============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 75 rings ring int. center anis. iso. TRP 6 1.040 -5.868 6.476 -22.490 -99.200 -91.000 TRP6 6 1.020 -5.279 5.754 -24.672 -99.200 -91.000 TYR 12 0.840 0.480 1.134 -36.544 -99.200 -91.000 PHE 13 1.000 -0.689 9.732 -36.381 -99.200 -91.000 PHE 19 1.000 -3.122 0.057 -40.761 -99.200 -91.000 TYR 37 0.840 -11.146 11.893 -48.858 -99.200 -91.000 TRP 42 1.040 -13.217 5.066 -39.367 -99.200 -91.000 TRP6 42 1.020 -15.190 6.273 -39.787 -99.200 -91.000 TYR 51 0.840 1.344 -4.386 -39.923 -99.200 -91.000 PHE 57 1.000 2.770 -0.148 -31.766 -99.200 -91.000 TRP 61 1.040 -3.680 10.111 -33.233 -99.200 -91.000 TRP6 61 1.020 -1.557 11.134 -32.822 -99.200 -91.000 TYR 75 0.840 -2.144 24.364 -50.205 -99.200 -91.000 TYR 79 0.840 -4.350 13.343 -47.571 -99.200 -91.000 HIS 80 0.900 -5.946 17.002 -44.208 -99.200 -91.000 TYR 82 0.840 -5.399 16.494 -38.689 -99.200 -91.000 TRP 83 1.040 -7.776 21.105 -44.419 -99.200 -91.000 TRP6 83 1.020 -7.188 20.613 -46.664 -99.200 -91.000 TYR 88 0.840 -23.404 17.825 -33.395 -99.200 -91.000 TYR 94 0.840 -11.768 8.938 -43.203 -99.200 -91.000 HIS 108 0.900 -13.592 -0.538 -26.682 -99.200 -91.000 TYR 113 0.840 -7.577 1.716 -23.008 -99.200 -91.000 HIS 122 0.900 -8.132 24.008 -37.614 -99.200 -91.000 TYR 125 0.840 -15.315 28.259 -47.709 -99.200 -91.000 TYR 134 0.840 -17.502 32.953 -41.718 -99.200 -91.000 PHE 137 1.000 -17.316 26.871 -42.010 -99.200 -91.000 PHE 140 1.000 -19.106 25.364 -33.784 -99.200 -91.000 TYR 145 0.840 -22.212 29.994 -33.983 -99.200 -91.000 PHE 146 1.000 -16.429 30.105 -37.797 -99.200 -91.000 HIS 147 0.900 -10.799 34.124 -32.290 -99.200 -91.000 PHE 149 1.000 -8.665 36.252 -43.779 -99.200 -91.000 PHE 151 1.000 -4.180 33.832 -44.080 -99.200 -91.000 TYR 155 0.840 2.881 30.604 -35.577 -99.200 -91.000 TRP 165 1.040 -9.524 33.244 -39.314 -99.200 -91.000 TRP6 165 1.020 -10.909 32.820 -41.170 -99.200 -91.000 TRP 187 1.040 -15.613 23.478 -30.485 -99.200 -91.000 TRP6 187 1.020 -15.751 21.789 -32.154 -99.200 -91.000 TYR 188 0.840 -16.299 23.164 -22.805 -99.200 -91.000 TRP 190 1.040 -18.785 17.129 -31.892 -99.200 -91.000 TRP6 190 1.020 -16.460 16.701 -31.771 -99.200 -91.000 TYR 198 0.840 -19.273 7.610 -33.525 -99.200 -91.000 HIS 210 0.900 -2.182 27.528 -33.700 -99.200 -91.000 PHE 215 1.000 -12.403 24.991 -26.165 -99.200 -91.000 TRP 216 1.040 -7.002 23.878 -24.872 -99.200 -91.000 TRP6 216 1.020 -8.194 22.657 -26.519 -99.200 -91.000 TYR 219 0.840 -12.588 19.455 -26.517 -99.200 -91.000 TYR 226 0.840 -3.928 10.625 -21.940 -99.200 -91.000 TYR 238 0.840 4.142 28.040 -26.491 -99.200 -91.000 TYR 242 0.840 -0.493 25.355 -24.127 -99.200 -91.000 TYR 252 0.840 5.795 18.292 -32.092 -99.200 -91.000 TYR 255 0.840 10.314 15.570 -33.935 -99.200 -91.000 TYR 256 0.840 11.360 20.110 -32.688 -99.200 -91.000 PHE 262 1.000 19.305 7.471 -30.566 -99.200 -91.000 TYR 273 0.840 22.518 12.920 -18.940 -99.200 -91.000 PHE 292 1.000 6.305 13.449 -31.570 -99.200 -91.000 HIS 296 0.900 -0.084 13.911 -38.643 -99.200 -91.000 PHE 301 1.000 15.739 7.906 -37.281 -99.200 -91.000 TYR 304 0.840 15.318 14.215 -40.707 -99.200 -91.000 PHE 317 1.000 14.273 8.364 -25.740 -99.200 -91.000 TYR 328 0.840 2.624 8.666 -39.726 -99.200 -91.000 HIS 334 0.900 14.586 2.093 -42.405 -99.200 -91.000 TYR 335 0.840 5.822 3.050 -45.784 -99.200 -91.000 TRP 348 1.040 -2.713 0.481 -49.922 -99.200 -91.000 TRP6 348 1.020 -4.061 2.218 -49.051 -99.200 -91.000 TYR 352 0.840 -1.150 -3.824 -44.455 -99.200 -91.000 TYR 359 0.840 5.113 -6.687 -37.137 -99.200 -91.000 TYR 371 0.840 7.391 -10.666 -17.940 -99.200 -91.000 PHE 379 1.000 8.497 0.301 -17.185 -99.200 -91.000 TYR 382 0.840 12.441 4.275 -10.986 -99.200 -91.000 TRP 385 1.040 18.881 8.473 -12.759 -99.200 -91.000 TRP6 385 1.020 19.524 7.000 -11.011 -99.200 -91.000 TYR 388 0.840 28.328 5.784 -20.334 -99.200 -91.000 TYR 419 0.840 31.854 0.038 -27.605 -99.200 -91.000 TYR 428 0.840 19.757 -4.517 -13.885 -99.200 -91.000 TYR 464 0.840 12.393 -7.645 -16.660 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2gvyB1 ALA 1 HA -0.06 -0.14 0.26 -0.75 4.34 3.65 2gvyB1 ALA 1 HB3 -0.49 -0.01 0.02 -0.04 1.41 0.89 2gvyB1 THR 2 H 0.06 0.01 0.14 -0.55 8.28 7.94 2gvyB1 THR 2 HA 0.14 0.21 0.35 -0.75 4.39 4.33 2gvyB1 THR 2 HB 0.08 -0.01 0.13 -0.04 4.32 4.47 2gvyB1 THR 2 HG23 0.04 0.04 0.05 -0.04 1.22 1.31 2gvyB1 PRO 3 HA -0.01 0.12 0.55 -0.51 4.44 4.59 2gvyB1 PRO 3 HB2 0.09 -0.01 0.06 -0.04 2.28 2.38 2gvyB1 PRO 3 HB3 0.16 0.12 0.07 -0.04 2.02 2.33 2gvyB1 PRO 3 HG2 0.12 0.07 0.07 -0.04 2.03 2.25 2gvyB1 PRO 3 HG3 0.29 0.00 0.11 -0.04 2.03 2.40 2gvyB1 PRO 3 HD2 0.10 0.07 0.19 -0.04 3.68 4.00 2gvyB1 PRO 3 HD3 0.15 0.21 0.11 -0.04 3.65 4.08 2gvyB1 ALA 4 H 0.07 0.09 -0.19 -0.55 8.40 7.82 2gvyB1 ALA 4 HA 0.04 0.13 0.35 -0.75 4.34 4.10 2gvyB1 ALA 4 HB3 0.03 0.00 0.03 -0.04 1.41 1.44 2gvyB1 ASP 5 H 0.07 -0.00 -0.26 -0.55 8.40 7.66 2gvyB1 ASP 5 HA 0.01 0.06 0.38 -0.75 4.63 4.33 2gvyB1 ASP 5 HB2 0.03 0.16 0.04 -0.04 2.71 2.90 2gvyB1 ASP 5 HB3 0.05 0.07 -0.03 -0.04 2.70 2.75 2gvyB1 TRP 6 H 0.18 0.33 -0.38 -0.55 7.97 7.55 2gvyB1 TRP 6 HA 0.07 0.05 0.36 -0.75 4.62 4.34 2gvyB1 TRP 6 HB2 -0.60 0.05 0.06 -0.04 3.23 2.70 2gvyB1 TRP 6 HB3 -0.59 -0.02 -0.08 -0.04 3.23 2.50 2gvyB1 TRP 6 HD1 -0.04 0.14 -0.35 -0.04 7.22 6.93 2gvyB1 TRP 6 HE1 -0.10 0.66 -0.11 -0.04 10.20 10.61 2gvyB1 TRP 6 HE3 0.08 0.04 -0.14 -0.04 7.59 7.53 2gvyB1 TRP 6 HZ2 0.02 -0.02 -0.45 -0.04 7.44 6.95 2gvyB1 TRP 6 HZ3 0.21 -0.06 -0.29 -0.04 7.13 6.95 2gvyB1 TRP 6 HH2 0.22 -0.06 -0.37 -0.04 7.19 6.94 2gvyB1 ARG 7 H 0.05 0.29 -0.28 -0.55 8.46 7.97 2gvyB1 ARG 7 HA 0.05 0.09 0.26 -0.75 4.34 3.99 2gvyB1 ARG 7 HB2 0.04 0.07 0.09 -0.04 1.90 2.06 2gvyB1 ARG 7 HB3 0.05 -0.02 -0.02 -0.04 1.80 1.76 2gvyB1 ARG 7 HG2 0.02 0.17 0.00 -0.04 1.67 1.82 2gvyB1 ARG 7 HG3 0.02 -0.01 -0.00 -0.04 1.67 1.64 2gvyB1 ARG 7 HD2 0.03 -0.08 -0.09 -0.04 3.22 3.04 2gvyB1 ARG 7 HD3 0.03 0.16 -0.08 -0.04 3.22 3.28 2gvyB1 SER 8 H 0.02 0.19 -0.42 -0.55 8.46 7.70 2gvyB1 SER 8 HA 0.06 0.18 0.66 -0.75 4.49 4.65 2gvyB1 SER 8 HB2 -0.02 -0.02 0.12 -0.04 3.95 3.98 2gvyB1 SER 8 HB3 0.01 -0.09 0.04 -0.04 3.93 3.85 2gvyB1 GLN 9 H 0.08 0.46 -0.35 -0.55 8.47 8.12 2gvyB1 GLN 9 HA -0.06 0.06 0.43 -0.75 4.36 4.04 2gvyB1 GLN 9 HB2 0.37 0.07 -0.07 -0.04 2.15 2.48 2gvyB1 GLN 9 HB3 0.06 -0.17 -0.10 -0.04 2.02 1.77 2gvyB1 GLN 9 HG2 -0.14 0.06 0.05 -0.04 2.40 2.33 2gvyB1 GLN 9 HG3 -0.82 -0.10 -0.11 -0.04 2.39 1.32 2gvyB1 GLN 9 HE21 -0.44 -0.00 -0.08 -0.04 6.97 6.41 2gvyB1 GLN 9 HE22 -0.24 0.21 -0.05 -0.04 7.69 7.57 2gvyB1 SER 10 H 0.11 0.05 0.16 -0.55 8.46 8.23 2gvyB1 SER 10 HA 0.23 0.29 0.79 -0.75 4.49 5.05 2gvyB1 SER 10 HB2 0.06 0.20 -0.03 -0.04 3.95 4.14 2gvyB1 SER 10 HB3 0.08 -0.07 0.20 -0.04 3.93 4.09 2gvyB1 ILE 11 H 0.34 0.85 0.17 -0.55 8.25 9.07 2gvyB1 ILE 11 HA 0.32 0.25 0.77 -0.75 4.18 4.76 2gvyB1 ILE 11 HB 0.32 0.08 0.04 -0.04 1.89 2.29 2gvyB1 ILE 11 HG12 0.61 -0.03 -0.38 -0.04 1.49 1.65 2gvyB1 ILE 11 HG13 0.46 0.09 -0.34 -0.04 1.21 1.38 2gvyB1 ILE 11 HG23 0.39 -0.07 -0.50 -0.04 0.93 0.70 2gvyB1 ILE 11 HD13 0.26 -0.01 -0.26 -0.04 0.88 0.83 2gvyB1 TYR 12 H 0.06 0.69 0.34 -0.55 8.29 8.84 2gvyB1 TYR 12 HA -0.56 0.19 0.94 -0.75 4.56 4.38 2gvyB1 TYR 12 HB2 -1.27 0.07 0.08 -0.04 3.06 1.90 2gvyB1 TYR 12 HB3 -0.34 0.01 0.24 -0.04 2.98 2.85 2gvyB1 TYR 12 HD2 -0.64 0.02 -0.09 -0.04 7.15 6.39 2gvyB1 TYR 12 HE2 -0.41 -0.09 -0.10 -0.04 6.85 6.21 2gvyB1 PHE 13 H -0.24 0.75 0.24 -0.55 8.34 8.53 2gvyB1 PHE 13 HA -0.42 0.18 0.81 -0.75 4.62 4.44 2gvyB1 PHE 13 HB2 -0.66 0.03 -0.06 -0.04 3.15 2.41 2gvyB1 PHE 13 HB3 -0.47 0.05 0.01 -0.04 3.06 2.61 2gvyB1 PHE 13 HD2 -1.35 0.11 -0.06 -0.04 7.28 5.94 2gvyB1 PHE 13 HE2 -1.11 -0.12 -0.12 -0.04 7.38 5.99 2gvyB1 PHE 13 HZ -1.70 -0.05 -0.12 -0.04 7.32 5.41 2gvyB1 LEU 14 H -0.40 0.84 0.41 -0.55 8.37 8.68 2gvyB1 LEU 14 HA -0.67 0.09 0.84 -0.75 4.35 3.85 2gvyB1 LEU 14 HB2 -0.24 -0.06 -0.00 -0.04 1.64 1.30 2gvyB1 LEU 14 HB3 -0.54 0.04 -0.21 -0.04 1.64 0.89 2gvyB1 LEU 14 HG -0.17 0.16 0.03 -0.04 1.64 1.62 2gvyB1 LEU 14 HD13 -0.01 -0.06 -0.41 -0.04 0.93 0.42 2gvyB1 LEU 14 HD23 -0.40 0.02 -0.12 -0.04 0.89 0.35 2gvyB1 LEU 15 H -0.21 0.21 0.09 -0.55 8.37 7.92 2gvyB1 LEU 15 HA -0.13 0.16 0.83 -0.75 4.35 4.46 2gvyB1 LEU 15 HB2 0.02 -0.02 0.12 -0.04 1.64 1.71 2gvyB1 LEU 15 HB3 0.07 -0.04 -0.01 -0.04 1.64 1.62 2gvyB1 LEU 15 HG 0.09 0.09 -0.01 -0.04 1.64 1.77 2gvyB1 LEU 15 HD13 0.25 0.02 -0.04 -0.04 0.93 1.12 2gvyB1 LEU 15 HD23 -0.25 0.00 -0.10 -0.04 0.89 0.51 2gvyB1 THR 16 H -0.10 0.22 0.15 -0.55 8.28 8.00 2gvyB1 THR 16 HA 0.00 0.07 0.19 -0.75 4.39 3.90 2gvyB1 THR 16 HB -0.86 0.07 0.03 -0.04 4.32 3.52 2gvyB1 THR 16 HG23 -0.65 0.04 -0.24 -0.04 1.22 0.32 2gvyB1 ASP 17 H 0.02 0.17 -0.24 -0.55 8.40 7.81 2gvyB1 ASP 17 HA 0.26 0.23 0.47 -0.75 4.63 4.83 2gvyB1 ASP 17 HB2 0.47 0.19 0.12 -0.04 2.71 3.45 2gvyB1 ASP 17 HB3 0.30 0.06 -0.05 -0.04 2.70 2.98 2gvyB1 ARG 18 H 0.14 0.51 -0.48 -0.55 8.46 8.08 2gvyB1 ARG 18 HA 0.01 0.19 0.76 -0.75 4.34 4.55 2gvyB1 ARG 18 HB2 0.01 -0.02 -0.05 -0.04 1.90 1.80 2gvyB1 ARG 18 HB3 -0.16 0.09 -0.14 -0.04 1.80 1.54 2gvyB1 ARG 18 HG2 0.12 -0.18 -0.26 -0.04 1.67 1.31 2gvyB1 ARG 18 HG3 0.02 0.22 -0.12 -0.04 1.67 1.74 2gvyB1 ARG 18 HD2 -0.22 0.07 -0.12 -0.04 3.22 2.92 2gvyB1 ARG 18 HD3 -0.05 0.04 -0.29 -0.04 3.22 2.88 2gvyB1 PHE 19 H 0.33 0.25 -0.07 -0.55 8.34 8.29 2gvyB1 PHE 19 HA 0.10 0.02 0.66 -0.75 4.62 4.65 2gvyB1 PHE 19 HB2 0.05 -0.05 -0.01 -0.04 3.15 3.10 2gvyB1 PHE 19 HB3 0.14 0.03 0.04 -0.04 3.06 3.22 2gvyB1 PHE 19 HD2 0.16 -0.05 -0.09 -0.04 7.28 7.25 2gvyB1 PHE 19 HE2 0.26 0.03 -0.10 -0.04 7.38 7.53 2gvyB1 PHE 19 HZ 0.15 0.08 -0.08 -0.04 7.32 7.43 2gvyB1 ALA 20 H 0.35 0.19 -0.02 -0.55 8.40 8.38 2gvyB1 ALA 20 HA 0.17 0.12 0.65 -0.75 4.34 4.52 2gvyB1 ALA 20 HB3 -0.10 0.04 -0.31 -0.04 1.41 1.00 2gvyB1 ARG 21 H -0.38 0.20 0.05 -0.55 8.46 7.77 2gvyB1 ARG 21 HA -0.21 0.26 0.61 -0.75 4.34 4.24 2gvyB1 ARG 21 HB2 -0.63 -0.01 0.06 -0.04 1.90 1.28 2gvyB1 ARG 21 HB3 -0.36 -0.13 0.04 -0.04 1.80 1.31 2gvyB1 ARG 21 HG2 -0.51 0.16 -0.13 -0.04 1.67 1.15 2gvyB1 ARG 21 HG3 -1.58 -0.05 -0.26 -0.04 1.67 -0.26 2gvyB1 ARG 21 HD2 -1.02 0.19 -0.07 -0.04 3.22 2.28 2gvyB1 ARG 21 HD3 -1.44 0.00 -0.05 -0.04 3.22 1.70 2gvyB1 THR 22 H -0.11 0.27 0.19 -0.55 8.28 8.09 2gvyB1 THR 22 HA -0.04 0.10 0.36 -0.75 4.39 4.06 2gvyB1 THR 22 HB -0.06 0.00 0.11 -0.04 4.32 4.33 2gvyB1 THR 22 HG23 -0.01 0.02 -0.07 -0.04 1.22 1.11 2gvyB1 ASP 23 H -0.14 0.04 -0.15 -0.55 8.40 7.60 2gvyB1 ASP 23 HA -0.07 0.19 0.43 -0.75 4.63 4.43 2gvyB1 ASP 23 HB2 -0.08 0.06 0.11 -0.04 2.71 2.77 2gvyB1 ASP 23 HB3 -0.09 0.01 0.06 -0.04 2.70 2.64 2gvyB1 GLY 24 H -0.15 0.26 -0.67 -0.55 8.43 7.32 2gvyB1 GLY 24 HA2 -0.10 0.07 0.21 -0.51 4.01 3.67 2gvyB1 GLY 24 HA3 -0.07 0.12 0.26 -0.51 4.01 3.81 2gvyB1 SER 25 H -0.24 -0.09 -0.43 -0.55 8.46 7.16 2gvyB1 SER 25 HA -0.09 0.12 0.34 -0.75 4.49 4.12 2gvyB1 SER 25 HB2 -0.16 0.09 0.01 -0.04 3.95 3.86 2gvyB1 SER 25 HB3 -0.36 -0.02 0.04 -0.04 3.93 3.55 2gvyB1 THR 26 H 0.00 0.16 0.15 -0.55 8.28 8.04 2gvyB1 THR 26 HA 0.22 0.19 0.79 -0.75 4.39 4.84 2gvyB1 THR 26 HB 0.04 0.09 0.27 -0.04 4.32 4.68 2gvyB1 THR 26 HG23 0.14 0.05 -0.06 -0.04 1.22 1.30 2gvyB1 THR 27 H 0.04 -0.14 -0.13 -0.55 8.28 7.50 2gvyB1 THR 27 HA 0.11 0.27 0.73 -0.75 4.39 4.76 2gvyB1 THR 27 HB 0.04 0.00 0.07 -0.04 4.32 4.39 2gvyB1 THR 27 HG23 0.03 0.01 -0.19 -0.04 1.22 1.03 2gvyB1 ALA 28 H 0.02 -0.09 -0.11 -0.55 8.40 7.67 2gvyB1 ALA 28 HA 0.05 0.01 0.43 -0.75 4.34 4.08 2gvyB1 ALA 28 HB3 -0.14 0.02 0.04 -0.04 1.41 1.28 2gvyB1 THR 29 H 0.09 0.04 0.17 -0.55 8.28 8.04 2gvyB1 THR 29 HA 0.08 0.06 0.24 -0.75 4.39 4.02 2gvyB1 THR 29 HB 0.05 -0.01 0.11 -0.04 4.32 4.43 2gvyB1 THR 29 HG23 0.02 -0.03 -0.05 -0.04 1.22 1.12 2gvyB1 CYS 30 H 0.01 0.19 0.03 -0.55 8.50 8.17 2gvyB1 CYS 30 HA 0.03 0.13 0.41 -0.75 4.58 4.40 2gvyB1 CYS 30 HB2 0.06 0.16 -0.05 -0.04 2.97 3.10 2gvyB1 CYS 30 HB3 -0.27 -0.09 0.18 -0.04 2.97 2.75 2gvyB1 ASN 31 H -0.03 0.21 -0.04 -0.55 8.53 8.13 2gvyB1 ASN 31 HA -0.07 0.15 0.67 -0.75 4.76 4.75 2gvyB1 ASN 31 HB2 -0.02 0.07 0.06 -0.04 2.88 2.95 2gvyB1 ASN 31 HB3 -0.02 0.01 0.16 -0.04 2.79 2.89 2gvyB1 ASN 31 HD21 -0.02 0.05 -0.03 -0.04 7.03 6.99 2gvyB1 ASN 31 HD22 -0.01 0.06 -0.01 -0.04 7.74 7.74 2gvyB1 THR 32 H -0.10 0.25 0.14 -0.55 8.28 8.02 2gvyB1 THR 32 HA -0.14 0.10 0.14 -0.75 4.39 3.73 2gvyB1 THR 32 HB -0.05 0.23 -0.17 -0.04 4.32 4.29 2gvyB1 THR 32 HG23 -0.13 0.05 -0.18 -0.04 1.22 0.92 2gvyB1 ALA 33 H -0.04 0.03 -0.36 -0.55 8.40 7.48 2gvyB1 ALA 33 HA -0.00 0.10 0.29 -0.75 4.34 3.98 2gvyB1 ALA 33 HB3 -0.01 0.01 0.01 -0.04 1.41 1.38 2gvyB1 ASP 34 H -0.03 0.26 -0.34 -0.55 8.40 7.73 2gvyB1 ASP 34 HA 0.02 0.07 0.31 -0.75 4.63 4.27 2gvyB1 ASP 34 HB2 -0.03 0.08 0.04 -0.04 2.71 2.76 2gvyB1 ASP 34 HB3 0.01 -0.02 -0.02 -0.04 2.70 2.63 2gvyB1 GLN 35 H -0.06 0.33 -0.47 -0.55 8.47 7.73 2gvyB1 GLN 35 HA -0.17 0.04 0.25 -0.75 4.36 3.73 2gvyB1 GLN 35 HB2 0.16 0.10 -0.19 -0.04 2.15 2.17 2gvyB1 GLN 35 HB3 0.30 0.00 0.21 -0.04 2.02 2.49 2gvyB1 GLN 35 HG2 0.14 -0.06 0.02 -0.04 2.40 2.46 2gvyB1 GLN 35 HG3 0.08 0.14 -0.25 -0.04 2.39 2.31 2gvyB1 GLN 35 HE21 0.09 -0.07 -0.02 -0.04 6.97 6.93 2gvyB1 GLN 35 HE22 0.16 -0.10 -0.03 -0.04 7.69 7.69 2gvyB1 LYS 36 H -0.12 0.09 -0.28 -0.55 8.42 7.56 2gvyB1 LYS 36 HA 0.01 0.05 1.01 -0.75 4.32 4.64 2gvyB1 LYS 36 HB2 0.02 -0.00 -0.09 -0.04 1.87 1.76 2gvyB1 LYS 36 HB3 0.08 0.00 0.07 -0.04 1.79 1.90 2gvyB1 LYS 36 HG2 0.08 -0.05 -0.03 -0.04 1.46 1.42 2gvyB1 LYS 36 HG3 0.04 0.27 -0.33 -0.04 1.46 1.40 2gvyB1 LYS 36 HD2 0.04 -0.04 -0.05 -0.04 1.69 1.59 2gvyB1 LYS 36 HD3 0.06 -0.01 -0.01 -0.04 1.68 1.67 2gvyB1 LYS 36 HE2 0.06 -0.02 -0.01 -0.04 2.99 2.98 2gvyB1 LYS 36 HE3 0.05 0.11 -0.01 -0.04 2.99 3.09 2gvyB1 TYR 37 H 0.15 0.11 0.13 -0.55 8.29 8.13 2gvyB1 TYR 37 HA 0.10 -0.01 0.42 -0.75 4.56 4.31 2gvyB1 TYR 37 HB2 0.03 0.04 0.14 -0.04 3.06 3.23 2gvyB1 TYR 37 HB3 0.05 -0.01 0.05 -0.04 2.98 3.03 2gvyB1 TYR 37 HD2 0.08 0.02 0.05 -0.04 7.15 7.25 2gvyB1 TYR 37 HE2 -0.07 0.09 -0.06 -0.04 6.85 6.78 2gvyB1 CYS 38 H 0.20 0.07 0.25 -0.55 8.50 8.47 2gvyB1 CYS 38 HA 0.16 0.19 0.75 -0.75 4.58 4.93 2gvyB1 CYS 38 HB2 0.23 0.04 0.08 -0.04 2.97 3.28 2gvyB1 CYS 38 HB3 0.49 0.04 0.09 -0.04 2.97 3.55 2gvyB1 GLY 39 H 0.26 -0.06 0.13 -0.55 8.43 8.22 2gvyB1 GLY 39 HA2 0.05 0.04 0.23 -0.51 4.01 3.82 2gvyB1 GLY 39 HA3 -0.00 0.15 0.52 -0.51 4.01 4.17 2gvyB1 GLY 40 H 0.32 0.36 0.10 -0.55 8.43 8.67 2gvyB1 GLY 40 HA2 0.08 -0.02 0.20 -0.51 4.01 3.77 2gvyB1 GLY 40 HA3 0.27 0.05 0.15 -0.51 4.01 3.98 2gvyB1 THR 41 H 0.05 0.55 0.40 -0.55 8.28 8.73 2gvyB1 THR 41 HA -0.14 0.21 1.03 -0.75 4.39 4.74 2gvyB1 THR 41 HB -0.04 0.16 0.15 -0.04 4.32 4.55 2gvyB1 THR 41 HG23 -0.05 0.11 -0.13 -0.04 1.22 1.12 2gvyB1 TRP 42 H -0.16 0.62 0.31 -0.55 7.97 8.20 2gvyB1 TRP 42 HA 0.05 0.07 0.38 -0.75 4.62 4.37 2gvyB1 TRP 42 HB2 0.06 -0.04 0.07 -0.04 3.23 3.28 2gvyB1 TRP 42 HB3 0.04 0.09 -0.03 -0.04 3.23 3.30 2gvyB1 TRP 42 HD1 -0.01 -0.02 -0.02 -0.04 7.22 7.13 2gvyB1 TRP 42 HE1 -0.08 0.07 -0.05 -0.04 10.20 10.10 2gvyB1 TRP 42 HE3 0.07 -0.12 -0.18 -0.04 7.59 7.32 2gvyB1 TRP 42 HZ2 0.20 0.03 0.03 -0.04 7.44 7.65 2gvyB1 TRP 42 HZ3 0.07 -0.02 -0.57 -0.04 7.13 6.57 2gvyB1 TRP 42 HH2 0.09 -0.02 -0.06 -0.04 7.19 7.17 2gvyB1 GLN 43 H 0.20 0.13 -0.05 -0.55 8.47 8.20 2gvyB1 GLN 43 HA 0.14 0.12 0.39 -0.75 4.36 4.25 2gvyB1 GLN 43 HB2 0.10 -0.03 0.11 -0.04 2.15 2.29 2gvyB1 GLN 43 HB3 0.06 -0.05 0.02 -0.04 2.02 2.00 2gvyB1 GLN 43 HG2 0.04 0.00 -0.02 -0.04 2.40 2.38 2gvyB1 GLN 43 HG3 0.04 0.07 -0.17 -0.04 2.39 2.29 2gvyB1 GLN 43 HE21 0.04 0.05 -0.02 -0.04 6.97 7.01 2gvyB1 GLN 43 HE22 0.04 0.02 -0.00 -0.04 7.69 7.70 2gvyB1 GLY 44 H 0.08 0.04 -0.42 -0.55 8.43 7.58 2gvyB1 GLY 44 HA2 0.01 0.12 0.18 -0.51 4.01 3.81 2gvyB1 GLY 44 HA3 0.04 0.21 -0.11 -0.51 4.01 3.64 2gvyB1 ILE 45 H 0.21 0.39 -0.17 -0.55 8.25 8.13 2gvyB1 ILE 45 HA 0.45 -0.02 0.24 -0.75 4.18 4.09 2gvyB1 ILE 45 HB 0.23 0.15 0.15 -0.04 1.89 2.37 2gvyB1 ILE 45 HG12 0.35 -0.08 -0.05 -0.04 1.49 1.67 2gvyB1 ILE 45 HG13 0.28 0.16 0.06 -0.04 1.21 1.67 2gvyB1 ILE 45 HG23 0.11 0.00 -0.20 -0.04 0.93 0.80 2gvyB1 ILE 45 HD13 0.25 -0.03 -0.06 -0.04 0.88 0.99 2gvyB1 ILE 46 H 0.15 0.47 -0.09 -0.55 8.25 8.23 2gvyB1 ILE 46 HA 0.08 0.03 0.35 -0.75 4.18 3.88 2gvyB1 ILE 46 HB 0.08 0.11 0.13 -0.04 1.89 2.16 2gvyB1 ILE 46 HG12 0.06 0.05 0.02 -0.04 1.49 1.57 2gvyB1 ILE 46 HG13 0.11 0.05 0.07 -0.04 1.21 1.40 2gvyB1 ILE 46 HG23 0.04 -0.01 -0.16 -0.04 0.93 0.76 2gvyB1 ILE 46 HD13 0.08 -0.04 -0.20 -0.04 0.88 0.67 2gvyB1 ASP 47 H 0.06 0.45 -0.38 -0.55 8.40 7.98 2gvyB1 ASP 47 HA 0.02 0.04 0.42 -0.75 4.63 4.36 2gvyB1 ASP 47 HB2 -0.01 0.12 0.12 -0.04 2.71 2.90 2gvyB1 ASP 47 HB3 -0.03 -0.05 0.08 -0.04 2.70 2.66 2gvyB1 LYS 48 H 0.08 0.57 -0.38 -0.55 8.42 8.14 2gvyB1 LYS 48 HA -0.06 0.15 0.87 -0.75 4.32 4.52 2gvyB1 LYS 