 1vh4B1 HIS 188 HE1 0.13 0.04 -0.06 -0.04 7.75 7.81 1vh4B1 PHE 189 H 0.09 0.68 0.35 -0.55 8.34 8.90 1vh4B1 PHE 189 HA -0.08 0.21 1.09 -0.75 4.62 5.09 1vh4B1 PHE 189 HB2 -0.04 -0.12 0.21 -0.04 3.15 3.16 1vh4B1 PHE 189 HB3 0.04 0.01 -0.04 -0.04 3.06 3.03 1vh4B1 PHE 189 HD2 -0.12 0.06 -0.18 -0.04 7.28 7.00 1vh4B1 PHE 189 HE2 -0.33 -0.01 -0.18 -0.04 7.38 6.82 1vh4B1 PHE 189 HZ -0.29 -0.04 -0.17 -0.04 7.32 6.78 1vh4B1 VAL 190 H -0.02 0.69 0.33 -0.55 8.24 8.70 1vh4B1 VAL 190 HA 0.10 0.26 0.63 -0.75 4.13 4.37 1vh4B1 VAL 190 HB 0.04 0.08 0.08 -0.04 2.12 2.28 1vh4B1 VAL 190 HG13 -0.25 0.05 -0.18 -0.04 0.97 0.54 1vh4B1 VAL 190 HG23 -0.06 -0.01 -0.13 -0.04 0.95 0.71 1vh4B1 SER 191 H 0.13 0.28 0.19 -0.55 8.46 8.52 1vh4B1 SER 191 HA 0.13 0.29 1.02 -0.75 4.49 5.18 1vh4B1 SER 191 HB2 0.17 0.07 0.16 -0.04 3.95 4.31 1vh4B1 SER 191 HB3 0.28 0.12 0.17 -0.04 3.93 4.46 1vh4B1 LEU 192 H 0.06 0.45 0.23 -0.55 8.37 8.56 1vh4B1 LEU 192 HA 0.05 0.11 0.37 -0.75 4.35 4.13 1vh4B1 LEU 192 HB2 0.03 -0.02 -0.13 -0.04 1.64 1.48 1vh4B1 LEU 192 HB3 0.05 -0.07 0.05 -0.04 1.64 1.62 1vh4B1 LEU 192 HG 0.04 0.01 -0.15 -0.04 1.64 1.50 1vh4B1 LEU 192 HD13 0.03 0.00 -0.04 -0.04 0.93 0.88 1vh4B1 LEU 192 HD23 0.03 -0.01 -0.10 -0.04 0.89 0.77 1vh4B1 ASN 193 H 0.10 0.10 0.00 -0.55 8.53 8.19 1vh4B1 ASN 193 HA 0.06 0.24 0.51 -0.75 4.76 4.82 1vh4B1 ASN 193 HB2 0.06 -0.18 0.21 -0.04 2.88 2.93 1vh4B1 ASN 193 HB3 0.05 0.17 -0.02 -0.04 2.79 2.94 1vh4B1 ASN 193 HD21 0.06 0.08 -0.05 -0.04 7.03 7.07 1vh4B1 ASN 193 HD22 0.05 0.07 -0.14 -0.04 7.74 7.68 1vh4B1 ASP 194 H 0.06 0.15 0.12 -0.55 8.40 8.18 1vh4B1 ASP 194 HA 0.07 0.14 0.56 -0.75 4.63 4.65 1vh4B1 ASP 194 HB2 0.04 -0.01 0.04 -0.04 2.71 2.75 1vh4B1 ASP 194 HB3 0.04 0.02 0.11 -0.04 2.70 2.83 1vh4B1 ALA 195 H 0.09 -0.04 -0.26 -0.55 8.40 7.64 1vh4B1 ALA 195 HA 0.07 0.09 0.45 -0.75 4.34 4.20 1vh4B1 ALA 195 HB3 0.09 0.01 -0.10 -0.04 1.41 1.36 1vh4B1 ARG 196 H 0.07 0.16 0.16 -0.55 8.46 8.30 1vh4B1 ARG 196 HA 0.01 -0.02 0.37 -0.75 4.34 3.94 1vh4B1 ARG 196 HB2 0.07 0.14 -0.13 -0.04 1.90 1.93 1vh4B1 ARG 196 HB3 0.05 -0.03 0.02 -0.04 1.80 1.81 1vh4B1 ARG 196 HG2 0.06 -0.02 0.08 -0.04 1.67 1.75 1vh4B1 ARG 196 HG3 0.08 -0.01 -0.13 -0.04 1.67 1.56 1vh4B1 ARG 196 HD2 0.12 0.05 -0.04 -0.04 3.22 3.30 1vh4B1 ARG 196 HD3 0.07 -0.02 0.02 -0.04 3.22 3.25 1vh4B1 HIS 197 H -0.26 0.12 0.21 -0.55 8.41 7.94 1vh4B1 HIS 197 HA 0.18 0.20 0.74 -0.75 4.63 5.01 1vh4B1 HIS 197 HB2 0.15 0.08 -0.08 -0.04 3.26 3.38 1vh4B1 HIS 197 HB3 0.13 0.02 -0.44 -0.04 3.20 2.87 1vh4B1 HIS 197 HD2 0.11 0.12 -0.18 -0.04 6.97 6.97 1vh4B1 HIS 197 HE1 0.16 -0.00 -0.15 -0.04 7.75 7.71 1vh4B1 PHE 198 H 0.42 0.76 0.28 -0.55 8.34 9.26 1vh4B1 PHE 198 HA 0.23 0.14 1.02 -0.75 4.62 5.26 1vh4B1 PHE 198 HB2 0.31 0.02 -0.02 -0.04 3.15 3.42 1vh4B1 PHE 198 HB3 0.31 0.04 0.13 -0.04 3.06 3.50 1vh4B1 PHE 198 HD2 0.15 -0.01 -0.05 -0.04 7.28 7.34 1vh4B1 PHE 198 HE2 -0.35 -0.02 -0.14 -0.04 7.38 6.83 1vh4B1 PHE 198 HZ -0.01 -0.04 -0.11 -0.04 7.32 7.12 1vh4B1 THR 199 H 0.10 0.71 0.29 -0.55 8.28 8.83 1vh4B1 THR 199 HA -0.25 0.22 1.01 -0.75 4.39 4.62 1vh4B1 THR 199 HB -0.03 -0.01 0.16 -0.04 4.32 4.40 1vh4B1 THR 199 HG23 0.00 -0.02 -0.22 -0.04 1.22 0.94 1vh4B1 GLY 200 H -0.73 0.72 0.49 -0.55 8.43 8.37 1vh4B1 GLY 200 HA2 -0.33 0.36 1.01 -0.51 4.01 4.55 1vh4B1 GLY 200 HA3 -0.37 -0.00 0.39 -0.51 4.01 3.52 1vh4B1 ALA 201 H -0.10 0.48 0.39 -0.55 8.40 8.63 1vh4B1 ALA 201 HA 0.08 0.25 0.88 -0.75 4.34 4.79 1vh4B1 ALA 201 HB3 0.04 -0.01 -0.13 -0.04 1.41 1.27 1vh4B1 ARG 202 H 0.06 0.46 0.18 -0.55 8.46 8.60 1vh4B1 ARG 202 HA 0.11 0.14 0.70 -0.75 4.34 4.54 1vh4B1 ARG 202 HB2 0.00 0.02 -0.02 -0.04 1.90 1.86 1vh4B1 ARG 202 HB3 -0.03 0.01 0.13 -0.04 1.80 1.87 1vh4B1 ARG 202 HG2 -0.01 -0.07 -0.09 -0.04 1.67 1.46 1vh4B1 ARG 202 HG3 0.04 0.14 0.03 -0.04 1.67 1.83 1vh4B1 ARG 202 HD2 -0.09 0.00 0.07 -0.04 3.22 3.16 1vh4B1 ARG 202 HD3 -0.13 0.00 -0.02 -0.04 3.22 3.03 1vh4B1 PHE 203 H 0.27 0.19 0.10 -0.55 8.34 8.35 1vh4B1 PHE 203 HA 0.12 0.29 1.02 -0.75 4.62 5.29 1vh4B1 PHE 203 HB2 0.23 -0.06 -0.05 -0.04 3.15 3.23 1vh4B1 PHE 203 HB3 0.10 -0.04 0.11 -0.04 3.06 3.20 1vh4B1 PHE 203 HD2 0.11 0.06 -0.34 -0.04 7.28 7.07 1vh4B1 PHE 203 HE2 -0.01 -0.01 -0.15 -0.04 7.38 7.17 1vh4B1 PHE 203 HZ 0.02 -0.01 -0.14 -0.04 7.32 7.15 1vh4B1 THR 204 H 0.24 0.66 0.41 -0.55 8.28 9.05 1vh4B1 THR 204 HA 0.16 0.15 1.18 -0.75 4.39 5.13 1vh4B1 THR 204 HB 0.23 0.02 0.09 -0.04 4.32 4.61 1vh4B1 THR 204 HG23 0.09 -0.02 -0.09 -0.04 1.22 1.16 1vh4B1 ILE 205 H 0.05 0.64 0.37 -0.55 8.25 8.77 1vh4B1 ILE 205 HA -0.14 0.24 1.04 -0.75 4.18 4.57 1vh4B1 ILE 205 HB -0.06 -0.04 0.14 -0.04 1.89 1.89 1vh4B1 ILE 205 HG12 0.22 0.01 -0.11 -0.04 1.49 1.56 1vh4B1 ILE 205 HG13 -0.01 -0.05 -0.56 -0.04 1.21 0.55 1vh4B1 ILE 205 HG23 0.00 -0.00 -0.20 -0.04 0.93 0.69 1vh4B1 ILE 205 HD13 -0.61 -0.01 -0.13 -0.04 0.88 0.09 1vh4B1 ASN 206 H -0.09 0.70 0.40 -0.55 8.53 8.99 1vh4B1 ASN 206 HA 0.05 0.19 1.08 -0.75 4.76 5.33 1vh4B1 ASN 206 HB2 0.19 -0.00 0.06 -0.04 2.88 3.08 1vh4B1 ASN 206 HB3 0.10 -0.09 0.21 -0.04 2.79 2.98 1vh4B1 ASN 206 HD21 0.08 -0.02 -0.05 -0.04 7.03 6.99 1vh4B1 ASN 206 HD22 0.13 -0.01 -0.02 -0.04 7.74 7.80 1vh4B1 VAL 207 H 0.03 0.87 0.37 -0.55 8.24 8.95 1vh4B1 VAL 207 HA 0.04 0.15 1.00 -0.75 4.13 4.57 1vh4B1 VAL 207 HB 0.01 -0.08 0.18 -0.04 2.12 2.20 1vh4B1 VAL 207 HG13 0.02 0.05 -0.14 -0.04 0.97 0.86 1vh4B1 VAL 207 HG23 0.01 0.00 -0.19 -0.04 0.95 0.73 1vh4B1 ALA 208 H 0.04 0.59 0.14 -0.55 8.40 8.63 1vh4B1 ALA 208 HA 0.03 0.01 0.53 -0.75 4.34 4.16 1vh4B1 ALA 208 HB3 0.04 -0.01 -0.01 -0.04 1.41 1.38 1vh4B1 ALA 209 H 0.03 0.02 0.16 -0.55 8.40 8.06 1vh4B1 ALA 209 HA 0.02 0.50 0.34 -0.75 4.34 4.45 1vh4B1 ALA 209 HB3 0.02 -0.04 0.13 -0.04 1.41 1.48 1vh4B1 ASN 210 H 0.03 0.42 0.09 -0.55 8.53 8.52 1vh4B1 ASN 210 HA 0.04 0.35 0.52 -0.75 4.76 4.92 1vh4B1 ASN 210 HB2 0.03 -0.01 0.01 -0.04 2.88 2.86 1vh4B1 ASN 210 HB3 0.03 0.02 0.24 -0.04 2.79 3.04 1vh4B1 ASN 210 HD21 0.02 -0.02 -0.07 -0.04 7.03 6.92 1vh4B1 ASN 210 HD22 0.02 -0.02 -0.23 -0.04 7.74 7.47 1vh4B1 ALA 211 H 0.04 0.37 -0.34 -0.55 8.40 7.93 1vh4B1 ALA 211 HA 0.07 0.26 0.64 -0.75 4.34 4.57 1vh4B1 ALA 211 HB3 0.05 -0.01 -0.01 -0.04 1.41 1.40 1vh4B1 HIS 212 H 0.14 0.66 0.35 -0.55 8.41 9.02 1vh4B1 HIS 212 HA 0.08 0.22 1.01 -0.75 4.63 5.18 1vh4B1 HIS 212 HB2 0.04 0.06 -0.10 -0.04 3.26 3.23 1vh4B1 HIS 212 HB3 0.04 -0.06 0.20 -0.04 3.20 3.33 1vh4B1 HIS 212 HD2 0.07 0.00 -0.05 -0.04 6.97 6.95 1vh4B1 HIS 212 HE1 -0.15 -0.03 -0.15 -0.04 7.75 7.38 1vh4B1 LEU 213 H -0.02 0.71 0.39 -0.55 8.37 8.91 1vh4B1 LEU 213 HA 0.14 0.26 1.15 -0.75 4.35 5.14 1vh4B1 LEU 213 HB2 0.05 -0.02 0.01 -0.04 1.64 1.64 1vh4B1 LEU 213 HB3 0.03 -0.03 0.24 -0.04 1.64 1.83 1vh4B1 LEU 213 HG 0.09 0.01 -0.46 -0.04 1.64 1.24 1vh4B1 LEU 213 HD13 0.06 0.01 -0.08 -0.04 0.93 0.89 1vh4B1 LEU 213 HD23 -0.03 -0.03 -0.11 -0.04 0.89 0.68 1vh4B1 GLN 214 H 0.14 0.61 0.39 -0.55 8.47 9.07 1vh4B1 GLN 214 HA 0.18 0.19 0.95 -0.75 4.36 4.93 1vh4B1 GLN 214 HB2 0.13 0.02 -0.02 -0.04 2.15 2.25 1vh4B1 GLN 214 HB3 0.09 -0.11 0.26 -0.04 2.02 2.22 1vh4B1 GLN 214 HG2 0.05 -0.06 -0.01 -0.04 2.40 2.34 1vh4B1 GLN 214 HG3 0.15 0.03 -0.10 -0.04 2.39 2.43 1vh4B1 GLN 214 HE21 0.08 -0.01 -0.01 -0.04 6.97 7.00 1vh4B1 GLN 214 HE22 0.24 0.01 -0.04 -0.04 7.69 7.86 1vh4B1 HIS 215 H 0.15 0.87 0.42 -0.55 8.41 9.31 1vh4B1 HIS 215 HA -0.02 0.28 1.16 -0.75 4.63 5.30 1vh4B1 HIS 215 HB2 -0.13 -0.02 0.01 -0.04 3.26 3.08 1vh4B1 HIS 215 HB3 -0.07 0.03 0.19 -0.04 3.20 3.30 1vh4B1 HIS 215 HD2 -0.43 -0.00 -0.09 -0.04 6.97 6.40 1vh4B1 HIS 215 HE1 -0.04 -0.03 -0.22 -0.04 7.75 7.42 1vh4B1 ILE 216 H -0.38 0.62 0.43 -0.55 8.25 8.38 1vh4B1 ILE 216 HA -0.10 0.31 1.02 -0.75 4.18 4.65 1vh4B1 ILE 216 HB -0.08 -0.06 0.13 -0.04 1.89 1.84 1vh4B1 ILE 216 HG12 0.15 0.06 -0.06 -0.04 1.49 1.59 1vh4B1 ILE 216 HG13 0.07 -0.05 -0.57 -0.04 1.21 0.62 1vh4B1 ILE 216 HG23 0.05 0.00 -0.18 -0.04 0.93 0.76 1vh4B1 ILE 216 HD13 0.00 -0.01 -0.12 -0.04 0.88 0.71 1vh4B1 LYS 217 H -0.07 0.71 0.38 -0.55 8.42 8.88 1vh4B1 LYS 217 HA -0.03 0.20 1.14 -0.75 4.32 4.89 1vh4B1 LYS 217 HB2 0.12 -0.01 -0.09 -0.04 1.87 1.84 1vh4B1 LYS 217 HB3 -0.04 -0.05 0.09 -0.04 1.79 1.75 1vh4B1 LYS 217 HG2 -0.02 -0.04 -0.37 -0.04 1.46 0.99 1vh4B1 LYS 217 HG3 0.23 0.03 -0.12 -0.04 1.46 1.56 1vh4B1 LYS 217 HD2 0.18 -0.01 -0.13 -0.04 1.69 1.69 1vh4B1 LYS 217 HD3 -0.40 -0.01 -0.13 -0.04 1.68 1.10 1vh4B1 LYS 217 HE2 -0.25 0.00 -0.15 -0.04 2.99 2.55 1vh4B1 LYS 217 HE3 -0.07 0.01 -0.19 -0.04 2.99 2.70 1vh4B1 LEU 218 H 0.01 0.87 0.25 -0.55 8.37 8.95 1vh4B1 LEU 218 HA -0.12 0.22 1.00 -0.75 4.35 4.70 1vh4B1 LEU 218 HB2 -0.32 -0.06 0.31 -0.04 1.64 1.52 1vh4B1 LEU 218 HB3 -1.58 0.05 0.09 -0.04 1.64 0.17 1vh4B1 LEU 218 HG -0.15 -0.00 -0.22 -0.04 1.64 1.23 1vh4B1 LEU 218 HD13 -0.33 -0.01 -0.09 -0.04 0.93 0.47 1vh4B1 LEU 218 HD23 -0.01 0.04 -0.16 -0.04 0.89 0.72 1vh4B1 ALA 219 H 0.04 0.57 0.12 -0.55 8.40 8.58 1vh4B1 ALA 219 HA 0.06 0.04 0.82 -0.75 4.34 4.50 1vh4B1 ALA 219 HB3 -0.30 -0.01 0.12 -0.04 1.41 1.17 1vh4B1 PHE 220 H 0.20 0.51 0.08 -0.55 8.34 8.59 1vh4B1 PHE 220 HA 0.06 0.33 0.65 -0.75 4.62 4.91 1vh4B1 PHE 220 HB2 0.17 0.09 0.14 -0.04 3.15 3.50 1vh4B1 PHE 220 HB3 0.11 0.01 0.20 -0.04 3.06 3.34 1vh4B1 PHE 220 HD2 0.16 0.09 -0.43 -0.04 7.28 7.06 1vh4B1 PHE 220 HE2 0.05 0.01 -0.08 -0.04 7.38 7.32 1vh4B1 PHE 220 HZ -0.04 -0.05 -0.01 -0.04 7.32 7.17 1vh4B1 GLU 221 H 0.15 0.03 -0.37 -0.55 8.60 7.86 1vh4B1 GLU 221 HA 0.19 0.00 0.44 -0.75 4.29 4.16 1vh4B1 GLU 221 HB2 0.14 0.04 -0.22 -0.04 2.09 2.01 1vh4B1 GLU 221 HB3 0.22 -0.07 -0.05 -0.04 1.99 2.05 1vh4B1 GLU 221 HG2 0.31 0.04 -0.48 -0.04 2.34 2.17 1vh4B1 GLU 221 HG3 0.24 0.01 -0.47 -0.04 2.34 2.08 1vh4B1 ASN 222 H 0.15 0.05 0.11 -0.55 8.53 8.30 1vh4B1 ASN 222 HA 0.06 0.22 0.38 -0.75 4.76 4.67 1vh4B1 ASN 222 HB2 0.06 0.04 0.15 -0.04 2.88 3.08 1vh4B1 ASN 222 HB3 0.10 0.11 0.13 -0.04 2.79 3.09 1vh4B1 ASN 222 HD21 0.12 0.23 -0.22 -0.04 7.03 7.12 1vh4B1 ASN 222 HD22 0.14 0.51 0.16 -0.04 7.74 8.51 1vh4B1 PRO 223 HA 0.01 0.17 0.25 -0.51 4.44 4.36 1vh4B1 PRO 223 HB2 0.01 0.01 -0.04 -0.04 2.28 2.23 1vh4B1 PRO 223 HB3 0.01 0.06 0.07 -0.04 2.02 2.11 1vh4B1 PRO 223 HG2 0.02 0.03 0.06 -0.04 2.03 2.09 1vh4B1 PRO 223 HG3 0.01 0.11 0.05 -0.04 2.03 2.16 1vh4B1 PRO 223 HD2 0.03 0.09 0.17 -0.04 3.68 3.94 1vh4B1 PRO 223 HD3 0.04 0.17 0.21 -0.04 3.65 4.02 1vh4B1 LEU 224 H 0.01 0.06 -0.34 -0.55 8.37 7.55 1vh4B1 LEU 224 HA 0.01 0.25 0.93 -0.75 4.35 4.79 1vh4B1 LEU 224 HB2 0.03 0.02 -0.03 -0.04 1.64 1.62 1vh4B1 LEU 224 HB3 0.04 0.01 0.10 -0.04 1.64 1.75 1vh4B1 LEU 224 HG 0.02 -0.07 -0.11 -0.04 1.64 1.45 1vh4B1 LEU 224 HD13 0.03 0.06 0.03 -0.04 0.93 1.01 1vh4B1 LEU 224 HD23 0.02 0.03 -0.05 -0.04 0.89 0.85 1vh4B1 SER 225 H -0.04 0.17 -0.11 -0.55 8.46 7.94 1vh4B1 SER 225 HA 0.04 0.22 0.67 -0.75 4.49 4.67 1vh4B1 SER 225 HB2 -0.18 -0.01 0.00 -0.04 3.95 3.72 1vh4B1 SER 225 HB3 -0.38 0.20 0.13 -0.04 3.93 3.84 1vh4B1 HIS 226 H 0.31 0.59 0.46 -0.55 8.41 9.24 1vh4B1 HIS 226 HA 0.26 0.35 1.07 -0.75 4.63 5.55 1vh4B1 HIS 226 HB2 0.54 -0.04 0.21 -0.04 3.26 3.93 1vh4B1 HIS 226 HB3 0.67 0.00 0.01 -0.04 3.20 3.84 1vh4B1 HIS 226 HD2 0.14 0.05 -0.14 -0.04 6.97 6.98 1vh4B1 HIS 226 HE1 0.17 -0.06 -0.11 -0.04 7.75 7.70 1vh4B1 HIS 227 H 0.22 0.63 0.35 -0.55 8.41 9.07 1vh4B1 HIS 227 HA 0.05 0.30 1.01 -0.75 4.63 5.23 1vh4B1 HIS 227 HB2 -0.03 -0.03 -0.14 -0.04 3.26 3.03 1vh4B1 HIS 227 HB3 -0.09 0.00 0.19 -0.04 3.20 3.26 1vh4B1 HIS 227 HD2 -0.16 -0.04 -0.36 -0.04 6.97 6.37 1vh4B1 HIS 227 HE1 -2.16 -0.03 -0.16 -0.04 7.75 5.35 1vh4B1 PHE 228 H -0.11 0.72 0.29 -0.55 8.34 8.69 1vh4B1 PHE 228 HA -0.05 0.30 1.08 -0.75 4.62 5.19 1vh4B1 PHE 228 HB2 -0.05 0.01 0.13 -0.04 3.15 3.20 1vh4B1 PHE 228 HB3 -0.19 -0.06 0.05 -0.04 3.06 2.81 1vh4B1 PHE 228 HD2 -0.23 -0.08 -0.25 -0.04 7.28 6.68 1vh4B1 PHE 228 HE2 0.30 0.01 -0.11 -0.04 7.38 7.54 1vh4B1 PHE 228 HZ 0.20 0.08 -0.14 -0.04 7.32 7.42 1vh4B1 ALA 229 H -0.03 0.67 0.41 -0.55 8.40 8.90 1vh4B1 ALA 229 HA 0.01 0.28 1.12 -0.75 4.34 4.98 1vh4B1 ALA 229 HB3 0.07 -0.03 -0.08 -0.04 1.41 1.34 1vh4B1 HIS 230 H 0.08 0.56 0.29 -0.55 8.41 8.80 1vh4B1 HIS 230 HA -0.21 0.20 0.90 -0.75 4.63 4.77 1vh4B1 HIS 230 HB2 -0.05 -0.04 -0.23 -0.04 3.26 2.91 1vh4B1 HIS 230 HB3 -0.06 -0.03 0.14 -0.04 3.20 3.20 1vh4B1 HIS 230 HD2 -0.10 0.17 -0.34 -0.04 6.97 6.65 1vh4B1 HIS 230 HE1 -0.21 0.08 -0.08 -0.04 7.75 7.49 1vh4B1 ASN 231 H -0.10 0.74 0.38 -0.55 8.53 9.00 1vh4B1 ASN 231 HA 0.13 0.14 1.04 -0.75 4.76 5.31 1vh4B1 ASN 231 HB2 0.04 -0.02 0.18 -0.04 2.88 3.04 1vh4B1 ASN 231 HB3 -0.03 0.14 0.11 -0.04 2.79 2.97 1vh4B1 ASN 231 HD21 0.29 -0.04 -0.09 -0.04 7.03 7.14 1vh4B1 ASN 231 HD22 -0.08 0.02 -0.06 -0.04 7.74 7.58 1vh4B1 ASP 232 H 0.09 0.40 0.36 -0.55 8.40 8.70 1vh4B1 ASP 232 HA 0.06 0.35 1.19 -0.75 4.63 5.48 1vh4B1 ASP 232 HB2 0.06 -0.05 0.14 -0.04 2.71 2.82 1vh4B1 ASP 232 HB3 0.04 0.04 -0.05 -0.04 2.70 2.70 1vh4B1 LEU 233 H 0.03 0.67 0.45 -0.55 8.37 8.97 1vh4B1 LEU 233 HA -0.01 0.23 0.99 -0.75 4.35 4.81 1vh4B1 LEU 233 HB2 -0.01 -0.06 0.15 -0.04 1.64 1.67 1vh4B1 LEU 233 HB3 -0.03 0.02 -0.01 -0.04 1.64 1.58 1vh4B1 LEU 233 HG -0.06 -0.02 -0.25 -0.04 1.64 1.26 1vh4B1 LEU 233 HD13 -0.07 -0.00 -0.13 -0.04 0.93 0.69 1vh4B1 LEU 233 HD23 -0.17 0.04 -0.10 -0.04 0.89 0.62 1vh4B1 LEU 234 H 0.02 0.75 0.35 -0.55 8.37 8.95 1vh4B1 LEU 234 HA 0.03 0.13 1.11 -0.75 4.35 4.87 1vh4B1 LEU 234 HB2 0.06 -0.03 0.25 -0.04 1.64 1.89 1vh4B1 LEU 234 HB3 0.05 0.01 0.06 -0.04 1.64 1.72 1vh4B1 LEU 234 HG 0.06 -0.10 -0.38 -0.04 1.64 1.18 1vh4B1 LEU 234 HD13 0.10 0.01 -0.12 -0.04 0.93 0.89 1vh4B1 LEU 234 HD23 0.05 0.01 -0.04 -0.04 0.89 0.87 1vh4B1 LEU 235 H 0.01 0.65 0.37 -0.55 8.37 8.85 1vh4B1 LEU 235 HA 0.01 0.23 1.11 -0.75 4.35 4.95 1vh4B1 LEU 235 HB2 -0.02 -0.00 0.21 -0.04 1.64 1.78 1vh4B1 LEU 235 HB3 -0.01 0.15 -0.03 -0.04 1.64 1.71 1vh4B1 LEU 235 HG -0.01 0.04 -0.11 -0.04 1.64 1.52 1vh4B1 LEU 235 HD13 -0.03 -0.04 -0.32 -0.04 0.93 0.50 1vh4B1 LEU 235 HD23 -0.06 -0.00 -0.21 -0.04 0.89 0.58 1vh4B1 ALA 236 H 0.02 0.63 0.20 -0.55 8.40 8.70 1vh4B1 ALA 236 HA 0.03 0.08 0.55 -0.75 4.34 4.24 1vh4B1 ALA 236 HB3 0.03 -0.03 0.09 -0.04 1.41 1.46 1vh4B1 GLU 237 H 0.02 0.05 0.10 -0.55 8.60 8.22 1vh4B1 GLU 237 HA 0.03 0.26 0.30 -0.75 4.29 4.13 1vh4B1 GLU 237 HB2 0.02 0.16 0.13 -0.04 2.09 2.36 1vh4B1 GLU 237 HB3 0.02 -0.11 0.15 -0.04 1.99 2.01 1vh4B1 GLU 237 HG2 0.01 0.04 -0.16 -0.04 2.34 2.19 1vh4B1 GLU 237 HG3 0.01 0.02 0.02 -0.04 2.34 2.35 1vh4B1 ASP 238 H 0.02 0.59 0.08 -0.55 8.40 8.55 1vh4B1 ASP 238 HA 0.02 0.37 0.42 -0.75 4.63 4.68 1vh4B1 ASP 238 HB2 0.02 -0.04 -0.17 -0.04 2.71 2.48 1vh4B1 ASP 238 HB3 0.02 0.02 0.25 -0.04 2.70 2.95 1vh4B1 ALA 239 H 0.01 0.10 -0.23 -0.55 8.40 7.74 1vh4B1 ALA 239 HA 0.02 0.25 0.87 -0.75 4.34 4.73 1vh4B1 ALA 239 HB3 0.01 0.00 -0.17 -0.04 1.41 1.21 1vh4B1 THR 240 H -0.02 0.63 0.34 -0.55 8.28 8.69 1vh4B1 THR 240 HA -0.08 0.27 1.06 -0.75 4.39 4.89 1vh4B1 THR 240 HB -0.30 -0.01 0.19 -0.04 4.32 4.16 1vh4B1 THR 240 HG23 -0.01 -0.01 -0.09 -0.04 1.22 1.07 1vh4B1 ALA 241 H -0.16 0.68 0.41 -0.55 8.40 8.78 1vh4B1 ALA 241 HA 0.00 0.21 1.02 -0.75 4.34 4.82 1vh4B1 ALA 241 HB3 -0.05 -0.02 -0.02 -0.04 1.41 1.28 1vh4B1 PHE 242 H 0.22 0.64 0.35 -0.55 8.34 8.99 1vh4B1 PHE 242 HA -0.13 0.20 1.00 -0.75 4.62 4.93 1vh4B1 PHE 242 HB2 0.04 -0.00 0.26 -0.04 3.15 3.41 1vh4B1 PHE 242 HB3 -0.12 0.02 0.02 -0.04 3.06 2.94 1vh4B1 PHE 242 HD2 -0.00 0.01 -0.11 -0.04 7.28 7.14 1vh4B1 PHE 242 HE2 -0.01 -0.01 -0.08 -0.04 7.38 7.24 1vh4B1 PHE 242 HZ 0.05 -0.01 -0.08 -0.04 7.32 7.24 1vh4B1 SER 243 H -0.21 0.67 0.36 -0.55 8.46 8.73 1vh4B1 SER 243 HA 0.07 0.27 1.07 -0.75 4.49 5.15 1vh4B1 SER 243 HB2 -0.01 -0.03 -0.07 -0.04 3.95 3.80 1vh4B1 SER 243 HB3 -0.04 -0.01 0.20 -0.04 3.93 4.05 1vh4B1 HIS 244 H 0.03 0.71 0.35 -0.55 8.41 8.97 1vh4B1 HIS 244 HA -0.09 0.18 0.97 -0.75 4.63 4.94 1vh4B1 HIS 244 HB2 0.13 -0.05 0.16 -0.04 3.26 3.46 1vh4B1 HIS 244 HB3 0.01 0.04 -0.05 -0.04 3.20 3.16 1vh4B1 HIS 244 HD2 0.09 0.03 -0.12 -0.04 6.97 6.92 1vh4B1 HIS 244 HE1 0.20 -0.00 -0.07 -0.04 7.75 7.83 1vh4B1 SER 245 H -0.20 0.53 0.24 -0.55 8.46 8.49 1vh4B1 SER 245 HA -0.06 0.17 1.12 -0.75 4.49 4.96 1vh4B1 SER 245 HB2 -0.12 0.05 0.21 -0.04 3.95 4.04 1vh4B1 SER 245 HB3 -0.21 -0.01 -0.03 -0.04 3.93 3.64 1vh4B1 PHE 246 H 0.15 0.84 0.32 -0.55 8.34 9.09 1vh4B1 PHE 246 HA 0.07 0.13 0.89 -0.75 4.62 4.95 1vh4B1 PHE 246 HB2 0.16 -0.00 0.25 -0.04 3.15 3.51 1vh4B1 PHE 246 HB3 0.23 0.04 0.06 -0.04 3.06 3.34 1vh4B1 PHE 246 HD2 0.05 0.06 -0.10 -0.04 7.28 7.24 1vh4B1 PHE 246 HE2 0.02 -0.01 -0.22 -0.04 7.38 7.12 1vh4B1 PHE 246 HZ -0.03 0.21 -0.27 -0.04 7.32 7.18 1vh4B1 LEU 247 H 0.05 0.66 0.13 -0.55 8.37 8.66 1vh4B1 LEU 247 HA 0.01 0.01 0.77 -0.75 4.35 4.40 1vh4B1 LEU 247 HB2 -0.00 0.07 0.31 -0.04 1.64 1.97 1vh4B1 LEU 247 HB3 -0.05 -0.00 0.12 -0.04 1.64 1.67 1vh4B1 LEU 247 HG -0.07 -0.01 -0.15 -0.04 1.64 1.37 1vh4B1 LEU 247 HD13 -0.02 0.00 -0.07 -0.04 0.93 0.80 1vh4B1 LEU 247 HD23 -0.21 -0.01 -0.14 -0.04 0.89 0.49 1vh4B1 LEU 248 H 0.24 0.50 0.10 -0.55 8.37 8.66 1vh4B1 LEU 248 HA 0.04 0.11 0.75 -0.75 4.35 4.49 1vh4B1 LEU 248 HB2 -0.02 0.01 0.03 -0.04 1.64 1.62 1vh4B1 LEU 248 HB3 -0.09 0.05 0.06 -0.04 1.64 1.62 1vh4B1 LEU 248 HG 0.23 -0.17 -0.64 -0.04 1.64 1.03 1vh4B1 LEU 248 HD13 0.04 -0.01 -0.18 -0.04 0.93 0.75 1vh4B1 LEU 248 HD23 0.06 0.04 -0.17 -0.04 0.89 0.78 1vh4B1 GLY 249 H 0.02 0.19 -0.09 -0.55 8.43 8.00 1vh4B1 GLY 249 HA2 0.03 0.11 0.39 -0.51 4.01 4.04 1vh4B1 GLY 249 HA3 0.09 -0.13 0.15 -0.51 4.01 3.61 1vh4B1 GLY 250 H 0.02 0.37 -0.25 -0.55 8.43 8.03 1vh4B1 GLY 250 HA2 -0.01 -0.07 0.24 -0.51 4.01 3.67 1vh4B1 GLY 250 HA3 -0.00 0.09 0.51 -0.51 4.01 4.10 1vh4B1 ALA 251 H -0.06 0.42 -0.04 -0.55 8.40 8.17 1vh4B1 ALA 251 HA -0.03 0.09 0.63 -0.75 4.34 4.28 1vh4B1 ALA 251 HB3 -0.08 -0.00 0.01 -0.04 1.41 1.29 1vh4B1 VAL 252 H -0.20 0.38 0.11 -0.55 8.24 7.98 1vh4B1 VAL 252 HA -0.05 0.33 0.94 -0.75 4.13 4.59 1vh4B1 VAL 252 HB -0.36 -0.11 0.14 -0.04 2.12 1.75 1vh4B1 VAL 252 HG13 0.18 0.02 -0.09 -0.04 0.97 1.05 1vh4B1 VAL 252 HG23 0.00 -0.01 -0.11 -0.04 0.95 0.79 1vh4B1 LEU 253 H -0.09 0.63 0.34 -0.55 8.37 8.70 1vh4B1 LEU 253 HA -0.19 0.21 1.03 -0.75 4.35 4.65 1vh4B1 LEU 253 HB2 -0.07 0.12 0.01 -0.04 1.64 1.65 1vh4B1 LEU 253 HB3 -0.09 -0.03 0.15 -0.04 1.64 1.63 1vh4B1 LEU 253 HG -0.08 0.06 0.02 -0.04 1.64 1.61 1vh4B1 LEU 253 HD13 -0.28 -0.02 -0.00 -0.04 0.93 0.58 1vh4B1 LEU 253 HD23 -0.08 -0.02 -0.26 -0.04 0.89 0.49 1vh4B1 ARG 254 H -0.51 0.73 0.34 -0.55 8.46 8.46 1vh4B1 ARG 254 HA -0.25 0.32 1.01 -0.75 4.34 4.67 1vh4B1 ARG 254 HB2 -0.53 0.03 -0.08 -0.04 1.90 1.28 1vh4B1 ARG 254 HB3 -1.01 -0.07 0.19 -0.04 1.80 0.87 1vh4B1 ARG 254 HG2 -0.25 -0.05 -0.19 -0.04 1.67 1.14 1vh4B1 ARG 254 HG3 -0.30 0.06 -0.05 -0.04 1.67 1.34 1vh4B1 ARG 254 HD2 -0.44 0.03 -0.07 -0.04 3.22 2.70 1vh4B1 ARG 254 HD3 -0.00 -0.05 -0.06 -0.04 3.22 3.07 1vh4B1 HIS 255 H -0.06 0.69 0.35 -0.55 8.41 8.84 1vh4B1 HIS 255 HA -0.08 0.17 1.03 -0.75 4.63 4.99 1vh4B1 HIS 255 HB2 -0.07 -0.02 -0.01 -0.04 3.26 3.12 1vh4B1 HIS 255 HB3 -0.07 0.01 0.15 -0.04 3.20 3.25 1vh4B1 HIS 255 HD2 -0.02 -0.02 -0.29 -0.04 6.97 6.59 1vh4B1 HIS 255 HE1 0.06 -0.06 -0.12 -0.04 7.75 7.58 1vh4B1 ASN 256 H -0.66 0.54 0.30 -0.55 8.53 8.17 1vh4B1 ASN 256 HA -0.36 0.29 1.00 -0.75 4.76 4.94 1vh4B1 ASN 256 HB2 -1.20 -0.10 0.17 -0.04 2.88 1.71 1vh4B1 ASN 256 HB3 -0.82 -0.01 -0.11 -0.04 2.79 1.81 1vh4B1 ASN 256 HD21 -0.11 -0.05 -0.15 -0.04 7.03 6.68 1vh4B1 ASN 256 HD22 -0.25 0.31 0.04 -0.04 7.74 7.80 1vh4B1 THR 257 H -0.16 0.62 0.31 -0.55 8.28 8.51 1vh4B1 THR 257 HA -0.08 0.20 0.94 -0.75 4.39 4.70 1vh4B1 THR 257 HB 0.07 -0.01 0.17 -0.04 4.32 4.51 1vh4B1 THR 257 HG23 0.01 -0.01 -0.20 -0.04 1.22 0.98 1vh4B1 SER 258 H 0.06 0.76 0.35 -0.55 8.46 9.08 1vh4B1 SER 258 HA 0.19 0.23 1.09 -0.75 4.49 5.25 1vh4B1 SER 258 HB2 0.10 -0.04 0.15 -0.04 3.95 4.12 1vh4B1 SER 258 HB3 -0.01 -0.01 0.02 -0.04 3.93 3.88 1vh4B1 THR 259 H 0.25 0.65 0.39 -0.55 8.28 9.02 1vh4B1 THR 259 HA 0.06 0.28 1.09 -0.75 4.39 5.06 1vh4B1 THR 259 HB 0.04 -0.03 0.11 -0.04 4.32 4.40 1vh4B1 THR 259 HG23 -0.02 -0.01 -0.21 -0.04 1.22 0.94 1vh4B1 GLN 260 H 0.04 0.64 0.43 -0.55 8.47 9.03 1vh4B1 GLN 260 HA 0.06 0.17 1.16 -0.75 4.36 5.00 1vh4B1 GLN 260 HB2 0.06 -0.03 0.20 -0.04 2.15 2.34 1vh4B1 GLN 260 HB3 0.06 0.02 -0.01 -0.04 2.02 2.04 1vh4B1 GLN 260 HG2 0.15 0.03 -0.01 -0.04 2.40 2.52 1vh4B1 GLN 260 HG3 0.11 -0.07 -0.20 -0.04 2.39 2.19 1vh4B1 GLN 260 HE21 0.08 0.02 -0.04 -0.04 6.97 6.99 1vh4B1 GLN 260 HE22 0.15 0.01 -0.04 -0.04 7.69 7.77 1vh4B1 LEU 261 H -0.04 0.74 0.31 -0.55 8.37 8.83 1vh4B1 LEU 261 HA -0.04 0.15 0.89 -0.75 4.35 4.60 1vh4B1 LEU 261 HB2 -0.16 -0.11 0.41 -0.04 1.64 1.74 1vh4B1 LEU 261 HB3 -0.09 0.10 0.12 -0.04 1.64 1.73 1vh4B1 LEU 261 HG -0.23 -0.02 -0.11 -0.04 1.64 1.24 1vh4B1 LEU 261 HD13 -0.70 -0.01 -0.10 -0.04 0.93 0.08 1vh4B1 LEU 261 HD23 -0.11 0.02 -0.12 -0.04 0.89 0.64 1vh4B1 ASN 262 H 0.01 0.72 0.16 -0.55 8.53 8.88 1vh4B1 ASN 262 HA 0.04 0.08 0.71 -0.75 4.76 4.84 1vh4B1 ASN 262 HB2 0.03 0.16 0.06 -0.04 2.88 3.10 1vh4B1 ASN 262 HB3 0.04 -0.04 0.14 -0.04 2.79 2.88 1vh4B1 ASN 262 HD21 0.05 -0.02 -0.04 -0.04 7.03 6.98 1vh4B1 ASN 262 HD22 0.04 0.02 -0.05 -0.04 7.74 7.71 1vh4B1 GLY 263 H 0.03 0.27 -0.27 -0.55 8.43 7.91 1vh4B1 GLY 263 HA2 0.04 0.11 0.70 -0.51 4.01 4.35 1vh4B1 GLY 263 HA3 0.03 -0.09 -0.14 -0.51 4.01 3.30 1vh4B1 GLU 264 H 0.05 0.06 0.09 -0.55 8.60 8.26 1vh4B1 GLU 264 HA 0.13 0.39 0.42 -0.75 4.29 4.48 1vh4B1 GLU 264 HB2 0.02 -0.06 0.08 -0.04 2.09 2.09 1vh4B1 GLU 264 HB3 0.11 0.04 0.05 -0.04 1.99 2.15 1vh4B1 GLU 264 HG2 0.28 0.05 -0.06 -0.04 2.34 2.57 1vh4B1 GLU 264 HG3 0.11 -0.08 0.02 -0.04 2.34 2.36 1vh4B1 ASN 265 H 0.17 0.31 0.12 -0.55 8.53 8.59 1vh4B1 ASN 265 HA 0.10 0.39 0.51 -0.75 4.76 5.01 1vh4B1 ASN 265 HB2 -0.01 -0.08 -0.13 -0.04 2.88 2.63 1vh4B1 ASN 265 HB3 0.01 -0.02 0.04 -0.04 2.79 2.79 1vh4B1 ASN 265 HD21 0.01 0.01 0.08 -0.04 7.03 7.09 1vh4B1 ASN 265 HD22 0.01 -0.05 0.11 -0.04 7.74 7.76 1vh4B1 SER 266 H 0.06 0.10 -0.03 -0.55 8.46 8.05 1vh4B1 SER 266 HA 0.01 0.27 1.06 -0.75 4.49 5.08 1vh4B1 SER 266 HB2 -0.00 -0.04 -0.01 -0.04 3.95 3.86 1vh4B1 SER 266 HB3 -0.02 0.05 0.03 -0.04 3.93 3.95 1vh4B1 THR 267 H -0.03 0.70 0.46 -0.55 8.28 8.85 1vh4B1 THR 267 HA -0.04 0.24 1.12 -0.75 4.39 4.95 1vh4B1 THR 267 HB -0.03 -0.02 0.18 -0.04 4.32 4.41 1vh4B1 THR 267 HG23 -0.11 -0.00 -0.13 -0.04 1.22 0.93 1vh4B1 LEU 268 H -0.12 0.70 0.48 -0.55 8.37 8.88 1vh4B1 LEU 268 HA -0.26 0.35 1.18 -0.75 4.35 4.87 1vh4B1 LEU 268 HB2 -0.12 -0.03 -0.16 -0.04 1.64 1.29 1vh4B1 LEU 268 HB3 -0.11 -0.03 0.13 -0.04 1.64 1.58 1vh4B1 LEU 268 HG -0.12 0.01 -0.35 -0.04 1.64 1.13 1vh4B1 LEU 268 HD13 -0.10 0.03 -0.06 -0.04 0.93 0.76 1vh4B1 LEU 268 HD23 -0.08 -0.03 -0.13 -0.04 0.89 0.61 1vh4B1 ARG 269 H -0.42 0.62 0.46 -0.55 8.46 8.57 1vh4B1 ARG 269 HA -0.20 0.35 1.04 -0.75 4.34 4.78 1vh4B1 ARG 269 HB2 -0.40 0.01 0.07 -0.04 1.90 1.54 1vh4B1 ARG 269 HB3 -0.71 -0.05 0.22 -0.04 1.80 1.22 1vh4B1 ARG 269 HG2 -0.10 -0.06 -0.22 -0.04 1.67 1.25 1vh4B1 ARG 269 HG3 -0.10 0.09 0.00 -0.04 1.67 1.62 1vh4B1 ARG 269 HD2 0.29 -0.01 -0.03 -0.04 3.22 3.43 1vh4B1 ARG 269 HD3 0.17 0.00 -0.07 -0.04 3.22 3.28 1vh4B1 ILE 270 H -0.11 0.53 0.36 -0.55 8.25 8.49 1vh4B1 ILE 270 HA -0.12 0.24 1.10 -0.75 4.18 4.64 1vh4B1 ILE 270 HB 0.05 -0.05 0.15 -0.04 1.89 2.00 1vh4B1 ILE 270 HG12 -0.04 0.04 -0.04 -0.04 1.49 1.40 1vh4B1 ILE 270 HG13 -0.06 -0.08 -0.39 -0.04 1.21 0.63 1vh4B1 ILE 270 HG23 0.09 -0.00 -0.08 -0.04 0.93 0.90 1vh4B1 ILE 270 HD13 0.03 -0.01 -0.11 -0.04 0.88 0.74 1vh4B1 ASN 271 H -0.15 0.77 0.43 -0.55 8.53 9.03 1vh4B1 ASN 271 HA -0.47 0.20 1.09 -0.75 4.76 4.83 1vh4B1 ASN 271 HB2 0.05 -0.01 0.17 -0.04 2.88 3.05 1vh4B1 ASN 271 HB3 -0.12 0.05 0.14 -0.04 2.79 2.82 1vh4B1 ASN 271 HD21 0.06 -0.01 -0.06 -0.04 7.03 6.98 1vh4B1 ASN 271 HD22 0.14 0.04 -0.00 -0.04 7.74 7.88 1vh4B1 SER 272 H -0.26 0.56 0.51 -0.55 8.46 8.74 1vh4B1 SER 272 HA -0.21 0.21 0.85 -0.75 4.49 4.58 1vh4B1 SER 272 HB2 0.01 0.02 0.10 -0.04 3.95 4.03 1vh4B1 SER 272 HB3 0.14 0.02 -0.17 -0.04 3.93 3.88 1vh4B1 LEU 273 H -0.21 0.55 0.41 -0.55 8.37 8.57 1vh4B1 LEU 273 HA -0.03 0.33 1.02 -0.75 4.35 4.92 1vh4B1 LEU 273 HB2 -0.08 -0.03 0.02 -0.04 1.64 1.51 1vh4B1 LEU 273 HB3 -0.00 -0.08 0.20 -0.04 1.64 1.71 1vh4B1 LEU 273 HG 0.09 0.04 -0.29 -0.04 1.64 1.43 1vh4B1 LEU 273 HD13 0.07 0.05 -0.02 -0.04 0.93 0.98 1vh4B1 LEU 273 HD23 0.25 -0.01 -0.09 -0.04 0.89 0.99 1vh4B1 ALA 274 H 0.04 0.57 0.40 -0.55 8.40 8.86 1vh4B1 ALA 274 HA 0.03 0.29 0.97 -0.75 4.34 4.87 1vh4B1 ALA 274 HB3 0.02 -0.02 0.05 -0.04 1.41 1.43 1vh4B1 MET 275 H 0.02 0.27 0.08 -0.55 8.47 8.30 1vh4B1 MET 275 HA 0.01 0.37 0.96 -0.75 4.52 5.11 1vh4B1 MET 275 HB2 0.02 -0.01 0.07 -0.04 2.15 2.18 1vh4B1 MET 275 HB3 -0.00 0.04 0.16 -0.04 2.03 2.18 1vh4B1 MET 275 HG2 0.04 0.01 0.00 -0.04 2.63 2.63 1vh4B1 MET 275 HG3 0.06 -0.11 -0.52 -0.04 2.56 1.95 1vh4B1 MET 275 HE3 -0.05 0.00 -0.09 -0.04 2.10 1.92 1vh4B1 PRO 276 HA -0.01 0.04 0.44 -0.51 4.44 4.40 1vh4B1 PRO 276 HB2 -0.00 0.04 -0.09 -0.04 2.28 2.19 1vh4B1 PRO 276 HB3 -0.01 0.01 -0.11 -0.04 2.02 1.88 1vh4B1 PRO 276 HG2 -0.00 -0.04 -0.11 -0.04 2.03 1.83 1vh4B1 PRO 276 HG3 -0.00 0.11 -0.27 -0.04 2.03 1.82 1vh4B1 PRO 276 HD2 0.01 0.19 -0.10 -0.04 3.68 3.73 1vh4B1 PRO 276 HD3 0.01 0.00 -0.04 -0.04 3.65 3.58 1vh4B1 VAL 277 H -0.01 0.16 0.22 -0.55 8.24 8.06 1vh4B1 VAL 277 HA -0.01 0.17 0.72 -0.75 4.13 4.25 1vh4B1 VAL 277 HB -0.01 -0.19 0.15 -0.04 2.12 2.03 1vh4B1 VAL 277 HG13 -0.02 0.07 -0.07 -0.04 0.97 0.91 1vh4B1 VAL 277 HG23 -0.01 0.01 -0.08 -0.04 0.95 0.83 1vh4B1 LYS 278 H -0.01 0.09 0.09 -0.55 8.42 8.03 1vh4B1 LYS 278 HA -0.00 -0.02 0.38 -0.75 4.32 3.93 1vh4B1 LYS 278 HB2 0.00 0.15 0.05 -0.04 1.87 2.03 1vh4B1 LYS 278 HB3 0.00 0.01 0.20 -0.04 1.79 1.95 1vh4B1 LYS 278 HG2 0.00 -0.01 0.06 -0.04 1.46 1.47 1vh4B1 LYS 278 HG3 -0.00 -0.04 -0.03 -0.04 1.46 1.34 1vh4B1 LYS 278 HD2 0.00 0.07 -0.03 -0.04 1.69 1.68 1vh4B1 LYS 278 HD3 0.00 -0.01 0.01 -0.04 1.68 1.64 1vh4B1 LYS 278 HE2 -0.00 -0.02 0.00 -0.04 2.99 2.93 1vh4B1 LYS 278 HE3 -0.00 0.03 -0.03 -0.04 2.99 2.95 1vh4B1 ASN 279 H 0.01 0.12 0.23 -0.55 8.53 8.34 1vh4B1 ASN 279 HA 0.01 0.30 0.68 -0.75 4.76 5.00 