48 HB2 0.16 0.09 0.02 -0.04 1.87 2.11 2gvyB1 LYS 48 HB3 -0.04 -0.12 0.14 -0.04 1.79 1.72 2gvyB1 LYS 48 HG2 -0.31 0.04 -0.25 -0.04 1.46 0.90 2gvyB1 LYS 48 HG3 -0.66 -0.06 -0.09 -0.04 1.46 0.61 2gvyB1 LYS 48 HD2 -1.82 0.01 -0.06 -0.04 1.69 -0.22 2gvyB1 LYS 48 HD3 -1.46 -0.06 -0.00 -0.04 1.68 0.11 2gvyB1 LYS 48 HE2 -0.23 -0.08 0.10 -0.04 2.99 2.74 2gvyB1 LYS 48 HE3 -0.30 0.07 -0.02 -0.04 2.99 2.70 2gvyB1 LEU 49 H 0.07 0.47 -0.18 -0.55 8.37 8.18 2gvyB1 LEU 49 HA 0.09 0.01 0.49 -0.75 4.35 4.19 2gvyB1 LEU 49 HB2 0.05 0.11 0.10 -0.04 1.64 1.86 2gvyB1 LEU 49 HB3 0.04 0.02 0.01 -0.04 1.64 1.68 2gvyB1 LEU 49 HG 0.08 0.12 -0.01 -0.04 1.64 1.78 2gvyB1 LEU 49 HD13 0.04 0.02 -0.12 -0.04 0.93 0.84 2gvyB1 LEU 49 HD23 0.05 -0.02 -0.10 -0.04 0.89 0.78 2gvyB1 ASP 50 H 0.05 0.17 -0.22 -0.55 8.40 7.85 2gvyB1 ASP 50 HA 0.04 0.11 0.34 -0.75 4.63 4.36 2gvyB1 ASP 50 HB2 0.04 -0.02 0.03 -0.04 2.71 2.72 2gvyB1 ASP 50 HB3 0.05 0.03 -0.09 -0.04 2.70 2.65 2gvyB1 TYR 51 H 0.17 0.14 -0.32 -0.55 8.29 7.73 2gvyB1 TYR 51 HA 0.13 0.07 0.45 -0.75 4.56 4.45 2gvyB1 TYR 51 HB2 -0.03 -0.00 0.08 -0.04 3.06 3.07 2gvyB1 TYR 51 HB3 0.02 0.21 0.14 -0.04 2.98 3.31 2gvyB1 TYR 51 HD2 0.16 0.06 -0.13 -0.04 7.15 7.20 2gvyB1 TYR 51 HE2 0.30 -0.02 -0.26 -0.04 6.85 6.83 2gvyB1 ILE 52 H 0.18 0.37 -0.09 -0.55 8.25 8.17 2gvyB1 ILE 52 HA -0.34 -0.01 0.51 -0.75 4.18 3.59 2gvyB1 ILE 52 HB -0.03 0.11 0.11 -0.04 1.89 2.04 2gvyB1 ILE 52 HG12 -0.93 -0.09 -0.02 -0.04 1.49 0.41 2gvyB1 ILE 52 HG13 0.15 0.01 0.01 -0.04 1.21 1.35 2gvyB1 ILE 52 HG23 -0.17 0.00 -0.16 -0.04 0.93 0.56 2gvyB1 ILE 52 HD13 -0.20 -0.01 -0.10 -0.04 0.88 0.53 2gvyB1 GLN 53 H 0.02 0.71 -0.02 -0.55 8.47 8.63 2gvyB1 GLN 53 HA 0.01 0.15 0.39 -0.75 4.36 4.15 2gvyB1 GLN 53 HB2 0.02 0.01 0.07 -0.04 2.15 2.21 2gvyB1 GLN 53 HB3 0.01 -0.03 0.03 -0.04 2.02 1.99 2gvyB1 GLN 53 HG2 -0.02 -0.05 -0.05 -0.04 2.40 2.25 2gvyB1 GLN 53 HG3 -0.01 0.14 0.08 -0.04 2.39 2.56 2gvyB1 GLN 53 HE21 -0.01 0.24 0.08 -0.04 6.97 7.23 2gvyB1 GLN 53 HE22 -0.03 0.02 0.01 -0.04 7.69 7.66 2gvyB1 GLY 54 H 0.02 0.48 -0.35 -0.55 8.43 8.03 2gvyB1 GLY 54 HA2 0.01 0.02 0.44 -0.51 4.01 3.97 2gvyB1 GLY 54 HA3 0.11 0.02 0.32 -0.51 4.01 3.95 2gvyB1 MET 55 H -0.21 0.36 -0.45 -0.55 8.47 7.63 2gvyB1 MET 55 HA -0.43 0.14 0.84 -0.75 4.52 4.31 2gvyB1 MET 55 HB2 -0.27 0.14 0.12 -0.04 2.15 2.10 2gvyB1 MET 55 HB3 -0.48 -0.07 0.02 -0.04 2.03 1.45 2gvyB1 MET 55 HG2 -0.96 0.13 0.13 -0.04 2.63 1.89 2gvyB1 MET 55 HG3 -2.35 0.03 -0.02 -0.04 2.56 0.17 2gvyB1 MET 55 HE3 -0.41 0.04 -0.03 -0.04 2.10 1.66 2gvyB1 GLY 56 H -0.17 0.58 -0.27 -0.55 8.43 8.02 2gvyB1 GLY 56 HA2 -0.15 0.08 0.26 -0.51 4.01 3.69 2gvyB1 GLY 56 HA3 -0.26 0.04 0.40 -0.51 4.01 3.69 2gvyB1 PHE 57 H -0.15 0.08 -0.15 -0.55 8.34 7.56 2gvyB1 PHE 57 HA -0.01 0.09 0.51 -0.75 4.62 4.46 2gvyB1 PHE 57 HB2 -0.07 -0.01 -0.06 -0.04 3.15 2.96 2gvyB1 PHE 57 HB3 0.05 0.04 0.05 -0.04 3.06 3.16 2gvyB1 PHE 57 HD2 -0.07 0.11 -0.32 -0.04 7.28 6.96 2gvyB1 PHE 57 HE2 -0.00 -0.04 -0.15 -0.04 7.38 7.14 2gvyB1 PHE 57 HZ 0.08 -0.12 -0.09 -0.04 7.32 7.14 2gvyB1 THR 58 H 0.18 0.46 0.39 -0.55 8.28 8.76 2gvyB1 THR 58 HA -0.03 0.23 0.82 -0.75 4.39 4.65 2gvyB1 THR 58 HB -0.20 0.09 0.19 -0.04 4.32 4.35 2gvyB1 THR 58 HG23 -0.08 0.06 -0.02 -0.04 1.22 1.14 2gvyB1 ALA 59 H 0.20 0.27 0.18 -0.55 8.40 8.50 2gvyB1 ALA 59 HA 0.16 0.19 0.86 -0.75 4.34 4.80 2gvyB1 ALA 59 HB3 0.32 0.02 -0.25 -0.04 1.41 1.47 2gvyB1 ILE 60 H 0.26 0.56 0.32 -0.55 8.25 8.84 2gvyB1 ILE 60 HA 0.20 0.21 0.91 -0.75 4.18 4.74 2gvyB1 ILE 60 HB 0.10 0.02 0.10 -0.04 1.89 2.06 2gvyB1 ILE 60 HG12 0.13 0.10 0.06 -0.04 1.49 1.73 2gvyB1 ILE 60 HG13 0.17 -0.06 -0.06 -0.04 1.21 1.21 2gvyB1 ILE 60 HG23 0.07 -0.01 -0.12 -0.04 0.93 0.83 2gvyB1 ILE 60 HD13 0.07 -0.02 -0.10 -0.04 0.88 0.79 2gvyB1 TRP 61 H 0.29 0.44 0.12 -0.55 7.97 8.27 2gvyB1 TRP 61 HA 0.11 0.38 0.75 -0.75 4.62 5.10 2gvyB1 TRP 61 HB2 0.04 0.06 -0.11 -0.04 3.23 3.19 2gvyB1 TRP 61 HB3 0.11 -0.05 -0.08 -0.04 3.23 3.17 2gvyB1 TRP 61 HD1 0.09 0.27 -0.36 -0.04 7.22 7.18 2gvyB1 TRP 61 HE1 -0.04 -0.05 -0.20 -0.04 10.20 9.87 2gvyB1 TRP 61 HE3 -0.18 0.08 -0.18 -0.04 7.59 7.27 2gvyB1 TRP 61 HZ2 -0.55 -0.06 -0.14 -0.04 7.44 6.66 2gvyB1 TRP 61 HZ3 -0.48 0.05 -0.16 -0.04 7.13 6.49 2gvyB1 TRP 61 HH2 -0.67 -0.06 -0.14 -0.04 7.19 6.28 2gvyB1 ILE 62 H 0.38 0.56 0.28 -0.55 8.25 8.92 2gvyB1 ILE 62 HA 0.09 0.28 1.12 -0.75 4.18 4.92 2gvyB1 ILE 62 HB 0.16 -0.11 0.11 -0.04 1.89 2.00 2gvyB1 ILE 62 HG12 0.18 0.15 0.15 -0.04 1.49 1.93 2gvyB1 ILE 62 HG13 0.20 0.14 -0.13 -0.04 1.21 1.37 2gvyB1 ILE 62 HG23 0.13 -0.00 -0.15 -0.04 0.93 0.87 2gvyB1 ILE 62 HD13 0.10 -0.02 -0.04 -0.04 0.88 0.88 2gvyB1 THR 63 H 0.06 -0.05 0.29 -0.55 8.28 8.03 2gvyB1 THR 63 HA 0.24 0.06 0.41 -0.75 4.39 4.34 2gvyB1 THR 63 HB -0.12 0.32 0.21 -0.04 4.32 4.70 2gvyB1 THR 63 HG23 0.11 0.02 0.09 -0.04 1.22 1.39 2gvyB1 PRO 64 HA 0.15 0.30 0.48 -0.51 4.44 4.86 2gvyB1 PRO 64 HB2 0.01 0.18 0.11 -0.04 2.28 2.53 2gvyB1 PRO 64 HB3 0.10 -0.04 0.14 -0.04 2.02 2.18 2gvyB1 PRO 64 HG2 -0.54 -0.00 -0.22 -0.04 2.03 1.23 2gvyB1 PRO 64 HG3 -0.03 -0.01 -0.16 -0.04 2.03 1.79 2gvyB1 PRO 64 HD2 -0.52 0.28 0.25 -0.04 3.68 3.65 2gvyB1 PRO 64 HD3 -0.21 0.04 0.21 -0.04 3.65 3.64 2gvyB1 VAL 65 H 0.25 0.15 0.25 -0.55 8.24 8.34 2gvyB1 VAL 65 HA 0.58 0.15 0.67 -0.75 4.13 4.77 2gvyB1 VAL 65 HB 0.33 -0.08 0.11 -0.04 2.12 2.43 2gvyB1 VAL 65 HG13 0.17 0.02 -0.05 -0.04 0.97 1.08 2gvyB1 VAL 65 HG23 0.10 0.02 -0.06 -0.04 0.95 0.97 2gvyB1 THR 66 H 0.27 0.01 0.05 -0.55 8.28 8.05 2gvyB1 THR 66 HA 0.27 0.28 0.54 -0.75 4.39 4.73 2gvyB1 THR 66 HB 0.19 0.05 0.01 -0.04 4.32 4.53 2gvyB1 THR 66 HG23 0.38 0.03 0.12 -0.04 1.22 1.71 2gvyB1 ALA 67 H 0.18 0.57 0.17 -0.55 8.40 8.78 2gvyB1 ALA 67 HA 0.10 -0.02 0.27 -0.75 4.34 3.93 2gvyB1 ALA 67 HB3 0.11 0.03 -0.01 -0.04 1.41 1.50 2gvyB1 GLN 68 H 0.10 0.12 0.16 -0.55 8.47 8.31 2gvyB1 GLN 68 HA 0.20 0.08 0.42 -0.75 4.36 4.31 2gvyB1 GLN 68 HB2 0.15 0.00 0.00 -0.04 2.15 2.27 2gvyB1 GLN 68 HB3 0.21 -0.00 0.07 -0.04 2.02 2.25 2gvyB1 GLN 68 HG2 0.12 0.12 -0.08 -0.04 2.40 2.51 2gvyB1 GLN 68 HG3 0.09 0.05 -0.02 -0.04 2.39 2.47 2gvyB1 GLN 68 HE21 0.16 0.12 -0.36 -0.04 6.97 6.85 2gvyB1 GLN 68 HE22 0.16 0.31 -0.49 -0.04 7.69 7.63 2gvyB1 LEU 69 H 0.26 0.53 0.19 -0.55 8.37 8.81 2gvyB1 LEU 69 HA 0.09 0.12 0.61 -0.75 4.35 4.42 2gvyB1 LEU 69 HB2 -0.01 -0.09 0.11 -0.04 1.64 1.61 2gvyB1 LEU 69 HB3 0.11 0.17 -0.00 -0.04 1.64 1.88 2gvyB1 LEU 69 HG 0.40 -0.03 0.05 -0.04 1.64 2.02 2gvyB1 LEU 69 HD13 0.18 -0.02 -0.21 -0.04 0.93 0.84 2gvyB1 LEU 69 HD23 -0.09 -0.03 -0.25 -0.04 0.89 0.48 2gvyB1 PRO 70 HA 0.09 0.10 0.61 -0.51 4.44 4.73 2gvyB1 PRO 70 HB2 0.02 0.00 -0.00 -0.04 2.28 2.26 2gvyB1 PRO 70 HB3 0.03 0.04 0.11 -0.04 2.02 2.15 2gvyB1 PRO 70 HG2 -0.02 -0.00 0.08 -0.04 2.03 2.05 2gvyB1 PRO 70 HG3 -0.01 0.07 0.09 -0.04 2.03 2.15 2gvyB1 PRO 70 HD2 -0.03 0.03 0.26 -0.04 3.68 3.89 2gvyB1 PRO 70 HD3 0.03 0.22 0.26 -0.04 3.65 4.12 2gvyB1 GLN 71 H 0.02 0.03 -0.09 -0.55 8.47 7.89 2gvyB1 GLN 71 HA 0.04 0.06 0.23 -0.75 4.36 3.93 2gvyB1 GLN 71 HB2 -0.02 -0.07 -0.03 -0.04 2.15 1.98 2gvyB1 GLN 71 HB3 -0.00 0.12 -0.22 -0.04 2.02 1.88 2gvyB1 GLN 71 HG2 -0.07 0.05 0.00 -0.04 2.40 2.34 2gvyB1 GLN 71 HG3 -0.03 0.02 -0.01 -0.04 2.39 2.33 2gvyB1 GLN 71 HE21 -0.18 0.03 0.06 -0.04 6.97 6.84 2gvyB1 GLN 71 HE22 -0.10 0.03 0.03 -0.04 7.69 7.62 2gvyB1 THR 72 H 0.06 0.14 0.11 -0.55 8.28 8.05 2gvyB1 THR 72 HA 0.14 0.09 0.53 -0.75 4.39 4.40 2gvyB1 THR 72 HB 0.06 -0.03 0.18 -0.04 4.32 4.50 2gvyB1 THR 72 HG23 0.10 0.04 -0.10 -0.04 1.22 1.22 2gvyB1 THR 73 H 0.19 0.63 -0.09 -0.55 8.28 8.47 2gvyB1 THR 73 HA -0.01 0.08 0.38 -0.75 4.39 4.09 2gvyB1 THR 73 HB -0.12 -0.03 0.10 -0.04 4.32 4.23 2gvyB1 THR 73 HG23 -0.06 0.04 -0.06 -0.04 1.22 1.10 2gvyB1 ALA 74 H -0.11 0.16 0.11 -0.55 8.40 8.01 2gvyB1 ALA 74 HA 0.01 0.17 0.59 -0.75 4.34 4.36 2gvyB1 ALA 74 HB3 -0.15 0.00 0.10 -0.04 1.41 1.33 2gvyB1 TYR 75 H 0.07 -0.01 -0.41 -0.55 8.29 7.39 2gvyB1 TYR 75 HA 0.15 0.24 0.80 -0.75 4.56 5.00 2gvyB1 TYR 75 HB2 0.35 -0.02 -0.09 -0.04 3.06 3.26 2gvyB1 TYR 75 HB3 0.36 0.03 0.10 -0.04 2.98 3.44 2gvyB1 TYR 75 HD2 0.09 0.12 -0.12 -0.04 7.15 7.20 2gvyB1 TYR 75 HE2 0.03 -0.02 -0.05 -0.04 6.85 6.76 2gvyB1 GLY 76 H 0.23 0.42 -0.46 -0.55 8.43 8.08 2gvyB1 GLY 76 HA2 0.18 0.04 0.26 -0.51 4.01 3.98 2gvyB1 GLY 76 HA3 0.26 0.29 0.56 -0.51 4.01 4.60 2gvyB1 ASP 77 H 0.16 0.62 0.44 -0.55 8.40 9.08 2gvyB1 ASP 77 HA 0.18 0.25 0.61 -0.75 4.63 4.92 2gvyB1 ASP 77 HB2 -0.15 -0.07 0.14 -0.04 2.71 2.58 2gvyB1 ASP 77 HB3 -0.30 -0.02 0.09 -0.04 2.70 2.42 2gvyB1 ALA 78 H 0.02 0.30 0.08 -0.55 8.40 8.25 2gvyB1 ALA 78 HA -1.03 0.12 0.53 -0.75 4.34 3.21 2gvyB1 ALA 78 HB3 0.14 0.02 0.11 -0.04 1.41 1.63 2gvyB1 TYR 79 H -0.60 0.54 -0.73 -0.55 8.29 6.95 2gvyB1 TYR 79 HA -0.84 0.04 0.12 -0.75 4.56 3.13 2gvyB1 TYR 79 HB2 -0.21 -0.08 -0.07 -0.04 3.06 2.66 2gvyB1 TYR 79 HB3 -0.65 -0.05 -0.28 -0.04 2.98 1.95 2gvyB1 TYR 79 HD2 -0.12 0.01 -0.28 -0.04 7.15 6.72 2gvyB1 TYR 79 HE2 0.03 0.07 -0.05 -0.04 6.85 6.86 2gvyB1 HIS 80 H -1.71 0.11 -0.40 -0.55 8.41 5.87 2gvyB1 HIS 80 HA -0.16 0.08 0.52 -0.75 4.63 4.31 2gvyB1 HIS 80 HB2 0.01 0.02 0.01 -0.04 3.26 3.27 2gvyB1 HIS 80 HB3 -0.62 0.05 -0.00 -0.04 3.20 2.59 2gvyB1 HIS 80 HD2 -1.15 0.10 -0.03 -0.04 6.97 5.85 2gvyB1 HIS 80 HE1 -2.34 0.02 -0.20 -0.04 7.75 5.19 2gvyB1 GLY 81 H -0.48 0.35 -0.29 -0.55 8.43 7.47 2gvyB1 GLY 81 HA2 -0.00 0.10 0.21 -0.51 4.01 3.81 2gvyB1 GLY 81 HA3 -0.11 0.21 0.41 -0.51 4.01 4.01 2gvyB1 TYR 82 H 0.33 0.03 -0.31 -0.55 8.29 7.79 2gvyB1 TYR 82 HA 0.18 0.22 0.57 -0.75 4.56 4.77 2gvyB1 TYR 82 HB2 -0.11 -0.02 -0.07 -0.04 3.06 2.82 2gvyB1 TYR 82 HB3 0.24 0.02 0.07 -0.04 2.98 3.27 2gvyB1 TYR 82 HD2 -0.01 -0.04 -0.12 -0.04 7.15 6.94 2gvyB1 TYR 82 HE2 0.21 -0.02 -0.06 -0.04 6.85 6.94 2gvyB1 TRP 83 H 0.25 0.06 -0.46 -0.55 7.97 7.28 2gvyB1 TRP 83 HA 0.26 0.32 0.72 -0.75 4.62 5.16 2gvyB1 TRP 83 HB2 0.13 -0.06 0.09 -0.04 3.23 3.35 2gvyB1 TRP 83 HB3 0.17 -0.03 0.07 -0.04 3.23 3.40 2gvyB1 TRP 83 HD1 0.28 0.34 -0.45 -0.04 7.22 7.35 2gvyB1 TRP 83 HE1 0.08 0.02 -0.15 -0.04 10.20 10.10 2gvyB1 TRP 83 HE3 0.08 -0.04 -0.12 -0.04 7.59 7.46 2gvyB1 TRP 83 HZ2 0.17 0.00 -0.11 -0.04 7.44 7.47 2gvyB1 TRP 83 HZ3 0.12 0.19 -0.37 -0.04 7.13 7.03 2gvyB1 TRP 83 HH2 0.29 0.10 -0.25 -0.04 7.19 7.29 2gvyB1 GLN 84 H 0.28 0.26 -0.23 -0.55 8.47 8.23 2gvyB1 GLN 84 HA 0.21 0.10 0.20 -0.75 4.36 4.12 2gvyB1 GLN 84 HB2 0.16 0.05 -0.10 -0.04 2.15 2.22 2gvyB1 GLN 84 HB3 0.17 0.02 -0.06 -0.04 2.02 2.10 2gvyB1 GLN 84 HG2 0.14 0.02 0.05 -0.04 2.40 2.57 2gvyB1 GLN 84 HG3 0.14 -0.03 -0.27 -0.04 2.39 2.19 2gvyB1 GLN 84 HE21 -0.01 0.41 0.07 -0.04 6.97 7.40 2gvyB1 GLN 84 HE22 0.09 0.27 -0.04 -0.04 7.69 7.97 2gvyB1 GLN 85 H 0.19 0.49 0.32 -0.55 8.47 8.92 2gvyB1 GLN 85 HA 0.38 0.18 0.90 -0.75 4.36 5.07 2gvyB1 GLN 85 HB2 0.19 0.01 -0.13 -0.04 2.15 2.18 2gvyB1 GLN 85 HB3 0.29 0.11 -0.01 -0.04 2.02 2.38 2gvyB1 GLN 85 HG2 0.50 0.21 -0.01 -0.04 2.40 3.06 2gvyB1 GLN 85 HG3 0.25 -0.13 -0.37 -0.04 2.39 2.11 2gvyB1 GLN 85 HE21 -0.16 -0.14 0.08 -0.04 6.97 6.71 2gvyB1 GLN 85 HE22 0.25 0.58 0.22 -0.04 7.69 8.70 2gvyB1 ASP 86 H 0.16 0.28 0.10 -0.55 8.40 8.39 2gvyB1 ASP 86 HA 0.11 0.28 1.15 -0.75 4.63 5.42 2gvyB1 ASP 86 HB2 0.12 0.11 -0.04 -0.04 2.71 2.86 2gvyB1 ASP 86 HB3 0.13 -0.04 0.18 -0.04 2.70 2.92 2gvyB1 ILE 87 H -0.04 0.61 0.25 -0.55 8.25 8.52 2gvyB1 ILE 87 HA 0.09 0.04 0.39 -0.75 4.18 3.94 2gvyB1 ILE 87 HB -0.76 0.02 0.14 -0.04 1.89 1.25 2gvyB1 ILE 87 HG12 -0.41 0.20 0.29 -0.04 1.49 1.53 2gvyB1 ILE 87 HG13 -0.81 0.00 -0.20 -0.04 1.21 0.16 2gvyB1 ILE 87 HG23 -0.12 0.01 -0.03 -0.04 0.93 0.76 2gvyB1 ILE 87 HD13 -1.18 -0.01 -0.00 -0.04 0.88 -0.35 2gvyB1 TYR 88 H 0.18 0.03 -0.31 -0.55 8.29 7.65 2gvyB1 TYR 88 HA 0.32 0.30 1.05 -0.75 4.56 5.49 2gvyB1 TYR 88 HB2 0.08 -0.05 0.00 -0.04 3.06 3.05 2gvyB1 TYR 88 HB3 0.12 0.00 0.16 -0.04 2.98 3.22 2gvyB1 TYR 88 HD2 0.07 -0.02 -0.04 -0.04 7.15 7.12 2gvyB1 TYR 88 HE2 0.02 0.01 -0.02 -0.04 6.85 6.82 2gvyB1 SER 89 H 0.21 0.35 -0.13 -0.55 8.46 8.35 2gvyB1 SER 89 HA 0.20 0.14 0.58 -0.75 4.49 4.65 2gvyB1 SER 89 HB2 0.14 -0.01 0.09 -0.04 3.95 4.13 2gvyB1 SER 89 HB3 0.13 0.00 0.18 -0.04 3.93 4.20 2gvyB1 LEU 90 H 0.19 0.07 0.11 -0.55 8.37 8.20 2gvyB1 LEU 90 HA 0.26 0.37 0.85 -0.75 4.35 5.08 2gvyB1 LEU 90 HB2 0.28 -0.09 -0.02 -0.04 1.64 1.76 2gvyB1 LEU 90 HB3 0.54 0.07 0.00 -0.04 1.64 2.21 2gvyB1 LEU 90 HG 0.24 -0.05 -0.12 -0.04 1.64 1.66 2gvyB1 LEU 90 HD13 0.14 -0.02 -0.13 -0.04 0.93 0.88 2gvyB1 LEU 90 HD23 0.04 0.04 -0.11 -0.04 0.89 0.81 2gvyB1 ASN 91 H 0.26 0.59 0.07 -0.55 8.53 8.90 2gvyB1 ASN 91 HA -0.04 0.00 0.64 -0.75 4.76 4.61 2gvyB1 ASN 91 HB2 0.04 0.33 -0.11 -0.04 2.88 3.11 2gvyB1 ASN 91 HB3 -0.38 -0.04 0.14 -0.04 2.79 2.47 2gvyB1 ASN 91 HD21 0.07 -0.04 -0.05 -0.04 7.03 6.97 2gvyB1 ASN 91 HD22 -0.01 0.15 -0.03 -0.04 7.74 7.81 2gvyB1 GLU 92 H -0.10 0.22 0.19 -0.55 8.60 8.37 2gvyB1 GLU 92 HA -0.06 0.20 0.29 -0.75 4.29 3.97 2gvyB1 GLU 92 HB2 -0.14 -0.02 0.01 -0.04 2.09 1.90 2gvyB1 GLU 92 HB3 -0.07 0.01 0.06 -0.04 1.99 1.94 2gvyB1 GLU 92 HG2 0.01 0.03 0.09 -0.04 2.34 2.42 2gvyB1 GLU 92 HG3 -0.03 0.01 0.18 -0.04 2.34 2.47 2gvyB1 ASN 93 H -0.47 0.02 -0.45 -0.55 8.53 7.08 2gvyB1 ASN 93 HA -0.34 0.08 0.49 -0.75 4.76 4.22 2gvyB1 ASN 93 HB2 -0.93 0.00 0.00 -0.04 2.88 1.91 2gvyB1 ASN 93 HB3 -0.58 0.01 -0.02 -0.04 2.79 2.16 2gvyB1 ASN 93 HD21 -0.64 0.05 -0.01 -0.04 7.03 6.40 2gvyB1 ASN 93 HD22 -0.62 -0.03 -0.01 -0.04 7.74 7.04 2gvyB1 TYR 94 H -0.78 0.45 -0.17 -0.55 8.29 7.24 2gvyB1 TYR 94 HA -0.47 0.27 0.71 -0.75 4.56 4.32 2gvyB1 TYR 94 HB2 -2.44 0.11 -0.02 -0.04 3.06 0.67 2gvyB1 TYR 94 HB3 -1.98 -0.18 0.13 -0.04 2.98 0.90 2gvyB1 TYR 94 HD2 -0.26 0.18 -0.09 -0.04 7.15 6.94 2gvyB1 TYR 94 HE2 0.11 0.09 -0.02 -0.04 6.85 6.99 2gvyB1 GLY 95 H -0.26 0.35 -0.27 -0.55 8.43 7.71 2gvyB1 GLY 95 HA2 0.02 0.06 0.23 -0.51 4.01 3.81 2gvyB1 GLY 95 HA3 0.16 0.04 0.95 -0.51 4.01 4.65 2gvyB1 THR 96 H 0.28 0.05 0.19 -0.55 8.28 8.26 2gvyB1 THR 96 HA 0.22 0.29 0.82 -0.75 4.39 4.96 2gvyB1 THR 96 HB 0.13 0.03 0.18 -0.04 4.32 4.62 2gvyB1 THR 96 HG23 0.09 0.05 -0.02 -0.04 1.22 1.30 2gvyB1 ALA 97 H 0.19 0.22 0.17 -0.55 8.40 8.44 2gvyB1 ALA 97 HA 0.19 0.14 0.51 -0.75 4.34 4.43 2gvyB1 ALA 97 HB3 0.21 0.05 0.11 -0.04 1.41 1.75 2gvyB1 ASP 98 H 0.13 0.07 -0.09 -0.55 8.40 7.96 2gvyB1 ASP 98 HA 0.08 0.19 0.46 -0.75 4.63 4.60 2gvyB1 ASP 98 HB2 0.09 -0.07 0.05 -0.04 2.71 2.74 2gvyB1 ASP 98 HB3 0.06 0.08 0.00 -0.04 2.70 2.81 2gvyB1 ASP 99 H 0.17 -0.01 -0.32 -0.55 8.40 7.70 2gvyB1 ASP 99 HA 0.13 0.12 0.48 -0.75 4.63 4.61 2gvyB1 ASP 99 HB2 0.47 0.17 0.19 -0.04 2.71 3.49 2gvyB1 ASP 99 HB3 0.39 -0.02 0.03 -0.04 2.70 3.06 2gvyB1 LEU 100 H -0.02 0.39 -0.14 -0.55 8.37 8.05 2gvyB1 LEU 100 HA -0.66 0.01 0.45 -0.75 4.35 3.40 2gvyB1 LEU 100 HB2 -0.97 -0.01 0.11 -0.04 1.64 0.73 2gvyB1 LEU 100 HB3 -0.51 0.14 0.04 -0.04 1.64 1.26 2gvyB1 LEU 100 HG -2.48 -0.06 -0.01 -0.04 1.64 -0.94 2gvyB1 LEU 100 HD13 -1.27 0.02 -0.05 -0.04 0.93 -0.41 2gvyB1 LEU 100 HD23 -0.84 0.00 0.03 -0.04 0.89 0.04 2gvyB1 LYS 101 H 0.05 0.50 -0.06 -0.55 8.42 8.36 2gvyB1 LYS 101 HA 0.05 0.18 0.55 -0.75 4.32 4.35 2gvyB1 LYS 101 HB2 0.05 -0.03 0.14 -0.04 1.87 1.99 2gvyB1 LYS 101 HB3 0.03 0.02 0.07 -0.04 1.79 1.87 2gvyB1 LYS 101 HG2 0.09 0.15 0.11 -0.04 1.46 1.78 2gvyB1 LYS 101 HG3 0.19 0.20 0.14 -0.04 1.46 1.95 2gvyB1 LYS 101 HD2 0.03 -0.15 -0.03 -0.04 1.69 1.50 2gvyB1 LYS 101 HD3 -0.03 0.06 0.04 -0.04 1.68 1.72 2gvyB1 LYS 101 HE2 -0.31 0.21 0.00 -0.04 2.99 2.86 2gvyB1 LYS 101 HE3 0.00 -0.19 -0.09 -0.04 2.99 2.67 2gvyB1 ALA 102 H 0.03 0.37 -0.35 -0.55 8.40 7.90 2gvyB1 ALA 102 HA 0.02 0.05 0.41 -0.75 4.34 4.06 2gvyB1 ALA 102 HB3 0.05 -0.01 0.11 -0.04 1.41 1.53 2gvyB1 LEU 103 H -0.02 0.42 -0.26 -0.55 8.37 7.96 2gvyB1 LEU 103 HA 0.02 -0.01 0.49 -0.75 4.35 4.10 2gvyB1 LEU 103 HB2 0.06 -0.06 0.11 -0.04 1.64 1.70 2gvyB1 LEU 103 HB3 -0.14 0.17 0.22 -0.04 1.64 1.86 2gvyB1 LEU 103 HG -0.03 0.07 -0.23 -0.04 1.64 1.42 2gvyB1 LEU 103 HD13 0.07 -0.02 -0.02 -0.04 0.93 0.93 2gvyB1 LEU 103 HD23 0.05 -0.03 0.01 -0.04 0.89 0.87 2gvyB1 SER 104 H -0.09 0.50 -0.08 -0.55 8.46 8.24 2gvyB1 SER 104 HA -0.22 -0.03 0.37 -0.75 4.49 3.86 2gvyB1 SER 104 HB2 -0.06 0.01 0.19 -0.04 3.95 4.05 2gvyB1 SER 104 HB3 -0.05 0.05 0.20 -0.04 3.93 4.09 2gvyB1 SER 105 H -0.05 0.53 -0.19 -0.55 8.46 8.19 2gvyB1 SER 105 HA 0.00 0.05 0.43 -0.75 4.49 4.22 2gvyB1 SER 105 HB2 0.01 0.02 0.06 -0.04 3.95 4.00 2gvyB1 SER 105 HB3 0.03 -0.07 0.04 -0.04 3.93 3.89 2gvyB1 ALA 106 H -0.02 0.57 -0.10 -0.55 8.40 8.30 2gvyB1 ALA 106 HA 0.01 -0.01 0.45 -0.75 4.34 4.04 2gvyB1 ALA 106 HB3 0.02 0.00 0.11 -0.04 1.41 1.50 2gvyB1 LEU 107 H -0.07 0.52 -0.23 -0.55 8.37 8.04 2gvyB1 LEU 107 HA 0.02 0.00 0.52 -0.75 4.35 4.14 2gvyB1 LEU 107 HB2 -0.17 0.17 0.06 -0.04 1.64 1.66 2gvyB1 LEU 107 HB3 0.03 0.02 -0.35 -0.04 1.64 1.30 2gvyB1 LEU 107 HG 0.01 -0.03 -0.06 -0.04 1.64 1.52 2gvyB1 LEU 