1vh4B1 ASN 279 HB2 0.02 -0.03 0.12 -0.04 2.88 2.95 1vh4B1 ASN 279 HB3 0.02 0.03 0.22 -0.04 2.79 3.02 1vh4B1 ASN 279 HD21 0.01 -0.02 -0.04 -0.04 7.03 6.94 1vh4B1 ASN 279 HD22 0.01 -0.00 0.00 -0.04 7.74 7.71 1vh4B1 GLU 280 H 0.00 0.50 0.03 -0.55 8.60 8.58 1vh4B1 GLU 280 HA -0.00 0.23 0.54 -0.75 4.29 4.30 1vh4B1 GLU 280 HB2 -0.01 -0.16 0.19 -0.04 2.09 2.08 1vh4B1 GLU 280 HB3 -0.01 0.07 0.04 -0.04 1.99 2.04 1vh4B1 GLU 280 HG2 -0.01 0.11 0.19 -0.04 2.34 2.59 1vh4B1 GLU 280 HG3 -0.00 -0.17 0.17 -0.04 2.34 2.30 1vh4B1 VAL 281 H -0.01 0.63 0.41 -0.55 8.24 8.72 1vh4B1 VAL 281 HA 0.01 0.32 1.09 -0.75 4.13 4.80 1vh4B1 VAL 281 HB 0.03 -0.10 0.27 -0.04 2.12 2.28 1vh4B1 VAL 281 HG13 0.04 -0.01 -0.09 -0.04 0.97 0.87 1vh4B1 VAL 281 HG23 0.06 0.02 -0.01 -0.04 0.95 0.97 1vh4B1 CYS 282 H -0.01 0.62 0.34 -0.55 8.50 8.91 1vh4B1 CYS 282 HA -0.05 0.13 0.97 -0.75 4.58 4.88 1vh4B1 CYS 282 HB2 -0.02 0.02 -0.04 -0.04 2.97 2.89 1vh4B1 CYS 282 HB3 -0.01 -0.05 0.21 -0.04 2.97 3.08 1vh4B1 ASP 283 H -0.09 0.71 0.30 -0.55 8.40 8.78 1vh4B1 ASP 283 HA -0.05 0.21 0.98 -0.75 4.63 5.01 1vh4B1 ASP 283 HB2 -0.08 0.00 -0.03 -0.04 2.71 2.56 1vh4B1 ASP 283 HB3 -0.18 -0.01 0.41 -0.04 2.70 2.88 1vh4B1 THR 284 H -0.01 0.70 0.35 -0.55 8.28 8.77 1vh4B1 THR 284 HA 0.00 0.17 1.02 -0.75 4.39 4.83 1vh4B1 THR 284 HB 0.04 -0.02 -0.05 -0.04 4.32 4.25 1vh4B1 THR 284 HG23 0.15 0.01 0.06 -0.04 1.22 1.39 1vh4B1 ARG 285 H -0.08 0.66 0.39 -0.55 8.46 8.88 1vh4B1 ARG 285 HA -0.37 0.27 1.14 -0.75 4.34 4.63 1vh4B1 ARG 285 HB2 -0.23 -0.07 0.03 -0.04 1.90 1.60 1vh4B1 ARG 285 HB3 -0.22 0.01 0.03 -0.04 1.80 1.58 1vh4B1 ARG 285 HG2 -0.26 0.02 -0.30 -0.04 1.67 1.09 1vh4B1 ARG 285 HG3 -0.20 -0.04 -0.57 -0.04 1.67 0.82 1vh4B1 ARG 285 HD2 -0.31 -0.01 -0.19 -0.04 3.22 2.67 1vh4B1 ARG 285 HD3 -0.27 -0.04 -0.19 -0.04 3.22 2.68 1vh4B1 THR 286 H -0.24 0.66 0.49 -0.55 8.28 8.64 1vh4B1 THR 286 HA -0.00 0.25 0.98 -0.75 4.39 4.86 1vh4B1 THR 286 HB 0.09 0.04 0.07 -0.04 4.32 4.49 1vh4B1 THR 286 HG23 0.13 -0.01 -0.18 -0.04 1.22 1.12 1vh4B1 TRP 287 H 0.19 0.64 0.38 -0.55 7.97 8.64 1vh4B1 TRP 287 HA -0.03 0.14 0.86 -0.75 4.62 4.84 1vh4B1 TRP 287 HB2 -0.04 0.04 -0.05 -0.04 3.23 3.15 1vh4B1 TRP 287 HB3 -0.01 -0.07 0.16 -0.04 3.23 3.27 1vh4B1 TRP 287 HD1 0.02 -0.08 -0.30 -0.04 7.22 6.82 1vh4B1 TRP 287 HE1 0.03 0.02 -0.17 -0.04 10.20 10.04 1vh4B1 TRP 287 HE3 -0.01 0.02 -0.06 -0.04 7.59 7.50 1vh4B1 TRP 287 HZ2 0.04 0.02 -0.06 -0.04 7.44 7.40 1vh4B1 TRP 287 HZ3 0.03 -0.00 -0.07 -0.04 7.13 7.05 1vh4B1 TRP 287 HH2 0.04 0.00 -0.05 -0.04 7.19 7.14 1vh4B1 LEU 288 H -0.20 0.66 0.32 -0.55 8.37 8.61 1vh4B1 LEU 288 HA 0.09 0.24 0.98 -0.75 4.35 4.91 1vh4B1 LEU 288 HB2 0.03 0.02 -0.05 -0.04 1.64 1.60 1vh4B1 LEU 288 HB3 -0.00 0.02 0.16 -0.04 1.64 1.78 1vh4B1 LEU 288 HG -0.00 -0.06 -0.42 -0.04 1.64 1.12 1vh4B1 LEU 288 HD13 -0.11 0.01 -0.11 -0.04 0.93 0.67 1vh4B1 LEU 288 HD23 0.05 -0.00 -0.12 -0.04 0.89 0.78 1vh4B1 GLU 289 H 0.05 0.61 0.28 -0.55 8.60 8.99 1vh4B1 GLU 289 HA -0.04 0.26 1.07 -0.75 4.29 4.82 1vh4B1 GLU 289 HB2 0.12 -0.01 0.30 -0.04 2.09 2.45 1vh4B1 GLU 289 HB3 0.08 -0.00 0.03 -0.04 1.99 2.06 1vh4B1 GLU 289 HG2 0.03 0.01 -0.05 -0.04 2.34 2.29 1vh4B1 GLU 289 HG3 0.18 -0.05 -0.25 -0.04 2.34 2.18 1vh4B1 HIS 290 H 0.11 0.71 0.28 -0.55 8.41 8.97 1vh4B1 HIS 290 HA -0.00 0.10 0.88 -0.75 4.63 4.85 1vh4B1 HIS 290 HB2 -0.05 -0.03 0.33 -0.04 3.26 3.47 1vh4B1 HIS 290 HB3 -0.03 0.09 0.14 -0.04 3.20 3.35 1vh4B1 HIS 290 HD2 -0.06 0.00 -0.14 -0.04 6.97 6.73 1vh4B1 HIS 290 HE1 -0.03 0.06 -0.35 -0.04 7.75 7.39 1vh4B1 ASN 291 H 0.03 0.47 0.09 -0.55 8.53 8.57 1vh4B1 ASN 291 HA 0.07 0.01 0.61 -0.75 4.76 4.70 1vh4B1 ASN 291 HB2 0.05 0.17 0.05 -0.04 2.88 3.11 1vh4B1 ASN 291 HB3 0.06 -0.02 0.03 -0.04 2.79 2.82 1vh4B1 ASN 291 HD21 0.10 -0.01 -0.03 -0.04 7.03 7.05 1vh4B1 ASN 291 HD22 0.07 0.01 -0.09 -0.04 7.74 7.68 1vh4B1 LYS 292 H 0.07 0.27 0.02 -0.55 8.42 8.22 1vh4B1 LYS 292 HA 0.09 0.16 0.72 -0.75 4.32 4.54 1vh4B1 LYS 292 HB2 0.08 0.06 -0.46 -0.04 1.87 1.50 1vh4B1 LYS 292 HB3 0.11 -0.06 -0.17 -0.04 1.79 1.64 1vh4B1 LYS 292 HG2 0.06 -0.04 -0.49 -0.04 1.46 0.95 1vh4B1 LYS 292 HG3 0.06 0.04 -0.47 -0.04 1.46 1.05 1vh4B1 LYS 292 HD2 0.08 -0.08 -0.03 -0.04 1.69 1.62 1vh4B1 LYS 292 HD3 0.08 0.15 0.01 -0.04 1.68 1.88 1vh4B1 LYS 292 HE2 0.06 0.01 -0.09 -0.04 2.99 2.93 1vh4B1 LYS 292 HE3 0.05 0.05 -0.03 -0.04 2.99 3.02 1vh4B1 GLY 293 H 0.14 0.10 0.04 -0.55 8.43 8.17 1vh4B1 GLY 293 HA2 -0.01 0.13 0.33 -0.51 4.01 3.95 1vh4B1 GLY 293 HA3 -0.09 0.13 0.27 -0.51 4.01 3.81 1vh4B1 PHE 294 H -0.38 0.59 0.06 -0.55 8.34 8.06 1vh4B1 PHE 294 HA 0.02 0.20 0.35 -0.75 4.62 4.44 1vh4B1 PHE 294 HB2 0.02 -0.09 0.07 -0.04 3.15 3.12 1vh4B1 PHE 294 HB3 0.02 0.01 0.26 -0.04 3.06 3.31 1vh4B1 PHE 294 HD2 0.02 -0.01 -0.13 -0.04 7.28 7.11 1vh4B1 PHE 294 HE2 0.01 -0.01 -0.01 -0.04 7.38 7.33 1vh4B1 PHE 294 HZ 0.01 -0.02 -0.02 -0.04 7.32 7.25 1vh4B1 CYS 295 H 0.11 0.08 -0.25 -0.55 8.50 7.89 1vh4B1 CYS 295 HA 0.10 0.27 1.17 -0.75 4.58 5.36 1vh4B1 CYS 295 HB2 0.22 -0.07 -0.01 -0.04 2.97 3.07 1vh4B1 CYS 295 HB3 0.04 0.07 -0.03 -0.04 2.97 3.01 1vh4B1 ASN 296 H 0.05 0.60 0.42 -0.55 8.53 9.05 1vh4B1 ASN 296 HA 0.06 0.31 1.06 -0.75 4.76 5.43 1vh4B1 ASN 296 HB2 0.03 -0.01 0.04 -0.04 2.88 2.90 1vh4B1 ASN 296 HB3 0.01 -0.05 0.23 -0.04 2.79 2.93 1vh4B1 ASN 296 HD21 0.00 -0.04 -0.02 -0.04 7.03 6.93 1vh4B1 ASN 296 HD22 0.01 -0.03 0.01 -0.04 7.74 7.70 1vh4B1 SER 297 H 0.08 0.64 0.52 -0.55 8.46 9.15 1vh4B1 SER 297 HA -0.04 0.34 1.20 -0.75 4.49 5.25 1vh4B1 SER 297 HB2 0.03 0.02 0.03 -0.04 3.95 3.98 1vh4B1 SER 297 HB3 0.04 -0.03 -0.07 -0.04 3.93 3.82 1vh4B1 ARG 298 H -0.07 0.60 0.42 -0.55 8.46 8.85 1vh4B1 ARG 298 HA -0.02 0.17 0.98 -0.75 4.34 4.72 1vh4B1 ARG 298 HB2 -0.07 -0.00 0.15 -0.04 1.90 1.93 1vh4B1 ARG 298 HB3 -0.04 -0.01 0.02 -0.04 1.80 1.73 1vh4B1 ARG 298 HG2 -0.03 -0.02 -0.44 -0.04 1.67 1.14 1vh4B1 ARG 298 HG3 -0.02 -0.02 -0.08 -0.04 1.67 1.51 1vh4B1 ARG 298 HD2 -0.02 -0.04 -0.01 -0.04 3.22 3.11 1vh4B1 ARG 298 HD3 -0.02 0.07 0.16 -0.04 3.22 3.39 1vh4B1 GLN 299 H -0.02 0.40 0.27 -0.55 8.47 8.58 1vh4B1 GLN 299 HA -0.12 0.28 1.08 -0.75 4.36 4.85 1vh4B1 GLN 299 HB2 0.10 -0.10 0.25 -0.04 2.15 2.35 1vh4B1 GLN 299 HB3 0.11 0.05 0.07 -0.04 2.02 2.21 1vh4B1 GLN 299 HG2 0.05 0.03 0.10 -0.04 2.40 2.53 1vh4B1 GLN 299 HG3 0.05 -0.05 -0.29 -0.04 2.39 2.05 1vh4B1 GLN 299 HE21 0.27 -0.06 -0.10 -0.04 6.97 7.04 1vh4B1 GLN 299 HE22 0.79 0.10 -0.07 -0.04 7.69 8.47 1vh4B1 LEU 300 H -0.34 0.39 0.26 -0.55 8.37 8.14 1vh4B1 LEU 300 HA -0.18 0.23 1.00 -0.75 4.35 4.66 1vh4B1 LEU 300 HB2 -0.11 -0.00 -0.10 -0.04 1.64 1.39 1vh4B1 LEU 300 HB3 -0.15 -0.01 0.13 -0.04 1.64 1.57 1vh4B1 LEU 300 HG -0.17 -0.00 -0.19 -0.04 1.64 1.23 1vh4B1 LEU 300 HD13 -0.14 0.02 -0.02 -0.04 0.93 0.75 1vh4B1 LEU 300 HD23 -0.10 0.00 -0.10 -0.04 0.89 0.65 1vh4B1 HIS 301 H -0.18 0.71 0.35 -0.55 8.41 8.74 1vh4B1 HIS 301 HA -0.14 0.25 1.19 -0.75 4.63 5.18 1vh4B1 HIS 301 HB2 -0.67 -0.04 0.18 -0.04 3.26 2.70 1vh4B1 HIS 301 HB3 -0.20 0.03 0.03 -0.04 3.20 3.02 1vh4B1 HIS 301 HD2 -0.17 0.00 -0.19 -0.04 6.97 6.57 1vh4B1 HIS 301 HE1 0.08 -0.00 -0.31 -0.04 7.75 7.47 1vh4B1 LYS 302 H -0.08 0.56 0.38 -0.55 8.42 8.72 1vh4B1 LYS 302 HA -0.04 0.34 1.17 -0.75 4.32 5.04 1vh4B1 LYS 302 HB2 -0.16 -0.03 0.15 -0.04 1.87 1.79 1vh4B1 LYS 302 HB3 -0.34 0.05 0.08 -0.04 1.79 1.54 1vh4B1 LYS 302 HG2 -0.29 -0.05 -0.07 -0.04 1.46 1.01 1vh4B1 LYS 302 HG3 -0.22 -0.08 -0.24 -0.04 1.46 0.87 1vh4B1 LYS 302 HD2 -0.31 -0.09 -0.04 -0.04 1.69 1.21 1vh4B1 LYS 302 HD3 -0.50 0.10 0.02 -0.04 1.68 1.25 1vh4B1 LYS 302 HE2 -2.00 -0.01 -0.01 -0.04 2.99 0.93 1vh4B1 LYS 302 HE3 -0.51 -0.11 -0.02 -0.04 2.99 2.32 1vh4B1 THR 303 H 0.18 0.55 0.48 -0.55 8.28 8.93 1vh4B1 THR 303 HA 0.08 0.30 1.17 -0.75 4.39 5.19 1vh4B1 THR 303 HB 0.04 0.08 0.09 -0.04 4.32 4.48 1vh4B1 THR 303 HG23 0.03 -0.01 -0.22 -0.04 1.22 0.98 1vh4B1 ILE 304 H 0.05 0.68 0.35 -0.55 8.25 8.78 1vh4B1 ILE 304 HA -0.04 0.19 0.85 -0.75 4.18 4.43 1vh4B1 ILE 304 HB 0.01 0.02 0.17 -0.04 1.89 2.06 1vh4B1 ILE 304 HG12 -0.01 -0.05 -0.03 -0.04 1.49 1.36 1vh4B1 ILE 304 HG13 0.04 0.09 -0.08 -0.04 1.21 1.22 1vh4B1 ILE 304 HG23 -0.07 -0.01 -0.11 -0.04 0.93 0.69 1vh4B1 ILE 304 HD13 0.22 -0.00 -0.20 -0.04 0.88 0.85 1vh4B1 VAL 305 H -0.04 0.63 0.28 -0.55 8.24 8.56 1vh4B1 VAL 305 HA -0.01 0.33 0.97 -0.75 4.13 4.66 1vh4B1 VAL 305 HB -0.03 -0.12 0.08 -0.04 2.12 2.02 1vh4B1 VAL 305 HG13 -0.01 0.04 -0.25 -0.04 0.97 0.71 1vh4B1 VAL 305 HG23 -0.01 0.00 -0.17 -0.04 0.95 0.73 1vh4B1 SER 306 H -0.02 0.71 0.27 -0.55 8.46 8.88 1vh4B1 SER 306 HA -0.03 0.31 1.08 -0.75 4.49 5.10 1vh4B1 SER 306 HB2 -0.02 0.00 0.09 -0.04 3.95 3.97 1vh4B1 SER 306 HB3 -0.02 -0.14 0.15 -0.04 3.93 3.87 1vh4B1 ASP 307 H -0.02 0.10 0.21 -0.55 8.40 8.15 1vh4B1 ASP 307 HA -0.01 -0.04 0.38 -0.75 4.63 4.20 1vh4B1 ASP 307 HB2 -0.01 0.18 0.12 -0.04 2.71 2.96 1vh4B1 ASP 307 HB3 -0.00 0.02 0.26 -0.04 2.70 2.93 1vh4B1 LYS 308 H -0.00 0.38 0.22 -0.55 8.42 8.47 1vh4B1 LYS 308 HA 0.00 0.28 0.65 -0.75 4.32 4.50 1vh4B1 LYS 308 HB2 0.01 0.04 0.16 -0.04 1.87 2.04 1vh4B1 LYS 308 HB3 0.01 0.00 0.22 -0.04 1.79 1.98 1vh4B1 LYS 308 HG2 0.00 0.03 -0.06 -0.04 1.46 1.39 1vh4B1 LYS 308 HG3 0.00 -0.14 -0.06 -0.04 1.46 1.22 1vh4B1 LYS 308 HD2 0.01 -0.03 -0.01 -0.04 1.69 1.63 1vh4B1 LYS 308 HD3 0.01 0.03 0.03 -0.04 1.68 1.71 1vh4B1 LYS 308 HE2 0.01 0.01 -0.02 -0.04 2.99 2.95 1vh4B1 LYS 308 HE3 0.00 -0.05 -0.02 -0.04 2.99 2.87 1vh4B1 GLY 309 H -0.00 0.42 -0.47 -0.55 8.43 7.84 1vh4B1 GLY 309 HA2 0.00 0.17 0.29 -0.51 4.01 3.97 1vh4B1 GLY 309 HA3 -0.00 -0.04 -0.01 -0.51 4.01 3.45 1vh4B1 ARG 310 H 0.00 0.49 0.24 -0.55 8.46 8.64 1vh4B1 ARG 310 HA -0.00 0.30 0.95 -0.75 4.34 4.84 1vh4B1 ARG 310 HB2 0.02 0.06 -0.19 -0.04 1.90 1.75 1vh4B1 ARG 310 HB3 0.03 -0.01 0.14 -0.04 1.80 1.91 1vh4B1 ARG 310 HG2 0.00 -0.01 -0.36 -0.04 1.67 1.26 1vh4B1 ARG 310 HG3 -0.01 -0.08 -0.17 -0.04 1.67 1.38 1vh4B1 ARG 310 HD2 0.08 0.06 -0.01 -0.04 3.22 3.31 1vh4B1 ARG 310 HD3 0.10 -0.09 -0.06 -0.04 3.22 3.13 1vh4B1 ALA 311 H -0.01 0.45 0.34 -0.55 8.40 8.63 1vh4B1 ALA 311 HA -0.00 0.26 1.07 -0.75 4.34 4.92 1vh4B1 ALA 311 HB3 0.01 -0.02 0.05 -0.04 1.41 1.41 1vh4B1 VAL 312 H -0.00 0.65 0.40 -0.55 8.24 8.74 1vh4B1 VAL 312 HA -0.06 0.27 1.06 -0.75 4.13 4.65 1vh4B1 VAL 312 HB -0.02 -0.09 0.10 -0.04 2.12 2.07 1vh4B1 VAL 312 HG13 0.01 -0.02 -0.17 -0.04 0.97 0.75 1vh4B1 VAL 312 HG23 0.03 0.00 -0.33 -0.04 0.95 0.62 1vh4B1 PHE 313 H 0.04 0.67 0.40 -0.55 8.34 8.90 1vh4B1 PHE 313 HA -0.11 0.39 1.00 -0.75 4.62 5.15 1vh4B1 PHE 313 HB2 -0.08 0.02 -0.01 -0.04 3.15 3.05 1vh4B1 PHE 313 HB3 -0.08 -0.08 0.10 -0.04 3.06 2.95 1vh4B1 PHE 313 HD2 -0.18 -0.01 -0.13 -0.04 7.28 6.92 1vh4B1 PHE 313 HE2 -0.61 -0.03 -0.18 -0.04 7.38 6.51 1vh4B1 PHE 313 HZ -0.15 -0.04 -0.17 -0.04 7.32 6.92 1vh4B1 ASN 314 H -0.99 0.55 0.28 -0.55 8.53 7.83 1vh4B1 ASN 314 HA -0.50 0.20 0.84 -0.75 4.76 4.54 1vh4B1 ASN 314 HB2 -0.25 -0.00 -0.22 -0.04 2.88 2.37 1vh4B1 ASN 314 HB3 -0.31 -0.07 0.08 -0.04 2.79 2.44 1vh4B1 ASN 314 HD21 -0.05 -0.03 -0.11 -0.04 7.03 6.80 1vh4B1 ASN 314 HD22 -0.12 -0.05 -0.19 -0.04 7.74 7.34 1vh4B1 GLY 315 H -0.41 0.58 0.23 -0.55 8.43 8.28 1vh4B1 GLY 315 HA2 -0.25 0.24 1.03 -0.51 4.01 4.52 1vh4B1 GLY 315 HA3 -0.11 -0.03 0.29 -0.51 4.01 3.65 1vh4B1 LEU 316 H -0.07 0.58 0.27 -0.55 8.37 8.59 1vh4B1 LEU 316 HA -0.11 0.21 0.99 -0.75 4.35 4.69 1vh4B1 LEU 316 HB2 -0.14 0.02 -0.03 -0.04 1.64 1.45 1vh4B1 LEU 316 HB3 -0.26 -0.03 0.20 -0.04 1.64 1.51 1vh4B1 LEU 316 HG -0.43 -0.00 -0.09 -0.04 1.64 1.08 1vh4B1 LEU 316 HD13 -0.99 -0.02 -0.32 -0.04 0.93 -0.44 1vh4B1 LEU 316 HD23 -0.20 0.00 -0.19 -0.04 0.89 0.46 1vh4B1 ILE 317 H -0.11 0.59 0.22 -0.55 8.25 8.40 1vh4B1 ILE 317 HA -0.12 0.24 0.93 -0.75 4.18 4.47 1vh4B1 ILE 317 HB -0.05 0.00 0.13 -0.04 1.89 1.92 1vh4B1 ILE 317 HG12 0.03 0.02 -0.10 -0.04 1.49 1.39 1vh4B1 ILE 317 HG13 0.02 -0.04 -0.38 -0.04 1.21 0.77 1vh4B1 ILE 317 HG23 -0.01 -0.02 -0.22 -0.04 0.93 0.64 1vh4B1 ILE 317 HD13 0.04 -0.00 -0.21 -0.04 0.88 0.67 1vh4B1 ASN 318 H -0.20 0.77 0.32 -0.55 8.53 8.87 1vh4B1 ASN 318 HA -0.26 0.29 1.03 -0.75 4.76 5.06 1vh4B1 ASN 318 HB2 -0.32 -0.02 0.00 -0.04 2.88 2.50 1vh4B1 ASN 318 HB3 -0.21 -0.02 0.18 -0.04 2.79 2.70 1vh4B1 ASN 318 HD21 0.23 -0.02 -0.06 -0.04 7.03 7.14 1vh4B1 ASN 318 HD22 -0.08 -0.01 -0.02 -0.04 7.74 7.59 1vh4B1 VAL 319 H -0.28 0.70 0.34 -0.55 8.24 8.45 1vh4B1 VAL 319 HA -0.01 0.18 0.94 -0.75 4.13 4.49 1vh4B1 VAL 319 HB -0.20 -0.16 0.28 -0.04 2.12 2.00 1vh4B1 VAL 319 HG13 -0.11 0.03 -0.08 -0.04 0.97 0.77 1vh4B1 VAL 319 HG23 -0.21 0.01 -0.11 -0.04 0.95 0.59 1vh4B1 ALA 320 H 0.04 0.64 0.12 -0.55 8.40 8.65 1vh4B1 ALA 320 HA 0.14 -0.01 0.37 -0.75 4.34 4.10 1vh4B1 ALA 320 HB3 0.07 0.03 0.08 -0.04 1.41 1.55 1vh4B1 GLN 321 H 0.07 0.08 0.14 -0.55 8.47 8.21 1vh4B1 GLN 321 HA -0.08 0.30 0.33 -0.75 4.36 4.16 1vh4B1 GLN 321 HB2 -0.09 0.01 0.19 -0.04 2.15 2.22 1vh4B1 GLN 321 HB3 -0.10 -0.01 0.11 -0.04 2.02 1.97 1vh4B1 GLN 321 HG2 -1.42 -0.02 -0.09 -0.04 2.40 0.83 1vh4B1 GLN 321 HG3 -0.43 0.05 0.18 -0.04 2.39 2.15 1vh4B1 GLN 321 HE21 -0.09 -0.01 0.04 -0.04 6.97 6.87 1vh4B1 GLN 321 HE22 -0.17 0.02 0.07 -0.04 7.69 7.57 1vh4B1 HIS 322 H -0.19 0.12 0.18 -0.55 8.41 7.97 1vh4B1 HIS 322 HA 0.00 -0.06 0.34 -0.75 4.63 4.15 1vh4B1 HIS 322 HB2 0.03 0.29 0.03 -0.04 3.26 3.57 1vh4B1 HIS 322 HB3 0.03 -0.05 0.20 -0.04 3.20 3.33 1vh4B1 HIS 322 HD2 0.01 -0.04 0.08 -0.04 6.97 6.98 1vh4B1 HIS 322 HE1 0.01 0.02 -0.01 -0.04 7.75 7.72 1vh4B1 ALA 323 H 0.02 0.53 -0.55 -0.55 8.40 7.84 1vh4B1 ALA 323 HA 0.03 0.01 0.35 -0.75 4.34 3.98 1vh4B1 ALA 323 HB3 0.02 0.04 -0.26 -0.04 1.41 1.17 1vh4B1 ILE 324 H -0.06 0.53 -0.20 -0.55 8.25 7.97 1vh4B1 ILE 324 HA -0.14 0.07 0.39 -0.75 4.18 3.75 1vh4B1 ILE 324 HB -0.18 0.03 0.13 -0.04 1.89 1.83 1vh4B1 ILE 324 HG12 -0.08 0.11 0.13 -0.04 1.49 1.61 1vh4B1 ILE 324 HG13 -0.72 -0.04 -0.11 -0.04 1.21 0.30 1vh4B1 ILE 324 HG23 -0.01 -0.02 0.02 -0.04 0.93 0.88 1vh4B1 ILE 324 HD13 0.06 0.00 0.02 -0.04 0.88 0.91 1vh4B1 LYS 325 H -0.21 0.71 0.38 -0.55 8.42 8.74 1vh4B1 LYS 325 HA -0.18 0.09 0.35 -0.75 4.32 3.82 1vh4B1 LYS 325 HB2 -0.97 0.01 0.21 -0.04 1.87 1.08 1vh4B1 LYS 325 HB3 -0.16 0.03 0.22 -0.04 1.79 1.84 1vh4B1 LYS 325 HG2 -0.52 -0.08 -0.19 -0.04 1.46 0.64 1vh4B1 LYS 325 HG3 -0.06 0.01 0.00 -0.04 1.46 1.37 1vh4B1 LYS 325 HD2 -0.06 0.03 0.03 -0.04 1.69 1.65 1vh4B1 LYS 325 HD3 -0.14 0.07 0.09 -0.04 1.68 1.67 1vh4B1 LYS 325 HE2 -0.03 -0.04 0.01 -0.04 2.99 2.89 1vh4B1 LYS 325 HE3 0.04 0.01 0.00 -0.04 2.99 3.00 1vh4B1 THR 326 H -0.18 0.16 -0.14 -0.55 8.28 7.57 1vh4B1 THR 326 HA -0.10 0.12 0.56 -0.75 4.39 4.22 1vh4B1 THR 326 HB -0.20 -0.09 0.12 -0.04 4.32 4.10 1vh4B1 THR 326 HG23 -0.67 -0.02 -0.15 -0.04 1.22 0.34 1vh4B1 ASP 327 H -0.08 0.64 0.28 -0.55 8.40 8.69 1vh4B1 ASP 327 HA -0.09 0.24 0.89 -0.75 4.63 4.92 1vh4B1 ASP 327 HB2 -0.04 0.02 -0.06 -0.04 2.71 2.59 1vh4B1 ASP 327 HB3 -0.01 -0.04 0.26 -0.04 2.70 2.87 1vh4B1 GLY 328 H -0.13 0.49 0.28 -0.55 8.43 8.52 1vh4B1 GLY 328 HA2 -0.01 0.27 1.18 -0.51 4.01 4.95 1vh4B1 GLY 328 HA3 -0.11 -0.07 0.36 -0.51 4.01 3.68 1vh4B1 GLN 329 H 0.00 0.59 0.33 -0.55 8.47 8.85 1vh4B1 GLN 329 HA -0.01 0.31 1.02 -0.75 4.36 4.92 1vh4B1 GLN 329 HB2 -0.01 -0.01 0.14 -0.04 2.15 2.23 1vh4B1 GLN 329 HB3 -0.01 -0.02 -0.03 -0.04 2.02 1.93 1vh4B1 GLN 329 HG2 -0.02 0.03 -0.08 -0.04 2.40 2.28 1vh4B1 GLN 329 HG3 -0.02 -0.01 -0.32 -0.04 2.39 2.00 1vh4B1 GLN 329 HE21 -0.01 -0.02 -0.08 -0.04 6.97 6.82 1vh4B1 GLN 329 HE22 -0.02 0.01 -0.11 -0.04 7.69 7.53 1vh4B1 MET 330 H 0.05 0.43 0.31 -0.55 8.47 8.71 1vh4B1 MET 330 HA 0.05 0.14 0.96 -0.75 4.52 4.92 1vh4B1 MET 330 HB2 0.11 0.02 -0.18 -0.04 2.15 2.06 1vh4B1 MET 330 HB3 0.15 -0.03 0.11 -0.04 2.03 2.23 1vh4B1 MET 330 HG2 0.11 -0.00 -0.26 -0.04 2.63 2.43 1vh4B1 MET 330 HG3 0.22 0.03 -0.05 -0.04 2.56 2.72 1vh4B1 MET 330 HE3 0.17 -0.00 -0.08 -0.04 2.10 2.15 1vh4B1 THR 331 H -0.03 0.70 0.34 -0.55 8.28 8.75 1vh4B1 THR 331 HA -0.04 0.22 1.09 -0.75 4.39 4.91 1vh4B1 THR 331 HB -0.07 0.01 0.19 -0.04 4.32 4.41 1vh4B1 THR 331 HG23 -0.06 -0.02 -0.17 -0.04 1.22 0.93 1vh4B1 ASN 332 H -0.11 0.60 0.28 -0.55 8.53 8.75 1vh4B1 ASN 332 HA -0.25 0.38 1.11 -0.75 4.76 5.24 1vh4B1 ASN 332 HB2 -0.91 -0.03 -0.03 -0.04 2.88 1.87 1vh4B1 ASN 332 HB3 -0.25 -0.02 0.22 -0.04 2.79 2.69 1vh4B1 ASN 332 HD21 -0.11 -0.07 -0.23 -0.04 7.03 6.58 1vh4B1 ASN 332 HD22 -0.25 0.48 0.08 -0.04 7.74 8.01 1vh4B1 ASN 333 H -0.09 0.42 0.25 -0.55 8.53 8.56 1vh4B1 ASN 333 HA 0.04 0.07 1.01 -0.75 4.76 5.13 1vh4B1 ASN 333 HB2 -0.08 0.01 0.15 -0.04 2.88 2.91 1vh4B1 ASN 333 HB3 0.25 0.01 0.01 -0.04 2.79 3.02 1vh4B1 ASN 333 HD21 -0.01 -0.01 -0.14 -0.04 7.03 6.82 1vh4B1 ASN 333 HD22 0.03 0.00 -0.03 -0.04 7.74 7.70 1vh4B1 ASN 334 H 0.07 0.51 0.24 -0.55 8.53 8.80 1vh4B1 ASN 334 HA 0.12 0.17 1.12 -0.75 4.76 5.42 1vh4B1 ASN 334 HB2 0.00 -0.01 0.21 -0.04 2.88 3.05 1vh4B1 ASN 334 HB3 0.00 0.00 -0.05 -0.04 2.79 2.70 1vh4B1 ASN 334 HD21 -0.04 -0.05 -0.21 -0.04 7.03 6.69 1vh4B1 ASN 334 HD22 -0.01 0.26 -0.02 -0.04 7.74 7.92 1vh4B1 LEU 335 H -0.04 0.75 0.28 -0.55 8.37 8.82 1vh4B1 LEU 335 HA -0.19 0.23 0.89 -0.75 4.35 4.53 1vh4B1 LEU 335 HB2 -1.04 -0.02 -0.01 -0.04 1.64 0.52 1vh4B1 LEU 335 HB3 -0.40 0.03 0.27 -0.04 1.64 1.50 1vh4B1 LEU 335 HG -0.24 0.01 -0.22 -0.04 1.64 1.14 1vh4B1 LEU 335 HD13 -0.29 0.00 -0.28 -0.04 0.93 0.31 1vh4B1 LEU 335 HD23 -0.51 -0.01 -0.08 -0.04 0.89 0.25 1vh4B1 LEU 336 H -0.09 0.73 0.38 -0.55 8.37 8.85 1vh4B1 LEU 336 HA -0.05 0.17 0.87 -0.75 4.35 4.59 