107 HD13 0.02 -0.02 -0.20 -0.04 0.93 0.70 2gvyB1 LEU 107 HD23 0.06 -0.01 -0.14 -0.04 0.89 0.77 2gvyB1 HIS 108 H -0.17 0.54 -0.04 -0.55 8.41 8.19 2gvyB1 HIS 108 HA 0.04 0.11 0.43 -0.75 4.63 4.46 2gvyB1 HIS 108 HB2 0.03 0.02 0.23 -0.04 3.26 3.50 2gvyB1 HIS 108 HB3 0.03 -0.08 0.10 -0.04 3.20 3.20 2gvyB1 HIS 108 HD2 0.11 0.35 0.08 -0.04 6.97 7.47 2gvyB1 HIS 108 HE1 0.03 0.27 0.16 -0.04 7.75 8.16 2gvyB1 GLU 109 H 0.07 0.68 -0.10 -0.55 8.60 8.71 2gvyB1 GLU 109 HA 0.05 -0.02 0.43 -0.75 4.29 4.00 2gvyB1 GLU 109 HB2 0.04 -0.03 0.11 -0.04 2.09 2.17 2gvyB1 GLU 109 HB3 0.03 0.11 0.11 -0.04 1.99 2.20 2gvyB1 GLU 109 HG2 0.02 0.01 -0.07 -0.04 2.34 2.26 2gvyB1 GLU 109 HG3 0.02 -0.03 0.11 -0.04 2.34 2.40 2gvyB1 ARG 110 H 0.04 0.41 -0.54 -0.55 8.46 7.81 2gvyB1 ARG 110 HA 0.01 0.15 0.99 -0.75 4.34 4.73 2gvyB1 ARG 110 HB2 0.02 0.06 0.09 -0.04 1.90 2.02 2gvyB1 ARG 110 HB3 0.00 -0.05 0.15 -0.04 1.80 1.87 2gvyB1 ARG 110 HG2 0.01 -0.08 -0.01 -0.04 1.67 1.55 2gvyB1 ARG 110 HG3 0.02 -0.01 -0.12 -0.04 1.67 1.52 2gvyB1 ARG 110 HD2 0.02 0.12 -0.02 -0.04 3.22 3.31 2gvyB1 ARG 110 HD3 0.02 -0.05 -0.06 -0.04 3.22 3.10 2gvyB1 GLY 111 H 0.04 0.52 -0.18 -0.55 8.43 8.26 2gvyB1 GLY 111 HA2 -0.02 -0.00 0.33 -0.51 4.01 3.80 2gvyB1 GLY 111 HA3 -0.05 -0.00 0.49 -0.51 4.01 3.93 2gvyB1 MET 112 H 0.04 0.48 -0.09 -0.55 8.47 8.35 2gvyB1 MET 112 HA -0.14 0.40 0.88 -0.75 4.52 4.90 2gvyB1 MET 112 HB2 0.04 -0.09 -0.02 -0.04 2.15 2.03 2gvyB1 MET 112 HB3 0.04 -0.09 -0.14 -0.04 2.03 1.80 2gvyB1 MET 112 HG2 -0.02 0.04 -0.14 -0.04 2.63 2.47 2gvyB1 MET 112 HG3 -0.01 0.11 -0.35 -0.04 2.56 2.26 2gvyB1 MET 112 HE3 0.06 -0.04 -0.33 -0.04 2.10 1.74 2gvyB1 TYR 113 H 0.02 0.45 0.43 -0.55 8.29 8.65 2gvyB1 TYR 113 HA 0.10 0.21 0.91 -0.75 4.56 5.04 2gvyB1 TYR 113 HB2 -0.35 -0.04 0.03 -0.04 3.06 2.65 2gvyB1 TYR 113 HB3 -0.05 -0.02 -0.16 -0.04 2.98 2.70 2gvyB1 TYR 113 HD2 -1.26 0.02 -0.17 -0.04 7.15 5.70 2gvyB1 TYR 113 HE2 -0.59 -0.01 -0.19 -0.04 6.85 6.02 2gvyB1 LEU 114 H 0.31 0.24 0.23 -0.55 8.37 8.60 2gvyB1 LEU 114 HA 0.21 0.12 0.94 -0.75 4.35 4.87 2gvyB1 LEU 114 HB2 0.02 0.02 0.03 -0.04 1.64 1.67 2gvyB1 LEU 114 HB3 0.10 0.07 0.25 -0.04 1.64 2.03 2gvyB1 LEU 114 HG 0.10 -0.04 -0.36 -0.04 1.64 1.29 2gvyB1 LEU 114 HD13 0.08 -0.01 -0.02 -0.04 0.93 0.95 2gvyB1 LEU 114 HD23 -0.05 0.00 -0.07 -0.04 0.89 0.74 2gvyB1 MET 115 H 0.32 0.73 0.35 -0.55 8.47 9.33 2gvyB1 MET 115 HA 0.17 0.40 0.92 -0.75 4.52 5.25 2gvyB1 MET 115 HB2 0.19 0.03 -0.17 -0.04 2.15 2.16 2gvyB1 MET 115 HB3 0.29 0.02 0.06 -0.04 2.03 2.36 2gvyB1 MET 115 HG2 -0.20 -0.13 -0.48 -0.04 2.63 1.78 2gvyB1 MET 115 HG3 -0.26 0.05 -0.61 -0.04 2.56 1.70 2gvyB1 MET 115 HE3 -0.88 0.05 -0.31 -0.04 2.10 0.92 2gvyB1 VAL 116 H 0.01 0.52 0.31 -0.55 8.24 8.53 2gvyB1 VAL 116 HA 0.16 0.14 0.94 -0.75 4.13 4.61 2gvyB1 VAL 116 HB 0.03 0.05 0.05 -0.04 2.12 2.20 2gvyB1 VAL 116 HG13 0.09 -0.00 -0.20 -0.04 0.97 0.81 2gvyB1 VAL 116 HG23 0.01 -0.01 -0.17 -0.04 0.95 0.74 2gvyB1 ASP 117 H 0.21 0.52 0.20 -0.55 8.40 8.78 2gvyB1 ASP 117 HA -0.09 0.25 0.69 -0.75 4.63 4.73 2gvyB1 ASP 117 HB2 0.52 0.17 0.09 -0.04 2.71 3.44 2gvyB1 ASP 117 HB3 0.20 -0.12 0.09 -0.04 2.70 2.83 2gvyB1 VAL 118 H 0.01 0.62 0.43 -0.55 8.24 8.75 2gvyB1 VAL 118 HA 0.20 0.10 0.89 -0.75 4.13 4.57 2gvyB1 VAL 118 HB 0.41 0.02 -0.03 -0.04 2.12 2.48 2gvyB1 VAL 118 HG13 0.26 0.03 -0.27 -0.04 0.97 0.95 2gvyB1 VAL 118 HG23 0.19 0.01 -0.10 -0.04 0.95 1.01 2gvyB1 VAL 119 H 0.01 0.28 0.18 -0.55 8.24 8.15 2gvyB1 VAL 119 HA -0.10 0.06 0.92 -0.75 4.13 4.26 2gvyB1 VAL 119 HB -0.08 0.06 0.13 -0.04 2.12 2.19 2gvyB1 VAL 119 HG13 -0.58 0.01 -0.07 -0.04 0.97 0.29 2gvyB1 VAL 119 HG23 0.21 -0.01 -0.10 -0.04 0.95 1.00 2gvyB1 ALA 120 H -0.28 0.17 0.12 -0.55 8.40 7.87 2gvyB1 ALA 120 HA -1.77 0.21 0.79 -0.75 4.34 2.81 2gvyB1 ALA 120 HB3 -0.91 0.02 -0.01 -0.04 1.41 0.48 2gvyB1 ASN 121 H -0.23 -0.02 0.07 -0.55 8.53 7.80 2gvyB1 ASN 121 HA -0.18 0.12 0.32 -0.75 4.76 4.26 2gvyB1 ASN 121 HB2 0.07 0.06 0.07 -0.04 2.88 3.04 2gvyB1 ASN 121 HB3 0.15 -0.09 0.08 -0.04 2.79 2.88 2gvyB1 ASN 121 HD21 0.05 0.06 0.01 -0.04 7.03 7.10 2gvyB1 ASN 121 HD22 0.49 -0.09 -0.10 -0.04 7.74 7.99 2gvyB1 HIS 122 H -0.39 0.07 -0.18 -0.55 8.41 7.37 2gvyB1 HIS 122 HA -0.08 0.21 0.95 -0.75 4.63 4.95 2gvyB1 HIS 122 HB2 -0.09 0.15 -0.22 -0.04 3.26 3.06 2gvyB1 HIS 122 HB3 -0.08 0.03 -0.36 -0.04 3.20 2.74 2gvyB1 HIS 122 HD2 0.16 0.14 -0.30 -0.04 6.97 6.93 2gvyB1 HIS 122 HE1 0.03 -0.10 -0.02 -0.04 7.75 7.62 2gvyB1 MET 123 H -0.04 0.42 0.11 -0.55 8.47 8.42 2gvyB1 MET 123 HA 0.06 0.12 0.70 -0.75 4.52 4.65 2gvyB1 MET 123 HB2 -0.73 -0.05 -0.02 -0.04 2.15 1.31 2gvyB1 MET 123 HB3 -0.39 0.13 0.20 -0.04 2.03 1.92 2gvyB1 MET 123 HG2 -0.09 0.01 -0.08 -0.04 2.63 2.43 2gvyB1 MET 123 HG3 -0.82 -0.02 -0.04 -0.04 2.56 1.64 2gvyB1 MET 123 HE3 0.13 0.00 -0.30 -0.04 2.10 1.90 2gvyB1 GLY 124 H 0.21 0.63 0.05 -0.55 8.43 8.78 2gvyB1 GLY 124 HA2 0.08 0.29 0.95 -0.51 4.01 4.83 2gvyB1 GLY 124 HA3 0.25 -0.15 0.22 -0.51 4.01 3.82 2gvyB1 TYR 125 H -0.04 0.51 0.18 -0.55 8.29 8.39 2gvyB1 TYR 125 HA 0.03 0.05 0.70 -0.75 4.56 4.58 2gvyB1 TYR 125 HB2 0.16 0.05 -0.42 -0.04 3.06 2.81 2gvyB1 TYR 125 HB3 -0.00 -0.02 -0.15 -0.04 2.98 2.77 2gvyB1 TYR 125 HD2 -0.11 0.04 -0.41 -0.04 7.15 6.63 2gvyB1 TYR 125 HE2 -0.20 0.07 -0.07 -0.04 6.85 6.61 2gvyB1 ASP 126 H -0.54 0.12 0.10 -0.55 8.40 7.53 2gvyB1 ASP 126 HA -0.20 0.07 0.73 -0.75 4.63 4.48 2gvyB1 ASP 126 HB2 -0.18 -0.04 0.10 -0.04 2.71 2.55 2gvyB1 ASP 126 HB3 -0.29 -0.00 0.21 -0.04 2.70 2.58 2gvyB1 GLY 127 H -0.05 0.33 0.26 -0.55 8.43 8.43 2gvyB1 GLY 127 HA2 -0.01 -0.00 0.31 -0.51 4.01 3.79 2gvyB1 GLY 127 HA3 0.09 0.19 0.93 -0.51 4.01 4.71 2gvyB1 ALA 128 H -0.00 0.06 0.15 -0.55 8.40 8.06 2gvyB1 ALA 128 HA 0.03 0.13 0.59 -0.75 4.34 4.34 2gvyB1 ALA 128 HB3 -0.04 -0.00 0.11 -0.04 1.41 1.44 2gvyB1 GLY 129 H -0.38 0.15 0.09 -0.55 8.43 7.74 2gvyB1 GLY 129 HA2 -0.47 0.12 0.26 -0.51 4.01 3.41 2gvyB1 GLY 129 HA3 -2.37 0.06 0.25 -0.51 4.01 1.44 2gvyB1 SER 130 H -0.55 0.05 -0.16 -0.55 8.46 7.25 2gvyB1 SER 130 HA -0.28 0.13 0.57 -0.75 4.49 4.16 2gvyB1 SER 130 HB2 -0.12 0.00 -0.06 -0.04 3.95 3.72 2gvyB1 SER 130 HB3 -0.10 0.05 0.08 -0.04 3.93 3.92 2gvyB1 SER 131 H -0.23 0.40 -0.49 -0.55 8.46 7.59 2gvyB1 SER 131 HA -0.10 0.14 0.52 -0.75 4.49 4.30 2gvyB1 SER 131 HB2 -0.02 -0.01 0.08 -0.04 3.95 3.96 2gvyB1 SER 131 HB3 -0.06 -0.13 -0.01 -0.04 3.93 3.69 2gvyB1 VAL 132 H -0.36 0.26 -0.37 -0.55 8.24 7.23 2gvyB1 VAL 132 HA -1.43 0.00 0.27 -0.75 4.13 2.22 2gvyB1 VAL 132 HB -0.57 0.07 0.05 -0.04 2.12 1.62 2gvyB1 VAL 132 HG13 -1.23 -0.04 -0.35 -0.04 0.97 -0.69 2gvyB1 VAL 132 HG23 -0.39 -0.00 -0.12 -0.04 0.95 0.39 2gvyB1 ASP 133 H -0.61 0.18 0.15 -0.55 8.40 7.57 2gvyB1 ASP 133 HA -0.14 0.16 0.91 -0.75 4.63 4.81 2gvyB1 ASP 133 HB2 -0.05 0.11 0.11 -0.04 2.71 2.83 2gvyB1 ASP 133 HB3 -0.03 -0.00 0.22 -0.04 2.70 2.84 2gvyB1 TYR 134 H 0.14 0.22 0.00 -0.55 8.29 8.10 2gvyB1 TYR 134 HA -0.27 0.12 0.10 -0.75 4.56 3.76 2gvyB1 TYR 134 HB2 0.08 -0.08 -0.09 -0.04 3.06 2.93 2gvyB1 TYR 134 HB3 0.26 0.10 -0.28 -0.04 2.98 3.02 2gvyB1 TYR 134 HD2 -0.30 0.04 -0.07 -0.04 7.15 6.77 2gvyB1 TYR 134 HE2 -0.45 0.05 -0.06 -0.04 6.85 6.35 2gvyB1 SER 135 H 0.03 -0.00 -0.33 -0.55 8.46 7.62 2gvyB1 SER 135 HA 0.10 0.29 0.48 -0.75 4.49 4.60 2gvyB1 SER 135 HB2 0.04 0.02 0.12 -0.04 3.95 4.09 2gvyB1 SER 135 HB3 0.05 -0.03 0.11 -0.04 3.93 4.02 2gvyB1 VAL 136 H -0.28 0.32 -0.48 -0.55 8.24 7.25 2gvyB1 VAL 136 HA -0.05 0.09 0.36 -0.75 4.13 3.78 2gvyB1 VAL 136 HB -0.08 -0.05 0.09 -0.04 2.12 2.04 2gvyB1 VAL 136 HG13 -0.06 -0.01 -0.01 -0.04 0.97 0.85 2gvyB1 VAL 136 HG23 -0.45 0.04 -0.10 -0.04 0.95 0.40 2gvyB1 PHE 137 H -0.13 0.35 -0.33 -0.55 8.34 7.67 2gvyB1 PHE 137 HA 0.11 0.23 0.70 -0.75 4.62 4.91 2gvyB1 PHE 137 HB2 0.27 0.25 -0.15 -0.04 3.15 3.48 2gvyB1 PHE 137 HB3 0.27 -0.10 -0.10 -0.04 3.06 3.09 2gvyB1 PHE 137 HD2 0.17 0.09 0.02 -0.04 7.28 7.52 2gvyB1 PHE 137 HE2 -0.29 0.09 -0.08 -0.04 7.38 7.05 2gvyB1 PHE 137 HZ -0.11 -0.05 -0.22 -0.04 7.32 6.90 2gvyB1 LYS 138 H 0.18 0.70 0.37 -0.55 8.42 9.12 2gvyB1 LYS 138 HA -0.01 0.12 0.75 -0.75 4.32 4.42 2gvyB1 LYS 138 HB2 0.08 -0.15 0.12 -0.04 1.87 1.88 2gvyB1 LYS 138 HB3 0.03 0.01 0.03 -0.04 1.79 1.82 2gvyB1 LYS 138 HG2 0.05 0.13 -0.26 -0.04 1.46 1.35 2gvyB1 LYS 138 HG3 0.09 0.11 -0.31 -0.04 1.46 1.31 2gvyB1 LYS 138 HD2 0.05 0.03 -0.07 -0.04 1.69 1.66 2gvyB1 LYS 138 HD3 0.08 -0.07 -0.04 -0.04 1.68 1.60 2gvyB1 LYS 138 HE2 0.05 -0.05 -0.04 -0.04 2.99 2.91 2gvyB1 LYS 138 HE3 0.02 0.04 -0.03 -0.04 2.99 2.98 2gvyB1 PRO 139 HA -0.15 0.12 0.35 -0.51 4.44 4.25 2gvyB1 PRO 139 HB2 -0.35 0.03 0.08 -0.04 2.28 2.00 2gvyB1 PRO 139 HB3 -0.19 0.04 0.08 -0.04 2.02 1.91 2gvyB1 PRO 139 HG2 -1.46 0.04 -0.08 -0.04 2.03 0.48 2gvyB1 PRO 139 HG3 -0.47 0.07 0.04 -0.04 2.03 1.63 2gvyB1 PRO 139 HD2 -1.37 0.11 0.15 -0.04 3.68 2.53 2gvyB1 PRO 139 HD3 -0.32 0.09 0.30 -0.04 3.65 3.68 2gvyB1 PHE 140 H -0.37 0.14 -0.33 -0.55 8.34 7.22 2gvyB1 PHE 140 HA -1.21 0.06 0.33 -0.75 4.62 3.04 2gvyB1 PHE 140 HB2 -0.12 0.03 0.03 -0.04 3.15 3.05 2gvyB1 PHE 140 HB3 -0.56 0.01 0.07 -0.04 3.06 2.55 2gvyB1 PHE 140 HD2 -0.80 0.00 -0.12 -0.04 7.28 6.32 2gvyB1 PHE 140 HE2 -1.14 0.02 -0.05 -0.04 7.38 6.18 2gvyB1 PHE 140 HZ -1.97 0.02 -0.07 -0.04 7.32 5.26 2gvyB1 SER 141 H 0.07 0.50 0.03 -0.55 8.46 8.51 2gvyB1 SER 141 HA 0.31 0.36 0.23 -0.75 4.49 4.64 2gvyB1 SER 141 HB2 0.12 -0.05 0.20 -0.04 3.95 4.18 2gvyB1 SER 141 HB3 0.10 0.18 0.05 -0.04 3.93 4.23 2gvyB1 SER 142 H 0.66 0.32 -0.57 -0.55 8.46 8.32 2gvyB1 SER 142 HA 0.23 0.10 0.65 -0.75 4.49 4.71 2gvyB1 SER 142 HB2 0.15 0.15 -0.10 -0.04 3.95 4.10 2gvyB1 SER 142 HB3 0.24 0.01 -0.12 -0.04 3.93 4.03 2gvyB1 GLN 143 H -0.05 0.18 0.13 -0.55 8.47 8.18 2gvyB1 GLN 143 HA -0.74 0.15 0.42 -0.75 4.36 3.43 2gvyB1 GLN 143 HB2 -0.50 -0.01 0.13 -0.04 2.15 1.73 2gvyB1 GLN 143 HB3 -0.17 -0.00 0.07 -0.04 2.02 1.88 2gvyB1 GLN 143 HG2 -0.15 0.05 -0.05 -0.04 2.40 2.21 2gvyB1 GLN 143 HG3 -0.71 0.04 0.05 -0.04 2.39 1.72 2gvyB1 GLN 143 HE21 0.03 -0.01 0.01 -0.04 6.97 6.96 2gvyB1 GLN 143 HE22 0.03 0.02 -0.02 -0.04 7.69 7.68 2gvyB1 ASP 144 H -0.05 0.02 -0.34 -0.55 8.40 7.48 2gvyB1 ASP 144 HA -0.07 0.15 0.32 -0.75 4.63 4.27 2gvyB1 ASP 144 HB2 -0.24 -0.02 -0.02 -0.04 2.71 2.39 2gvyB1 ASP 144 HB3 -0.18 0.03 0.07 -0.04 2.70 2.58 2gvyB1 TYR 145 H 0.15 0.35 -0.66 -0.55 8.29 7.58 2gvyB1 TYR 145 HA -0.18 0.05 0.52 -0.75 4.56 4.20 2gvyB1 TYR 145 HB2 -0.18 0.26 0.03 -0.04 3.06 3.12 2gvyB1 TYR 145 HB3 -0.65 -0.04 0.04 -0.04 2.98 2.30 2gvyB1 TYR 145 HD2 0.06 0.01 -0.09 -0.04 7.15 7.09 2gvyB1 TYR 145 HE2 0.06 -0.01 -0.11 -0.04 6.85 6.75 2gvyB1 PHE 146 H 0.14 0.56 -0.25 -0.55 8.34 8.24 2gvyB1 PHE 146 HA -0.12 0.02 0.89 -0.75 4.62 4.65 2gvyB1 PHE 146 HB2 0.05 -0.01 0.02 -0.04 3.15 3.16 2gvyB1 PHE 146 HB3 0.15 0.15 -0.02 -0.04 3.06 3.29 2gvyB1 PHE 146 HD2 -0.12 0.01 -0.44 -0.04 7.28 6.69 2gvyB1 PHE 146 HE2 -0.01 0.16 -0.09 -0.04 7.38 7.40 2gvyB1 PHE 146 HZ -0.31 -0.01 -0.07 -0.04 7.32 6.89 2gvyB1 HIS 147 H 0.15 0.68 0.22 -0.55 8.41 8.92 2gvyB1 HIS 147 HA 0.15 0.01 0.70 -0.75 4.63 4.73 2gvyB1 HIS 147 HB2 0.33 -0.01 0.14 -0.04 3.26 3.69 2gvyB1 HIS 147 HB3 0.26 0.17 0.13 -0.04 3.20 3.72 2gvyB1 HIS 147 HD2 0.06 -0.05 0.09 -0.04 6.97 7.02 2gvyB1 HIS 147 HE1 -0.01 0.04 0.12 -0.04 7.75 7.86 2gvyB1 PRO 148 HA 0.18 -0.00 0.52 -0.51 4.44 4.63 2gvyB1 PRO 148 HB2 0.03 0.02 -0.06 -0.04 2.28 2.23 2gvyB1 PRO 148 HB3 0.04 -0.02 0.07 -0.04 2.02 2.06 2gvyB1 PRO 148 HG2 0.07 -0.01 0.07 -0.04 2.03 2.12 2gvyB1 PRO 148 HG3 0.08 0.02 0.09 -0.04 2.03 2.18 2gvyB1 PRO 148 HD2 0.21 0.09 0.23 -0.04 3.68 4.17 2gvyB1 PRO 148 HD3 0.19 0.18 0.25 -0.04 3.65 4.22 2gvyB1 PHE 149 H 0.03 0.04 0.14 -0.55 8.34 8.00 2gvyB1 PHE 149 HA -1.59 0.09 0.28 -0.75 4.62 2.65 2gvyB1 PHE 149 HB2 -1.01 0.07 0.05 -0.04 3.15 2.22 2gvyB1 PHE 149 HB3 -0.48 -0.03 0.12 -0.04 3.06 2.63 2gvyB1 PHE 149 HD2 -1.65 0.07 -0.07 -0.04 7.28 5.58 2gvyB1 PHE 149 HE2 -0.74 0.04 -0.11 -0.04 7.38 6.53 2gvyB1 PHE 149 HZ -0.79 -0.03 -0.08 -0.04 7.32 6.38 2gvyB1 CYS 150 H -1.01 0.38 0.32 -0.55 8.50 7.65 2gvyB1 CYS 150 HA -1.03 0.00 0.35 -0.75 4.58 3.15 2gvyB1 CYS 150 HB2 -0.27 0.05 0.05 -0.04 2.97 2.76 2gvyB1 CYS 150 HB3 -0.34 0.05 0.12 -0.04 2.97 2.76 2gvyB1 PHE 151 H -0.43 0.08 0.11 -0.55 8.34 7.55 2gvyB1 PHE 151 HA -0.01 0.35 0.85 -0.75 4.62 5.05 2gvyB1 PHE 151 HB2 -0.10 -0.10 0.03 -0.04 3.15 2.94 2gvyB1 PHE 151 HB3 -0.00 0.17 0.03 -0.04 3.06 3.22 2gvyB1 PHE 151 HD2 0.06 0.14 -0.10 -0.04 7.28 7.35 2gvyB1 PHE 151 HE2 0.23 0.01 -0.20 -0.04 7.38 7.38 2gvyB1 PHE 151 HZ 0.22 -0.03 -0.51 -0.04 7.32 6.96 2gvyB1 ILE 152 H 0.20 0.51 0.14 -0.55 8.25 8.55 2gvyB1 ILE 152 HA -0.04 0.04 0.66 -0.75 4.18 4.08 2gvyB1 ILE 152 HB -0.06 -0.02 0.01 -0.04 1.89 1.77 2gvyB1 ILE 152 HG12 0.00 0.19 -0.20 -0.04 1.49 1.44 2gvyB1 ILE 152 HG13 0.11 0.07 -0.39 -0.04 1.21 0.95 2gvyB1 ILE 152 HG23 -0.56 -0.04 -0.34 -0.04 0.93 -0.05 2gvyB1 ILE 152 HD13 0.10 0.02 -0.10 -0.04 0.88 0.86 2gvyB1 GLN 153 H -0.04 0.03 0.10 -0.55 8.47 8.01 2gvyB1 GLN 153 HA 0.07 0.28 0.88 -0.75 4.36 4.84 2gvyB1 GLN 153 HB2 0.00 -0.02 0.02 -0.04 2.15 2.11 2gvyB1 GLN 153 HB3 0.03 -0.01 0.05 -0.04 2.02 2.06 2gvyB1 GLN 153 HG2 0.06 0.06 -0.16 -0.04 2.40 2.32 2gvyB1 GLN 153 HG3 0.05 0.04 -0.50 -0.04 2.39 1.94 2gvyB1 GLN 153 HE21 -0.01 -0.01 -0.02 -0.04 6.97 6.89 2gvyB1 GLN 153 HE22 -0.02 0.07 -0.03 -0.04 7.69 7.67 2gvyB1 ASN 154 H -0.07 0.05 0.07 -0.55 8.53 8.04 2gvyB1 ASN 154 HA 0.04 0.22 0.94 -0.75 4.76 5.21 2gvyB1 ASN 154 HB2 -0.01 0.06 0.03 -0.04 2.88 2.92 2gvyB1 ASN 154 HB3 -0.03 -0.01 0.22 -0.04 2.79 2.93 2gvyB1 ASN 154 HD21 0.00 0.05 -0.04 -0.04 7.03 7.00 2gvyB1 ASN 154 HD22 -0.01 0.03 -0.00 -0.04 7.74 7.72 2gvyB1 TYR 155 H 0.22 0.28 0.04 -0.55 8.29 8.28 2gvyB1 TYR 155 HA 0.01 0.17 0.42 -0.75 4.56 4.41 2gvyB1 TYR 155 HB2 -0.04 0.01 0.05 -0.04 3.06 3.04 2gvyB1 TYR 155 HB3 -0.07 0.04 0.04 -0.04 2.98 2.95 2gvyB1 TYR 155 HD2 -0.02 0.02 -0.11 -0.04 7.15 7.00 2gvyB1 TYR 155 HE2 0.13 0.06 -0.10 -0.04 6.85 6.89 2gvyB1 GLU 156 H 0.05 0.02 -0.33 -0.55 8.60 7.80 2gvyB1 GLU 156 HA 0.02 0.18 0.58 -0.75 4.29 4.31 2gvyB1 GLU 156 HB2 0.02 -0.01 -0.04 -0.04 2.09 2.01 2gvyB1 GLU 156 HB3 0.02 0.04 0.09 -0.04 1.99 2.10 2gvyB1 GLU 156 HG2 0.03 -0.08 0.00 -0.04 2.34 2.25 2gvyB1 GLU 156 HG3 0.01 0.04 0.00 -0.04 2.34 2.35 2gvyB1 ASP 157 H -0.01 0.39 -0.51 -0.55 8.40 7.73 2gvyB1 ASP 157 HA 0.01 0.16 0.78 -0.75 4.63 4.83 2gvyB1 ASP 157 HB2 -0.01 0.03 0.03 -0.04 2.71 2.72 2gvyB1 ASP 157 HB3 -0.03 0.14 0.24 -0.04 2.70 3.01 2gvyB1 GLN 158 H 0.05 0.28 0.03 -0.55 8.47 8.29 2gvyB1 GLN 158 HA 0.08 0.14 0.21 -0.75 4.36 4.03 2gvyB1 GLN 158 HB2 0.13 0.07 0.08 -0.04 2.15 2.38 2gvyB1 GLN 158 HB3 0.06 -0.04 0.05 -0.04 2.02 2.05 2gvyB1 GLN 158 HG2 0.09 0.02 -0.01 -0.04 2.40 2.47 2gvyB1 GLN 158 HG3 0.08 -0.02 -0.13 -0.04 2.39 2.28 2gvyB1 GLN 158 HE21 0.19 0.28 0.07 -0.04 6.97 7.48 2gvyB1 GLN 158 HE22 0.15 -0.07 -0.04 -0.04 7.69 7.69 2gvyB1 THR 159 H 0.01 0.06 -0.23 -0.55 8.28 7.58 2gvyB1 THR 159 HA 0.01 0.12 0.49 -0.75 4.39 4.25 2gvyB1 THR 159 HB -0.01 -0.03 0.03 -0.04 4.32 4.27 2gvyB1 THR 159 HG23 -0.02 0.02 -0.05 -0.04 1.22 1.13 2gvyB1 GLN 160 H -0.03 0.22 -0.17 -0.55 8.47 7.95 2gvyB1 GLN 160 HA -0.05 0.08 0.49 -0.75 4.36 4.11 2gvyB1 GLN 160 HB2 -0.05 -0.04 0.11 -0.04 2.15 2.12 2gvyB1 GLN 160 HB3 -0.07 0.18 0.19 -0.04 2.02 2.28 2gvyB1 GLN 160 HG2 -0.08 0.01 -0.08 -0.04 2.40 2.20 2gvyB1 GLN 160 HG3 -0.06 0.07 0.05 -0.04 2.39 2.41 2gvyB1 GLN 160 HE21 -0.04 -0.02 0.06 -0.04 6.97 6.94 2gvyB1 GLN 160 HE22 -0.04 0.05 0.05 -0.04 7.69 7.71 2gvyB1 VAL 161 H -0.05 0.37 -0.14 -0.55 8.24 7.87 2gvyB1 VAL 161 HA -0.10 -0.04 0.31 -0.75 4.13 3.54 2gvyB1 VAL 161 HB 0.02 0.15 0.10 -0.04 2.12 2.36 2gvyB1 VAL 161 HG13 -0.07 0.01 -0.14 -0.04 0.97 0.72 2gvyB1 VAL 161 HG23 -0.16 0.03 -0.07 -0.04 0.95 0.70 2gvyB1 GLU 162 H 0.02 0.14 -0.49 -0.55 8.60 7.72 2gvyB1 GLU 162 HA 0.12 0.32 0.53 -0.75 4.29 4.50 2gvyB1 GLU 162 HB2 0.02 -0.00 0.11 -0.04 2.09 2.18 2gvyB1 GLU 162 HB3 0.05 -0.14 -0.08 -0.04 1.99 1.78 2gvyB1 GLU 162 HG2 0.11 -0.02 -0.57 -0.04 2.34 1.83 2gvyB1 GLU 162 HG3 0.08 0.11 -0.11 -0.04 2.34 2.38 2gvyB1 ASP 163 H -0.06 0.27 0.02 -0.55 8.40 8.07 2gvyB1 ASP 163 HA -0.80 0.12 0.63 -0.75 4.63 3.82 2gvyB1 ASP 163 HB2 -0.15 0.04 0.11 -0.04 2.71 2.67 2gvyB1 ASP 163 HB3 -0.33 -0.06 0.04 -0.04 2.70 2.31 2gvyB1 CYS 164 H -0.00 0.47 -0.02 -0.55 8.50 8.40 2gvyB1 CYS 164 HA 0.17 0.21 0.95 -0.75 4.58 5.16 2gvyB1 CYS 164 HB2 0.01 0.05 -0.13 -0.04 2.97 2.86 2gvyB1 CYS 164 HB3 0.04 -0.04 -0.47 -0.04 2.97 2.45 2gvyB1 TRP 165 H 0.33 0.80 0.38 -0.55 7.97 8.92 2gvyB1 TRP 165 HA 0.11 0.16 0.50 -0.75 4.62 4.63 2gvyB1 TRP 165 HB2 0.17 -0.05 0.09 -0.04 3.23 3.40 2gvyB1 TRP 165 HB3 0.23 0.08 -0.01 -0.04 3.23 3.49 2gvyB1 TRP 165 HD1 0.12 0.05 -0.11 -0.04 7.22 7.24 2gvyB1 TRP 165 HE1 0.24 0.46 -0.20 -0.04 10.20 10.66 2gvyB1 TRP 165 HE3 0.20 -0.01 -0.16 -0.04 7.59 7.57 2gvyB1 TRP 