1vh4B1 LEU 336 HB2 -0.05 -0.06 0.04 -0.04 1.64 1.53 1vh4B1 LEU 336 HB3 -0.04 0.09 -0.10 -0.04 1.64 1.56 1vh4B1 LEU 336 HG -0.04 -0.04 -0.17 -0.04 1.64 1.35 1vh4B1 LEU 336 HD13 -0.03 0.02 -0.17 -0.04 0.93 0.72 1vh4B1 LEU 336 HD23 -0.03 0.01 -0.33 -0.04 0.89 0.50 1vh4B1 MET 337 H -0.05 0.93 0.32 -0.55 8.47 9.13 1vh4B1 MET 337 HA -0.05 0.02 0.94 -0.75 4.52 4.68 1vh4B1 MET 337 HB2 -0.04 0.01 0.29 -0.04 2.15 2.37 1vh4B1 MET 337 HB3 -0.05 -0.08 0.12 -0.04 2.03 1.99 1vh4B1 MET 337 HG2 -0.08 0.06 -0.25 -0.04 2.63 2.32 1vh4B1 MET 337 HG3 -0.07 0.04 -0.11 -0.04 2.56 2.39 1vh4B1 MET 337 HE3 -0.06 -0.01 0.02 -0.04 2.10 2.02 1vh4B1 GLY 338 H -0.03 0.12 0.06 -0.55 8.43 8.03 1vh4B1 GLY 338 HA2 -0.02 -0.03 0.40 -0.51 4.01 3.85 1vh4B1 GLY 338 HA3 -0.02 0.18 0.68 -0.51 4.01 4.34 1vh4B1 LYS 339 H -0.01 0.12 0.16 -0.55 8.42 8.14 1vh4B1 LYS 339 HA -0.01 0.14 0.32 -0.75 4.32 4.01 1vh4B1 LYS 339 HB2 -0.01 0.03 0.06 -0.04 1.87 1.91 1vh4B1 LYS 339 HB3 -0.01 0.05 0.16 -0.04 1.79 1.96 1vh4B1 LYS 339 HG2 -0.01 0.01 0.04 -0.04 1.46 1.46 1vh4B1 LYS 339 HG3 -0.01 -0.09 0.14 -0.04 1.46 1.46 1vh4B1 LYS 339 HD2 -0.01 0.02 0.04 -0.04 1.69 1.70 1vh4B1 LYS 339 HD3 -0.01 -0.02 0.04 -0.04 1.68 1.65 1vh4B1 LYS 339 HE2 -0.00 0.05 0.02 -0.04 2.99 3.01 1vh4B1 LYS 339 HE3 -0.00 0.00 0.02 -0.04 2.99 2.97 1vh4B1 LEU 340 H -0.01 0.03 -0.36 -0.55 8.37 7.49 1vh4B1 LEU 340 HA -0.00 0.20 0.93 -0.75 4.35 4.73 1vh4B1 LEU 340 HB2 -0.00 0.13 -0.18 -0.04 1.64 1.55 1vh4B1 LEU 340 HB3 0.00 0.01 0.08 -0.04 1.64 1.69 1vh4B1 LEU 340 HG -0.00 -0.17 -0.15 -0.04 1.64 1.27 1vh4B1 LEU 340 HD13 0.00 -0.01 -0.06 -0.04 0.93 0.81 1vh4B1 LEU 340 HD23 0.00 0.05 -0.14 -0.04 0.89 0.76 1vh4B1 ALA 341 H -0.01 0.10 -0.16 -0.55 8.40 7.78 1vh4B1 ALA 341 HA -0.01 0.27 0.41 -0.75 4.34 4.26 1vh4B1 ALA 341 HB3 -0.02 -0.02 -0.13 -0.04 1.41 1.20 1vh4B1 GLU 342 H -0.01 0.53 0.25 -0.55 8.60 8.82 1vh4B1 GLU 342 HA -0.02 0.11 0.87 -0.75 4.29 4.49 1vh4B1 GLU 342 HB2 -0.00 0.06 0.03 -0.04 2.09 2.14 1vh4B1 GLU 342 HB3 -0.01 -0.07 -0.07 -0.04 1.99 1.79 1vh4B1 GLU 342 HG2 0.00 -0.03 -0.15 -0.04 2.34 2.13 1vh4B1 GLU 342 HG3 0.00 0.16 -0.51 -0.04 2.34 1.96 1vh4B1 VAL 343 H -0.05 0.26 0.13 -0.55 8.24 8.03 1vh4B1 VAL 343 HA -0.05 0.31 0.86 -0.75 4.13 4.49 1vh4B1 VAL 343 HB -0.03 0.01 -0.18 -0.04 2.12 1.88 1vh4B1 VAL 343 HG13 -0.03 -0.02 -0.09 -0.04 0.97 0.79 1vh4B1 VAL 343 HG23 -0.02 -0.01 -0.18 -0.04 0.95 0.69 1vh4B1 ASP 344 H -0.14 0.66 0.32 -0.55 8.40 8.68 1vh4B1 ASP 344 HA -0.27 0.15 0.90 -0.75 4.63 4.66 1vh4B1 ASP 344 HB2 -0.72 -0.03 0.14 -0.04 2.71 2.07 1vh4B1 ASP 344 HB3 -1.43 -0.00 0.04 -0.04 2.70 1.27 1vh4B1 THR 345 H -0.11 0.25 0.13 -0.55 8.28 8.00 1vh4B1 THR 345 HA 0.03 0.27 0.92 -0.75 4.39 4.86 1vh4B1 THR 345 HB 0.06 0.02 -0.15 -0.04 4.32 4.21 1vh4B1 THR 345 HG23 -0.02 0.00 -0.07 -0.04 1.22 1.09 1vh4B1 LYS 346 H -0.01 0.52 0.07 -0.55 8.42 8.45 1vh4B1 LYS 346 HA -0.01 0.22 0.90 -0.75 4.32 4.67 1vh4B1 LYS 346 HB2 -0.05 -0.02 0.20 -0.04 1.87 1.96 1vh4B1 LYS 346 HB3 -0.01 -0.01 0.07 -0.04 1.79 1.79 1vh4B1 LYS 346 HG2 0.05 0.05 -0.04 -0.04 1.46 1.48 1vh4B1 LYS 346 HG3 0.05 -0.08 -0.48 -0.04 1.46 0.91 1vh4B1 LYS 346 HD2 0.26 -0.01 -0.07 -0.04 1.69 1.83 1vh4B1 LYS 346 HD3 0.12 -0.02 -0.05 -0.04 1.68 1.70 1vh4B1 LYS 346 HE2 0.03 -0.03 -0.02 -0.04 2.99 2.92 1vh4B1 LYS 346 HE3 0.06 -0.00 -0.01 -0.04 2.99 2.99 1vh4B1 PRO 347 HA 0.04 0.10 0.75 -0.51 4.44 4.83 1vh4B1 PRO 347 HB2 -0.63 0.02 -0.07 -0.04 2.28 1.56 1vh4B1 PRO 347 HB3 0.07 0.01 -0.00 -0.04 2.02 2.05 1vh4B1 PRO 347 HG2 -0.45 0.03 -0.01 -0.04 2.03 1.56 1vh4B1 PRO 347 HG3 -0.12 0.03 -0.10 -0.04 2.03 1.80 1vh4B1 PRO 347 HD2 -0.08 0.15 0.11 -0.04 3.68 3.82 1vh4B1 PRO 347 HD3 0.02 0.07 -0.32 -0.04 3.65 3.39 1vh4B1 GLN 348 H 0.02 0.86 0.44 -0.55 8.47 9.24 1vh4B1 GLN 348 HA 0.13 0.17 0.94 -0.75 4.36 4.84 1vh4B1 GLN 348 HB2 -0.05 -0.04 0.06 -0.04 2.15 2.07 1vh4B1 GLN 348 HB3 -0.02 -0.03 -0.03 -0.04 2.02 1.90 1vh4B1 GLN 348 HG2 0.00 0.01 -0.15 -0.04 2.40 2.22 1vh4B1 GLN 348 HG3 -0.03 -0.01 -0.80 -0.04 2.39 1.51 1vh4B1 GLN 348 HE21 -0.04 -0.06 -0.07 -0.04 6.97 6.77 1vh4B1 GLN 348 HE22 -0.07 0.35 -0.02 -0.04 7.69 7.90 1vh4B1 LEU 349 H 0.02 0.24 0.17 -0.55 8.37 8.26 1vh4B1 LEU 349 HA -0.09 0.27 1.06 -0.75 4.35 4.84 1vh4B1 LEU 349 HB2 -0.13 -0.01 0.03 -0.04 1.64 1.48 1vh4B1 LEU 349 HB3 -0.16 -0.01 -0.09 -0.04 1.64 1.34 1vh4B1 LEU 349 HG -0.13 -0.06 -0.48 -0.04 1.64 0.93 1vh4B1 LEU 349 HD13 -0.47 -0.01 -0.18 -0.04 0.93 0.24 1vh4B1 LEU 349 HD23 -0.08 0.04 -0.15 -0.04 0.89 0.66 1vh4B1 GLU 350 H -0.22 0.75 0.24 -0.55 8.60 8.82 1vh4B1 GLU 350 HA -0.24 0.15 0.84 -0.75 4.29 4.29 1vh4B1 GLU 350 HB2 -0.28 -0.05 0.24 -0.04 2.09 1.95 1vh4B1 GLU 350 HB3 -0.31 0.00 0.09 -0.04 1.99 1.74 1vh4B1 GLU 350 HG2 -0.05 0.06 -0.03 -0.04 2.34 2.28 1vh4B1 GLU 350 HG3 -0.13 -0.05 -0.39 -0.04 2.34 1.72 1vh4B1 ILE 351 H -0.34 0.25 0.02 -0.55 8.25 7.63 1vh4B1 ILE 351 HA -0.40 0.11 1.12 -0.75 4.18 4.26 1vh4B1 ILE 351 HB -0.16 0.03 0.14 -0.04 1.89 1.86 1vh4B1 ILE 351 HG12 -0.20 -0.05 -0.25 -0.04 1.49 0.95 1vh4B1 ILE 351 HG13 -0.16 0.06 -0.07 -0.04 1.21 0.99 1vh4B1 ILE 351 HG23 -0.14 -0.01 -0.03 -0.04 0.93 0.71 1vh4B1 ILE 351 HD13 -0.20 0.03 -0.20 -0.04 0.88 0.47 1vh4B1 TYR 352 H -0.26 0.61 0.17 -0.55 8.29 8.27 1vh4B1 TYR 352 HA -0.07 0.20 0.83 -0.75 4.56 4.77 1vh4B1 TYR 352 HB2 -0.07 0.02 0.05 -0.04 3.06 3.01 1vh4B1 TYR 352 HB3 -0.07 -0.05 0.17 -0.04 2.98 2.99 1vh4B1 TYR 352 HD2 -0.05 0.05 -0.11 -0.04 7.15 7.00 1vh4B1 TYR 352 HE2 -0.04 0.02 -0.08 -0.04 6.85 6.70 1vh4B1 ALA 353 H -0.07 0.23 -0.13 -0.55 8.40 7.88 1vh4B1 ALA 353 HA -0.05 0.07 0.78 -0.75 4.34 4.40 1vh4B1 ALA 353 HB3 -0.06 0.02 -0.21 -0.04 1.41 1.12 1vh4B1 ASP 354 H -0.03 0.09 0.08 -0.55 8.40 7.99 1vh4B1 ASP 354 HA -0.04 0.22 0.61 -0.75 4.63 4.66 1vh4B1 ASP 354 HB2 -0.02 0.06 0.03 -0.04 2.71 2.73 1vh4B1 ASP 354 HB3 -0.02 0.03 0.03 -0.04 2.70 2.70 1vh4B1 ASP 355 H -0.04 -0.00 -0.03 -0.55 8.40 7.78 1vh4B1 ASP 355 HA -0.05 0.20 0.60 -0.75 4.63 4.63 1vh4B1 ASP 355 HB2 -0.03 0.02 0.13 -0.04 2.71 2.79 1vh4B1 ASP 355 HB3 -0.07 -0.11 0.24 -0.04 2.70 2.72 1vh4B1 VAL 356 H -0.07 0.68 0.08 -0.55 8.24 8.37 1vh4B1 VAL 356 HA -0.11 0.16 0.89 -0.75 4.13 4.31 1vh4B1 VAL 356 HB -0.15 0.05 -0.03 -0.04 2.12 1.95 1vh4B1 VAL 356 HG13 -0.12 -0.09 -0.37 -0.04 0.97 0.35 1vh4B1 VAL 356 HG23 -0.10 -0.00 -0.19 -0.04 0.95 0.61 1vh4B1 LYS 357 H -0.11 0.71 0.20 -0.55 8.42 8.67 1vh4B1 LYS 357 HA -0.07 0.15 0.79 -0.75 4.32 4.44 1vh4B1 LYS 357 HB2 -0.06 0.00 0.25 -0.04 1.87 2.02 1vh4B1 LYS 357 HB3 -0.05 0.01 0.08 -0.04 1.79 1.78 1vh4B1 LYS 357 HG2 -0.04 0.04 0.05 -0.04 1.46 1.46 1vh4B1 LYS 357 HG3 -0.05 -0.04 -0.29 -0.04 1.46 1.03 1vh4B1 LYS 357 HD2 -0.03 0.00 -0.02 -0.04 1.69 1.60 1vh4B1 LYS 357 HD3 -0.03 -0.00 -0.01 -0.04 1.68 1.60 1vh4B1 LYS 357 HE2 -0.03 0.00 -0.03 -0.04 2.99 2.90 1vh4B1 LYS 357 HE3 -0.03 -0.02 -0.07 -0.04 2.99 2.83 1vh4B1 CYS 358 H -0.10 0.24 0.07 -0.55 8.50 8.17 1vh4B1 CYS 358 HA -0.11 0.42 1.07 -0.75 4.58 5.21 1vh4B1 CYS 358 HB2 -0.14 -0.02 0.04 -0.04 2.97 2.81 1vh4B1 CYS 358 HB3 -0.15 0.03 -0.00 -0.04 2.97 2.80 1vh4B1 SER 359 H -0.07 0.59 0.37 -0.55 8.46 8.80 1vh4B1 SER 359 HA -0.15 0.08 0.51 -0.75 4.49 4.17 1vh4B1 SER 359 HB2 -0.03 0.02 0.10 -0.04 3.95 4.00 1vh4B1 SER 359 HB3 -0.06 0.08 -0.12 -0.04 3.93 3.80 1vh4B1 HIS 360 H -0.05 0.30 0.25 -0.55 8.41 8.37 1vh4B1 HIS 360 HA -0.01 0.25 0.84 -0.75 4.63 4.96 1vh4B1 HIS 360 HB2 0.02 0.05 0.13 -0.04 3.26 3.43 1vh4B1 HIS 360 HB3 0.00 0.01 -0.12 -0.04 3.20 3.05 1vh4B1 HIS 360 HD2 -0.00 -0.01 -0.18 -0.04 6.97 6.73 1vh4B1 HIS 360 HE1 -0.02 -0.05 -0.23 -0.04 7.75 7.41 1vh4B1 GLY 361 H 0.06 0.57 0.41 -0.55 8.43 8.92 1vh4B1 GLY 361 HA2 0.06 0.13 0.74 -0.51 4.01 4.43 1vh4B1 GLY 361 HA3 0.03 0.01 0.33 -0.51 4.01 3.86 1vh4B1 ALA 362 H -0.01 0.31 0.22 -0.55 8.40 8.37 1vh4B1 ALA 362 HA -0.06 0.35 0.95 -0.75 4.34 4.83 1vh4B1 ALA 362 HB3 -0.05 0.01 0.04 -0.04 1.41 1.37 1vh4B1 THR 363 H -0.02 0.61 0.45 -0.55 8.28 8.77 1vh4B1 THR 363 HA 0.00 0.19 0.92 -0.75 4.39 4.74 1vh4B1 THR 363 HB 0.02 0.02 0.08 -0.04 4.32 4.40 1vh4B1 THR 363 HG23 0.01 -0.00 -0.12 -0.04 1.22 1.07 1vh4B1 VAL 364 H -0.00 0.26 0.20 -0.55 8.24 8.16 1vh4B1 VAL 364 HA -0.01 0.33 0.95 -0.75 4.13 4.65 1vh4B1 VAL 364 HB -0.01 -0.04 0.11 -0.04 2.12 2.13 1vh4B1 VAL 364 HG13 -0.02 0.00 -0.07 -0.04 0.97 0.84 1vh4B1 VAL 364 HG23 -0.02 -0.00 -0.21 -0.04 0.95 0.68 1vh4B1 GLY 365 H -0.04 0.60 0.38 -0.55 8.43 8.83 1vh4B1 GLY 365 HA2 -0.03 0.05 0.30 -0.51 4.01 3.82 1vh4B1 GLY 365 HA3 -0.03 0.04 0.56 -0.51 4.01 4.07 1vh4B1 ARG 366 H -0.04 0.09 0.16 -0.55 8.46 8.12 1vh4B1 ARG 366 HA -0.09 0.27 0.95 -0.75 4.34 4.72 1vh4B1 ARG 366 HB2 -0.05 -0.07 0.27 -0.04 1.90 2.01 1vh4B1 ARG 366 HB3 -0.04 0.08 0.11 -0.04 1.80 1.90 1vh4B1 ARG 366 HG2 -0.03 -0.05 0.02 -0.04 1.67 1.58 1vh4B1 ARG 366 HG3 -0.03 -0.02 -0.33 -0.04 1.67 1.25 1vh4B1 ARG 366 HD2 -0.02 0.04 0.03 -0.04 3.22 3.23 1vh4B1 ARG 366 HD3 -0.02 0.01 0.01 -0.04 3.22 3.18 1vh4B1 ILE 367 H -0.07 0.18 0.14 -0.55 8.25 7.96 1vh4B1 ILE 367 HA -0.06 0.09 0.63 -0.75 4.18 4.09 1vh4B1 ILE 367 HB -0.04 -0.02 0.15 -0.04 1.89 1.94 1vh4B1 ILE 367 HG12 -0.10 0.04 -0.02 -0.04 1.49 1.38 1vh4B1 ILE 367 HG13 -0.11 -0.00 0.01 -0.04 1.21 1.07 1vh4B1 ILE 367 HG23 -0.01 0.01 -0.13 -0.04 0.93 0.76 1vh4B1 ILE 367 HD13 -0.06 0.01 0.02 -0.04 0.88 0.81 1vh4B1 ASP 368 H -0.01 0.17 0.20 -0.55 8.40 8.22 1vh4B1 ASP 368 HA -0.00 0.11 0.52 -0.75 4.63 4.50 1vh4B1 ASP 368 HB2 0.02 -0.02 0.17 -0.04 2.71 2.85 1vh4B1 ASP 368 HB3 0.02 -0.12 0.07 -0.04 2.70 2.63 1vh4B1 ASP 369 H 0.00 0.21 0.20 -0.55 8.40 8.27 1vh4B1 ASP 369 HA 0.02 0.10 0.34 -0.75 4.63 4.34 1vh4B1 ASP 369 HB2 -0.01 -0.00 0.11 -0.04 2.71 2.77 1vh4B1 ASP 369 HB3 0.01 0.04 0.06 -0.04 2.70 2.78 1vh4B1 GLU 370 H 0.02 0.07 -0.22 -0.55 8.60 7.93 1vh4B1 GLU 370 HA 0.01 0.10 0.39 -0.75 4.29 4.04 1vh4B1 GLU 370 HB2 0.07 -0.02 0.04 -0.04 2.09 2.13 1vh4B1 GLU 370 HB3 0.13 0.08 0.02 -0.04 1.99 2.17 1vh4B1 GLU 370 HG2 -0.02 0.06 0.03 -0.04 2.34 2.37 1vh4B1 GLU 370 HG3 -0.01 -0.11 0.06 -0.04 2.34 2.24 1vh4B1 GLN 371 H 0.08 0.16 -0.25 -0.55 8.47 7.91 1vh4B1 GLN 371 HA 0.20 0.10 0.43 -0.75 4.36 4.33 1vh4B1 GLN 371 HB2 0.07 -0.06 0.11 -0.04 2.15 2.23 1vh4B1 GLN 371 HB3 0.06 0.07 0.09 -0.04 2.02 2.19 1vh4B1 GLN 371 HG2 0.07 0.01 -0.10 -0.04 2.40 2.34 1vh4B1 GLN 371 HG3 0.08 0.01 0.04 -0.04 2.39 2.48 1vh4B1 GLN 371 HE21 0.04 0.05 0.01 -0.04 6.97 7.03 1vh4B1 GLN 371 HE22 0.05 -0.05 0.04 -0.04 7.69 7.68 1vh4B1 ILE 372 H 0.07 0.39 -0.14 -0.55 8.25 8.02 1vh4B1 ILE 372 HA 0.04 0.07 0.43 -0.75 4.18 3.96 1vh4B1 ILE 372 HB 0.02 0.03 0.00 -0.04 1.89 1.90 1vh4B1 ILE 372 HG12 -0.00 -0.03 0.00 -0.04 1.49 1.42 1vh4B1 ILE 372 HG13 0.01 -0.01 -0.01 -0.04 1.21 1.16 1vh4B1 ILE 372 HG23 0.03 0.01 -0.05 -0.04 0.93 0.88 1vh4B1 ILE 372 HD13 -0.00 0.02 -0.04 -0.04 0.88 0.81 1vh4B1 PHE 373 H 0.13 0.44 -0.33 -0.55 8.34 8.03 1vh4B1 PHE 373 HA -0.13 -0.01 0.32 -0.75 4.62 4.04 1vh4B1 PHE 373 HB2 -0.18 0.05 0.09 -0.04 3.15 3.06 1vh4B1 PHE 373 HB3 -0.44 0.19 0.16 -0.04 3.06 2.92 1vh4B1 PHE 373 HD2 -1.09 0.01 -0.08 -0.04 7.28 6.08 1vh4B1 PHE 373 HE2 -0.20 0.01 -0.04 -0.04 7.38 7.10 1vh4B1 PHE 373 HZ -0.10 0.01 -0.02 -0.04 7.32 7.16 1vh4B1 TYR 374 H 0.10 0.35 -0.22 -0.55 8.29 7.97 1vh4B1 TYR 374 HA -0.14 0.06 0.49 -0.75 4.56 4.21 1vh4B1 TYR 374 HB2 0.06 0.10 0.09 -0.04 3.06 3.27 1vh4B1 TYR 374 HB3 0.03 -0.00 0.09 -0.04 2.98 3.05 1vh4B1 TYR 374 HD2 0.12 0.09 0.07 -0.04 7.15 7.39 1vh4B1 TYR 374 HE2 0.16 -0.03 -0.00 -0.04 6.85 6.93 1vh4B1 LEU 375 H 0.02 0.28 -0.37 -0.55 8.37 7.75 1vh4B1 LEU 375 HA 0.01 0.12 0.66 -0.75 4.35 4.39 1vh4B1 LEU 375 HB2 0.00 0.07 0.15 -0.04 1.64 1.82 1vh4B1 LEU 375 HB3 0.00 -0.05 0.03 -0.04 1.64 1.58 1vh4B1 LEU 375 HG 0.06 0.08 -0.01 -0.04 1.64 1.74 1vh4B1 LEU 375 HD13 0.04 -0.02 -0.00 -0.04 0.93 0.90 1vh4B1 LEU 375 HD23 0.04 0.01 -0.06 -0.04 0.89 0.84 1vh4B1 ARG 376 H -0.11 0.61 0.06 -0.55 8.46 8.47 1vh4B1 ARG 376 HA -0.08 0.24 0.40 -0.75 4.34 4.15 1vh4B1 ARG 376 HB2 -0.22 0.09 0.14 -0.04 1.90 1.87 1vh4B1 ARG 376 HB3 -0.12 -0.05 0.02 -0.04 1.80 1.60 1vh4B1 ARG 376 HG2 -0.05 0.05 0.03 -0.04 1.67 1.66 1vh4B1 ARG 376 HG3 -0.04 -0.07 -0.05 -0.04 1.67 1.46 1vh4B1 ARG 376 HD2 -0.04 0.35 -0.05 -0.04 3.22 3.44 1vh4B1 ARG 376 HD3 -0.03 -0.14 -0.08 -0.04 3.22 2.93 1vh4B1 SER 377 H -0.36 0.50 -0.22 -0.55 8.46 7.83 1vh4B1 SER 377 HA -0.25 0.02 0.39 -0.75 4.49 3.90 1vh4B1 SER 377 HB2 -0.25 -0.05 0.09 -0.04 3.95 3.70 1vh4B1 SER 377 HB3 -0.82 0.06 0.10 -0.04 3.93 3.23 1vh4B1 ARG 378 H -0.08 0.33 -0.54 -0.55 8.46 7.62 1vh4B1 ARG 378 HA -0.03 0.10 0.62 -0.75 4.34 4.27 1vh4B1 ARG 378 HB2 -0.02 0.09 0.10 -0.04 1.90 2.02 1vh4B1 ARG 378 HB3 -0.01 -0.06 0.14 -0.04 1.80 1.83 1vh4B1 ARG 378 HG2 -0.00 -0.05 0.01 -0.04 1.67 1.59 1vh4B1 ARG 378 HG3 -0.01 0.15 0.05 -0.04 1.67 1.82 1vh4B1 ARG 378 HD2 0.02 -0.04 0.03 -0.04 3.22 3.19 1vh4B1 ARG 378 HD3 0.01 -0.00 0.09 -0.04 3.22 3.27 1vh4B1 GLY 379 H -0.07 0.57 -0.33 -0.55 8.43 8.05 1vh4B1 GLY 379 HA2 -0.04 0.00 0.26 -0.51 4.01 3.73 1vh4B1 GLY 379 HA3 -0.03 0.10 0.64 -0.51 4.01 4.21 1vh4B1 ILE 380 H -0.04 0.27 -0.13 -0.55 8.25 7.81 1vh4B1 ILE 380 HA -0.01 0.03 0.49 -0.75 4.18 3.94 1vh4B1 ILE 380 HB -0.02 0.02 -0.14 -0.04 1.89 1.71 1vh4B1 ILE 380 HG12 -0.00 -0.01 -0.06 -0.04 1.49 1.38 1vh4B1 ILE 380 HG13 -0.01 0.04 -0.12 -0.04 1.21 1.07 1vh4B1 ILE 380 HG23 0.00 0.03 -0.17 -0.04 0.93 0.75 1vh4B1 ILE 380 HD13 0.00 -0.01 -0.00 -0.04 0.88 0.83 1vh4B1 ASN 381 H -0.01 0.09 0.16 -0.55 8.53 8.22 1vh4B1 ASN 381 HA -0.02 0.19 0.46 -0.75 4.76 4.64 1vh4B1 ASN 381 HB2 -0.01 -0.05 0.18 -0.04 2.88 2.95 1vh4B1 ASN 381 HB3 -0.01 0.15 0.13 -0.04 2.79 3.02 1vh4B1 ASN 381 HD21 -0.00 0.05 0.03 -0.04 7.03 7.07 1vh4B1 ASN 381 HD22 -0.01 0.09 0.06 -0.04 7.74 7.85 1vh4B1 GLN 382 H -0.01 0.18 0.16 -0.55 8.47 8.25 1vh4B1 GLN 382 HA -0.01 0.12 0.36 -0.75 4.36 4.07 1vh4B1 GLN 382 HB2 -0.01 0.06 0.14 -0.04 2.15 2.30 1vh4B1 GLN 382 HB3 -0.01 -0.03 0.15 -0.04 2.02 2.08 1vh4B1 GLN 382 HG2 -0.01 0.03 -0.02 -0.04 2.40 2.36 1vh4B1 GLN 382 HG3 -0.01 -0.00 -0.27 -0.04 2.39 2.07 1vh4B1 GLN 382 HE21 -0.01 0.00 -0.01 -0.04 6.97 6.92 1vh4B1 GLN 382 HE22 -0.01 0.01 -0.01 -0.04 7.69 7.63 1vh4B1 GLN 383 H -0.01 0.11 -0.07 -0.55 8.47 7.95 1vh4B1 GLN 383 HA -0.01 0.08 0.44 -0.75 4.36 4.12 1vh4B1 GLN 383 HB2 -0.00 -0.05 0.05 -0.04 2.15 2.10 1vh4B1 GLN 383 HB3 -0.01 0.25 -0.10 -0.04 2.02 2.12 1vh4B1 GLN 383 HG2 -0.01 -0.01 -0.05 -0.04 2.40 2.28 1vh4B1 GLN 383 HG3 -0.01 -0.06 0.01 -0.04 2.39 2.29 1vh4B1 GLN 383 HE21 -0.01 0.01 -0.01 -0.04 6.97 6.91 1vh4B1 GLN 383 HE22 -0.01 -0.02 -0.05 -0.04 7.69 7.57 1vh4B1 ASP 384 H 0.00 0.03 -0.27 -0.55 8.40 7.61 1vh4B1 ASP 384 HA 0.02 0.14 0.40 -0.75 4.63 4.44 1vh4B1 ASP 384 HB2 0.00 -0.01 0.05 -0.04 2.71 2.71 1vh4B1 ASP 384 HB3 0.02 0.04 -0.04 -0.04 2.70 2.67 1vh4B1 ALA 385 H 0.00 0.56 -0.25 -0.55 8.40 8.17 1vh4B1 ALA 385 HA 0.02 0.02 0.40 -0.75 4.34 4.02 1vh4B1 ALA 385 HB3 -0.00 0.03 0.01 -0.04 1.41 1.41 1vh4B1 GLN 386 H -0.01 0.59 -0.11 -0.55 8.47 8.40 1vh4B1 GLN 386 HA -0.02 -0.04 0.39 -0.75 4.36 3.94 1vh4B1 GLN 386 HB2 -0.02 0.14 0.17 -0.04 2.15 2.39 1vh4B1 GLN 386 HB3 -0.04 -0.03 0.03 -0.04 2.02 1.93 1vh4B1 GLN 386 HG2 -0.02 -0.08 0.04 -0.04 2.40 2.30 1vh4B1 GLN 386 HG3 -0.01 0.18 0.10 -0.04 2.39 2.61 1vh4B1 GLN 386 HE21 -0.02 -0.02 0.01 -0.04 6.97 6.89 1vh4B1 GLN 386 HE22 -0.03 -0.03 0.02 -0.04 7.69 7.62 1vh4B1 GLN 387 H -0.00 0.61 -0.14 -0.55 8.47 8.39 1vh4B1 GLN 387 HA -0.10 0.01 0.53 -0.75 4.36 4.04 1vh4B1 GLN 387 HB2 0.05 0.06 0.16 -0.04 2.15 2.38 1vh4B1 GLN 387 HB3 0.10 -0.04 -0.02 -0.04 2.02 2.02 1vh4B1 GLN 387 HG2 -0.06 -0.09 0.01 -0.04 2.40 2.22 1vh4B1 GLN 387 HG3 -0.01 0.20 0.06 -0.04 2.39 2.60 1vh4B1 GLN 387 HE21 0.02 0.30 -0.21 -0.04 6.97 7.04 1vh4B1 GLN 387 HE22 -0.01 0.42 -0.08 -0.04 7.69 7.98 1vh4B1 MET 388 H 0.06 0.64 -0.11 -0.55 8.47 8.52 1vh4B1 MET 388 HA 0.17 0.02 0.40 -0.75 4.52 4.36 1vh4B1 MET 388 HB2 0.05 0.09 0.16 -0.04 2.15 2.41 1vh4B1 MET 388 HB3 0.06 -0.05 -0.02 -0.04 2.03 1.97 1vh4B1 MET 388 HG2 0.06 -0.04 0.01 -0.04 2.63 2.62 1vh4B1 MET 388 HG3 0.06 0.15 0.05 -0.04 2.56 2.78 1vh4B1 MET 388 HE3 0.03 -0.00 -0.03 -0.04 2.10 2.05 1vh4B1 ILE 389 H 0.03 0.56 -0.17 -0.55 8.25 8.12 1vh4B1 ILE 389 HA 0.07 0.01 0.41 -0.75 4.18 3.91 1vh4B1 ILE 389 HB -0.00 0.12 0.15 -0.04 1.89 2.12 1vh4B1 ILE 389 HG12 0.04 -0.04 -0.03 -0.04 1.49 1.42 1vh4B1 ILE 389 HG13 0.04 0.09 0.02 -0.04 1.21 1.31 1vh4B1 ILE 389 HG23 -0.00 -0.03 -0.11 -0.04 0.93 0.75 1vh4B1 ILE 389 HD13 0.02 -0.02 -0.17 -0.04 0.88 0.67 1vh4B1 ILE 390 H -0.02 0.58 -0.16 -0.55 8.25 8.11 1vh4B1 ILE 390 HA 0.02 -0.00 0.39 -0.75 4.18 3.83 1vh4B1 ILE 390 HB -0.17 0.10 0.15 -0.04 1.89 1.93 1vh4B1 ILE 390 HG12 -0.12 -0.06 -0.01 -0.04 1.49 1.26 1vh4B1 ILE 390 HG13 -0.08 0.05 0.07 -0.04 1.21 1.21 1vh4B1 ILE 390 HG23 -0.09 -0.00 -0.13 -0.04 0.93 0.67 1vh4B1 ILE 390 HD13 -0.10 -0.01 -0.06 -0.04 0.88 0.68 1vh4B1 TYR 391 H 0.03 0.72 -0.06 -0.55 8.29 8.43 1vh4B1 TYR 391 HA 0.05 0.01 0.40 -0.75 4.56 4.27 1vh4B1 TYR 391 HB2 0.02 0.12 0.13 -0.04 3.06 3.29 1vh4B1 TYR 391 HB3 0.02 -0.06 -0.06 -0.04 2.98 2.84 1vh4B1 TYR 391 HD2 0.01 -0.01 -0.09 -0.04 7.15 7.02 1vh4B1 TYR 391 HE2 -0.01 0.01 -0.03 -0.04 6.85 6.79 1vh4B1 ALA 392 H 0.16 0.56 -0.29 -0.55 8.40 8.28 1vh4B1 ALA 392 HA 0.10 -0.01 0.42 -0.75 4.34 4.09 1vh4B1 ALA 392 HB3 0.09 0.02 0.09 -0.04 1.41 1.57 1vh4B1 PHE 393 H 0.23 0.49 -0.22 -0.55 8.34 8.29 1vh4B1 PHE 393 HA 0.02 -0.03 0.37 -0.75 4.62 4.22 1vh4B1 PHE 393 HB2 0.00 0.02 