165 HZ2 0.23 0.14 -0.04 -0.04 7.44 7.73 2gvyB1 TRP 165 HZ3 -0.21 -0.01 -0.12 -0.04 7.13 6.75 2gvyB1 TRP 165 HH2 -0.16 0.05 -0.03 -0.04 7.19 7.01 2gvyB1 LEU 166 H 0.09 0.21 0.22 -0.55 8.37 8.34 2gvyB1 LEU 166 HA 0.08 0.10 0.76 -0.75 4.35 4.54 2gvyB1 LEU 166 HB2 -0.22 0.06 0.11 -0.04 1.64 1.55 2gvyB1 LEU 166 HB3 -0.14 -0.09 0.10 -0.04 1.64 1.46 2gvyB1 LEU 166 HG -0.37 0.14 0.06 -0.04 1.64 1.43 2gvyB1 LEU 166 HD13 -0.45 -0.01 0.03 -0.04 0.93 0.45 2gvyB1 LEU 166 HD23 -0.16 -0.01 0.07 -0.04 0.89 0.75 2gvyB1 GLY 167 H 0.01 0.07 0.18 -0.55 8.43 8.14 2gvyB1 GLY 167 HA2 0.03 -0.02 0.36 -0.51 4.01 3.87 2gvyB1 GLY 167 HA3 0.09 0.18 0.70 -0.51 4.01 4.47 2gvyB1 ASP 168 H 0.08 0.57 0.23 -0.55 8.40 8.74 2gvyB1 ASP 168 HA -0.99 0.21 0.62 -0.75 4.63 3.72 2gvyB1 ASP 168 HB2 -0.15 -0.16 0.20 -0.04 2.71 2.55 2gvyB1 ASP 168 HB3 -0.20 0.18 -0.12 -0.04 2.70 2.52 2gvyB1 ASN 169 H 0.01 0.18 0.10 -0.55 8.53 8.28 2gvyB1 ASN 169 HA 0.26 0.06 0.37 -0.75 4.76 4.69 2gvyB1 ASN 169 HB2 0.06 0.03 0.02 -0.04 2.88 2.95 2gvyB1 ASN 169 HB3 0.09 0.00 0.06 -0.04 2.79 2.90 2gvyB1 ASN 169 HD21 0.20 0.05 0.02 -0.04 7.03 7.26 2gvyB1 ASN 169 HD22 0.07 0.01 0.05 -0.04 7.74 7.84 2gvyB1 THR 170 H -0.02 -0.01 -0.28 -0.55 8.28 7.43 2gvyB1 THR 170 HA -0.15 0.14 0.59 -0.75 4.39 4.22 2gvyB1 THR 170 HB -0.63 -0.01 0.03 -0.04 4.32 3.67 2gvyB1 THR 170 HG23 -0.70 0.01 -0.10 -0.04 1.22 0.39 2gvyB1 VAL 171 H -0.04 0.05 -0.13 -0.55 8.24 7.57 2gvyB1 VAL 171 HA -0.21 0.17 0.94 -0.75 4.13 4.27 2gvyB1 VAL 171 HB -0.17 -0.07 0.07 -0.04 2.12 1.92 2gvyB1 VAL 171 HG13 -1.31 0.03 -0.16 -0.04 0.97 -0.51 2gvyB1 VAL 171 HG23 -0.44 -0.02 -0.17 -0.04 0.95 0.28 2gvyB1 SER 172 H 0.03 0.47 0.20 -0.55 8.46 8.62 2gvyB1 SER 172 HA 0.25 0.14 1.07 -0.75 4.49 5.19 2gvyB1 SER 172 HB2 0.62 -0.07 0.01 -0.04 3.95 4.47 2gvyB1 SER 172 HB3 0.33 0.02 0.02 -0.04 3.93 4.26 2gvyB1 LEU 173 H 0.27 0.31 0.02 -0.55 8.37 8.43 2gvyB1 LEU 173 HA -0.03 0.35 0.82 -0.75 4.35 4.74 2gvyB1 LEU 173 HB2 -0.12 -0.05 0.04 -0.04 1.64 1.48 2gvyB1 LEU 173 HB3 -0.38 0.06 0.02 -0.04 1.64 1.29 2gvyB1 LEU 173 HG -0.03 -0.04 -0.35 -0.04 1.64 1.17 2gvyB1 LEU 173 HD13 -0.37 -0.03 -0.11 -0.04 0.93 0.37 2gvyB1 LEU 173 HD23 -0.01 0.07 -0.23 -0.04 0.89 0.67 2gvyB1 PRO 174 HA -3.00 -0.02 0.27 -0.51 4.44 1.17 2gvyB1 PRO 174 HB2 -0.71 -0.04 -0.01 -0.04 2.28 1.47 2gvyB1 PRO 174 HB3 -1.02 0.05 -0.06 -0.04 2.02 0.95 2gvyB1 PRO 174 HG2 -0.13 0.04 -0.22 -0.04 2.03 1.68 2gvyB1 PRO 174 HG3 -0.34 0.00 -0.16 -0.04 2.03 1.49 2gvyB1 PRO 174 HD2 -0.13 0.12 -0.46 -0.04 3.68 3.17 2gvyB1 PRO 174 HD3 -0.05 0.13 -0.67 -0.04 3.65 3.02 2gvyB1 ASP 175 H -2.03 0.07 0.18 -0.55 8.40 6.07 2gvyB1 ASP 175 HA -0.15 0.19 0.60 -0.75 4.63 4.52 2gvyB1 ASP 175 HB2 -0.27 -0.10 0.02 -0.04 2.71 2.31 2gvyB1 ASP 175 HB3 0.15 -0.09 0.10 -0.04 2.70 2.82 2gvyB1 LEU 176 H -0.13 0.57 0.42 -0.55 8.37 8.69 2gvyB1 LEU 176 HA -0.66 0.03 0.45 -0.75 4.35 3.41 2gvyB1 LEU 176 HB2 -0.22 0.19 0.12 -0.04 1.64 1.68 2gvyB1 LEU 176 HB3 -0.45 -0.08 -0.06 -0.04 1.64 1.01 2gvyB1 LEU 176 HG -0.47 -0.01 -0.06 -0.04 1.64 1.06 2gvyB1 LEU 176 HD13 -0.41 0.00 -0.16 -0.04 0.93 0.32 2gvyB1 LEU 176 HD23 -1.61 -0.02 -0.07 -0.04 0.89 -0.85 2gvyB1 ASP 177 H -0.45 0.71 0.41 -0.55 8.40 8.52 2gvyB1 ASP 177 HA -0.95 0.17 0.90 -0.75 4.63 3.99 2gvyB1 ASP 177 HB2 -0.43 0.09 -0.23 -0.04 2.71 2.10 2gvyB1 ASP 177 HB3 -0.25 0.03 0.08 -0.04 2.70 2.52 2gvyB1 THR 178 H -0.25 0.52 0.07 -0.55 8.28 8.07 2gvyB1 THR 178 HA -0.09 0.05 0.33 -0.75 4.39 3.92 2gvyB1 THR 178 HB -0.60 -0.03 0.09 -0.04 4.32 3.75 2gvyB1 THR 178 HG23 -0.49 0.05 -0.05 -0.04 1.22 0.69 2gvyB1 THR 179 H -0.07 0.06 -0.53 -0.55 8.28 7.19 2gvyB1 THR 179 HA 0.03 0.16 0.74 -0.75 4.39 4.56 2gvyB1 THR 179 HB 0.03 -0.01 0.08 -0.04 4.32 4.38 2gvyB1 THR 179 HG23 0.07 -0.00 -0.02 -0.04 1.22 1.23 2gvyB1 LYS 180 H -0.06 0.53 -0.08 -0.55 8.42 8.26 2gvyB1 LYS 180 HA -0.02 0.09 0.57 -0.75 4.32 4.20 2gvyB1 LYS 180 HB2 -0.06 0.17 0.23 -0.04 1.87 2.17 2gvyB1 LYS 180 HB3 -0.04 -0.18 0.07 -0.04 1.79 1.60 2gvyB1 LYS 180 HG2 -0.05 -0.02 0.02 -0.04 1.46 1.37 2gvyB1 LYS 180 HG3 -0.08 -0.00 0.04 -0.04 1.46 1.38 2gvyB1 LYS 180 HD2 -0.12 0.12 0.07 -0.04 1.69 1.73 2gvyB1 LYS 180 HD3 -0.10 -0.13 0.06 -0.04 1.68 1.47 2gvyB1 LYS 180 HE2 -0.11 0.13 0.09 -0.04 2.99 3.07 2gvyB1 LYS 180 HE3 -0.07 -0.11 0.04 -0.04 2.99 2.81 2gvyB1 ASP 181 H -0.01 0.20 0.19 -0.55 8.40 8.23 2gvyB1 ASP 181 HA -0.01 0.12 0.40 -0.75 4.63 4.39 2gvyB1 ASP 181 HB2 -0.00 -0.03 0.14 -0.04 2.71 2.77 2gvyB1 ASP 181 HB3 0.00 0.03 -0.01 -0.04 2.70 2.68 2gvyB1 VAL 182 H 0.00 0.09 -0.18 -0.55 8.24 7.60 2gvyB1 VAL 182 HA 0.04 0.08 0.38 -0.75 4.13 3.87 2gvyB1 VAL 182 HB 0.17 0.03 -0.03 -0.04 2.12 2.25 2gvyB1 VAL 182 HG13 0.01 0.00 0.01 -0.04 0.97 0.95 2gvyB1 VAL 182 HG23 0.02 0.01 -0.05 -0.04 0.95 0.88 2gvyB1 VAL 183 H 0.02 0.13 -0.28 -0.55 8.24 7.55 2gvyB1 VAL 183 HA 0.05 0.03 0.46 -0.75 4.13 3.92 2gvyB1 VAL 183 HB -0.05 0.12 0.12 -0.04 2.12 2.27 2gvyB1 VAL 183 HG13 -0.20 -0.02 -0.22 -0.04 0.97 0.49 2gvyB1 VAL 183 HG23 -0.11 -0.02 0.04 -0.04 0.95 0.82 2gvyB1 LYS 184 H -0.00 0.54 -0.05 -0.55 8.42 8.35 2gvyB1 LYS 184 HA -0.19 0.04 0.47 -0.75 4.32 3.87 2gvyB1 LYS 184 HB2 -0.16 0.02 0.11 -0.04 1.87 1.80 2gvyB1 LYS 184 HB3 -0.67 -0.02 -0.01 -0.04 1.79 1.05 2gvyB1 LYS 184 HG2 -0.05 0.01 0.04 -0.04 1.46 1.41 2gvyB1 LYS 184 HG3 0.06 0.07 -0.06 -0.04 1.46 1.48 2gvyB1 LYS 184 HD2 0.00 -0.06 -0.33 -0.04 1.69 1.26 2gvyB1 LYS 184 HD3 -0.02 -0.05 -0.05 -0.04 1.68 1.52 2gvyB1 LYS 184 HE2 0.07 0.04 -0.06 -0.04 2.99 3.00 2gvyB1 LYS 184 HE3 0.11 0.22 -0.01 -0.04 2.99 3.27 2gvyB1 ASN 185 H -0.07 0.60 -0.13 -0.55 8.53 8.37 2gvyB1 ASN 185 HA -0.02 0.02 0.31 -0.75 4.76 4.31 2gvyB1 ASN 185 HB2 0.02 0.05 0.10 -0.04 2.88 3.01 2gvyB1 ASN 185 HB3 0.04 -0.04 0.01 -0.04 2.79 2.76 2gvyB1 ASN 185 HD21 0.02 -0.06 -0.05 -0.04 7.03 6.90 2gvyB1 ASN 185 HD22 0.02 -0.04 -0.05 -0.04 7.74 7.63 2gvyB1 GLU 186 H 0.04 0.51 -0.20 -0.55 8.60 8.40 2gvyB1 GLU 186 HA 0.07 0.00 0.42 -0.75 4.29 4.03 2gvyB1 GLU 186 HB2 -0.02 0.04 0.13 -0.04 2.09 2.19 2gvyB1 GLU 186 HB3 0.01 0.10 0.15 -0.04 1.99 2.21 2gvyB1 GLU 186 HG2 -0.81 -0.05 -0.03 -0.04 2.34 1.41 2gvyB1 GLU 186 HG3 -0.47 0.00 -0.14 -0.04 2.34 1.69 2gvyB1 TRP 187 H 0.24 0.59 -0.11 -0.55 7.97 8.14 2gvyB1 TRP 187 HA 0.36 -0.00 0.39 -0.75 4.62 4.62 2gvyB1 TRP 187 HB2 0.25 0.16 0.16 -0.04 3.23 3.75 2gvyB1 TRP 187 HB3 0.67 -0.04 -0.03 -0.04 3.23 3.79 2gvyB1 TRP 187 HD1 0.06 -0.02 -0.09 -0.04 7.22 7.13 2gvyB1 TRP 187 HE1 -0.44 0.12 0.01 -0.04 10.20 9.85 2gvyB1 TRP 187 HE3 0.13 -0.05 0.06 -0.04 7.59 7.70 2gvyB1 TRP 187 HZ2 -0.24 0.02 -0.13 -0.04 7.44 7.05 2gvyB1 TRP 187 HZ3 -2.05 -0.03 0.02 -0.04 7.13 5.02 2gvyB1 TRP 187 HH2 -0.40 -0.03 0.01 -0.04 7.19 6.73 2gvyB1 TYR 188 H 0.25 0.64 -0.10 -0.55 8.29 8.53 2gvyB1 TYR 188 HA 0.06 0.04 0.50 -0.75 4.56 4.41 2gvyB1 TYR 188 HB2 0.08 0.02 0.10 -0.04 3.06 3.22 2gvyB1 TYR 188 HB3 0.03 -0.01 0.01 -0.04 2.98 2.97 2gvyB1 TYR 188 HD2 0.06 -0.07 -0.15 -0.04 7.15 6.95 2gvyB1 TYR 188 HE2 -0.50 -0.01 -0.04 -0.04 6.85 6.26 2gvyB1 ASP 189 H 0.26 0.59 -0.06 -0.55 8.40 8.64 2gvyB1 ASP 189 HA 0.14 0.04 0.52 -0.75 4.63 4.58 2gvyB1 ASP 189 HB2 0.21 0.09 0.16 -0.04 2.71 3.12 2gvyB1 ASP 189 HB3 0.15 -0.06 -0.00 -0.04 2.70 2.75 2gvyB1 TRP 190 H 0.47 0.56 -0.16 -0.55 7.97 8.29 2gvyB1 TRP 190 HA 0.16 -0.02 0.40 -0.75 4.62 4.40 2gvyB1 TRP 190 HB2 0.09 0.03 0.12 -0.04 3.23 3.43 2gvyB1 TRP 190 HB3 0.43 0.10 0.19 -0.04 3.23 3.90 2gvyB1 TRP 190 HD1 -1.11 -0.05 -0.05 -0.04 7.22 5.97 2gvyB1 TRP 190 HE1 -0.17 0.50 0.11 -0.04 10.20 10.59 2gvyB1 TRP 190 HE3 0.45 0.12 -0.06 -0.04 7.59 8.06 2gvyB1 TRP 190 HZ2 0.15 -0.04 0.05 -0.04 7.44 7.56 2gvyB1 TRP 190 HZ3 0.20 -0.02 -0.07 -0.04 7.13 7.19 2gvyB1 TRP 190 HH2 0.14 -0.07 0.02 -0.04 7.19 7.23 2gvyB1 VAL 191 H 0.41 0.64 -0.10 -0.55 8.24 8.64 2gvyB1 VAL 191 HA -0.55 -0.04 0.30 -0.75 4.13 3.09 2gvyB1 VAL 191 HB 0.13 -0.01 0.08 -0.04 2.12 2.28 2gvyB1 VAL 191 HG13 -0.42 0.06 -0.05 -0.04 0.97 0.52 2gvyB1 VAL 191 HG23 -0.21 -0.01 -0.04 -0.04 0.95 0.65 2gvyB1 GLY 192 H -0.03 0.39 -0.22 -0.55 8.43 8.02 2gvyB1 GLY 192 HA2 -0.09 0.22 0.45 -0.51 4.01 4.07 2gvyB1 GLY 192 HA3 -0.04 0.05 0.30 -0.51 4.01 3.80 2gvyB1 SER 193 H -0.07 0.50 -0.21 -0.55 8.46 8.13 2gvyB1 SER 193 HA -0.07 -0.01 0.47 -0.75 4.49 4.12 2gvyB1 SER 193 HB2 0.03 0.07 0.14 -0.04 3.95 4.14 2gvyB1 SER 193 HB3 -0.08 0.14 0.20 -0.04 3.93 4.15 2gvyB1 LEU 194 H -0.46 0.64 -0.05 -0.55 8.37 7.96 2gvyB1 LEU 194 HA -0.16 -0.05 0.34 -0.75 4.35 3.73 2gvyB1 LEU 194 HB2 -1.21 0.01 0.09 -0.04 1.64 0.49 2gvyB1 LEU 194 HB3 -0.65 0.14 0.14 -0.04 1.64 1.23 2gvyB1 LEU 194 HG -0.08 -0.01 -0.18 -0.04 1.64 1.33 2gvyB1 LEU 194 HD13 -0.01 -0.02 -0.01 -0.04 0.93 0.85 2gvyB1 LEU 194 HD23 -0.36 -0.01 -0.07 -0.04 0.89 0.41 2gvyB1 VAL 195 H -0.20 0.57 -0.17 -0.55 8.24 7.89 2gvyB1 VAL 195 HA -0.04 -0.09 0.36 -0.75 4.13 3.60 2gvyB1 VAL 195 HB -0.10 0.15 0.21 -0.04 2.12 2.34 2gvyB1 VAL 195 HG13 -0.03 0.10 -0.08 -0.04 0.97 0.92 2gvyB1 VAL 195 HG23 -0.10 -0.00 0.01 -0.04 0.95 0.81 2gvyB1 SER 196 H -0.09 0.54 -0.05 -0.55 8.46 8.31 2gvyB1 SER 196 HA -0.05 0.10 0.63 -0.75 4.49 4.41 2gvyB1 SER 196 HB2 -0.06 -0.08 0.09 -0.04 3.95 3.86 2gvyB1 SER 196 HB3 -0.05 0.07 0.13 -0.04 3.93 4.03 2gvyB1 ASN 197 H -0.18 0.71 -0.09 -0.55 8.53 8.43 2gvyB1 ASN 197 HA -0.23 -0.01 0.34 -0.75 4.76 4.10 2gvyB1 ASN 197 HB2 -0.63 0.05 0.10 -0.04 2.88 2.35 2gvyB1 ASN 197 HB3 -0.74 -0.14 0.02 -0.04 2.79 1.89 2gvyB1 ASN 197 HD21 -0.05 -0.07 -0.02 -0.04 7.03 6.85 2gvyB1 ASN 197 HD22 -0.16 -0.06 -0.04 -0.04 7.74 7.44 2gvyB1 TYR 198 H -0.11 0.53 -0.21 -0.55 8.29 7.96 2gvyB1 TYR 198 HA -0.06 0.15 0.95 -0.75 4.56 4.84 2gvyB1 TYR 198 HB2 -0.11 0.09 0.02 -0.04 3.06 3.02 2gvyB1 TYR 198 HB3 -0.14 -0.07 0.03 -0.04 2.98 2.76 2gvyB1 TYR 198 HD2 -0.13 0.10 -0.03 -0.04 7.15 7.06 2gvyB1 TYR 198 HE2 -0.05 -0.05 -0.00 -0.04 6.85 6.71 2gvyB1 SER 199 H -0.02 0.31 -0.32 -0.55 8.46 7.89 2gvyB1 SER 199 HA 0.04 0.09 0.34 -0.75 4.49 4.20 2gvyB1 SER 199 HB2 0.13 0.04 -0.06 -0.04 3.95 4.02 2gvyB1 SER 199 HB3 0.21 -0.03 0.17 -0.04 3.93 4.23 2gvyB1 ILE 200 H 0.04 0.38 0.05 -0.55 8.25 8.17 2gvyB1 ILE 200 HA 0.10 0.02 0.49 -0.75 4.18 4.03 2gvyB1 ILE 200 HB 0.02 -0.02 0.09 -0.04 1.89 1.94 2gvyB1 ILE 200 HG12 0.03 -0.05 -0.12 -0.04 1.49 1.31 2gvyB1 ILE 200 HG13 0.08 -0.01 -0.24 -0.04 1.21 1.00 2gvyB1 ILE 200 HG23 0.05 -0.03 -0.13 -0.04 0.93 0.77 2gvyB1 ILE 200 HD13 -0.00 -0.02 -0.18 -0.04 0.88 0.63 2gvyB1 ASP 201 H 0.18 0.37 0.41 -0.55 8.40 8.81 2gvyB1 ASP 201 HA 0.02 0.24 0.58 -0.75 4.63 4.71 2gvyB1 ASP 201 HB2 0.18 -0.05 0.12 -0.04 2.71 2.92 2gvyB1 ASP 201 HB3 -0.66 0.01 0.09 -0.04 2.70 2.11 2gvyB1 GLY 202 H 0.22 0.28 0.25 -0.55 8.43 8.63 2gvyB1 GLY 202 HA2 0.02 0.20 0.44 -0.51 4.01 4.16 2gvyB1 GLY 202 HA3 -0.20 -0.02 0.30 -0.51 4.01 3.58 2gvyB1 LEU 203 H -0.33 0.66 0.33 -0.55 8.37 8.48 2gvyB1 LEU 203 HA -0.16 0.16 1.09 -0.75 4.35 4.69 2gvyB1 LEU 203 HB2 -0.14 -0.05 0.02 -0.04 1.64 1.42 2gvyB1 LEU 203 HB3 -0.07 -0.02 -0.05 -0.04 1.64 1.45 2gvyB1 LEU 203 HG -0.06 0.07 -0.31 -0.04 1.64 1.29 2gvyB1 LEU 203 HD13 0.01 -0.01 -0.10 -0.04 0.93 0.79 2gvyB1 LEU 203 HD23 -0.02 0.01 -0.07 -0.04 0.89 0.77 2gvyB1 ARG 204 H -0.36 0.42 0.05 -0.55 8.46 8.02 2gvyB1 ARG 204 HA -0.61 0.33 0.88 -0.75 4.34 4.18 2gvyB1 ARG 204 HB2 -1.40 0.03 -0.08 -0.04 1.90 0.42 2gvyB1 ARG 204 HB3 -1.03 -0.09 0.02 -0.04 1.80 0.66 2gvyB1 ARG 204 HG2 -0.90 0.15 -0.09 -0.04 1.67 0.79 2gvyB1 ARG 204 HG3 -2.64 -0.03 -0.15 -0.04 1.67 -1.18 2gvyB1 ARG 204 HD2 -0.36 -0.05 -0.17 -0.04 3.22 2.61 2gvyB1 ARG 204 HD3 -0.35 -0.02 -0.67 -0.04 3.22 2.14 2gvyB1 ILE 205 H -0.41 0.65 0.15 -0.55 8.25 8.09 2gvyB1 ILE 205 HA -0.16 0.21 0.99 -0.75 4.18 4.46 2gvyB1 ILE 205 HB -0.51 -0.08 -0.00 -0.04 1.89 1.26 2gvyB1 ILE 205 HG12 0.03 0.03 -0.18 -0.04 1.49 1.34 2gvyB1 ILE 205 HG13 -0.21 -0.03 -0.35 -0.04 1.21 0.58 2gvyB1 ILE 205 HG23 -0.48 0.04 -0.09 -0.04 0.93 0.36 2gvyB1 ILE 205 HD13 -0.08 0.02 -0.14 -0.04 0.88 0.64 2gvyB1 ASP 206 H -0.07 0.70 0.41 -0.55 8.40 8.89 2gvyB1 ASP 206 HA -0.07 -0.01 0.51 -0.75 4.63 4.31 2gvyB1 ASP 206 HB2 0.17 0.06 0.06 -0.04 2.71 2.96 2gvyB1 ASP 206 HB3 0.04 -0.06 0.16 -0.04 2.70 2.80 2gvyB1 THR 207 H -0.03 0.10 0.22 -0.55 8.28 8.03 2gvyB1 THR 207 HA 0.13 -0.01 0.37 -0.75 4.39 4.13 2gvyB1 THR 207 HB 0.24 0.06 0.15 -0.04 4.32 4.74 2gvyB1 THR 207 HG23 0.12 0.01 0.05 -0.04 1.22 1.36 2gvyB1 VAL 208 H -0.18 0.50 0.07 -0.55 8.24 8.08 2gvyB1 VAL 208 HA -0.08 0.12 0.14 -0.75 4.13 3.55 2gvyB1 VAL 208 HB -0.50 -0.01 -0.17 -0.04 2.12 1.41 2gvyB1 VAL 208 HG13 -0.91 0.02 -0.14 -0.04 0.97 -0.11 2gvyB1 VAL 208 HG23 -0.89 0.01 -0.14 -0.04 0.95 -0.11 2gvyB1 LYS 209 H -0.20 0.03 -0.04 -0.55 8.42 7.66 2gvyB1 LYS 209 HA -0.18 0.14 0.20 -0.75 4.32 3.73 2gvyB1 LYS 209 HB2 0.09 0.04 0.05 -0.04 1.87 2.01 2gvyB1 LYS 209 HB3 -0.22 -0.10 0.05 -0.04 1.79 1.48 2gvyB1 LYS 209 HG2 -0.33 -0.10 -0.08 -0.04 1.46 0.91 2gvyB1 LYS 209 HG3 -0.46 0.11 -0.36 -0.04 1.46 0.70 2gvyB1 LYS 209 HD2 0.08 0.03 -0.08 -0.04 1.69 1.67 2gvyB1 LYS 209 HD3 0.02 -0.09 -0.14 -0.04 1.68 1.44 2gvyB1 LYS 209 HE2 -0.05 -0.12 0.01 -0.04 2.99 2.79 2gvyB1 LYS 209 HE3 -0.06 0.03 -0.06 -0.04 2.99 2.86 2gvyB1 HIS 210 H 0.13 0.30 -0.64 -0.55 8.41 7.65 2gvyB1 HIS 210 HA 0.10 0.19 0.52 -0.75 4.63 4.68 2gvyB1 HIS 210 HB2 0.10 0.09 0.08 -0.04 3.26 3.49 2gvyB1 HIS 210 HB3 0.09 0.10 0.20 -0.04 3.20 3.54 2gvyB1 HIS 210 HD2 0.05 -0.16 -0.02 -0.04 6.97 6.80 2gvyB1 HIS 210 HE1 0.31 -0.06 -0.03 -0.04 7.75 7.93 2gvyB1 VAL 211 H 0.29 0.48 -0.17 -0.55 8.24 8.29 2gvyB1 VAL 211 HA -0.03 0.12 0.81 -0.75 4.13 4.28 2gvyB1 VAL 211 HB 0.29 0.07 0.09 -0.04 2.12 2.52 2gvyB1 VAL 211 HG13 -1.15 0.01 -0.07 -0.04 0.97 -0.29 2gvyB1 VAL 211 HG23 -0.14 0.01 -0.12 -0.04 0.95 0.66 2gvyB1 GLN 212 H -0.02 0.10 0.05 -0.55 8.47 8.06 2gvyB1 GLN 212 HA 0.10 0.08 0.35 -0.75 4.36 4.14 2gvyB1 GLN 212 HB2 0.04 -0.03 0.07 -0.04 2.15 2.19 2gvyB1 GLN 212 HB3 0.04 0.06 0.08 -0.04 2.02 2.15 2gvyB1 GLN 212 HG2 0.03 -0.20 -0.32 -0.04 2.40 1.87 2gvyB1 GLN 212 HG3 0.03 0.03 -0.07 -0.04 2.39 2.35 2gvyB1 GLN 212 HE21 0.05 0.51 -0.26 -0.04 6.97 7.23 2gvyB1 GLN 212 HE22 0.06 -0.06 -0.15 -0.04 7.69 7.50 2gvyB1 LYS 213 H 0.10 0.12 0.16 -0.55 8.42 8.24 2gvyB1 LYS 213 HA 0.40 0.16 0.30 -0.75 4.32 4.43 2gvyB1 LYS 213 HB2 0.01 -0.06 0.15 -0.04 1.87 1.93 2gvyB1 LYS 213 HB3 0.04 0.06 0.01 -0.04 1.79 1.86 2gvyB1 LYS 213 HG2 -0.12 0.05 0.04 -0.04 1.46 1.38 2gvyB1 LYS 213 HG3 -0.06 -0.00 0.08 -0.04 1.46 1.43 2gvyB1 LYS 213 HD2 -0.19 -0.05 0.00 -0.04 1.69 1.42 2gvyB1 LYS 213 HD3 -0.23 0.05 -0.04 -0.04 1.68 1.42 2gvyB1 LYS 213 HE2 -1.40 0.00 -0.13 -0.04 2.99 1.42 2gvyB1 LYS 213 HE3 -0.82 -0.02 -0.03 -0.04 2.99 2.08 2gvyB1 ASP 214 H 0.06 0.05 -0.21 -0.55 8.40 7.75 2gvyB1 ASP 214 HA 0.07 0.11 0.29 -0.75 4.63 4.35 2gvyB1 ASP 214 HB2 0.04 0.03 0.12 -0.04 2.71 2.86 2gvyB1 ASP 214 HB3 0.04 -0.02 0.07 -0.04 2.70 2.75 2gvyB1 PHE 215 H 0.02 0.44 -0.51 -0.55 8.34 7.74 2gvyB1 PHE 215 HA -0.05 0.08 0.60 -0.75 4.62 4.50 2gvyB1 PHE 215 HB2 -0.34 -0.02 0.03 -0.04 3.15 2.78 2gvyB1 PHE 215 HB3 -0.95 0.15 -0.00 -0.04 3.06 2.22 2gvyB1 PHE 215 HD2 -1.30 0.11 -0.11 -0.04 7.28 5.94 2gvyB1 PHE 215 HE2 -0.58 -0.03 -0.10 -0.04 7.38 6.63 2gvyB1 PHE 215 HZ -0.17 -0.01 -0.05 -0.04 7.32 7.05 2gvyB1 TRP 216 H 0.11 0.54 -0.02 -0.55 7.97 8.06 2gvyB1 TRP 216 HA 0.13 -0.04 0.13 -0.75 4.62 4.08 2gvyB1 TRP 216 HB2 0.10 0.15 0.13 -0.04 3.23 3.57 2gvyB1 TRP 216 HB3 0.07 0.04 -0.04 -0.04 3.23 3.25 2gvyB1 TRP 216 HD1 0.18 -0.02 -0.03 -0.04 7.22 7.30 2gvyB1 TRP 216 HE1 0.05 0.40 0.05 -0.04 10.20 10.65 2gvyB1 TRP 216 HE3 0.02 -0.04 -0.05 -0.04 7.59 7.48 2gvyB1 TRP 216 HZ2 -0.18 0.07 -0.04 -0.04 7.44 7.24 2gvyB1 TRP 216 HZ3 -0.94 -0.02 -0.10 -0.04 7.13 6.03 2gvyB1 TRP 216 HH2 -0.42 -0.13 -0.07 -0.04 7.19 6.54 2gvyB1 PRO 217 HA 0.07 0.18 0.57 -0.51 4.44 4.75 2gvyB1 PRO 217 HB2 0.02 -0.03 0.05 -0.04 2.28 2.27 2gvyB1 PRO 217 HB3 0.03 0.05 0.09 -0.04 2.02 2.15 2gvyB1 PRO 217 HG2 0.06 -0.02 0.06 -0.04 2.03 2.10 2gvyB1 PRO 217 HG3 0.09 0.11 0.15 -0.04 2.03 2.34 2gvyB1 PRO 217 HD2 0.08 0.14 -0.17 -0.04 3.68 3.69 2gvyB1 PRO 217 HD3 0.20 0.29 0.21 -0.04 3.65 4.31 2gvyB1 GLY 218 H -0.06 0.26 -0.25 -0.55 8.43 7.83 2gvyB1 GLY 218 HA2 -0.28 0.03 0.35 -0.51 4.01 3.60 2gvyB1 GLY 218 HA3 -0.46 0.06 0.27 -0.51 4.01 3.37 2gvyB1 TYR 219 H -0.19 0.32 -0.20 -0.55 8.29 7.67 2gvyB1 TYR 219 HA -0.40 0.03 0.53 -0.75 4.56 3.97 2gvyB1 TYR 219 HB2 -0.28 0.07 0.05 -0.04 3.06 2.85 2gvyB1 TYR 219 HB3 0.29 0.08 0.08 -0.04 2.98 3.38 2gvyB1 TYR 219 HD2 0.26 0.02 -0.22 -0.04 7.15 7.17 2gvyB1 TYR 219 HE2 0.17 -0.01 -0.10 -0.04 6.85 6.87 2gvyB1 ASN 220 H 0.16 0.70 0.03 -0.55 8.53 8.87 2gvyB1 ASN 220 HA 0.05 0.00 0.47 -0.75 4.76 4.53 2gvyB1 ASN 220 HB2 0.11 0.11 0.23 -0.04 2.88 3.30 2gvyB1 ASN 220 HB3 0.02 0.09 0.15 -0.04 2.79 3.01 2gvyB1 ASN 220 HD21 -0.05 -0.06 0.13 -0.04 7.03 7.00 2gvyB1 ASN 220 HD22 -0.03 0.03 0.09 -0.04 7.74 7.80 2gvyB1 LYS 221 H -0.09 0.65 -0.11 -0.55 8.42 8.32 2gvyB1 LYS 221 HA -0.05 0.03 0.43 -0.75 4.32 3.98 2gvyB1 LYS 221 HB2 -0.07 0.02 0.08 -0.04 1.87 1.86 2gvyB1 LYS 221 HB3 -0.15 0.03 0.11 -0.04 1.79 1.73 2gvyB1 LYS 221 HG2 -0.06 0.03 -0.16 -0.04 1.46 1.22 2gvyB1 LYS 221 HG3 -0.04 -0.03 0.01 -0.04 1.46 1.36 2gvyB1 LYS 221 HD2 -0.05 -0.02 -0.03 -0.04 1.69 1.54 2gvyB1 LYS 221 HD3 -0.08 -0.00 -0.05 -0.04 1.68 1.51 2gvyB1 LYS 221 HE2 -0.03 0.01 -0.04 -0.04 2.99 2.89 2gvyB1 LYS 221 HE3 -0.02 -0.01 -0.03 -0.04 2.99 2.89 2gvyB1 ALA 222 H -0.27 0.48 -0.18 -0.55 8.40 7.89 2gvyB1 ALA 222 HA -0.11 -0.02 0.39 -0.75 4.34 3.85 2gvyB1 ALA 222 HB3 -0.21 0.03 0.19 -0.04 1.41 1.36 2gvyB1 ALA 223 H -0.19 0.53 -0.25 -0.55 8.40 7.94 2gvyB1 ALA 223 HA -0.15 -0.04 0.21 -0.75 4.34 3.61 2gvyB1 ALA 223 HB3 -0.12 0.00 0.02 -0.04 1.41 1.27 2gvyB1 GLY 224 H -0.07 0.33 -0.44 -0.55 8.43 7.70 2gvyB1 GLY 224 HA2 -0.03 -0.04 0.28 -0.51 4.01 3.71 2gvyB1 GLY 224 HA3 -0.03 0.03 0.37 -0.51 4.01 3.87 2gvyB1 VAL 225 H -0.03 0.15 -0.30 -0.55 8.24 7.52 2gvyB1 VAL 225 HA 0.07 0.21 0.74 -0.75 4.13 4.40 2gvyB1 VAL 225 HB 0.13 0.34 0.05 -0.04 2.12 2.60 2gvyB1 VAL 225 HG13 0.02 0.07 -0.23 -0.04 0.97 0.78 2gvyB1 VAL 225 HG23 -0.03 -0.05 -0.38 -0.04 0.95 0.45 2gvyB1 TYR 226 H 0.24 0.75 0.27 -0.55 8.29 9.00 2gvyB1 TYR 226 HA -0.08 -0.08 0.55 -0.75 4.56 4.20 2gvyB1 TYR 226 HB2 0.08 -0.03 -0.21 -0.04 3.06 2.85 2gvyB1 TYR 226 HB3 -0.53 0.10 0.08 -0.04 2.98 2.59 2gvyB1 TYR 226 HD2 -0.89 -0.06 -0.10 -0.04 7.15 6.06 2gvyB1 TYR 226 HE2 -0.31 0.02 -0.23 -0.04 6.85 6.29 2gvyB1 CYS 227 H -0.48 0.12 0.29 -0.55 8.50 7.88 2gvyB1 CYS 227 HA -0.54 0.25 1.03 -0.75 4.58 4.57 2gvyB1 CYS 227 HB2 -0.23 -0.13 0.22 -0.04 2.97 2.78 2gvyB1 CYS 227 HB3 -0.27 -0.06 -0.05 -0.04 2.97 2.55 2gvyB1 ILE 228 H -0.66 0.74 0.30 -0.55 8.25 8.07 2gvyB1 ILE 228 HA -0.47 0.24 0.78 -0.75 4.18 3.98 2gvyB1 ILE 228 HB -0.44 0.12 -0.17 -0.04 1.89 1.35 2gvyB1 ILE 228 HG12 -0.28 -0.12 -0.52 -0.04 1.49 0.53 2gvyB1 ILE 228 HG13 -0.17 -0.03 -0.50 -0.04 1.21 0.47 2gvyB1 ILE 228 HG23 -0.55 0.01 -0.04 -0.04 0.93 0.31 2gvyB1 ILE 228 HD13 -0.03 0.02 -0.29 -0.04 0.88 0.53 2gvyB1 GLY 229 H -0.31 0.63 0.17 -0.55 8.43 8.38 2gvyB1 GLY 229 HA2 -0.42 0.11 0.73 -0.51 4.01 3.92 2gvyB1 GLY 229 HA3 -0.44 0.06 0.26 -0.51 4.01 3.38 2gvyB1 GLU 230 H -0.30 1.03 0.33 -0.55 8.60 9.11 2gvyB1 GLU 230 HA -0.10 0.08 0.80 -0.75 4.29 4.31 2gvyB1 GLU 230 HB2 -0.15 0.09 0.06 -0.04 2.09 2.05 2gvyB1 GLU 230 HB3 -0.13 -0.20 0.30 -0.04 1.99 1.92 2gvyB1 GLU 230 HG2 -0.00 0.01 -0.26 -0.04 2.34 2.05 2gvyB1 GLU 230 HG3 0.04 0.05 -0.06 -0.04 2.34 2.32 2gvyB1 VAL 231 H -0.04 0.35 0.12 -0.55 8.24 8.11 2gvyB1 VAL 231 HA -0.23 -0.00 0.87 -0.75 4.13 4.01 2gvyB1 VAL 231 HB -0.09 0.07 0.20 -0.04 2.12 2.26 2gvyB1 VAL 231 HG13 -0.16 0.01 -0.10 -0.04 0.97 0.68 2gvyB1 VAL 231 HG23 -0.55 0.01 -0.18 -0.04 0.95 0.20 2gvyB1 LEU 232 H -0.12 0.14 -0.05 -0.55 8.37 7.80 2gvyB1 LEU 232 HA -0.64 0.09 0.26 -0.75 4.35 3.30 2gvyB1 LEU 232 HB2 -0.16 -0.05 0.04 -0.04 1.64 1.43 2gvyB1 LEU 232 HB3 -0.18 0.04 0.18 -0.04 1.64 1.63 2gvyB1 LEU 232 HG -0.48 -0.02 -0.08 -0.04 1.64 1.02 2gvyB1 LEU 232 HD13 -0.15 0.01 -0.02 -0.04 0.93 0.73 2gvyB1 LEU 232 HD23 -0.61 0.01 -0.14 -0.04 0.89 0.12 2gvyB1 ASP 233 H -0.04 0.55 0.24 -0.55 8.40 8.60 2gvyB1 ASP 233 HA -0.07 0.04 0.51 -0.75 4.63 4.36 2gvyB1 ASP 233 HB2 -0.04 0.08 -0.44 -0.04 2.71 2.27 2gvyB1 ASP 233 HB3 0.22 0.02 -0.11 -0.04 2.70 2.79 2gvyB1 GLY 234 H 0.02 0.16 0.06 -0.55 8.43 8.13 2gvyB1 GLY 234 HA2 0.44 0.15 0.19 -0.51 4.01 4.29 2gvyB1 GLY 234 HA3 0.11 0.05 0.25 -0.51 4.01 3.91 2gvyB1 ASP 235 H 0.08 0.05 -0.29 -0.55 8.40 7.69 2gvyB1 ASP 235 HA 0.07 0.25 0.60 -0.75 4.63 4.80 2gvyB1 ASP 235 HB2 0.01 0.05 0.04 -0.04 2.71 2.77 2gvyB1 ASP 235 HB3 0.09 -0.04 0.13 -0.04 2.70 2.84 2gvyB1 PRO 236 HA 0.13 0.05 0.34 -0.51 4.44 4.44 2gvyB1 PRO 236 HB2 0.07 0.11 -0.11 -0.04 2.28 2.32 2gvyB1 PRO 236 HB3 0.09 0.06 0.06 -0.04 2.02 2.19 2gvyB1 PRO 236 HG2 0.06 0.01 0.05 -0.04 2.03 2.11 2gvyB1 PRO 236 HG3 0.07 0.10 0.06 -0.04 2.03 2.22 2gvyB1 PRO 236 HD2 0.07 0.04 0.29 -0.04 3.68 4.04 2gvyB1 PRO 236 HD3 0.10 0.37 0.32 -0.04 3.65 4.40 2gvyB1 ALA 237 H 0.09 0.08 -0.30 -0.55 8.40 7.73 2gvyB1 ALA 237 HA 0.06 0.19 0.47 -0.75 4.34 4.31 2gvyB1 ALA 237 HB3 0.06 0.01 0.02 -0.04 1.41 1.46 2gvyB1 TYR 238 H 0.22 0.18 -0.30 -0.55 8.29 7.85 2gvyB1 TYR 238 HA 0.07 0.17 0.76 -0.75 4.56 4.80 2gvyB1 TYR 238 HB2 0.06 -0.07 0.02 -0.04 3.06 3.03 2gvyB1 TYR 238 HB3 0.07 0.05 0.09 -0.04 2.98 3.15 2gvyB1 TYR 238 HD2 0.07 0.00 -0.16 -0.04 7.15 7.02 2gvyB1 TYR 238 HE2 0.03 -0.05 -0.09 -0.04 6.85 6.70 2gvyB1 THR 239 H 0.24 0.45 0.06 -0.55 8.28 8.49 2gvyB1 THR 239 HA 0.22 0.04 0.40 -0.75 4.39 4.29 2gvyB1 THR 239 HB 0.19 -0.04 0.00 -0.04 4.32 4.43 2gvyB1 THR 239 HG23 0.14 -0.02 -0.02 -0.04 1.22 1.28 2gvyB1 CYS 240 H 0.11 0.53 0.02 -0.55 8.50 8.61 2gvyB1 CYS 240 HA 0.08 0.00 0.22 -0.75 4.58 4.13 2gvyB1 CYS 240 HB2 0.06 0.31 0.12 -0.04 2.97 3.42 2gvyB1 CYS 240 HB3 0.04 0.02 0.05 -0.04 2.97 3.05 2gvyB1 PRO 241 HA -0.04 0.10 0.52 -0.51 4.44 4.51 2gvyB1 PRO 241 HB2 -0.23 0.03 -0.06 -0.04 2.28 1.98 2gvyB1 PRO 241 HB3 -0.11 -0.02 0.09 -0.04 2.02 1.94 2gvyB1 PRO 241 HG2 -0.05 0.18 0.01 -0.04 2.03 2.13 2gvyB1 PRO 241 HG3 -0.02 0.01 0.02 -0.04 2.03 2.00 2gvyB1 PRO 241 HD2 0.03 0.06 -0.91 -0.04 3.68 2.82 2gvyB1 PRO 241 HD3 0.04 0.18 -0.06 -0.04 3.65 3.77 2gvyB1 TYR 242 H 0.14 0.50 -0.48 -0.55 8.29 7.89 2gvyB1 TYR 242 HA -0.04 0.03 0.42 -0.75 4.56 4.21 2gvyB1 TYR 242 HB2 -0.09 0.26 0.11 -0.04 3.06 3.30 2gvyB1 TYR 242 HB3 -0.14 -0.06 -0.00 -0.04 2.98 2.74 2gvyB1 TYR 242 HD2 -0.13 0.12 0.03 -0.04 7.15 7.13 2gvyB1 TYR 242 HE2 -0.34 0.07 -0.06 -0.04 6.85 6.48 2gvyB1 GLN 243 H 0.05 0.51 -0.21 -0.55 8.47 8.28 2gvyB1 GLN 243 HA 0.01 0.24 0.51 -0.75 4.36 4.36 2gvyB1 GLN 243 HB2 0.03 -0.09 0.08 -0.04 2.15 2.13 2gvyB1 GLN 243 HB3 0.02 0.02 0.07 -0.04 2.02 2.08 2gvyB1 GLN 243 HG2 0.02 0.01 0.07 -0.04 2.40 2.46 2gvyB1 GLN 243 HG3 0.02 0.10 -0.17 -0.04 2.39 2.30 2gvyB1 GLN 243 HE21 0.05 0.25 0.05 -0.04 6.97 7.27 2gvyB1 GLN 243 HE22 0.06 0.44 0.18 -0.04 7.69 8.33 2gvyB1 ASN 244 H -0.01 0.48 -0.50 -0.55 8.53 7.95 2gvyB1 ASN 244 HA 0.00 0.14 0.68 -0.75 4.76 4.83 2gvyB1 ASN 244 HB2 -0.04 0.15 0.10 -0.04 2.88 3.05 2gvyB1 ASN 244 HB3 -0.01 -0.08 0.10 -0.04 2.79 2.75 2gvyB1 ASN 244 HD21 -0.02 -0.02 0.03 -0.04 7.03 6.98 2gvyB1 ASN 244 HD22 -0.05 0.00 0.09 -0.04 7.74 7.74 2gvyB1 VAL 245 H 0.03 0.38 -0.27 -0.55 8.24 7.83 2gvyB1 VAL 245 HA 0.06 0.16 0.81 -0.75 4.13 4.40 2gvyB1 VAL 245 HB 0.22 -0.07 0.15 -0.04 2.12 2.38 2gvyB1 VAL 245 HG13 0.05 -0.03 -0.14 -0.04 0.97 0.80 2gvyB1 VAL 245 HG23 0.20 -0.02 0.02 -0.04 0.95 1.11 2gvyB1 MET 246 H 0.01 0.38 0.01 -0.55 8.47 8.33 2gvyB1 MET 246 HA -0.01 0.10 0.78 -0.75 4.52 4.64 2gvyB1 MET 246 HB2 -0.13 -0.05 -0.25 -0.04 2.15 1.67 2gvyB1 MET 246 HB3 -0.13 0.06 -0.08 -0.04 2.03 1.83 2gvyB1 MET 246 HG2 -0.25 0.14 -0.00 -0.04 2.63 2.48 2gvyB1 MET 246 HG3 -0.16 -0.01 0.06 -0.04 2.56 2.41 2gvyB1 MET 246 HE3 -1.01 0.01 -0.09 -0.04 2.10 0.97 2gvyB1 ASP 247 H -0.12 0.07 0.22 -0.55 8.40 8.03 2gvyB1 ASP 247 HA 0.02 0.07 0.34 -0.75 4.63 4.30 2gvyB1 ASP 247 HB2 -0.23 0.11 0.22 -0.04 2.71 2.76 2gvyB1 ASP 247 HB3 0.21 -0.01 0.08 -0.04 2.70 2.94 2gvyB1 GLY 248 H -0.23 0.36 0.18 -0.55 8.43 8.19 2gvyB1 GLY 248 HA2 0.03 0.14 0.75 -0.51 4.01 4.42 2gvyB1 GLY 248 HA3 0.03 0.19 0.37 -0.51 4.01 4.08 2gvyB1 VAL 249 H 0.00 0.27 0.18 -0.55 8.24 8.15 2gvyB1 VAL 249 HA -0.15 -0.00 0.52 -0.75 4.13 3.74 2gvyB1 VAL 249 HB -0.04 -0.03 0.22 -0.04 2.12 2.23 2gvyB1 VAL 249 HG13 -0.08 -0.01 -0.16 -0.04 0.97 0.68 2gvyB1 VAL 249 HG23 0.05 0.02 -0.10 -0.04 0.95 0.88 2gvyB1 LEU 250 H -0.07 0.45 0.22 -0.55 8.37 8.42 2gvyB1 LEU 250 HA 0.04 0.12 0.62 -0.75 4.35 4.38 2gvyB1 LEU 250 HB2 0.04 -0.13 0.11 -0.04 1.64 1.61 2gvyB1 LEU 250 HB3 -0.11 0.04 -0.02 -0.04 1.64 1.51 2gvyB1 LEU 250 HG -0.24 0.06 -0.29 -0.04 1.64 1.13 2gvyB1 LEU 250 HD13 -0.24 -0.04 -0.12 -0.04 0.93 0.49 2gvyB1 LEU 250 HD23 -0.23 0.03 -0.14 -0.04 0.89 0.50 2gvyB1 ASN 251 H 0.24 0.75 0.23 -0.55 8.53 9.21 2gvyB1 ASN 251 HA 0.13 0.13 0.46 -0.75 4.76 4.73 2gvyB1 ASN 251 HB2 0.11 0.11 -0.06 -0.04 2.88 3.00 2gvyB1 ASN 251 HB3 0.05 -0.03 0.20 -0.04 2.79 2.96 2gvyB1 ASN 251 HD21 0.09 0.00 -0.03 -0.04 7.03 7.05 2gvyB1 ASN 251 HD22 0.09 0.18 -0.10 -0.04 7.74 7.87 2gvyB1 TYR 252 H 0.31 0.52 -0.09 -0.55 8.29 8.47 2gvyB1 TYR 252 HA 0.12 0.01 0.55 -0.75 4.56 4.49 2gvyB1 TYR 252 HB2 0.16 0.22 0.17 -0.04 3.06 3.57 2gvyB1 TYR 252 HB3 0.27 -0.02 -0.28 -0.04 2.98 2.90 2gvyB1 TYR 252 HD2 0.03 0.03 -0.09 -0.04 7.15 7.09 2gvyB1 TYR 252 HE2 -0.18 -0.01 -0.15 -0.04 6.85 6.46 2gvyB1 PRO 253 HA 0.24 0.22 0.57 -0.51 4.44 4.97 2gvyB1 PRO 253 HB2 0.12 0.02 0.01 -0.04 2.28 2.38 2gvyB1 PRO 253 HB3 0.13 0.03 0.05 -0.04 2.02 2.19 2gvyB1 PRO 253 HG2 0.14 0.04 -0.02 -0.04 2.03 2.15 2gvyB1 PRO 253 HG3 0.18 -0.03 -0.32 -0.04 2.03 1.82 2gvyB1 PRO 253 HD2 0.18 0.04 0.08 -0.04 3.68 3.94 2gvyB1 PRO 253 HD3 0.27 0.22 0.16 -0.04 3.65 4.26 2gvyB1 ILE 254 H 0.08 0.15 -0.28 -0.55 8.25 7.64 2gvyB1 ILE 254 HA 0.04 0.07 0.55 -0.75 4.18 4.08 2gvyB1 ILE 254 HB 0.05 0.07 0.10 -0.04 1.89 2.08 2gvyB1 ILE 254 HG12 0.09 -0.08 -0.11 -0.04 1.49 1.35 2gvyB1 ILE 254 HG13 0.13 0.09 -0.04 -0.04 1.21 1.35 2gvyB1 ILE 254 HG23 0.09 0.01 -0.13 -0.04 0.93 0.86 2gvyB1 ILE 254 HD13 0.11 -0.00 -0.14 -0.04 0.88 0.80 2gvyB1 TYR 255 H -0.09 0.44 -0.08 -0.55 8.29 8.02 2gvyB1 TYR 255 HA -0.45 0.11 0.36 -0.75 4.56 3.83 2gvyB1 TYR 255 HB2 -1.14 0.04 0.08 -0.04 3.06 2.00 2gvyB1 TYR 255 HB3 -0.50 0.13 0.19 -0.04 2.98 2.75 2gvyB1 TYR 255 HD2 -1.01 0.08 -0.05 -0.04 7.15 6.12 2gvyB1 TYR 255 HE2 -0.03 0.11 -0.14 -0.04 6.85 6.76 2gvyB1 TYR 256 H -0.07 0.35 -0.15 -0.55 8.29 7.88 2gvyB1 TYR 256 HA -0.50 0.02 0.42 -0.75 4.56 3.74 2gvyB1 TYR 256 HB2 -0.02 0.12 0.11 -0.04 3.06 3.23 2gvyB1 TYR 256 HB3 -0.08 -0.06 -0.00 -0.04 2.98 2.80 2gvyB1 TYR 256 HD2 0.07 0.10 0.04 -0.04 7.15 7.32 2gvyB1 TYR 256 HE2 0.28 -0.05 -0.12 -0.04 6.85 6.92 2gvyB1 PRO 257 HA -0.06 -0.01 0.61 -0.51 4.44 4.47 2gvyB1 PRO 257 HB2 -0.05 -0.05 -0.24 -0.04 2.28 1.90 2gvyB1 PRO 257 HB3 -0.01 -0.05 -0.04 -0.04 2.02 1.87 2gvyB1 PRO 257 HG2 -0.03 0.17 0.15 -0.04 2.03 2.28 2gvyB1 PRO 257 HG3 0.03 0.03 0.11 -0.04 2.03 2.15 2gvyB1 PRO 257 HD2 0.09 0.18 -0.03 -0.04 3.68 3.87 2gvyB1 PRO 257 HD3 0.09 0.02 0.12 -0.04 3.65 3.84 2gvyB1 LEU 258 H -0.15 0.73 -0.25 -0.55 8.37 8.15 2gvyB1 LEU 258 HA -0.17 -0.02 0.33 -0.75 4.35 3.73 2gvyB1 LEU 258 HB2 -0.25 0.02 -0.02 -0.04 1.64 1.35 2gvyB1 LEU 258 HB3 -0.19 0.10 0.09 -0.04 1.64 1.60 2gvyB1 LEU 258 HG -0.06 -0.04 -0.32 -0.04 1.64 1.18 2gvyB1 LEU 258 HD13 -0.60 -0.01 -0.05 -0.04 0.93 0.22 2gvyB1 LEU 258 HD23 0.02 0.03 -0.18 -0.04 0.89 0.72 2gvyB1 LEU 259 H -0.29 0.75 0.05 -0.55 8.37 8.32 2gvyB1 LEU 259 HA 0.07 0.01 0.48 -0.75 4.35 4.15 2gvyB1 LEU 259 HB2 -0.44 0.03 0.15 -0.04 1.64 1.34 2gvyB1 LEU 259 HB3 -0.43 0.11 0.20 -0.04 1.64 1.48 2gvyB1 LEU 259 HG -0.42 -0.04 -0.30 -0.04 1.64 0.84 2gvyB1 LEU 259 HD13 -0.29 0.00 0.03 -0.04 0.93 0.62 2gvyB1 LEU 259 HD23 -0.41 -0.01 -0.04 -0.04 0.89 0.39 2gvyB1 ASN 260 H -0.15 0.51 -0.17 -0.55 8.53 8.17 2gvyB1 ASN 260 HA -0.13 0.01 0.39 -0.75 4.76 4.28 2gvyB1 ASN 260 HB2 -0.09 0.09 0.18 -0.04 2.88 3.02 2gvyB1 ASN 260 HB3 -0.09 -0.13 0.03 -0.04 2.79 2.56 2gvyB1 ASN 260 HD21 -0.03 -0.04 -0.02 -0.04 7.03 6.89 2gvyB1 ASN 260 HD22 -0.04 -0.05 -0.02 -0.04 7.74 7.59 2gvyB1 ALA 261 H -0.14 0.61 -0.23 -0.55 8.40 8.10 2gvyB1 ALA 261 HA -0.25 -0.15 0.21 -0.75 4.34 3.40 2gvyB1 ALA 261 HB3 -0.43 0.03 -0.03 -0.04 1.41 0.94 2gvyB1 PHE 262 H 0.08 0.40 -0.25 -0.55 8.34 8.01 2gvyB1 PHE 262 HA 0.08 0.21 0.85 -0.75 4.62 5.01 2gvyB1 PHE 262 HB2 0.12 0.07 0.04 -0.04 3.15 3.34 2gvyB1 PHE 262 HB3 0.17 -0.02 0.10 -0.04 3.06 3.27 2gvyB1 PHE 262 HD2 -0.03 0.13 -0.02 -0.04 7.28 7.32 2gvyB1 PHE 262 HE2 -0.10 -0.03 -0.24 -0.04 7.38 6.98 2gvyB1 PHE 262 HZ 0.03 -0.03 -0.22 -0.04 7.32 7.07 2gvyB1 LYS 263 H 0.06 0.37 -0.04 -0.55 8.42 8.26 2gvyB1 LYS 263 HA -0.16 0.06 0.29 -0.75 4.32 3.75 2gvyB1 LYS 263 HB2 -0.26 -0.06 0.08 -0.04 1.87 1.59 2gvyB1 LYS 263 HB3 -0.28 0.09 0.10 -0.04 1.79 1.65 2gvyB1 LYS 263 HG2 -0.12 0.11 0.08 -0.04 1.46 1.49 2gvyB1 LYS 263 HG3 -0.09 -0.05 -0.27 -0.04 1.46 1.01 2gvyB1 LYS 263 HD2 -0.40 -0.02 -0.05 -0.04 1.69 1.18 2gvyB1 LYS 263 HD3 -0.43 -0.03 -0.16 -0.04 1.68 1.02 2gvyB1 LYS 263 HE2 -0.10 -0.01 -0.01 -0.04 2.99 2.83 2gvyB1 LYS 263 HE3 -0.04 -0.02 -0.06 -0.04 2.99 2.83 2gvyB1 SER 264 H 0.02 0.29 -0.34 -0.55 8.46 7.89 2gvyB1 SER 264 HA 0.04 0.09 0.40 -0.75 4.49 4.26 2gvyB1 SER 264 HB2 0.01 -0.02 0.16 -0.04 3.95 4.06 2gvyB1 SER 264 HB3 -0.01 0.11 -0.21 -0.04 3.93 3.78 2gvyB1 THR 265 H 0.03 0.12 0.13 -0.55 8.28 8.01 2gvyB1 THR 265 HA 0.03 0.46 0.53 -0.75 4.39 4.66 2gvyB1 THR 265 HB 0.03 0.00 0.17 -0.04 4.32 4.47 2gvyB1 THR 265 HG23 0.05 0.01 -0.06 -0.04 1.22 1.18 2gvyB1 SER 266 H -0.01 -0.04 -0.51 -0.55 8.46 7.35 2gvyB1 SER 266 HA -0.03 0.27 0.93 -0.75 4.49 4.91 2gvyB1 SER 266 HB2 -0.02 -0.01 0.14 -0.04 3.95 4.02 2gvyB1 SER 266 HB3 -0.01 -0.04 -0.06 -0.04 3.93 3.78 2gvyB1 GLY 267 H -0.06 0.41 -0.14 -0.55 8.43 8.09 2gvyB1 GLY 267 HA2 -0.07 -0.04 0.34 -0.51 4.01 3.73 2gvyB1 GLY 267 HA3 -0.12 0.29 0.40 -0.51 4.01 4.07 2gvyB1 SER 268 H -0.10 0.11 0.01 -0.55 8.46 7.94 2gvyB1 SER 268 HA -0.09 0.17 0.63 -0.75 4.49 4.44 2gvyB1 SER 268 HB2 -0.06 0.11 0.10 -0.04 3.95 4.06 2gvyB1 SER 268 HB3 -0.07 0.01 0.18 -0.04 3.93 4.01 2gvyB1 MET 269 H -0.11 0.34 0.22 -0.55 8.47 8.37 2gvyB1 MET 269 HA -0.14 0.12 0.48 -0.75 4.52 4.23 2gvyB1 MET 269 HB2 -0.10 0.07 0.10 -0.04 2.15 2.18 2gvyB1 MET 269 HB3 -0.07 0.02 0.02 -0.04 2.03 1.96 2gvyB1 MET 269 HG2 -0.14 0.19 -0.10 -0.04 2.63 2.55 2gvyB1 MET 269 HG3 -0.08 -0.17 -0.25 -0.04 2.56 2.02 2gvyB1 MET 269 HE3 -0.31 0.02 -0.40 -0.04 2.10 1.37 2gvyB1 ASP 270 H -0.08 0.10 -0.08 -0.55 8.40 7.80 2gvyB1 ASP 270 HA -0.07 0.12 0.35 -0.75 4.63 4.28 2gvyB1 ASP 270 HB2 -0.05 -0.04 0.05 -0.04 2.71 2.63 2gvyB1 ASP 270 HB3 -0.04 0.04 -0.10 -0.04 2.70 2.57 2gvyB1 ASP 271 H -0.04 0.13 -0.32 -0.55 8.40 7.63 2gvyB1 ASP 271 HA 0.01 0.07 0.33 -0.75 4.63 4.29 2gvyB1 ASP 271 HB2 -0.04 0.10 0.09 -0.04 2.71 2.82 2gvyB1 ASP 271 HB3 -0.01 0.03 0.00 -0.04 2.70 2.68 2gvyB1 LEU 272 H -0.03 0.27 -0.27 -0.55 8.37 7.79 2gvyB1 LEU 272 HA -0.02 0.04 0.50 -0.75 4.35 4.12 2gvyB1 LEU 272 HB2 -0.12 0.09 -0.02 -0.04 1.64 1.54 2gvyB1 LEU 272 HB3 -0.04 0.09 0.08 -0.04 1.64 1.73 2gvyB1 LEU 272 HG -0.02 0.00 -0.30 -0.04 1.64 1.28 2gvyB1 LEU 272 HD13 -0.28 -0.02 -0.09 -0.04 0.93 0.50 2gvyB1 LEU 272 HD23 -0.20 0.01 -0.10 -0.04 0.89 0.56 2gvyB1 TYR 273 H 0.14 0.71 -0.02 -0.55 8.29 8.56 2gvyB1 TYR 273 HA 0.06 0.04 0.47 -0.75 4.56 4.37 2gvyB1 TYR 273 HB2 -0.01 0.04 0.11 -0.04 3.06 3.16 2gvyB1 TYR 273 HB3 -0.01 0.04 0.16 -0.04 2.98 3.12 2gvyB1 TYR 273 HD2 0.01 0.02 -0.17 -0.04 7.15 6.97 2gvyB1 TYR 273 HE2 0.02 -0.01 -0.20 -0.04 6.85 6.62 2gvyB1 ASN 274 H 0.16 0.45 -0.30 -0.55 8.53 8.29 2gvyB1 ASN 274 HA 0.14 0.04 0.26 -0.75 4.76 4.45 2gvyB1 ASN 274 HB2 0.07 0.05 0.14 -0.04 2.88 3.10 2gvyB1 ASN 274 HB3 0.07 -0.05 0.00 -0.04 2.79 2.77 2gvyB1 ASN 274 HD21 0.03 -0.07 -0.05 -0.04 7.03 6.90 2gvyB1 ASN 274 HD22 0.04 -0.06 -0.07 -0.04 7.74 7.60 2gvyB1 MET 275 H 0.05 0.49 -0.12 -0.55 8.47 8.35 2gvyB1 MET 275 HA 0.05 -0.02 0.64 -0.75 4.52 4.43 2gvyB1 MET 275 HB2 0.04 0.02 0.17 -0.04 2.15 2.34 2gvyB1 MET 275 HB3 0.04 0.07 0.15 -0.04 2.03 2.25 2gvyB1 MET 275 HG2 0.07 0.26 -0.16 -0.04 2.63 2.76 2gvyB1 MET 275 HG3 0.07 -0.07 -0.23 -0.04 2.56 2.29 2gvyB1 MET 275 HE3 0.06 0.01 0.08 -0.04 2.10 2.21 2gvyB1 ILE 276 H 0.05 0.67 -0.09 -0.55 8.25 8.34 2gvyB1 ILE 276 HA 0.08 -0.02 0.41 -0.75 4.18 3.90 2gvyB1 ILE 276 HB -0.00 0.10 0.14 -0.04 1.89 2.09 2gvyB1 ILE 276 HG12 0.29 -0.03 0.00 -0.04 1.49 1.70 2gvyB1 ILE 276 HG13 0.12 0.13 0.06 -0.04 1.21 1.49 2gvyB1 ILE 276 HG23 0.07 -0.00 -0.11 -0.04 0.93 0.84 2gvyB1 ILE 276 HD13 0.27 -0.02 -0.10 -0.04 0.88 0.99 2gvyB1 ASN 277 H -0.04 0.43 -0.22 -0.55 8.53 8.16 2gvyB1 ASN 277 HA -0.01 0.07 0.53 -0.75 4.76 4.60 2gvyB1 ASN 277 HB2 -0.02 0.08 0.16 -0.04 2.88 3.06 2gvyB1 ASN 277 HB3 -0.00 -0.06 0.02 -0.04 2.79 2.71 2gvyB1 ASN 277 HD21 -0.41 0.04 0.04 -0.04 7.03 6.66 2gvyB1 ASN 277 HD22 -0.18 -0.07 -0.01 -0.04 7.74 7.45 2gvyB1 THR 278 H 0.03 0.60 -0.02 -0.55 8.28 8.34 2gvyB1 THR 278 HA 0.02 0.03 0.54 -0.75 4.39 4.23 2gvyB1 THR 278 HB 0.04 0.04 0.20 -0.04 4.32 4.56 2gvyB1 THR 278 HG23 0.04 -0.03 -0.11 -0.04 1.22 1.08 2gvyB1 VAL 279 H 0.04 0.71 -0.06 -0.55 8.24 8.38 2gvyB1 VAL 279 HA 0.04 -0.07 0.41 -0.75 4.13 3.76 2gvyB1 VAL 279 HB 0.06 0.17 0.13 -0.04 2.12 2.43 2gvyB1 VAL 279 HG13 0.06 -0.01 -0.10 -0.04 0.97 0.88 2gvyB1 VAL 279 HG23 0.07 -0.03 0.00 -0.04 0.95 0.95 2gvyB1 LYS 280 H 0.02 0.62 -0.11 -0.55 8.42 8.40 2gvyB1 LYS 280 HA -0.00 -0.06 0.41 -0.75 