0.10 -0.04 3.15 3.23 1vh4B1 PHE 393 HB3 -0.00 0.17 0.16 -0.04 3.06 3.35 1vh4B1 PHE 393 HD2 -0.01 0.01 -0.10 -0.04 7.28 7.15 1vh4B1 PHE 393 HE2 -0.02 0.03 -0.11 -0.04 7.38 7.24 1vh4B1 PHE 393 HZ -0.03 -0.05 -0.40 -0.04 7.32 6.80 1vh4B1 ALA 394 H 0.17 0.52 -0.24 -0.55 8.40 8.30 1vh4B1 ALA 394 HA -0.05 0.07 0.52 -0.75 4.34 4.13 1vh4B1 ALA 394 HB3 0.14 0.01 0.04 -0.04 1.41 1.56 1vh4B1 ALA 395 H 0.06 0.41 -0.49 -0.55 8.40 7.83 1vh4B1 ALA 395 HA 0.06 -0.04 0.16 -0.75 4.34 3.77 1vh4B1 ALA 395 HB3 0.04 0.05 0.07 -0.04 1.41 1.52 1vh4B1 GLU 396 H -0.03 0.26 -0.20 -0.55 8.60 8.08 1vh4B1 GLU 396 HA -0.01 0.05 0.29 -0.75 4.29 3.87 1vh4B1 GLU 396 HB2 -0.04 0.01 0.05 -0.04 2.09 2.06 1vh4B1 GLU 396 HB3 -0.08 0.04 -0.01 -0.04 1.99 1.89 1vh4B1 GLU 396 HG2 -0.02 0.01 -0.16 -0.04 2.34 2.13 1vh4B1 GLU 396 HG3 -0.01 -0.00 0.03 -0.04 2.34 2.32 1vh4B1 LEU 397 H -0.01 0.31 -0.37 -0.55 8.37 7.76 1vh4B1 LEU 397 HA 0.03 0.09 0.66 -0.75 4.35 4.37 1vh4B1 LEU 397 HB2 0.08 0.16 0.09 -0.04 1.64 1.93 1vh4B1 LEU 397 HB3 -0.02 -0.05 -0.07 -0.04 1.64 1.46 1vh4B1 LEU 397 HG -0.10 -0.03 -0.04 -0.04 1.64 1.42 1vh4B1 LEU 397 HD13 -0.12 -0.03 -0.06 -0.04 0.93 0.68 1vh4B1 LEU 397 HD23 -0.09 -0.01 -0.07 -0.04 0.89 0.68 1vh4B1 THR 398 H 0.11 0.48 0.02 -0.55 8.28 8.34 1vh4B1 THR 398 HA 0.13 0.05 0.35 -0.75 4.39 4.17 1vh4B1 THR 398 HB -0.02 -0.02 0.01 -0.04 4.32 4.25 1vh4B1 THR 398 HG23 0.11 0.01 -0.08 -0.04 1.22 1.22 1vh4B1 GLU 399 H 0.02 0.64 -0.23 -0.55 8.60 8.49 1vh4B1 GLU 399 HA -0.03 0.05 0.24 -0.75 4.29 3.80 1vh4B1 GLU 399 HB2 -0.00 0.12 0.01 -0.04 2.09 2.18 1vh4B1 GLU 399 HB3 -0.02 -0.05 -0.01 -0.04 1.99 1.88 1vh4B1 GLU 399 HG2 -0.00 0.01 -0.01 -0.04 2.34 2.29 1vh4B1 GLU 399 HG3 -0.01 -0.06 -0.07 -0.04 2.34 2.15 1vh4B1 ALA 400 H -0.04 0.30 -0.66 -0.55 8.40 7.46 1vh4B1 ALA 400 HA -0.09 0.03 0.29 -0.75 4.34 3.82 1vh4B1 ALA 400 HB3 -0.36 0.03 0.02 -0.04 1.41 1.05 1vh4B1 LEU 401 H -0.08 0.46 -0.46 -0.55 8.37 7.74 1vh4B1 LEU 401 HA -0.09 -0.03 0.56 -0.75 4.35 4.03 1vh4B1 LEU 401 HB2 -0.10 0.14 0.12 -0.04 1.64 1.75 1vh4B1 LEU 401 HB3 -0.10 -0.12 -0.07 -0.04 1.64 1.31 1vh4B1 LEU 401 HG -0.07 0.08 -0.03 -0.04 1.64 1.57 1vh4B1 LEU 401 HD13 -0.42 -0.01 -0.07 -0.04 0.93 0.39 1vh4B1 LEU 401 HD23 -0.03 -0.01 -0.11 -0.04 0.89 0.69 1vh4B1 ARG 402 H -0.06 0.16 0.13 -0.55 8.46 8.13 1vh4B1 ARG 402 HA -0.05 0.14 0.31 -0.75 4.34 3.98 1vh4B1 ARG 402 HB2 -0.05 -0.08 0.10 -0.04 1.90 1.83 1vh4B1 ARG 402 HB3 -0.05 -0.02 -0.04 -0.04 1.80 1.65 1vh4B1 ARG 402 HG2 -0.06 0.01 -0.02 -0.04 1.67 1.56 1vh4B1 ARG 402 HG3 -0.07 0.18 0.04 -0.04 1.67 1.78 1vh4B1 ARG 402 HD2 -0.06 -0.03 0.01 -0.04 3.22 3.10 1vh4B1 ARG 402 HD3 -0.06 -0.03 -0.02 -0.04 3.22 3.07 1vh4B1 ASP 403 H -0.05 0.07 -0.07 -0.55 8.40 7.80 1vh4B1 ASP 403 HA -0.04 0.09 0.57 -0.75 4.63 4.50 1vh4B1 ASP 403 HB2 -0.04 0.11 0.11 -0.04 2.71 2.85 1vh4B1 ASP 403 HB3 -0.05 -0.04 0.12 -0.04 2.70 2.69 1vh4B1 GLU 404 H -0.04 0.20 0.22 -0.55 8.60 8.44 1vh4B1 GLU 404 HA -0.05 0.18 0.35 -0.75 4.29 4.02 1vh4B1 GLU 404 HB2 -0.04 0.11 0.13 -0.04 2.09 2.25 1vh4B1 GLU 404 HB3 -0.04 -0.06 0.10 -0.04 1.99 1.95 1vh4B1 GLU 404 HG2 -0.04 0.01 -0.03 -0.04 2.34 2.24 1vh4B1 GLU 404 HG3 -0.04 -0.04 -0.19 -0.04 2.34 2.03 1vh4B1 GLY 405 H -0.04 0.09 -0.12 -0.55 8.43 7.82 1vh4B1 GLY 405 HA2 -0.04 0.09 0.41 -0.51 4.01 3.96 1vh4B1 GLY 405 HA3 -0.04 0.08 0.26 -0.51 4.01 3.81 1vh4B1 LEU 406 H -0.05 0.04 -0.31 -0.55 8.37 7.50 1vh4B1 LEU 406 HA -0.07 0.09 0.39 -0.75 4.35 4.01 1vh4B1 LEU 406 HB2 -0.07 -0.02 0.04 -0.04 1.64 1.55 1vh4B1 LEU 406 HB3 -0.07 0.11 0.06 -0.04 1.64 1.69 1vh4B1 LEU 406 HG -0.12 0.02 -0.23 -0.04 1.64 1.27 1vh4B1 LEU 406 HD13 -0.12 -0.00 -0.05 -0.04 0.93 0.72 1vh4B1 LEU 406 HD23 -0.08 -0.01 -0.09 -0.04 0.89 0.68 1vh4B1 LYS 407 H -0.07 0.53 -0.20 -0.55 8.42 8.12 1vh4B1 LYS 407 HA -0.14 0.00 0.28 -0.75 4.32 3.71 1vh4B1 LYS 407 HB2 -0.08 0.18 0.01 -0.04 1.87 1.94 1vh4B1 LYS 407 HB3 -0.07 0.05 0.09 -0.04 1.79 1.81 1vh4B1 LYS 407 HG2 -0.08 -0.13 -0.14 -0.04 1.46 1.06 1vh4B1 LYS 407 HG3 -0.09 0.17 0.01 -0.04 1.46 1.51 1vh4B1 LYS 407 HD2 -0.06 -0.06 -0.10 -0.04 1.69 1.43 1vh4B1 LYS 407 HD3 -0.06 -0.09 -0.17 -0.04 1.68 1.33 1vh4B1 LYS 407 HE2 -0.05 0.06 -0.08 -0.04 2.99 2.88 1vh4B1 LYS 407 HE3 -0.06 0.20 -0.06 -0.04 2.99 3.03 1vh4B1 GLN 408 H -0.06 0.55 -0.22 -0.55 8.47 8.19 1vh4B1 GLN 408 HA -0.07 0.01 0.39 -0.75 4.36 3.93 1vh4B1 GLN 408 HB2 -0.04 0.12 0.13 -0.04 2.15 2.32 1vh4B1 GLN 408 HB3 -0.04 -0.04 0.00 -0.04 2.02 1.89 1vh4B1 GLN 408 HG2 -0.05 0.20 0.05 -0.04 2.40 2.55 1vh4B1 GLN 408 HG3 -0.05 -0.05 -0.01 -0.04 2.39 2.24 1vh4B1 GLN 408 HE21 -0.09 -0.01 -0.07 -0.04 6.97 6.76 1vh4B1 GLN 408 HE22 -0.06 0.03 -0.05 -0.04 7.69 7.56 1vh4B1 GLN 409 H -0.05 0.42 -0.25 -0.55 8.47 8.05 1vh4B1 GLN 409 HA -0.01 0.02 0.50 -0.75 4.36 4.12 1vh4B1 GLN 409 HB2 -0.03 0.16 0.20 -0.04 2.15 2.43 1vh4B1 GLN 409 HB3 0.02 -0.03 0.04 -0.04 2.02 2.01 1vh4B1 GLN 409 HG2 -0.01 -0.02 0.04 -0.04 2.40 2.37 1vh4B1 GLN 409 HG3 -0.03 0.11 0.09 -0.04 2.39 2.52 1vh4B1 GLN 409 HE21 -0.04 0.41 0.00 -0.04 6.97 7.30 1vh4B1 GLN 409 HE22 -0.04 0.22 -0.36 -0.04 7.69 7.47 1vh4B1 VAL 410 H -0.07 0.51 -0.09 -0.55 8.24 8.04 1vh4B1 VAL 410 HA 0.04 0.04 0.43 -0.75 4.13 3.89 1vh4B1 VAL 410 HB -0.23 0.13 0.12 -0.04 2.12 2.10 1vh4B1 VAL 410 HG13 -0.54 -0.02 -0.11 -0.04 0.97 0.27 1vh4B1 VAL 410 HG23 -0.18 0.04 -0.03 -0.04 0.95 0.73 1vh4B1 LEU 411 H -0.06 0.62 -0.13 -0.55 8.37 8.25 1vh4B1 LEU 411 HA 0.09 -0.01 0.39 -0.75 4.35 4.07 1vh4B1 LEU 411 HB2 -0.06 0.11 0.13 -0.04 1.64 1.78 1vh4B1 LEU 411 HB3 -0.09 -0.06 -0.00 -0.04 1.64 1.45 1vh4B1 LEU 411 HG -0.06 0.20 0.03 -0.04 1.64 1.76 1vh4B1 LEU 411 HD13 -0.13 -0.03 -0.12 -0.04 0.93 0.61 1vh4B1 LEU 411 HD23 0.02 -0.02 -0.05 -0.04 0.89 0.79 1vh4B1 ALA 412 H -0.02 0.50 -0.28 -0.55 8.40 8.05 1vh4B1 ALA 412 HA 0.03 -0.01 0.51 -0.75 4.34 4.12 1vh4B1 ALA 412 HB3 -0.01 0.03 0.10 -0.04 1.41 1.49 1vh4B1 ARG 413 H -0.09 0.42 -0.21 -0.55 8.46 8.03 1vh4B1 ARG 413 HA -0.17 0.03 0.43 -0.75 4.34 3.87 1vh4B1 ARG 413 HB2 -0.48 0.02 0.12 -0.04 1.90 1.52 1vh4B1 ARG 413 HB3 -0.43 0.07 0.17 -0.04 1.80 1.57 1vh4B1 ARG 413 HG2 -1.93 -0.05 -0.01 -0.04 1.67 -0.36 1vh4B1 ARG 413 HG3 -0.48 -0.01 -0.08 -0.04 1.67 1.07 1vh4B1 ARG 413 HD2 -0.29 -0.06 0.08 -0.04 3.22 2.91 1vh4B1 ARG 413 HD3 -0.60 -0.02 0.04 -0.04 3.22 2.60 1vh4B1 ILE 414 H -0.04 0.51 -0.18 -0.55 8.25 7.99 1vh4B1 ILE 414 HA -0.04 0.03 0.33 -0.75 4.18 3.75 1vh4B1 ILE 414 HB 0.13 0.13 0.17 -0.04 1.89 2.28 1vh4B1 ILE 414 HG12 0.08 -0.04 -0.06 -0.04 1.49 1.43 1vh4B1 ILE 414 HG13 0.04 0.08 -0.01 -0.04 1.21 1.28 1vh4B1 ILE 414 HG23 -0.08 -0.02 -0.19 -0.04 0.93 0.59 1vh4B1 ILE 414 HD13 0.15 -0.03 -0.12 -0.04 0.88 0.84 1vh4B1 GLY 415 H 0.07 0.54 -0.22 -0.55 8.43 8.27 1vh4B1 GLY 415 HA2 -0.01 -0.05 0.28 -0.51 4.01 3.71 1vh4B1 GLY 415 HA3 0.09 0.06 0.31 -0.51 4.01 3.96 1vh4B1 GLN 416 H -0.03 0.41 -0.44 -0.55 8.47 7.86 1vh4B1 GLN 416 HA -0.02 -0.07 0.36 -0.75 4.36 3.88 1vh4B1 GLN 416 HB2 -0.06 0.26 0.10 -0.04 2.15 2.41 1vh4B1 GLN 416 HB3 -0.03 -0.08 0.07 -0.04 2.02 1.93 1vh4B1 GLN 416 HG2 -0.02 -0.10 0.03 -0.04 2.40 2.27 1vh4B1 GLN 416 HG3 -0.03 0.17 0.06 -0.04 2.39 2.55 1vh4B1 GLN 416 HE21 -0.03 -0.02 -0.03 -0.04 6.97 6.86 1vh4B1 GLN 416 HE22 -0.03 0.01 -0.07 -0.04 7.69 7.56 1vh4B1 ARG 417 H -0.05 0.58 -0.31 -0.55 8.46 8.13 1vh4B1 ARG 417 HA -0.03 0.08 0.81 -0.75 4.34 4.44 1vh4B1 ARG 417 HB2 -0.05 0.12 0.09 -0.04 1.90 2.02 1vh4B1 ARG 417 HB3 -0.03 -0.05 0.11 -0.04 1.80 1.79 1vh4B1 ARG 417 HG2 -0.03 -0.08 -0.04 -0.04 1.67 1.48 1vh4B1 ARG 417 HG3 -0.05 -0.02 -0.16 -0.04 1.67 1.41 1vh4B1 ARG 417 HD2 -0.03 -0.02 -0.00 -0.04 3.22 3.12 1vh4B1 ARG 417 HD3 -0.02 0.23 0.06 -0.04 3.22 3.46 1vh4B1 LEU 418 H -0.06 0.40 -0.22 -0.55 8.37 7.95 1vh4B1 LEU 418 HA -0.08 0.09 0.47 -0.75 4.35 4.07 1vh4B1 LEU 418 HB2 -0.07 0.13 0.02 -0.04 1.64 1.68 1vh4B1 LEU 418 HB3 -0.11 -0.03 0.02 -0.04 1.64 1.48 1vh4B1 LEU 418 HG -0.18 0.15 -0.12 -0.04 1.64 1.45 1vh4B1 LEU 418 HD13 -0.54 -0.03 -0.04 -0.04 0.93 0.29 1vh4B1 LEU 418 HD23 -0.23 -0.02 -0.14 -0.04 0.89 0.46 1vh4B1 PRO 419 HA -0.03 0.01 0.45 -0.51 4.44 4.36 1vh4B1 PRO 419 HB2 -0.03 -0.02 0.12 -0.04 2.28 2.32 1vh4B1 PRO 419 HB3 -0.03 -0.02 0.11 -0.04 2.02 2.05 1vh4B1 PRO 419 HG2 -0.04 -0.02 0.06 -0.04 2.03 1.98 1vh4B1 PRO 419 HG3 -0.04 0.05 0.08 -0.04 2.03 2.08 1vh4B1 PRO 419 HD2 -0.07 0.09 0.11 -0.04 3.68 3.77 1vh4B1 PRO 419 HD3 -0.07 0.20 0.17 -0.04 3.65 3.91 1vh4B1 GLY 420 H -0.02 0.12 0.18 -0.55 8.43 8.17 1vh4B1 GLY 420 HA2 -0.01 -0.06 0.33 -0.51 4.01 3.76 1vh4B1 GLY 420 HA3 -0.01 0.04 0.43 -0.51 4.01 3.96 1vh4B1 GLY 421 H -0.02 0.59 -0.55 -0.55 8.43 7.90 1vh4B1 GLY 421 HA2 -0.01 0.28 0.14 -0.51 4.01 3.91 1vh4B1 GLY 421 HA3 -0.01 -0.01 0.13 -0.51 4.01 3.62