4.32 3.91 2gvyB1 LYS 280 HB2 0.00 0.05 0.15 -0.04 1.87 2.04 2gvyB1 LYS 280 HB3 -0.01 0.05 0.25 -0.04 1.79 2.04 2gvyB1 LYS 280 HG2 -0.06 -0.02 -0.13 -0.04 1.46 1.21 2gvyB1 LYS 280 HG3 -0.05 -0.07 0.04 -0.04 1.46 1.33 2gvyB1 LYS 280 HD2 -0.00 0.15 0.02 -0.04 1.69 1.82 2gvyB1 LYS 280 HD3 -0.03 -0.08 0.03 -0.04 1.68 1.56 2gvyB1 LYS 280 HE2 -0.18 -0.10 -0.02 -0.04 2.99 2.66 2gvyB1 LYS 280 HE3 -0.12 -0.05 -0.06 -0.04 2.99 2.71 2gvyB1 SER 281 H -0.00 0.41 -0.22 -0.55 8.46 8.11 2gvyB1 SER 281 HA -0.02 0.04 0.34 -0.75 4.49 4.09 2gvyB1 SER 281 HB2 0.00 0.07 0.13 -0.04 3.95 4.11 2gvyB1 SER 281 HB3 -0.01 -0.09 -0.02 -0.04 3.93 3.77 2gvyB1 ASP 282 H 0.01 0.37 -0.04 -0.55 8.40 8.20 2gvyB1 ASP 282 HA 0.01 0.18 0.80 -0.75 4.63 4.86 2gvyB1 ASP 282 HB2 0.03 0.03 -0.01 -0.04 2.71 2.72 2gvyB1 ASP 282 HB3 0.02 -0.09 -0.01 -0.04 2.70 2.58 2gvyB1 CYS 283 H 0.02 0.39 0.05 -0.55 8.50 8.41 2gvyB1 CYS 283 HA 0.03 0.11 0.80 -0.75 4.58 4.76 2gvyB1 CYS 283 HB2 0.03 0.12 0.05 -0.04 2.97 3.14 2gvyB1 CYS 283 HB3 0.04 -0.06 0.02 -0.04 2.97 2.94 2gvyB1 PRO 284 HA 0.00 0.08 0.40 -0.51 4.44 4.41 2gvyB1 PRO 284 HB2 0.02 0.03 -0.01 -0.04 2.28 2.28 2gvyB1 PRO 284 HB3 0.01 0.02 -0.01 -0.04 2.02 2.00 2gvyB1 PRO 284 HG2 0.01 -0.02 -0.10 -0.04 2.03 1.87 2gvyB1 PRO 284 HG3 0.00 0.02 -0.01 -0.04 2.03 2.00 2gvyB1 PRO 284 HD2 0.03 0.05 0.17 -0.04 3.68 3.89 2gvyB1 PRO 284 HD3 0.02 0.14 0.11 -0.04 3.65 3.87 2gvyB1 ASP 285 H 0.02 0.09 -0.37 -0.55 8.40 7.59 2gvyB1 ASP 285 HA 0.01 0.17 0.55 -0.75 4.63 4.60 2gvyB1 ASP 285 HB2 0.02 0.16 -0.14 -0.04 2.71 2.71 2gvyB1 ASP 285 HB3 0.03 0.02 0.07 -0.04 2.70 2.78 2gvyB1 SER 286 H 0.01 0.36 0.03 -0.55 8.46 8.31 2gvyB1 SER 286 HA 0.04 0.00 0.34 -0.75 4.49 4.12 2gvyB1 SER 286 HB2 0.03 -0.02 -0.01 -0.04 3.95 3.91 2gvyB1 SER 286 HB3 0.02 0.12 -0.04 -0.04 3.93 3.99 2gvyB1 THR 287 H 0.01 0.06 -0.45 -0.55 8.28 7.36 2gvyB1 THR 287 HA 0.02 0.08 0.39 -0.75 4.39 4.13 2gvyB1 THR 287 HB 0.01 0.28 0.25 -0.04 4.32 4.81 2gvyB1 THR 287 HG23 -0.02 -0.04 -0.02 -0.04 1.22 1.10 2gvyB1 LEU 288 H 0.05 0.35 -0.38 -0.55 8.37 7.84 2gvyB1 LEU 288 HA 0.06 0.22 0.77 -0.75 4.35 4.65 2gvyB1 LEU 288 HB2 0.08 0.08 0.13 -0.04 1.64 1.89 2gvyB1 LEU 288 HB3 0.18 -0.01 0.15 -0.04 1.64 1.92 2gvyB1 LEU 288 HG 0.04 -0.08 -0.23 -0.04 1.64 1.33 2gvyB1 LEU 288 HD13 0.08 -0.02 -0.01 -0.04 0.93 0.94 2gvyB1 LEU 288 HD23 0.00 0.01 -0.06 -0.04 0.89 0.80 2gvyB1 LEU 289 H 0.07 0.34 -0.18 -0.55 8.37 8.05 2gvyB1 LEU 289 HA 0.08 0.15 1.03 -0.75 4.35 4.85 2gvyB1 LEU 289 HB2 0.07 0.13 0.02 -0.04 1.64 1.83 2gvyB1 LEU 289 HB3 0.08 -0.09 0.07 -0.04 1.64 1.66 2gvyB1 LEU 289 HG 0.06 0.08 0.03 -0.04 1.64 1.77 2gvyB1 LEU 289 HD13 0.07 -0.03 -0.03 -0.04 0.93 0.90 2gvyB1 LEU 289 HD23 0.05 -0.01 -0.05 -0.04 0.89 0.84 2gvyB1 GLY 290 H 0.09 0.26 0.27 -0.55 8.43 8.50 2gvyB1 GLY 290 HA2 0.14 0.37 0.93 -0.51 4.01 4.93 2gvyB1 GLY 290 HA3 0.12 -0.10 0.24 -0.51 4.01 3.75 2gvyB1 THR 291 H 0.16 0.68 0.09 -0.55 8.28 8.66 2gvyB1 THR 291 HA 0.13 -0.04 0.58 -0.75 4.39 4.31 2gvyB1 THR 291 HB 0.11 0.17 0.03 -0.04 4.32 4.59 2gvyB1 THR 291 HG23 0.18 -0.04 -0.11 -0.04 1.22 1.21 2gvyB1 PHE 292 H -0.16 0.25 0.23 -0.55 8.34 8.10 2gvyB1 PHE 292 HA 0.10 0.22 0.68 -0.75 4.62 4.87 2gvyB1 PHE 292 HB2 0.03 -0.04 0.13 -0.04 3.15 3.23 2gvyB1 PHE 292 HB3 0.05 0.13 -0.23 -0.04 3.06 2.97 2gvyB1 PHE 292 HD2 -0.12 0.04 -0.33 -0.04 7.28 6.83 2gvyB1 PHE 292 HE2 -0.82 -0.08 -0.38 -0.04 7.38 6.06 2gvyB1 PHE 292 HZ -2.30 -0.06 -0.21 -0.04 7.32 4.71 2gvyB1 VAL 293 H 0.24 0.14 0.21 -0.55 8.24 8.28 2gvyB1 VAL 293 HA 0.22 0.21 0.70 -0.75 4.13 4.51 2gvyB1 VAL 293 HB 0.06 0.06 -0.12 -0.04 2.12 2.08 2gvyB1 VAL 293 HG13 0.08 -0.02 -0.13 -0.04 0.97 0.86 2gvyB1 VAL 293 HG23 0.13 0.01 0.06 -0.04 0.95 1.11 2gvyB1 GLU 294 H 0.39 0.17 0.16 -0.55 8.60 8.78 2gvyB1 GLU 294 HA 0.33 0.21 0.79 -0.75 4.29 4.87 2gvyB1 GLU 294 HB2 0.30 0.03 -0.17 -0.04 2.09 2.20 2gvyB1 GLU 294 HB3 0.27 -0.07 0.11 -0.04 1.99 2.26 2gvyB1 GLU 294 HG2 0.41 0.03 -0.10 -0.04 2.34 2.63 2gvyB1 GLU 294 HG3 0.34 0.09 0.09 -0.04 2.34 2.82 2gvyB1 ASN 295 H 0.20 0.38 0.10 -0.55 8.53 8.66 2gvyB1 ASN 295 HA -0.27 0.14 0.33 -0.75 4.76 4.20 2gvyB1 ASN 295 HB2 -0.12 -0.08 0.10 -0.04 2.88 2.75 2gvyB1 ASN 295 HB3 -0.27 0.22 -0.13 -0.04 2.79 2.57 2gvyB1 ASN 295 HD21 -0.16 0.03 -0.23 -0.04 7.03 6.63 2gvyB1 ASN 295 HD22 -0.83 0.08 -0.22 -0.04 7.74 6.73 2gvyB1 HIS 296 H 0.50 0.18 0.05 -0.55 8.41 8.60 2gvyB1 HIS 296 HA -0.05 0.26 0.28 -0.75 4.63 4.36 2gvyB1 HIS 296 HB2 -0.02 -0.01 0.05 -0.04 3.26 3.25 2gvyB1 HIS 296 HB3 -0.33 0.05 -0.01 -0.04 3.20 2.87 2gvyB1 HIS 296 HD2 0.19 -0.01 -0.06 -0.04 6.97 7.05 2gvyB1 HIS 296 HE1 -0.12 0.02 -0.09 -0.04 7.75 7.52 2gvyB1 ASP 297 H -0.07 0.00 -0.55 -0.55 8.40 7.24 2gvyB1 ASP 297 HA -0.16 0.18 0.76 -0.75 4.63 4.65 2gvyB1 ASP 297 HB2 -0.14 -0.01 -0.08 -0.04 2.71 2.44 2gvyB1 ASP 297 HB3 -0.13 0.03 0.07 -0.04 2.70 2.63 2gvyB1 ASN 298 H 0.06 0.39 -0.12 -0.55 8.53 8.31 2gvyB1 ASN 298 HA 0.12 0.13 0.57 -0.75 4.76 4.83 2gvyB1 ASN 298 HB2 0.19 -0.04 -0.13 -0.04 2.88 2.87 2gvyB1 ASN 298 HB3 0.33 0.12 0.04 -0.04 2.79 3.24 2gvyB1 ASN 298 HD21 0.30 -0.06 -0.10 -0.04 7.03 7.13 2gvyB1 ASN 298 HD22 0.31 0.03 0.01 -0.04 7.74 8.04 2gvyB1 PRO 299 HA 0.07 0.11 0.31 -0.51 4.44 4.42 2gvyB1 PRO 299 HB2 -0.12 0.11 -0.08 -0.04 2.28 2.14 2gvyB1 PRO 299 HB3 -0.16 -0.00 0.06 -0.04 2.02 1.87 2gvyB1 PRO 299 HG2 0.04 0.08 0.02 -0.04 2.03 2.13 2gvyB1 PRO 299 HG3 0.01 -0.11 0.01 -0.04 2.03 1.90 2gvyB1 PRO 299 HD2 0.31 0.14 0.13 -0.04 3.68 4.22 2gvyB1 PRO 299 HD3 0.14 0.09 0.10 -0.04 3.65 3.94 2gvyB1 ARG 300 H 0.09 0.65 0.17 -0.55 8.46 8.82 2gvyB1 ARG 300 HA 0.28 0.05 0.43 -0.75 4.34 4.34 2gvyB1 ARG 300 HB2 0.11 -0.00 -0.05 -0.04 1.90 1.91 2gvyB1 ARG 300 HB3 0.20 -0.03 0.02 -0.04 1.80 1.95 2gvyB1 ARG 300 HG2 0.25 -0.01 -0.01 -0.04 1.67 1.86 2gvyB1 ARG 300 HG3 0.17 0.09 0.02 -0.04 1.67 1.91 2gvyB1 ARG 300 HD2 0.13 -0.29 -0.34 -0.04 3.22 2.68 2gvyB1 ARG 300 HD3 0.15 0.04 -0.21 -0.04 3.22 3.17 2gvyB1 PHE 301 H 0.40 0.10 0.16 -0.55 8.34 8.45 2gvyB1 PHE 301 HA 0.32 0.13 0.28 -0.75 4.62 4.60 2gvyB1 PHE 301 HB2 0.18 0.04 0.10 -0.04 3.15 3.42 2gvyB1 PHE 301 HB3 0.18 -0.04 0.11 -0.04 3.06 3.27 2gvyB1 PHE 301 HD2 0.14 0.02 -0.09 -0.04 7.28 7.31 2gvyB1 PHE 301 HE2 0.12 -0.02 -0.19 -0.04 7.38 7.24 2gvyB1 PHE 301 HZ 0.16 0.25 -0.37 -0.04 7.32 7.33 2gvyB1 ALA 302 H 0.25 0.15 -0.11 -0.55 8.40 8.15 2gvyB1 ALA 302 HA 0.04 0.41 0.44 -0.75 4.34 4.48 2gvyB1 ALA 302 HB3 -0.12 0.02 -0.08 -0.04 1.41 1.18 2gvyB1 SER 303 H 0.01 0.27 -0.60 -0.55 8.46 7.60 2gvyB1 SER 303 HA -0.11 0.09 0.49 -0.75 4.49 4.21 2gvyB1 SER 303 HB2 -0.17 -0.10 -0.08 -0.04 3.95 3.56 2gvyB1 SER 303 HB3 -0.08 0.00 -0.25 -0.04 3.93 3.56 2gvyB1 TYR 304 H -0.02 0.43 -0.24 -0.55 8.29 7.90 2gvyB1 TYR 304 HA -0.08 0.06 0.79 -0.75 4.56 4.57 2gvyB1 TYR 304 HB2 -0.39 0.21 0.18 -0.04 3.06 3.02 2gvyB1 TYR 304 HB3 -0.18 -0.02 0.07 -0.04 2.98 2.81 2gvyB1 TYR 304 HD2 -0.08 0.06 -0.00 -0.04 7.15 7.09 2gvyB1 TYR 304 HE2 0.05 0.05 -0.12 -0.04 6.85 6.79 2gvyB1 THR 305 H -0.10 0.31 0.01 -0.55 8.28 7.96 2gvyB1 THR 305 HA 0.00 0.07 0.57 -0.75 4.39 4.27 2gvyB1 THR 305 HB -0.01 0.35 0.03 -0.04 4.32 4.64 2gvyB1 THR 305 HG23 -0.12 0.00 -0.03 -0.04 1.22 1.03 2gvyB1 ASN 306 H 0.04 0.14 0.10 -0.55 8.53 8.27 2gvyB1 ASN 306 HA 0.04 0.23 0.80 -0.75 4.76 5.08 2gvyB1 ASN 306 HB2 0.04 -0.02 0.11 -0.04 2.88 2.97 2gvyB1 ASN 306 HB3 0.11 -0.05 0.15 -0.04 2.79 2.96 2gvyB1 ASN 306 HD21 -0.04 0.01 0.01 -0.04 7.03 6.97 2gvyB1 ASN 306 HD22 0.00 -0.05 0.02 -0.04 7.74 7.68 2gvyB1 ASP 307 H 0.15 0.12 -0.31 -0.55 8.40 7.82 2gvyB1 ASP 307 HA 0.13 0.04 0.57 -0.75 4.63 4.62 2gvyB1 ASP 307 HB2 0.11 0.09 0.13 -0.04 2.71 2.99 2gvyB1 ASP 307 HB3 0.17 0.11 0.13 -0.04 2.70 3.07 2gvyB1 ILE 308 H 0.09 0.19 0.29 -0.55 8.25 8.27 2gvyB1 ILE 308 HA -0.09 0.13 0.37 -0.75 4.18 3.83 2gvyB1 ILE 308 HB -0.04 0.11 0.16 -0.04 1.89 2.08 2gvyB1 ILE 308 HG12 -0.08 0.02 0.02 -0.04 1.49 1.41 2gvyB1 ILE 308 HG13 -0.11 -0.02 0.04 -0.04 1.21 1.07 2gvyB1 ILE 308 HG23 0.01 0.01 0.05 -0.04 0.93 0.96 2gvyB1 ILE 308 HD13 -0.49 -0.00 0.02 -0.04 0.88 0.36 2gvyB1 ALA 309 H 0.06 -0.00 -0.07 -0.55 8.40 7.84 2gvyB1 ALA 309 HA 0.02 0.14 0.45 -0.75 4.34 4.20 2gvyB1 ALA 309 HB3 0.06 0.03 -0.06 -0.04 1.41 1.41 2gvyB1 LEU 310 H 0.15 -0.04 -0.25 -0.55 8.37 7.68 2gvyB1 LEU 310 HA 0.21 0.14 0.53 -0.75 4.35 4.47 2gvyB1 LEU 310 HB2 0.34 0.04 0.07 -0.04 1.64 2.05 2gvyB1 LEU 310 HB3 0.48 0.33 0.06 -0.04 1.64 2.47 2gvyB1 LEU 310 HG 0.17 -0.29 0.03 -0.04 1.64 1.51 2gvyB1 LEU 310 HD13 0.15 0.04 -0.14 -0.04 0.93 0.94 2gvyB1 LEU 310 HD23 0.23 0.08 -0.01 -0.04 0.89 1.15 2gvyB1 ALA 311 H 0.21 0.44 -0.16 -0.55 8.40 8.34 2gvyB1 ALA 311 HA -0.39 0.01 0.46 -0.75 4.34 3.67 2gvyB1 ALA 311 HB3 0.13 0.03 0.04 -0.04 1.41 1.57 2gvyB1 LYS 312 H -0.04 0.65 -0.09 -0.55 8.42 8.38 2gvyB1 LYS 312 HA -0.08 -0.00 0.60 -0.75 4.32 4.09 2gvyB1 LYS 312 HB2 -0.03 0.15 0.23 -0.04 1.87 2.18 2gvyB1 LYS 312 HB3 -0.04 -0.01 0.03 -0.04 1.79 1.72 2gvyB1 LYS 312 HG2 -0.04 -0.05 0.03 -0.04 1.46 1.36 2gvyB1 LYS 312 HG3 -0.05 0.11 0.05 -0.04 1.46 1.53 2gvyB1 LYS 312 HD2 -0.01 -0.04 -0.07 -0.04 1.69 1.53 2gvyB1 LYS 312 HD3 -0.02 0.03 0.01 -0.04 1.68 1.66 2gvyB1 LYS 312 HE2 -0.02 0.07 -0.02 -0.04 2.99 2.97 2gvyB1 LYS 312 HE3 -0.03 -0.10 -0.08 -0.04 2.99 2.74 2gvyB1 ASN 313 H -0.11 0.49 -0.13 -0.55 8.53 8.24 2gvyB1 ASN 313 HA -0.17 0.01 0.50 -0.75 4.76 4.35 2gvyB1 ASN 313 HB2 -0.17 0.14 0.27 -0.04 2.88 3.08 2gvyB1 ASN 313 HB3 -0.72 -0.07 -0.00 -0.04 2.79 1.96 2gvyB1 ASN 313 HD21 0.06 0.12 0.12 -0.04 7.03 7.29 2gvyB1 ASN 313 HD22 0.03 0.45 0.22 -0.04 7.74 8.40 2gvyB1 VAL 314 H -0.48 0.54 -0.06 -0.55 8.24 7.69 2gvyB1 VAL 314 HA -0.62 0.05 0.38 -0.75 4.13 3.19 2gvyB1 VAL 314 HB -0.55 0.08 0.07 -0.04 2.12 1.68 2gvyB1 VAL 314 HG13 -1.06 -0.00 0.00 -0.04 0.97 -0.13 2gvyB1 VAL 314 HG23 -0.14 -0.01 -0.08 -0.04 0.95 0.67 2gvyB1 ALA 315 H -0.22 0.53 -0.28 -0.55 8.40 7.88 2gvyB1 ALA 315 HA -0.03 -0.03 0.43 -0.75 4.34 3.95 2gvyB1 ALA 315 HB3 -0.05 0.01 0.06 -0.04 1.41 1.40 2gvyB1 ALA 316 H -0.11 0.49 -0.23 -0.55 8.40 8.00 2gvyB1 ALA 316 HA -0.04 0.04 0.36 -0.75 4.34 3.95 2gvyB1 ALA 316 HB3 -0.05 0.01 0.02 -0.04 1.41 1.36 2gvyB1 PHE 317 H -0.01 0.57 -0.22 -0.55 8.34 8.13 2gvyB1 PHE 317 HA -0.02 0.01 0.36 -0.75 4.62 4.22 2gvyB1 PHE 317 HB2 -0.16 -0.00 0.02 -0.04 3.15 2.97 2gvyB1 PHE 317 HB3 -0.13 0.12 0.04 -0.04 3.06 3.04 2gvyB1 PHE 317 HD2 0.04 0.01 -0.28 -0.04 7.28 7.01 2gvyB1 PHE 317 HE2 0.05 -0.02 -0.14 -0.04 7.38 7.23 2gvyB1 PHE 317 HZ 0.05 -0.02 -0.08 -0.04 7.32 7.22 2gvyB1 ILE 318 H 0.11 0.41 -0.26 -0.55 8.25 7.96 2gvyB1 ILE 318 HA 0.13 -0.03 0.24 -0.75 4.18 3.77 2gvyB1 ILE 318 HB 0.08 0.11 0.06 -0.04 1.89 2.10 2gvyB1 ILE 318 HG12 0.16 -0.11 -0.27 -0.04 1.49 1.22 2gvyB1 ILE 318 HG13 0.16 0.14 -0.06 -0.04 1.21 1.41 2gvyB1 ILE 318 HG23 0.16 0.05 -0.22 -0.04 0.93 0.88 2gvyB1 ILE 318 HD13 0.08 -0.04 -0.09 -0.04 0.88 0.79 2gvyB1 ILE 319 H -0.00 0.37 -0.36 -0.55 8.25 7.71 2gvyB1 ILE 319 HA 0.03 0.07 0.47 -0.75 4.18 4.00 2gvyB1 ILE 319 HB -0.04 0.01 0.06 -0.04 1.89 1.89 2gvyB1 ILE 319 HG12 -0.02 0.02 -0.07 -0.04 1.49 1.38 2gvyB1 ILE 319 HG13 0.05 -0.12 -0.12 -0.04 1.21 0.98 2gvyB1 ILE 319 HG23 -0.06 -0.02 -0.33 -0.04 0.93 0.48 2gvyB1 ILE 319 HD13 -0.06 -0.01 -0.06 -0.04 0.88 0.70 2gvyB1 LEU 320 H -0.09 0.36 -0.20 -0.55 8.37 7.90 2gvyB1 LEU 320 HA 0.05 0.21 0.65 -0.75 4.35 4.50 2gvyB1 LEU 320 HB2 -0.07 0.03 0.01 -0.04 1.64 1.56 2gvyB1 LEU 320 HB3 0.01 -0.09 0.02 -0.04 1.64 1.54 2gvyB1 LEU 320 HG -0.03 -0.03 -0.14 -0.04 1.64 1.40 2gvyB1 LEU 320 HD13 -0.00 -0.05 -0.10 -0.04 0.93 0.74 2gvyB1 LEU 320 HD23 0.03 0.03 -0.10 -0.04 0.89 0.81 2gvyB1 ASN 321 H -0.27 0.29 -0.30 -0.55 8.53 7.71 2gvyB1 ASN 321 HA -0.32 -0.12 0.36 -0.75 4.76 3.93 2gvyB1 ASN 321 HB2 -0.99 0.06 0.01 -0.04 2.88 1.91 2gvyB1 ASN 321 HB3 -0.18 0.11 -0.09 -0.04 2.79 2.59 2gvyB1 ASN 321 HD21 0.13 -0.15 -0.04 -0.04 7.03 6.93 2gvyB1 ASN 321 HD22 0.08 -0.00 -0.08 -0.04 7.74 7.70 2gvyB1 ASP 322 H -0.06 -0.10 0.12 -0.55 8.40 7.81 2gvyB1 ASP 322 HA -0.05 0.14 0.54 -0.75 4.63 4.51 2gvyB1 ASP 322 HB2 0.01 -0.11 -0.00 -0.04 2.71 2.56 2gvyB1 ASP 322 HB3 0.00 0.07 -0.34 -0.04 2.70 2.38 2gvyB1 GLY 323 H 0.02 0.15 0.24 -0.55 8.43 8.30 2gvyB1 GLY 323 HA2 0.06 0.13 0.21 -0.51 4.01 3.90 2gvyB1 GLY 323 HA3 0.06 0.06 0.58 -0.51 4.01 4.21 2gvyB1 ILE 324 H 0.11 0.55 0.32 -0.55 8.25 8.68 2gvyB1 ILE 324 HA 0.14 0.44 0.77 -0.75 4.18 4.78 2gvyB1 ILE 324 HB 0.17 -0.23 -0.01 -0.04 1.89 1.78 2gvyB1 ILE 324 HG12 0.16 0.30 -0.15 -0.04 1.49 1.76 2gvyB1 ILE 324 HG13 0.10 -0.03 -0.19 -0.04 1.21 1.04 2gvyB1 ILE 324 HG23 0.29 0.07 -0.27 -0.04 0.93 0.98 2gvyB1 ILE 324 HD13 0.06 -0.08 -0.25 -0.04 0.88 0.58 2gvyB1 PRO 325 HA 0.16 0.11 0.50 -0.51 4.44 4.69 2gvyB1 PRO 325 HB2 0.22 -0.20 0.05 -0.04 2.28 2.31 2gvyB1 PRO 325 HB3 0.14 -0.08 -0.12 -0.04 2.02 1.92 2gvyB1 PRO 325 HG2 0.08 0.00 0.16 -0.04 2.03 2.23 2gvyB1 PRO 325 HG3 0.08 0.29 0.19 -0.04 2.03 2.55 2gvyB1 PRO 325 HD2 0.15 0.25 0.45 -0.04 3.68 4.49 2gvyB1 PRO 325 HD3 0.11 0.52 0.37 -0.04 3.65 4.61 2gvyB1 ILE 326 H 0.23 0.51 0.24 -0.55 8.25 8.67 2gvyB1 ILE 326 HA 0.24 0.24 0.85 -0.75 4.18 4.76 2gvyB1 ILE 326 HB 0.26 -0.05 0.00 -0.04 1.89 2.07 2gvyB1 ILE 326 HG12 0.28 0.03 -0.23 -0.04 1.49 1.53 2gvyB1 ILE 326 HG13 0.23 0.27 -0.55 -0.04 1.21 1.11 2gvyB1 ILE 326 HG23 0.27 -0.06 -0.22 -0.04 0.93 0.89 2gvyB1 ILE 326 HD13 0.21 -0.05 -0.22 -0.04 0.88 0.78 2gvyB1 ILE 327 H 0.11 0.73 0.27 -0.55 8.25 8.81 2gvyB1 ILE 327 HA 0.15 0.08 0.90 -0.75 4.18 4.56 2gvyB1 ILE 327 HB 0.07 0.07 0.09 -0.04 1.89 2.08 2gvyB1 ILE 327 HG12 0.37 0.04 -0.24 -0.04 1.49 1.62 2gvyB1 ILE 327 HG13 0.55 0.07 -0.08 -0.04 1.21 1.71 2gvyB1 ILE 327 HG23 0.12 -0.04 -0.18 -0.04 0.93 0.79 2gvyB1 ILE 327 HD13 0.15 0.00 -0.03 -0.04 0.88 0.96 2gvyB1 TYR 328 H 0.13 0.12 0.13 -0.55 8.29 8.12 2gvyB1 TYR 328 HA -0.36 0.22 0.89 -0.75 4.56 4.55 2gvyB1 TYR 328 HB2 0.09 0.13 -0.04 -0.04 3.06 3.20 2gvyB1 TYR 328 HB3 0.00 -0.11 -0.05 -0.04 2.98 2.78 2gvyB1 TYR 328 HD2 -0.52 0.07 -0.14 -0.04 7.15 6.52 2gvyB1 TYR 328 HE2 -0.37 0.01 -0.12 -0.04 6.85 6.34 2gvyB1 ALA 329 H -0.80 0.87 0.30 -0.55 8.40 8.23 2gvyB1 ALA 329 HA -0.45 -0.07 0.38 -0.75 4.34 3.44 2gvyB1 ALA 329 HB3 -0.43 0.00 0.11 -0.04 1.41 1.05 2gvyB1 GLY 330 H -0.14 0.07 0.14 -0.55 8.43 7.96 2gvyB1 GLY 330 HA2 -0.88 0.02 0.35 -0.51 4.01 2.99 2gvyB1 GLY 330 HA3 -0.56 0.26 0.75 -0.51 4.01 3.95 2gvyB1 GLN 331 H -0.22 0.88 -0.07 -0.55 8.47 8.52 2gvyB1 GLN 331 HA 0.06 0.06 0.49 -0.75 4.36 4.22 2gvyB1 GLN 331 HB2 0.04 0.09 0.17 -0.04 2.15 2.40 2gvyB1 GLN 331 HB3 0.04 -0.02 0.04 -0.04 2.02 2.04 2gvyB1 GLN 331 HG2 0.08 0.04 -0.14 -0.04 2.40 2.34 2gvyB1 GLN 331 HG3 0.14 -0.04 0.08 -0.04 2.39 2.52 2gvyB1 GLN 331 HE21 0.07 0.04 -0.03 -0.04 6.97 7.01 2gvyB1 GLN 331 HE22 0.01 0.03 -0.04 -0.04 7.69 7.65 2gvyB1 GLU 332 H 0.04 0.07 -0.24 -0.55 8.60 7.91 2gvyB1 GLU 332 HA 0.08 0.14 0.32 -0.75 4.29 4.07 2gvyB1 GLU 332 HB2 0.08 0.09 -0.12 -0.04 2.09 2.09 2gvyB1 GLU 332 HB3 0.14 0.04 -0.04 -0.04 1.99 2.09 2gvyB1 GLU 332 HG2 0.25 0.04 -0.42 -0.04 2.34 2.18 2gvyB1 GLU 332 HG3 0.15 0.15 -0.11 -0.04 2.34 2.49 2gvyB1 GLN 333 H -0.07 0.07 -0.45 -0.55 8.47 7.48 2gvyB1 GLN 333 HA 0.10 0.13 0.74 -0.75 4.36 4.58 2gvyB1 GLN 333 HB2 -0.49 -0.00 0.10 -0.04 2.15 1.72 2gvyB1 GLN 333 HB3 0.02 0.05 0.20 -0.04 2.02 2.24 2gvyB1 GLN 333 HG2 0.08 -0.14 -0.13 -0.04 2.40 2.17 2gvyB1 GLN 333 HG3 -0.04 0.01 0.04 -0.04 2.39 2.36 2gvyB1 GLN 333 HE21 0.32 0.47 -0.00 -0.04 6.97 7.71 2gvyB1 GLN 333 HE22 0.59 -0.07 -0.14 -0.04 7.69 8.02 2gvyB1 HIS 334 H 0.14 0.42 -0.30 -0.55 8.41 8.13 2gvyB1 HIS 334 HA 0.12 0.06 0.33 -0.75 4.63 4.39 2gvyB1 HIS 334 HB2 0.09 -0.11 -0.31 -0.04 3.26 2.89 2gvyB1 HIS 334 HB3 0.11 0.10 0.06 -0.04 3.20 3.43 2gvyB1 HIS 334 HD2 0.08 -0.01 0.04 -0.04 6.97 7.03 2gvyB1 HIS 334 HE1 0.20 0.05 -0.17 -0.04 7.75 7.78 2gvyB1 TYR 335 H 0.16 0.37 -0.22 -0.55 8.29 8.04 2gvyB1 TYR 335 HA -0.03 0.08 0.41 -0.75 4.56 4.27 2gvyB1 TYR 335 HB2 -0.04 -0.00 -0.10 -0.04 3.06 2.88 2gvyB1 TYR 335 HB3 -0.06 -0.10 -0.07 -0.04 2.98 2.71 2gvyB1 TYR 335 HD2 -0.09 0.08 -0.13 -0.04 7.15 6.98 2gvyB1 TYR 335 HE2 -0.14 0.06 -0.26 -0.04 6.85 6.46 2gvyB1 ALA 336 H -0.04 0.09 0.11 -0.55 8.40 8.01 2gvyB1 ALA 336 HA 0.01 0.05 0.59 -0.75 4.34 4.24 2gvyB1 ALA 336 HB3 -0.08 0.06 -0.18 -0.04 1.41 1.17 2gvyB1 GLY 337 H -0.01 0.04 -0.02 -0.55 8.43 7.89 2gvyB1 GLY 337 HA2 -0.06 -0.00 0.36 -0.51 4.01 3.80 2gvyB1 GLY 337 HA3 -0.03 0.31 0.21 -0.51 4.01 3.99 2gvyB1 GLY 338 H -0.04 0.06 0.06 -0.55 8.43 7.96 2gvyB1 GLY 338 HA2 -0.06 0.14 0.65 -0.51 4.01 4.23 2gvyB1 GLY 338 HA3 -0.06 0.03 0.37 -0.51 4.01 3.85 2gvyB1 ASN 339 H -0.02 0.13 0.05 -0.55 8.53 8.14 2gvyB1 ASN 339 HA 0.03 0.10 0.07 -0.75 4.76 4.21 2gvyB1 ASN 339 HB2 -0.01 -0.02 0.03 -0.04 2.88 2.85 2gvyB1 ASN 339 HB3 -0.01 0.12 -0.08 -0.04 2.79 2.78 2gvyB1 ASN 339 HD21 0.05 0.04 0.00 -0.04 7.03 7.07 2gvyB1 ASN 339 HD22 0.00 -0.01 0.01 -0.04 7.74 7.70 2gvyB1 ASP 340 H 0.00 0.18 -0.05 -0.55 8.40 7.99 2gvyB1 ASP 340 HA 0.03 -0.13 0.33 -0.75 4.63 4.11 2gvyB1 ASP 340 HB2 -0.03 0.20 0.12 -0.04 2.71 2.95 2gvyB1 ASP 340 HB3 -0.05 -0.02 0.08 -0.04 2.70 2.67 2gvyB1 PRO 341 HA 0.07 0.01 0.27 -0.51 4.44 4.28 2gvyB1 PRO 341 HB2 0.04 0.09 0.05 -0.04 2.28 2.41 2gvyB1 PRO 341 HB3 0.10 0.06 0.05 -0.04 2.02 2.19 2gvyB1 PRO 341 HG2 0.01 -0.09 -0.22 -0.04 2.03 1.68 2gvyB1 PRO 341 HG3 0.03 0.13 0.02 -0.04 2.03 2.17 2gvyB1 PRO 341 HD2 0.00 0.06 0.04 -0.04 3.68 3.75 2gvyB1 PRO 341 HD3 0.01 0.14 0.40 -0.04 3.65 4.16 2gvyB1 ALA 342 H 0.01 0.72 0.03 -0.55 8.40 8.61 2gvyB1 ALA 342 HA -0.03 -0.00 0.08 -0.75 4.34 3.64 2gvyB1 ALA 342 HB3 -0.03 0.01 -0.04 -0.04 1.41 1.32 2gvyB1 ASN 343 H 0.05 0.08 -0.61 -0.55 8.53 7.52 2gvyB1 ASN 343 HA 0.08 0.06 0.72 -0.75 4.76 4.87 2gvyB1 ASN 343 HB2 0.26 -0.01 0.09 -0.04 2.88 3.18 2gvyB1 ASN 343 HB3 0.12 0.16 -0.09 -0.04 2.79 2.94 2gvyB1 ASN 343 HD21 0.04 -0.16 -0.52 -0.04 7.03 6.35 2gvyB1 ASN 343 HD22 0.11 0.86 -0.08 -0.04 7.74 8.59 2gvyB1 ARG 344 H 0.06 0.41 -0.42 -0.55 8.46 7.96 2gvyB1 ARG 344 HA 0.18 0.19 0.75 -0.75 4.34 4.71 2gvyB1 ARG 344 HB2 0.11 0.17 0.09 -0.04 1.90 2.23 2gvyB1 ARG 344 HB3 0.17 -0.07 0.12 -0.04 1.80 1.99 2gvyB1 ARG 344 HG2 0.35 -0.06 -0.03 -0.04 1.67 1.88 2gvyB1 ARG 344 HG3 0.24 0.06 -0.15 -0.04 1.67 1.78 2gvyB1 ARG 344 HD2 0.13 -0.14 -0.20 -0.04 3.22 2.96 2gvyB1 ARG 344 HD3 0.22 -0.00 -0.01 -0.04 3.22 3.39 2gvyB1 GLU 345 H -0.01 0.10 -0.44 -0.55 8.60 7.70 2gvyB1 GLU 345 HA -0.20 0.01 0.36 -0.75 4.29 3.71 2gvyB1 GLU 345 HB2 -0.06 0.00 -0.13 -0.04 2.09 1.86 2gvyB1 GLU 345 HB3 -0.43 0.05 -0.01 -0.04 1.99 1.56 2gvyB1 GLU 345 HG2 -0.42 -0.02 0.05 -0.04 2.34 1.90 2gvyB1 GLU 345 HG3 -0.18 0.03 0.06 -0.04 2.34 2.21 2gvyB1 ALA 346 H -0.41 0.11 0.16 -0.55 8.40 7.72 2gvyB1 ALA 346 HA -0.59 0.30 0.59 -0.75 4.34 3.89 2gvyB1 ALA 346 HB3 -1.70 -0.01 0.08 -0.04 1.41 -0.26 2gvyB1 THR 347 H -0.27 0.64 0.38 -0.55 8.28 8.48 2gvyB1 THR 347 HA -0.13 0.03 0.37 -0.75 4.39 3.90 2gvyB1 THR 347 HB -0.09 0.25 0.17 -0.04 4.32 4.61 2gvyB1 THR 347 HG23 0.12 -0.03 0.01 -0.04 1.22 1.27 2gvyB1 TRP 348 H -0.38 0.14 -0.18 -0.55 7.97 7.00 2gvyB1 TRP 348 HA -1.27 0.08 0.15 -0.75 4.62 2.83 2gvyB1 TRP 348 HB2 -0.14 0.16 0.14 -0.04 3.23 3.35 2gvyB1 TRP 348 HB3 -0.10 0.00 0.06 -0.04 3.23 3.15 2gvyB1 TRP 348 HD1 -0.09 -0.09 -0.55 -0.04 7.22 6.46 2gvyB1 TRP 348 HE1 -0.05 0.62 -0.15 -0.04 10.20 10.58 2gvyB1 TRP 348 HE3 -0.07 0.10 -0.71 -0.04 7.59 6.87 2gvyB1 TRP 348 HZ2 -0.03 0.14 -0.16 -0.04 7.44 7.35 2gvyB1 TRP 348 HZ3 0.01 -0.14 -0.57 -0.04 7.13 6.39 2gvyB1 TRP 348 HH2 0.00 -0.03 -0.26 -0.04 7.19 6.87 2gvyB1 LEU 349 H -0.47 0.22 -0.60 -0.55 8.37 6.98 2gvyB1 LEU 349 HA 0.03 0.27 0.23 -0.75 4.35 4.12 2gvyB1 LEU 349 HB2 -0.26 0.13 0.02 -0.04 1.64 1.48 2gvyB1 LEU 349 HB3 -0.12 -0.01 0.02 -0.04 1.64 1.49 2gvyB1 LEU 349 HG -0.64 -0.08 -0.13 -0.04 1.64 0.75 2gvyB1 LEU 349 HD13 -0.24 -0.05 0.03 -0.04 0.93 0.63 2gvyB1 LEU 349 HD23 0.12 0.08 -0.29 -0.04 0.89 0.76 2gvyB1 SER 350 H -0.14 0.37 -0.28 -0.55 8.46 7.87 2gvyB1 SER 350 HA 0.04 0.07 0.59 -0.75 4.49 4.44 2gvyB1 SER 350 HB2 0.02 -0.02 0.15 -0.04 3.95 4.06 2gvyB1 SER 350 HB3 0.02 -0.02 0.16 -0.04 3.93 4.05 2gvyB1 GLY 351 H -0.19 0.51 -0.35 -0.55 8.43 7.85 2gvyB1 GLY 351 HA2 -0.03 0.04 0.34 -0.51 4.01 3.86 2gvyB1 GLY 351 HA3 -0.01 0.09 0.69 -0.51 4.01 4.28 2gvyB1 TYR 352 H -0.30 0.01 -0.31 -0.55 8.29 7.13 2gvyB1 TYR 352 HA -0.14 -0.02 0.21 -0.75 4.56 3.85 2gvyB1 TYR 352 HB2 -0.16 0.20 0.08 -0.04 3.06 3.14 2gvyB1 TYR 352 HB3 -0.59 -0.03 0.13 -0.04 2.98 2.44 2gvyB1 TYR 352 HD2 -0.68 0.04 -0.17 -0.04 7.15 6.29 2gvyB1 TYR 352 HE2 -0.53 0.01 -0.10 -0.04 6.85 6.19 2gvyB1 PRO 353 HA 0.03 0.10 0.41 -0.51 4.44 4.47 2gvyB1 PRO 353 HB2 0.02 -0.18 0.00 -0.04 2.28 2.08 2gvyB1 PRO 353 HB3 0.03 0.11 0.06 -0.04 2.02 2.18 2gvyB1 PRO 353 HG2 0.10 -0.08 0.11 -0.04 2.03 2.12 2gvyB1 PRO 353 HG3 0.06 0.12 0.08 -0.04 2.03 2.25 2gvyB1 PRO 353 HD2 0.07 -0.06 0.01 -0.04 3.68 3.66 2gvyB1 PRO 353 HD3 0.03 0.36 -0.26 -0.04 3.65 3.74 2gvyB1 THR 354 H -0.11 0.19 0.20 -0.55 8.28 8.00 2gvyB1 THR 354 HA -1.33 0.20 0.75 -0.75 4.39 3.25 2gvyB1 THR 354 HB -0.68 0.07 0.16 -0.04 4.32 3.83 2gvyB1 THR 354 HG23 -0.21 0.04 0.01 -0.04 1.22 1.02 2gvyB1 ASP 355 H -0.10 -0.02 -0.33 -0.55 8.40 7.40 2gvyB1 ASP 355 HA -0.05 0.31 0.85 -0.75 4.63 4.98 2gvyB1 ASP 355 HB2 -0.02 0.03 0.11 -0.04 2.71 2.80 2gvyB1 ASP 355 HB3 -0.04 0.00 -0.06 -0.04 2.70 2.56 2gvyB1 SER 356 H 0.01 0.16 -0.24 -0.55 8.46 7.84 2gvyB1 SER 356 HA 0.04 0.11 0.51 -0.75 4.49 4.40 2gvyB1 SER 356 HB2 0.08 -0.02 0.16 -0.04 3.95 4.14 2gvyB1 SER 356 HB3 0.08 0.07 0.11 -0.04 3.93 4.15 2gvyB1 GLU 357 H 0.03 0.14 0.18 -0.55 8.60 8.41 2gvyB1 GLU 357 HA 0.02 0.16 0.29 -0.75 4.29 4.00 2gvyB1 GLU 357 HB2 -0.03 -0.04 0.15 -0.04 2.09 2.12 2gvyB1 GLU 357 HB3 -0.02 0.03 0.03 -0.04 1.99 1.99 2gvyB1 GLU 357 HG2 0.01 0.06 0.08 -0.04 2.34 2.44 2gvyB1 GLU 357 HG3 0.00 -0.01 0.10 -0.04 2.34 2.39 2gvyB1 LEU 358 H 0.03 0.11 -0.10 -0.55 8.37 7.86 2gvyB1 LEU 358 HA -0.01 0.10 0.51 -0.75 4.35 4.20 2gvyB1 LEU 358 HB2 0.04 0.07 0.10 -0.04 1.64 1.81 2gvyB1 LEU 358 HB3 0.04 -0.03 0.01 -0.04 1.64 1.62 2gvyB1 LEU 358 HG -0.00 0.03 -0.05 -0.04 1.64 1.58 2gvyB1 LEU 358 HD13 -0.07 -0.03 -0.16 -0.04 0.93 0.63 2gvyB1 LEU 358 HD23 -0.02 0.05 0.02 -0.04 0.89 0.90 2gvyB1 TYR 359 H 0.17 0.09 -0.20 -0.55 8.29 7.80 2gvyB1 TYR 359 HA -0.01 0.01 0.48 -0.75 4.56 4.28 2gvyB1 TYR 359 HB2 0.02 -0.02 0.05 -0.04 3.06 3.08 2gvyB1 TYR 359 HB3 -0.00 0.07 -0.09 -0.04 2.98 2.92 2gvyB1 TYR 359 HD2 -0.10 -0.02 -0.22 -0.04 7.15 6.77 2gvyB1 TYR 359 HE2 -0.67 0.06 -0.10 -0.04 6.85 6.10 2gvyB1 LYS 360 H 0.13 0.40 -0.35 -0.55 8.42 8.04 2gvyB1 LYS 360 HA 0.10 0.11 0.34 -0.75 4.32 4.11 2gvyB1 LYS 360 HB2 0.04 0.06 0.07 -0.04 1.87 2.00 2gvyB1 LYS 360 HB3 0.02 -0.01 -0.01 -0.04 1.79 1.75 2gvyB1 LYS 360 HG2 0.11 0.06 -0.03 -0.04 1.46 1.56 2gvyB1 LYS 360 HG3 0.06 0.06 -0.13 -0.04 1.46 1.41 2gvyB1 LYS 360 HD2 0.01 -0.03 -0.03 -0.04 1.69 1.61 2gvyB1 LYS 360 HD3 0.02 -0.00 -0.00 -0.04 1.68 1.65 2gvyB1 LYS 360 HE2 0.00 0.06 0.05 -0.04 2.99 3.06 2gvyB1 LYS 360 HE3 -0.00 -0.06 0.01 -0.04 2.99 2.90 2gvyB1 LEU 361 H 0.00 0.41 -0.01 -0.55 8.37 8.22 2gvyB1 LEU 361 HA -0.04 0.06 0.57 -0.75 4.35 4.18 2gvyB1 LEU 361 HB2 -0.03 0.03 0.17 -0.04 1.64 1.77 2gvyB1 LEU 361 HB3 -0.03 -0.01 0.21 -0.04 1.64 1.77 2gvyB1 LEU 361 HG -0.05 -0.08 0.08 -0.04 1.64 1.54 2gvyB1 LEU 361 HD13 -0.06 0.00 -0.34 -0.04 0.93 0.50 2gvyB1 LEU 361 HD23 -0.04 -0.00 0.04 -0.04 0.89 0.84 2gvyB1 ILE 362 H -0.07 0.59 -0.13 -0.55 8.25 8.10 2gvyB1 ILE 362 HA -0.11 -0.03 0.32 -0.75 4.18 3.61 2gvyB1 ILE 362 HB -0.15 0.12 0.19 -0.04 1.89 2.01 2gvyB1 ILE 362 HG12 0.01 -0.01 -0.02 -0.04 1.49 1.42 2gvyB1 ILE 362 HG13 -0.03 -0.05 0.04 -0.04 1.21 1.13 2gvyB1 ILE 362 HG23 -0.22 0.03 -0.08 -0.04 0.93 0.62 2gvyB1 ILE 362 HD13 0.08 -0.03 -0.10 -0.04 0.88 0.79 2gvyB1 ALA 363 H -0.16 0.44 -0.16 -0.55 8.40 7.98 2gvyB1 ALA 363 HA -0.25 0.21 0.33 -0.75 4.34 3.88 2gvyB1 ALA 363 HB3 -0.09 0.02 0.16 -0.04 1.41 1.45 2gvyB1 SER 364 H -0.09 0.47 -0.20 -0.55 8.46 8.09 2gvyB1 SER 364 HA -0.09 0.01 0.43 -0.75 4.49 4.08 2gvyB1 SER 364 HB2 -0.07 -0.03 0.02 -0.04 3.95 3.83 2gvyB1 SER 364 HB3 -0.06 0.00 0.17 -0.04 3.93 4.00 2gvyB1 ALA 365 H -0.10 0.62 0.02 -0.55 8.40 8.40 2gvyB1 ALA 365 HA -0.09 -0.01 0.56 -0.75 4.34 4.04 2gvyB1 ALA 365 HB3 -0.08 -0.00 0.04 -0.04 1.41 1.33 2gvyB1 ASN 366 H -0.19 0.76 -0.02 -0.55 8.53 8.54 2gvyB1 ASN 366 HA -0.16 0.02 0.46 -0.75 4.76 4.33 2gvyB1 ASN 366 HB2 -0.32 0.30 0.22 -0.04 2.88 3.04 2gvyB1 ASN 366 HB3 -0.26 0.03 0.08 -0.04 2.79 2.60 2gvyB1 ASN 366 HD21 -1.32 -0.22 -0.19 -0.04 7.03 5.26 2gvyB1 ASN 366 HD22 -0.88 0.49 -0.09 -0.04 7.74 7.22 2gvyB1 ALA 367 H -0.15 0.38 -0.45 -0.55 8.40 7.64 2gvyB1 ALA 367 HA -0.11 0.01 0.27 -0.75 4.34 3.75 2gvyB1 ALA 367 HB3 -0.11 0.03 0.12 -0.04 1.41 1.41 2gvyB1 ILE 368 H -0.14 0.49 -0.13 -0.55 8.25 7.92 2gvyB1 ILE 368 HA -0.20 0.01 0.49 -0.75 4.18 3.72 2gvyB1 ILE 368 HB -0.18 -0.02 0.07 -0.04 1.89 1.72 2gvyB1 ILE 368 HG12 -0.23 -0.04 -0.09 -0.04 1.49 1.09 2gvyB1 ILE 368 HG13 -0.35 0.03 -0.10 -0.04 1.21 0.75 2gvyB1 ILE 368 HG23 -0.11 0.03 0.01 -0.04 0.93 0.81 2gvyB1 ILE 368 HD13 -0.80 -0.02 -0.00 -0.04 0.88 0.02 2gvyB1 ARG 369 H -0.15 0.50 -0.22 -0.55 8.46 8.04 2gvyB1 ARG 369 HA -0.37 -0.01 0.42 -0.75 4.34 3.63 2gvyB1 ARG 369 HB2 -0.09 0.00 0.04 -0.04 1.90 1.81 2gvyB1 ARG 369 HB3 -0.12 0.04 0.16 -0.04 1.80 1.84 2gvyB1 ARG 369 HG2 -0.10 -0.02 -0.21 -0.04 1.67 1.30 2gvyB1 ARG 369 HG3 -0.08 -0.08 0.03 -0.04 1.67 1.50 2gvyB1 ARG 369 HD2 0.05 0.33 0.08 -0.04 3.22 3.65 2gvyB1 ARG 369 HD3 -0.00 -0.11 0.02 -0.04 3.22 3.08 2gvyB1 ASN 370 H -0.14 0.77 -0.02 -0.55 8.53 8.59 2gvyB1 ASN 370 HA -0.13 0.06 0.46 -0.75 4.76 4.40 2gvyB1 ASN 370 HB2 -0.10 0.07 0.17 -0.04 2.88 2.98 2gvyB1 ASN 370 HB3 -0.09 -0.09 0.02 -0.04 2.79 2.58 2gvyB1 ASN 370 HD21 -0.13 0.38 0.10 -0.04 7.03 7.33 2gvyB1 ASN 370 HD22 -0.11 -0.14 -0.01 -0.04 7.74 7.44 2gvyB1 TYR 371 H -0.05 0.62 -0.14 -0.55 8.29 8.16 2gvyB1 TYR 371 HA -0.14 -0.01 0.49 -0.75 4.56 4.16 2gvyB1 TYR 371 HB2 -0.17 0.02 0.15 -0.04 3.06 3.02 2gvyB1 TYR 371 HB3 -0.29 0.05 0.18 -0.04 2.98 2.88 2gvyB1 TYR 371 HD2 -0.25 0.00 -0.06 -0.04 7.15 6.80 2gvyB1 TYR 371 HE2 0.08 0.04 -0.05 -0.04 6.85 6.88 2gvyB1 ALA 372 H -0.23 0.72 -0.06 -0.55 8.40 8.28 2gvyB1 ALA 372 HA -0.18 -0.03 0.36 -0.75 4.34 3.73 2gvyB1 ALA 372 HB3 -0.47 0.01 0.14 -0.04 1.41 1.06 2gvyB1 ILE 373 H -0.32 0.67 -0.20 -0.55 8.25 7.86 2gvyB1 ILE 373 HA -0.08 -0.02 0.47 -0.75 4.18 3.80 2gvyB1 ILE 373 HB -0.14 0.17 0.18 -0.04 1.89 2.07 2gvyB1 ILE 373 HG12 0.13 -0.18 0.05 -0.04 1.49 1.45 2gvyB1 ILE 373 HG13 -0.35 0.07 0.09 -0.04 1.21 0.97 2gvyB1 ILE 373 HG23 -0.03 -0.03 -0.07 -0.04 0.93 0.76 2gvyB1 ILE 373 HD13 0.02 0.00 0.02 -0.04 0.88 0.88 2gvyB1 SER 374 H -0.22 0.50 -0.28 -0.55 8.46 7.92 2gvyB1 SER 374 HA -0.12 -0.03 0.25 -0.75 4.49 3.84 2gvyB1 SER 374 HB2 -0.14 -0.13 0.13 -0.04 3.95 3.78 2gvyB1 SER 374 HB3 -0.16 0.14 0.19 -0.04 3.93 4.05 2gvyB1 LYS 375 H -0.23 0.38 -0.54 -0.55 8.42 7.48 2gvyB1 LYS 375 HA -0.12 0.10 0.71 -0.75 4.32 4.25 2gvyB1 LYS 375 HB2 -0.16 0.08 0.04 -0.04 1.87 1.79 2gvyB1 LYS 375 HB3 -0.09 -0.11 0.14 -0.04 1.79 1.68 2gvyB1 LYS 375 HG2 -0.81 0.18 -0.04 -0.04 1.46 0.75 2gvyB1 LYS 375 HG3 -0.46 0.02 -0.00 -0.04 1.46 0.98 2gvyB1 LYS 375 HD2 -0.12 -0.07 0.01 -0.04 1.69 1.46 2gvyB1 LYS 375 HD3 -0.21 0.06 -0.28 -0.04 1.68 1.21 2gvyB1 LYS 375 HE2 -0.09 -0.05 -0.04 -0.04 2.99 2.76 2gvyB1 LYS 375 HE3 -0.40 0.01 -0.04 -0.04 2.99 2.52 2gvyB1 ASP 376 H -0.06 0.49 -0.22 -0.55 8.40 8.07 2gvyB1 ASP 376 HA 0.02 0.04 0.91 -0.75 4.63 4.85 2gvyB1 ASP 376 HB2 0.06 0.09 -0.10 -0.04 2.71 2.71 2gvyB1 ASP 376 HB3 0.07 0.25 0.18 -0.04 2.70 3.15 2gvyB1 THR 377 H 0.02 0.20 0.08 -0.55 8.28 8.02 2gvyB1 THR 377 HA 0.03 0.19 0.49 -0.75 4.39 4.35 2gvyB1 THR 377 HB 0.02 0.01 0.10 -0.04 4.32 4.40 2gvyB1 THR 377 HG23 -0.00 0.03 0.06 -0.04 1.22 1.26 2gvyB1 GLY 378 H 0.07 0.05 -0.40 -0.55 8.43 7.60 2gvyB1 GLY 378 HA2 0.07 0.13 0.51 -0.51 4.01 4.21 2gvyB1 GLY 378 HA3 0.09 -0.02 0.23 -0.51 4.01 3.81 2gvyB1 PHE 379 H 0.20 0.66 -0.21 -0.55 8.34 8.44 2gvyB1 PHE 379 HA 0.02 -0.12 0.26 -0.75 4.62 4.03 2gvyB1 PHE 379 HB2 0.00 0.02 0.08 -0.04 3.15 3.21 2gvyB1 PHE 379 HB3 0.00 0.07 0.10 -0.04 3.06 3.19 2gvyB1 PHE 379 HD2 0.00 -0.05 -0.12 -0.04 7.28 7.08 2gvyB1 PHE 379 HE2 0.00 0.09 -0.03 -0.04 7.38 7.40 2gvyB1 PHE 379 HZ -0.01 0.04 -0.03 -0.04 7.32 7.28 2gvyB1 VAL 380 H 0.18 0.16 -0.10 -0.55 8.24 7.93 2gvyB1 VAL 380 HA -0.02 0.21 0.41 -0.75 4.13 3.97 2gvyB1 VAL 380 HB 0.07 0.10 0.03 -0.04 2.12 2.27 2gvyB1 VAL 380 HG13 0.19 0.01 -0.06 -0.04 0.97 1.07 2gvyB1 VAL 380 HG23 0.06 -0.01 -0.11 -0.04 0.95 0.85 2gvyB1 THR 381 H 0.04 0.08 -0.48 -0.55 8.28 7.37 2gvyB1 THR 381 HA -0.00 0.16 0.75 -0.75 4.39 4.54 2gvyB1 THR 381 HB -0.00 -0.06 0.08 -0.04 4.32 4.30 2gvyB1 THR 381 HG23 0.02 -0.01 -0.05 -0.04 1.22 1.14 2gvyB1 TYR 382 H 0.04 0.38 -0.20 -0.55 8.29 7.95 2gvyB1 TYR 382 HA -0.07 -0.02 0.64 -0.75 4.56 4.35 2gvyB1 TYR 382 HB2 -0.07 0.10 0.09 -0.04 3.06 3.14 2gvyB1 TYR 382 HB3 -0.19 0.07 0.18 -0.04 2.98 3.00 2gvyB1 TYR 382 HD2 -0.04 0.00 -0.26 -0.04 7.15 6.81 2gvyB1 TYR 382 HE2 0.07 0.00 -0.05 -0.04 6.85 6.84 2gvyB1 LYS 383 H -0.31 0.09 0.15 -0.55 8.42 7.79 2gvyB1 LYS 383 HA -0.04 0.04 0.44 -0.75 4.32 4.00 2gvyB1 LYS 383 HB2 -0.20 -0.04 0.19 -0.04 1.87 1.78 2gvyB1 LYS 383 HB3 -0.11 0.06 0.02 -0.04 1.79 1.72 2gvyB1 LYS 383 HG2 -0.07 0.03 0.06 -0.04 1.46 1.44 2gvyB1 LYS 383 HG3 -0.04 -0.04 0.06 -0.04 1.46 1.40 2gvyB1 LYS 383 HD2 -0.05 0.02 -0.07 -0.04 1.69 1.55 2gvyB1 LYS 383 HD3 -0.10 0.03 0.07 -0.04 1.68 1.63 2gvyB1 LYS 383 HE2 -0.06 0.04 0.07 -0.04 2.99 3.00 2gvyB1 LYS 383 HE3 -0.04 0.04 0.10 -0.04 2.99 3.05 2gvyB1 ASN 384 H 0.01 0.09 0.21 -0.55 8.53 8.29 2gvyB1 ASN 384 HA 0.14 0.15 0.44 -0.75 4.76 4.74 2gvyB1 ASN 384 HB2 -0.02 0.10 0.15 -0.04 2.88 3.06 2gvyB1 ASN 384 HB3 0.03 -0.09 0.11 -0.04 2.79 2.79 2gvyB1 ASN 384 HD21 -0.03 -0.03 -0.15 -0.04 7.03 6.78 2gvyB1 ASN 384 HD22 -0.02 -0.09 -0.04 -0.04 7.74 7.55 2gvyB1 TRP 385 H 0.27 0.44 0.29 -0.55 7.97 8.42 2gvyB1 TRP 385 HA -0.02 0.21 0.96 -0.75 4.62 5.02 2gvyB1 TRP 385 HB2 0.06 0.14 -0.03 -0.04 3.23 3.36 2gvyB1 TRP 385 HB3 0.10 0.01 0.24 -0.04 3.23 3.53 2gvyB1 TRP 385 HD1 -0.03 0.06 -0.02 -0.04 7.22 7.18 2gvyB1 TRP 385 HE1 0.03 -0.04 -0.04 -0.04 10.20 10.11 2gvyB1 TRP 385 HE3 0.13 0.04 -0.03 -0.04 7.59 7.68 2gvyB1 TRP 385 HZ2 0.03 -0.05 -0.02 -0.04 7.44 7.37 2gvyB1 TRP 385 HZ3 0.05 -0.03 -0.04 -0.04 7.13 7.07 2gvyB1 TRP 385 HH2 0.03 -0.07 -0.02 -0.04 7.19 7.09 2gvyB1 PRO 386 HA 0.02 0.16 0.82 -0.51 4.44 4.92 2gvyB1 PRO 386 HB2 -0.52 -0.03 0.11 -0.04 2.28 1.81 2gvyB1 PRO 386 HB3 -0.02 0.00 0.11 -0.04 2.02 2.06 2gvyB1 PRO 386 HG2 -0.32 0.04 0.11 -0.04 2.03 1.81 2gvyB1 PRO 386 HG3 -0.02 0.02 0.02 -0.04 2.03 2.01 2gvyB1 PRO 386 HD2 0.17 0.09 0.22 -0.04 3.68 4.12 2gvyB1 PRO 386 HD3 0.12 0.31 0.09 -0.04 3.65 4.13 2gvyB1 ILE 387 H -0.08 0.49 0.38 -0.55 8.25 8.49 2gvyB1 ILE 387 HA -0.41 0.18 0.66 -0.75 4.18 3.86 2gvyB1 ILE 387 HB -0.41 -0.02 0.05 -0.04 1.89 1.47 2gvyB1 ILE 387 HG12 -0.13 0.01 -0.27 -0.04 1.49 1.06 2gvyB1 ILE 387 HG13 -0.05 -0.06 -0.32 -0.04 1.21 0.74 2gvyB1 ILE 387 HG23 -1.20 0.09 -0.10 -0.04 0.93 -0.32 2gvyB1 ILE 387 HD13 -0.18 -0.01 -0.37 -0.04 0.88 0.28 2gvyB1 TYR 388 H 0.16 0.30 0.13 -0.55 8.29 8.32 2gvyB1 TYR 388 HA 0.00 0.11 0.64 -0.75 4.56 4.56 2gvyB1 TYR 388 HB2 -0.03 0.18 -0.19 -0.04 3.06 2.98 2gvyB1 TYR 388 HB3 0.00 -0.10 -0.06 -0.04 2.98 2.78 2gvyB1 TYR 388 HD2 0.01 0.01 -0.15 -0.04 7.15 6.98 2gvyB1 TYR 388 HE2 0.02 -0.04 -0.12 -0.04 6.85 6.67 2gvyB1 LYS 389 H -0.77 0.32 0.19 -0.55 8.42 7.61 2gvyB1 LYS 389 HA -0.30 0.24 0.36 -0.75 4.32 3.86 2gvyB1 LYS 389 HB2 -0.21 0.05 0.16 -0.04 1.87 1.83 2gvyB1 LYS 389 HB3 -0.10 0.07 0.15 -0.04 1.79 1.87 2gvyB1 LYS 389 HG2 -0.70 -0.01 -0.09 -0.04 1.46 0.62 2gvyB1 LYS 389 HG3 -0.42 -0.03 -0.14 -0.04 1.46 0.82 2gvyB1 LYS 389 HD2 -0.31 -0.09 -0.16 -0.04 1.69 1.10 2gvyB1 LYS 389 HD3 -0.50 0.05 -0.10 -0.04 1.68 1.09 2gvyB1 LYS 389 HE2 -0.45 -0.02 -0.03 -0.04 2.99 2.45 2gvyB1 LYS 389 HE3 -1.66 0.06 -0.07 -0.04 2.99 1.28 2gvyB1 ASP 390 H -0.21 0.52 0.29 -0.55 8.40 8.45 2gvyB1 ASP 390 HA -0.21 0.17 0.46 -0.75 4.63 4.30 2gvyB1 ASP 390 HB2 -0.04 -0.06 0.23 -0.04 2.71 2.79 2gvyB1 ASP 390 HB3 -0.16 0.15 0.02 -0.04 2.70 2.66 2gvyB1 ASP 391 H -0.06 0.17 0.16 -0.55 8.40 8.13 2gvyB1 ASP 391 HA -0.07 0.06 0.43 -0.75 4.63 4.29 2gvyB1 ASP 391 HB2 -0.04 -0.03 0.16 -0.04 2.71 2.76 2gvyB1 ASP 391 HB3 -0.04 0.10 0.07 -0.04 2.70 2.79 2gvyB1 THR 392 H -0.00 -0.02 -0.29 -0.55 8.28 7.42 2gvyB1 THR 392 HA -0.02 0.38 0.94 -0.75 4.39 4.93 2gvyB1 THR 392 HB 0.05 -0.08 0.09 -0.04 4.32 4.34 2gvyB1 THR 392 HG23 -0.01 0.03 -0.16 -0.04 1.22 1.04 2gvyB1 THR 393 H -0.01 0.33 -0.09 -0.55 8.28 7.96 2gvyB1 THR 393 HA 0.13 0.42 1.07 -0.75 4.39 5.25 2gvyB1 THR 393 HB 0.25 -0.13 -0.15 -0.04 4.32 4.25 2gvyB1 THR 393 HG23 0.25 0.03 -0.18 -0.04 1.22 1.27 2gvyB1 ILE 394 H 0.17 0.68 0.29 -0.55 8.25 8.83 2gvyB1 ILE 394 HA 0.11 0.24 0.65 -0.75 4.18 4.43 2gvyB1 ILE 394 HB 0.09 -0.04 0.04 -0.04 1.89 1.94 2gvyB1 ILE 394 HG12 0.21 0.03 -0.13 -0.04 1.49 1.56 2gvyB1 ILE 394 HG13 0.23 0.14 0.22 -0.04 1.21 1.75 2gvyB1 ILE 394 HG23 0.24 -0.01 -0.08 -0.04 0.93 1.04 2gvyB1 ILE 394 HD13 0.19 -0.01 -0.04 -0.04 0.88 0.97 2gvyB1 ALA 395 H 0.20 0.59 0.31 -0.55 8.40 8.96 2gvyB1 ALA 395 HA 0.14 0.40 1.13 -0.75 4.34 5.25 2gvyB1 ALA 395 HB3 0.13 -0.03 -0.02 -0.04 1.41 1.45 2gvyB1 MET 396 H 0.08 0.58 0.39 -0.55 8.47 8.97 2gvyB1 MET 396 HA 0.01 0.16 1.10 -0.75 4.52 5.04 2gvyB1 MET 396 HB2 0.08 0.01 -0.17 -0.04 2.15 2.03 2gvyB1 MET 396 HB3 0.12 -0.04 -0.29 -0.04 2.03 1.77 2gvyB1 MET 396 HG2 0.10 -0.00 0.01 -0.04 2.63 2.70 2gvyB1 MET 396 HG3 0.04 0.10 -0.20 -0.04 2.56 2.46 2gvyB1 MET 396 HE3 -0.13 0.01 -0.22 -0.04 2.10 1.72 2gvyB1 ARG 397 H 0.07 0.59 0.36 -0.55 8.46 8.92 2gvyB1 ARG 397 HA 0.03 0.34 1.15 -0.75 4.34 5.10 2gvyB1 ARG 397 HB2 -0.10 -0.07 -0.10 -0.04 1.90 1.58 2gvyB1 ARG 397 HB3 -0.00 0.03 0.11 -0.04 1.80 1.90 2gvyB1 ARG 397 HG2 -0.08 0.01 -0.13 -0.04 1.67 1.43 2gvyB1 ARG 397 HG3 -0.09 0.08 -0.08 -0.04 1.67 1.54 2gvyB1 ARG 397 HD2 0.46 -0.04 -0.15 -0.04 3.22 3.45 2gvyB1 ARG 397 HD3 0.14 0.05 -1.05 -0.04 3.22 2.32 2gvyB1 LYS 398 H 0.02 0.56 0.27 -0.55 8.42 8.71 2gvyB1 LYS 398 HA -0.03 0.08 0.75 -0.75 4.32 4.38 2gvyB1 LYS 398 HB2 -0.01 -0.10 -0.23 -0.04 1.87 1.49 2gvyB1 LYS 398 HB3 -0.02 0.04 0.04 -0.04 1.79 1.82 2gvyB1 LYS 398 HG2 -0.92 -0.01 -0.11 -0.04 1.46 0.37 2gvyB1 LYS 398 HG3 -0.17 0.10 -0.01 -0.04 1.46 1.34 2gvyB1 LYS 398 HD2 -0.16 -0.18 -0.09 -0.04 1.69 1.22 2gvyB1 LYS 398 HD3 -0.28 0.09 -0.08 -0.04 1.68 1.37 2gvyB1 LYS 398 HE2 -0.24 0.12 -0.07 -0.04 2.99 2.76 2gvyB1 LYS 398 HE3 -1.26 0.02 -0.05 -0.04 2.99 1.65 2gvyB1 GLY 399 H -0.98 0.15 0.07 -0.55 8.43 7.13 2gvyB1 GLY 399 HA2 -0.11 0.05 0.28 -0.51 4.01 3.73 2gvyB1 GLY 399 HA3 0.08 0.24 0.85 -0.51 4.01 4.67 2gvyB1 THR 400 H 0.02 0.15 -0.02 -0.55 8.28 7.88 2gvyB1 THR 400 HA -0.03 0.03 0.34 -0.75 4.39 3.98 2gvyB1 THR 400 HB 0.04 0.05 0.04 -0.04 4.32 4.41 2gvyB1 THR 400 HG23 0.04 0.06 -0.07 -0.04 1.22 1.20 2gvyB1 ASP 401 H 0.02 0.10 0.16 -0.55 8.40 8.14 2gvyB1 ASP 401 HA -0.03 0.04 0.35 -0.75 4.63 4.24 2gvyB1 ASP 401 HB2 0.03 -0.02 0.12 -0.04 2.71 2.80 2gvyB1 ASP 401 HB3 0.02 0.03 0.04 -0.04 2.70 2.75 2gvyB1 GLY 402 H 0.01 0.15 0.16 -0.55 8.43 8.20 2gvyB1 GLY 402 HA2 0.04 -0.06 0.41 -0.51 4.01 3.89 2gvyB1 GLY 402 HA3 0.01 0.17 0.72 -0.51 4.01 4.40 2gvyB1 SER 403 H -0.00 0.56 -0.30 -0.55 8.46 8.18 2gvyB1 SER 403 HA -0.18 0.12 0.80 -0.75 4.49 4.48 2gvyB1 SER 403 HB2 0.04 0.04 -0.03 -0.04 3.95 3.96 2gvyB1 SER 403 HB3 0.09 0.00 0.14 -0.04 3.93 4.12 2gvyB1 GLN 404 H 0.03 -0.12 -0.10 -0.55 8.47 7.74 2gvyB1 GLN 404 HA 0.08 0.11 0.30 -0.75 4.36 4.10 2gvyB1 GLN 404 HB2 -0.09 0.05 -0.27 -0.04 2.15 1.79 2gvyB1 GLN 404 HB3 -0.14 0.02 -0.33 -0.04 2.02 1.53 2gvyB1 GLN 404 HG2 -0.18 -0.05 -0.21 -0.04 2.40 1.92 2gvyB1 GLN 404 HG3 -0.36 0.12 -0.19 -0.04 2.39 1.92 2gvyB1 GLN 404 HE21 -0.25 0.05 -0.30 -0.04 6.97 6.42 2gvyB1 GLN 404 HE22 -0.55 0.51 0.02 -0.04 7.69 7.63 2gvyB1 ILE 405 H 0.24 0.74 0.41 -0.55 8.25 9.09 2gvyB1 ILE 405 HA 0.31 0.29 0.97 -0.75 4.18 5.00 2gvyB1 ILE 405 HB 0.28 0.02 0.22 -0.04 1.89 2.37 2gvyB1 ILE 405 HG12 0.17 -0.01 -0.02 -0.04 1.49 1.59 2gvyB1 ILE 405 HG13 0.25 0.04 0.07 -0.04 1.21 1.52 2gvyB1 ILE 405 HG23 0.11 -0.02 -0.19 -0.04 0.93 0.78 2gvyB1 ILE 405 HD13 -0.08 0.01 -0.07 -0.04 0.88 0.70 2gvyB1 VAL 406 H 0.22 0.55 0.26 -0.55 8.24 8.73 2gvyB1 VAL 406 HA 0.07 0.37 1.21 -0.75 4.13 5.03 2gvyB1 VAL 406 HB 0.27 -0.11 0.04 -0.04 2.12 2.28 2gvyB1 VAL 406 HG13 0.03 -0.02 -0.22 -0.04 0.97 0.72 2gvyB1 VAL 406 HG23 -0.14 0.00 -0.23 -0.04 0.95 0.55 2gvyB1 THR 407 H 0.07 0.70 0.35 -0.55 8.28 8.85 2gvyB1 THR 407 HA 0.06 0.19 1.01 -0.75 4.39 4.90 2gvyB1 THR 407 HB 0.07 -0.02 0.09 -0.04 4.32 4.41 2gvyB1 THR 407 HG23 0.06 -0.01 -0.22 -0.04 1.22 1.01 2gvyB1 ILE 408 H 0.06 0.76 0.38 -0.55 8.25 8.89 2gvyB1 ILE 408 HA 0.11 0.17 1.18 -0.75 4.18 4.89 2gvyB1 ILE 408 HB 0.04 -0.03 0.16 -0.04 1.89 2.02 2gvyB1 ILE 408 HG12 0.01 -0.04 -0.11 -0.04 1.49 1.30 2gvyB1 ILE 408 HG13 0.05 0.03 -0.24 -0.04 1.21 1.01 2gvyB1 ILE 408 HG23 0.08 -0.02 -0.19 -0.04 0.93 0.77 2gvyB1 ILE 408 HD13 0.03 0.01 -0.19 -0.04 0.88 0.70 2gvyB1 LEU 409 H 0.18 0.88 0.39 -0.55 8.37 9.26 2gvyB1 LEU 409 HA 0.13 0.17 1.00 -0.75 4.35 4.90 2gvyB1 LEU 409 HB2 0.38 -0.02 0.00 -0.04 1.64 1.96 2gvyB1 LEU 409 HB3 0.28 -0.01 -0.01 -0.04 1.64 1.86 2gvyB1 LEU 409 HG 0.18 0.00 -0.27 -0.04 1.64 1.51 2gvyB1 LEU 409 HD13 0.25 0.02 -0.12 -0.04 0.93 1.03 2gvyB1 LEU 409 HD23 0.02 0.03 -0.14 -0.04 0.89 0.76 2gvyB1 SER 410 H 0.28 0.31 0.15 -0.55 8.46 8.65 2gvyB1 SER 410 HA 0.17 0.34 1.08 -0.75 4.49 5.32 2gvyB1 SER 410 HB2 0.14 0.04 -0.29 -0.04 3.95 3.79 2gvyB1 SER 410 HB3 0.14 0.10 -0.17 -0.04 3.93 3.96 2gvyB1 ASN 411 H 0.07 0.52 0.22 -0.55 8.53 8.79 2gvyB1 ASN 411 HA 0.21 0.20 0.91 -0.75 4.76 5.33 2gvyB1 ASN 411 HB2 0.01 0.04 0.22 -0.04 2.88 3.11 2gvyB1 ASN 411 HB3 -0.21 0.06 0.00 -0.04 2.79 2.60 2gvyB1 ASN 411 HD21 -0.12 0.17 0.04 -0.04 7.03 7.08 2gvyB1 ASN 411 HD22 -0.20 0.42 0.14 -0.04 7.74 8.05 2gvyB1 LYS 412 H 0.11 0.12 -0.03 -0.55 8.42 8.07 2gvyB1 LYS 412 HA 0.06 0.13 0.53 -0.75 4.32 4.29 2gvyB1 LYS 412 HB2 0.12 -0.02 0.04 -0.04 1.87 1.97 2gvyB1 LYS 412 HB3 0.09 -0.07 0.10 -0.04 1.79 1.87 2gvyB1 LYS 412 HG2 0.07 0.04 0.05 -0.04 1.46 1.58 2gvyB1 LYS 412 HG3 0.13 0.03 0.06 -0.04 1.46 1.64 2gvyB1 LYS 412 HD2 0.32 0.04 -0.06 -0.04 1.69 1.94 2gvyB1 LYS 412 HD3 0.14 -0.08 0.01 -0.04 1.68 1.71 2gvyB1 LYS 412 HE2 0.01 0.03 -0.00 -0.04 2.99 2.98 2gvyB1 LYS 412 HE3 -0.00 -0.03 -0.04 -0.04 2.99 2.87 2gvyB1 GLY 413 H 0.12 0.11 -0.45 -0.55 8.43 7.66 2gvyB1 GLY 413 HA2 0.11 -0.01 0.21 -0.51 4.01 3.81 2gvyB1 GLY 413 HA3 0.09 0.07 0.31 -0.51 4.01 3.97 2gvyB1 ALA 414 H 0.08 0.05 0.14 -0.55 8.40 8.11 2gvyB1 ALA 414 HA 0.05 0.35 0.20 -0.75 4.34 4.18 2gvyB1 ALA 414 HB3 0.05 -0.04 0.15 -0.04 1.41 1.54 2gvyB1 SER 415 H 0.05 0.06 -0.36 -0.55 8.46 7.66 2gvyB1 SER 415 HA 0.04 0.19 0.74 -0.75 4.49 4.71 2gvyB1 SER 415 HB2 0.04 0.02 0.00 -0.04 3.95 3.97 2gvyB1 SER 415 HB3 0.03 0.01 0.12 -0.04 3.93 4.05 2gvyB1 GLY 416 H 0.06 0.45 -0.53 -0.55 8.43 7.86 2gvyB1 GLY 416 HA2 0.07 -0.00 0.27 -0.51 4.01 3.84 2gvyB1 GLY 416 HA3 0.09 -0.07 0.11 -0.51 4.01 3.64 2gvyB1 ASP 417 H 0.08 0.05 0.14 -0.55 8.40 8.12 2gvyB1 ASP 417 HA 0.07 0.13 0.55 -0.75 4.63 4.63 2gvyB1 ASP 417 HB2 0.08 0.04 0.12 -0.04 2.71 2.90 2gvyB1 ASP 417 HB3 0.05 0.03 0.12 -0.04 2.70 2.86 2gvyB1 SER 418 H 0.09 0.14 0.20 -0.55 8.46 8.34 2gvyB1 SER 418 HA 0.06 0.35 0.97 -0.75 4.49 5.12 2gvyB1 SER 418 HB2 0.05 -0.05 0.15 -0.04 3.95 4.05 2gvyB1 SER 418 HB3 0.02 0.06 0.04 -0.04 3.93 4.01 2gvyB1 TYR 419 H -0.11 0.71 0.37 -0.55 8.29 8.72 2gvyB1 TYR 419 HA 0.00 0.09 0.59 -0.75 4.56 4.49 2gvyB1 TYR 419 HB2 0.01 -0.03 0.06 -0.04 3.06 3.06 2gvyB1 TYR 419 HB3 0.01 0.08 -0.37 -0.04 2.98 2.66 2gvyB1 TYR 419 HD2 0.01 0.09 -0.44 -0.04 7.15 6.77 2gvyB1 TYR 419 HE2 0.03 -0.02 -0.18 -0.04 6.85 6.64 2gvyB1 THR 420 H 0.17 0.20 0.12 -0.55 8.28 8.23 2gvyB1 THR 420 HA -0.12 0.29 0.98 -0.75 4.39 4.79 2gvyB1 THR 420 HB 0.03 -0.05 0.04 -0.04 4.32 4.30 2gvyB1 THR 420 HG23 -0.03 0.01 -0.43 -0.04 1.22 0.73 2gvyB1 LEU 421 H -0.15 0.75 0.22 -0.55 8.37 8.65 2gvyB1 LEU 421 HA 0.09 0.10 0.84 -0.75 4.35 4.63 2gvyB1 LEU 421 HB2 0.07 -0.01 -0.02 -0.04 1.64 1.63 2gvyB1 LEU 421 HB3 -0.09 0.08 0.12 -0.04 1.64 1.71 2gvyB1 LEU 421 HG -0.19 -0.03 -0.66 -0.04 1.64 0.72 2gvyB1 LEU 421 HD13 -0.30 -0.01 -0.12 -0.04 0.93 0.45 2gvyB1 LEU 421 HD23 -0.14 0.00 -0.16 -0.04 0.89 0.55 2gvyB1 SER 422 H -0.02 0.18 0.04 -0.55 8.46 8.11 2gvyB1 SER 422 HA -0.05 0.14 0.62 -0.75 4.49 4.45 2gvyB1 SER 422 HB2 -0.01 0.02 -0.00 -0.04 3.95 3.91 2gvyB1 SER 422 HB3 -0.03 -0.00 0.15 -0.04 3.93 4.00 2gvyB1 LEU 423 H -0.07 0.89 0.25 -0.55 8.37 8.89 2gvyB1 LEU 423 HA -0.26 0.10 0.38 -0.75 4.35 3.82 2gvyB1 LEU 423 HB2 -0.14 -0.00 -0.07 -0.04 1.64 1.39 2gvyB1 LEU 423 HB3 -0.06 0.01 0.16 -0.04 1.64 1.71 2gvyB1 LEU 423 HG -0.07 -0.02 -0.45 -0.04 1.64 1.06 2gvyB1 LEU 423 HD13 -0.17 -0.01 -0.13 -0.04 0.93 0.58 2gvyB1 LEU 423 HD23 -0.01 -0.00 -0.18 -0.04 0.89 0.66 2gvyB1 SER 424 H -0.13 0.21 0.21 -0.55 8.46 8.20 2gvyB1 SER 424 HA -0.04 0.11 0.78 -0.75 4.49 4.59 2gvyB1 SER 424 HB2 -0.03 0.02 0.05 -0.04 3.95 3.94 2gvyB1 SER 424 HB3 -0.01 0.07 -0.01 -0.04 3.93 3.94 2gvyB1 GLY 425 H -0.04 0.15 0.14 -0.55 8.43 8.14 2gvyB1 GLY 425 HA2 -0.07 0.02 0.29 -0.51 4.01 3.73 2gvyB1 GLY 425 HA3 -0.15 0.21 0.43 -0.51 4.01 3.99 2gvyB1 ALA 426 H -0.08 0.07 -0.20 -0.55 8.40 7.64 2gvyB1 ALA 426 HA -0.21 0.18 0.25 -0.75 4.34 3.81 2gvyB1 ALA 426 HB3 -0.06 0.01 -0.09 -0.04 1.41 1.23 2gvyB1 GLY 427 H -0.09 0.04 -0.12 -0.55 8.43 7.71 2gvyB1 GLY 427 HA2 -0.03 -0.00 0.16 -0.51 4.01 3.63 2gvyB1 GLY 427 HA3 -0.12 0.19 0.32 -0.51 4.01 3.90 2gvyB1 TYR 428 H -0.08 -0.01 -0.31 -0.55 8.29 7.35 2gvyB1 TYR 428 HA -0.01 0.12 0.55 -0.75 4.56 4.47 2gvyB1 TYR 428 HB2 -0.02 -0.04 -0.16 -0.04 3.06 2.80 2gvyB1 TYR 428 HB3 -0.03 0.02 -0.12 -0.04 2.98 2.82 2gvyB1 TYR 428 HD2 -0.04 -0.05 -0.15 -0.04 7.15 6.87 2gvyB1 TYR 428 HE2 -0.04 0.04 -0.15 -0.04 6.85 6.65 2gvyB1 THR 429 H 0.12 0.11 0.11 -0.55 8.28 8.07 2gvyB1 THR 429 HA 0.05 0.07 0.39 -0.75 4.39 4.15 2gvyB1 THR 429 HB 0.03 0.03 0.08 -0.04 4.32 4.41 2gvyB1 THR 429 HG23 0.04 0.01 0.05 -0.04 1.22 1.28 2gvyB1 ALA 430 H 0.03 0.10 0.14 -0.55 8.40 8.13 2gvyB1 ALA 430 HA 0.02 0.12 0.34 -0.75 4.34 4.07 2gvyB1 ALA 430 HB3 0.01 -0.02 0.09 -0.04 1.41 1.45 2gvyB1 GLY 431 H -0.00 0.47 -0.02 -0.55 8.43 8.34 2gvyB1 GLY 431 HA2 -0.01 0.02 0.30 -0.51 4.01 3.82 2gvyB1 GLY 431 HA3 -0.01 0.03 0.40 -0.51 4.01 3.92 2gvyB1 GLN 432 H -0.01 0.50 -0.38 -0.55 8.47 8.03 2gvyB1 GLN 432 HA -0.04 0.02 0.41 -0.75 4.36 4.00 2gvyB1 GLN 432 HB2 -0.02 -0.02 0.07 -0.04 2.15 2.14 2gvyB1 GLN 432 HB3 -0.01 0.34 0.11 -0.04 2.02 2.41 2gvyB1 GLN 432 HG2 -0.17 -0.06 -0.32 -0.04 2.40 1.80 2gvyB1 GLN 432 HG3 -0.10 0.01 -0.01 -0.04 2.39 2.24 2gvyB1 GLN 432 HE21 -0.03 0.09 0.07 -0.04 6.97 7.06 2gvyB1 GLN 432 HE22 -0.07 -0.04 0.07 -0.04 7.69 7.60 2gvyB1 GLN 433 H -0.07 0.10 0.25 -0.55 8.47 8.21 2gvyB1 GLN 433 HA -0.08 0.26 0.92 -0.75 4.36 4.71 2gvyB1 GLN 433 HB2 -0.05 0.03 0.16 -0.04 2.15 2.25 2gvyB1 GLN 433 HB3 -0.06 -0.13 0.16 -0.04 2.02 1.95 2gvyB1 GLN 433 HG2 -0.06 0.04 -0.08 -0.04 2.40 2.26 2gvyB1 GLN 433 HG3 -0.05 0.04 0.01 -0.04 2.39 2.35 2gvyB1 GLN 433 HE21 -0.03 0.02 -0.02 -0.04 6.97 6.89 2gvyB1 GLN 433 HE22 -0.04 -0.08 -0.02 -0.04 7.69 7.51 2gvyB1 LEU 434 H -0.11 0.91 0.44 -0.55 8.37 9.06 2gvyB1 LEU 434 HA -0.19 0.07 0.99 -0.75 4.35 4.47 2gvyB1 LEU 434 HB2 -0.15 -0.05 -0.07 -0.04 1.64 1.33 2gvyB1 LEU 434 HB3 -0.24 0.01 -0.10 -0.04 1.64 1.27 2gvyB1 LEU 434 HG -0.26 0.05 -0.28 -0.04 1.64 1.11 2gvyB1 LEU 434 HD13 -0.30 -0.01 -0.23 -0.04 0.93 0.36 2gvyB1 LEU 434 HD23 -0.88 0.02 -0.31 -0.04 0.89 -0.33 2gvyB1 THR 435 H -0.06 0.74 0.31 -0.55 8.28 8.73 2gvyB1 THR 435 HA -0.04 0.25 1.10 -0.75 4.39 4.94 2gvyB1 THR 435 HB 0.01 0.04 0.07 -0.04 4.32 4.39 2gvyB1 THR 435 HG23 -0.03 0.02 -0.33 -0.04 1.22 0.83 2gvyB1 GLU 436 H -0.03 0.68 0.13 -0.55 8.60 8.84 2gvyB1 GLU 436 HA -0.01 0.24 0.62 -0.75 4.29 4.39 2gvyB1 GLU 436 HB2 -0.03 0.03 -0.05 -0.04 2.09 2.01 2gvyB1 GLU 436 HB3 -0.03 -0.12 0.18 -0.04 1.99 1.98 2gvyB1 GLU 436 HG2 -0.01 -0.03 -0.02 -0.04 2.34 2.23 2gvyB1 GLU 436 HG3 -0.02 0.11 0.01 -0.04 2.34 2.39 2gvyB1 VAL 437 H -0.01 0.80 0.32 -0.55 8.24 8.79 2gvyB1 VAL 437 HA -0.05 0.09 0.12 -0.75 4.13 3.54 2gvyB1 VAL 437 HB -0.09 0.00 0.07 -0.04 2.12 2.06 2gvyB1 VAL 437 HG13 -0.06 0.06 -0.09 -0.04 0.97 0.84 2gvyB1 VAL 437 HG23 -0.06 0.05 -0.09 -0.04 0.95 0.80 2gvyB1 ILE 438 H -0.03 -0.04 -0.27 -0.55 8.25 7.36 2gvyB1 ILE 438 HA -0.04 0.21 0.70 -0.75 4.18 4.30 2gvyB1 ILE 438 HB -0.02 -0.03 0.10 -0.04 1.89 1.90 2gvyB1 ILE 438 HG12 -0.03 -0.13 -0.07 -0.04 1.49 1.23 2gvyB1 ILE 438 HG13 -0.03 0.04 -0.12 -0.04 1.21 1.06 2gvyB1 ILE 438 HG23 -0.03 0.01 -0.06 -0.04 0.93 0.81 2gvyB1 ILE 438 HD13 -0.05 0.04 -0.15 -0.04 0.88 0.68 2gvyB1 GLY 439 H -0.03 -0.00 -0.00 -0.55 8.43 7.85 2gvyB1 GLY 439 HA2 -0.02 0.19 0.66 -0.51 4.01 4.34 2gvyB1 GLY 439 HA3 -0.02 -0.03 0.28 -0.51 4.01 3.72 2gvyB1 CYS 440 H -0.03 0.12 -0.17 -0.55 8.50 7.87 2gvyB1 CYS 440 HA -0.04 0.11 0.28 -0.75 4.58 4.18 2gvyB1 CYS 440 HB2 -0.03 0.10 -0.17 -0.04 2.97 2.83 2gvyB1 CYS 440 HB3 -0.03 0.01 0.18 -0.04 2.97 3.09 2gvyB1 THR 441 H -0.03 -0.00 -0.11 -0.55 8.28 7.59 2gvyB1 THR 441 HA -0.03 0.22 0.93 -0.75 4.39 4.76 2gvyB1 THR 441 HB -0.03 0.03 0.17 -0.04 4.32 4.45 2gvyB1 THR 441 HG23 -0.02 0.02 -0.06 -0.04 1.22 1.11 2gvyB1 THR 442 H -0.03 0.15 0.20 -0.55 8.28 8.05 2gvyB1 THR 442 HA -0.04 0.26 1.00 -0.75 4.39 4.85 2gvyB1 THR 442 HB -0.04 0.02 0.13 -0.04 4.32 4.39 2gvyB1 THR 442 HG23 -0.04 0.00 -0.14 -0.04 1.22 1.01 2gvyB1 VAL 443 H -0.06 0.68 0.35 -0.55 8.24 8.65 2gvyB1 VAL 443 HA -0.04 0.13 0.71 -0.75 4.13 4.18 2gvyB1 VAL 443 HB -0.04 0.08 0.03 -0.04 2.12 2.15 2gvyB1 VAL 443 HG13 -0.04 -0.01 -0.21 -0.04 0.97 0.67 2gvyB1 VAL 443 HG23 -0.06 -0.02 -0.22 -0.04 0.95 0.60 2gvyB1 THR 444 H -0.04 0.19 0.12 -0.55 8.28 8.01 2gvyB1 THR 444 HA -0.05 0.30 0.98 -0.75 4.39 4.86 2gvyB1 THR 444 HB -0.02 -0.07 0.04 -0.04 4.32 4.23 2gvyB1 THR 444 HG23 -0.02 0.09 -0.16 -0.04 1.22 1.08 2gvyB1 VAL 445 H -0.05 0.71 0.10 -0.55 8.24 8.45 2gvyB1 VAL 445 HA -0.00 0.05 0.51 -0.75 4.13 3.93 2gvyB1 VAL 445 HB 0.00 -0.09 0.02 -0.04 2.12 2.02 2gvyB1 VAL 445 HG13 0.05 0.07 -0.42 -0.04 0.97 0.62 2gvyB1 VAL 445 HG23 -0.01 0.04 -0.17 -0.04 0.95 0.77 2gvyB1 GLY 446 H 0.00 0.78 0.27 -0.55 8.43 8.94 2gvyB1 GLY 446 HA2 -0.00 0.11 0.45 -0.51 4.01 4.06 2gvyB1 GLY 446 HA3 -0.00 -0.02 0.38 -0.51 4.01 3.86 2gvyB1 SER 447 H 0.00 0.20 0.18 -0.55 8.46 8.29 2gvyB1 SER 447 HA 0.01 0.13 0.57 -0.75 4.49 4.44 2gvyB1 SER 447 HB2 0.00 0.05 0.12 -0.04 3.95 4.08 2gvyB1 SER 447 HB3 0.00 0.04 0.13 -0.04 3.93 4.06 2gvyB1 ASP 448 H 0.00 0.01 -0.26 -0.55 8.40 7.61 2gvyB1 ASP 448 HA 0.01 0.21 0.66 -0.75 4.63 4.76 2gvyB1 ASP 448 HB2 0.01 0.06 0.11 -0.04 2.71 2.85 2gvyB1 ASP 448 HB3 0.00 0.03 0.05 -0.04 2.70 2.74 2gvyB1 GLY 449 H 0.01 0.42 -0.62 -0.55 8.43 7.69 2gvyB1 GLY 449 HA2 0.02 0.09 0.22 -0.51 4.01 3.83 2gvyB1 GLY 449 HA3 0.02 0.10 0.45 -0.51 4.01 4.07 2gvyB1 ASN 450 H 0.00 -0.07 -0.54 -0.55 8.53 7.38 2gvyB1 ASN 450 HA -0.01 0.26 0.69 -0.75 4.76 4.95 2gvyB1 ASN 450 HB2 -0.01 -0.10 -0.10 -0.04 2.88 2.63 2gvyB1 ASN 450 HB3 -0.02 -0.01 -0.31 -0.04 2.79 2.40 2gvyB1 ASN 450 HD21 -0.02 0.02 -0.14 -0.04 7.03 6.85 2gvyB1 ASN 450 HD22 -0.02 -0.04 -0.23 -0.04 7.74 7.41 2gvyB1 VAL 451 H -0.01 0.66 0.22 -0.55 8.24 8.56 2gvyB1 VAL 451 HA 0.00 0.19 0.90 -0.75 4.13 4.47 2gvyB1 VAL 451 HB 0.01 -0.03 0.11 -0.04 2.12 2.16 2gvyB1 VAL 451 HG13 -0.00 0.01 -0.31 -0.04 0.97 0.63 2gvyB1 VAL 451 HG23 0.12 0.02 -0.15 -0.04 0.95 0.89 2gvyB1 PRO 452 HA -0.03 0.12 0.57 -0.51 4.44 4.59 2gvyB1 PRO 452 HB2 -0.02 0.03 0.02 -0.04 2.28 2.26 2gvyB1 PRO 452 HB3 -0.02 -0.03 -0.00 -0.04 2.02 1.93 2gvyB1 PRO 452 HG2 -0.02 0.00 0.16 -0.04 2.03 2.13 2gvyB1 PRO 452 HG3 -0.02 0.00 0.08 -0.04 2.03 2.06 2gvyB1 PRO 452 HD2 -0.02 0.16 0.14 -0.04 3.68 3.91 2gvyB1 PRO 452 HD3 -0.01 0.13 0.22 -0.04 3.65 3.94 2gvyB1 VAL 453 H -0.06 0.86 0.30 -0.55 8.24 8.80 2gvyB1 VAL 453 HA -0.05 0.18 0.59 -0.75 4.13 4.09 2gvyB1 VAL 453 HB -0.08 -0.09 0.12 -0.04 2.12 2.04 2gvyB1 VAL 453 HG13 -0.05 0.01 -0.22 -0.04 0.97 0.67 2gvyB1 VAL 453 HG23 -0.03 0.03 -0.15 -0.04 0.95 0.77 2gvyB1 PRO 454 HA -0.12 0.08 0.66 -0.51 4.44 4.56 2gvyB1 PRO 454 HB2 -0.06 -0.00 0.05 -0.04 2.28 2.23 2gvyB1 PRO 454 HB3 -0.05 0.01 0.04 -0.04 2.02 1.97 2gvyB1 PRO 454 HG2 -0.04 0.04 0.07 -0.04 2.03 2.06 2gvyB1 PRO 454 HG3 -0.04 0.02 0.03 -0.04 2.03 2.00 2gvyB1 PRO 454 HD2 -0.05 0.04 0.18 -0.04 3.68 3.81 2gvyB1 PRO 454 HD3 -0.05 0.41 0.33 -0.04 3.65 4.31 2gvyB1 MET 455 H -0.33 0.79 0.48 -0.55 8.47 8.85 2gvyB1 MET 455 HA -0.16 0.15 0.70 -0.75 4.52 4.45 2gvyB1 MET 455 HB2 -1.31 -0.04 0.05 -0.04 2.15 0.81 2gvyB1 MET 455 HB3 -0.41 -0.04 -0.04 -0.04 2.03 1.51 2gvyB1 MET 455 HG2 -0.40 0.11 -0.12 -0.04 2.63 2.18 2gvyB1 MET 455 HG3 -0.62 -0.09 -0.13 -0.04 2.56 1.68 2gvyB1 MET 455 HE3 0.07 -0.02 -0.19 -0.04 2.10 1.91 2gvyB1 ALA 456 H -0.05 0.31 0.12 -0.55 8.40 8.24 2gvyB1 ALA 456 HA 0.01 0.20 0.39 -0.75 4.34 4.18 2gvyB1 ALA 456 HB3 -0.01 0.04 -0.10 -0.04 1.41 1.29 2gvyB1 GLY 457 H 0.04 0.35 -0.02 -0.55 8.43 8.24 2gvyB1 GLY 457 HA2 0.04 0.21 0.26 -0.51 4.01 4.00 2gvyB1 GLY 457 HA3 0.03 0.04 0.31 -0.51 4.01 3.87 2gvyB1 GLY 458 H 0.06 0.04 -0.59 -0.55 8.43 7.40 2gvyB1 GLY 458 HA2 0.09 -0.06 0.10 -0.51 4.01 3.63 2gvyB1 GLY 458 HA3 0.08 -0.02 0.17 -0.51 4.01 3.73 2gvyB1 LEU 459 H 0.03 0.42 -0.24 -0.55 8.37 8.04 2gvyB1 LEU 459 HA 0.02 0.09 0.45 -0.75 4.35 4.16 2gvyB1 LEU 459 HB2 0.00 0.08 0.07 -0.04 1.64 1.75 2gvyB1 LEU 459 HB3 -0.00 0.14 -0.17 -0.04 1.64 1.56 2gvyB1 LEU 459 HG -0.00 0.02 -0.03 -0.04 1.64 1.59 2gvyB1 LEU 459 HD13 0.01 0.03 -0.06 -0.04 0.93 0.86 2gvyB1 LEU 459 HD23 0.00 -0.01 -0.09 -0.04 0.89 0.75 2gvyB1 PRO 460 HA 0.04 0.18 0.65 -0.51 4.44 4.79 2gvyB1 PRO 460 HB2 -0.01 0.04 -0.08 -0.04 2.28 2.20 2gvyB1 PRO 460 HB3 -0.02 -0.03 0.08 -0.04 2.02 2.02 2gvyB1 PRO 460 HG2 -0.02 -0.00 0.03 -0.04 2.03 1.99 2gvyB1 PRO 460 HG3 -0.04 0.07 -0.17 -0.04 2.03 1.85 2gvyB1 PRO 460 HD2 -0.00 0.04 0.19 -0.04 3.68 3.87 2gvyB1 PRO 460 HD3 -0.00 0.17 0.18 -0.04 3.65 3.95 2gvyB1 ARG 461 H 0.03 0.68 0.38 -0.55 8.46 9.00 2gvyB1 ARG 461 HA -0.00 0.07 0.84 -0.75 4.34 4.48 2gvyB1 ARG 461 HB2 0.01 -0.08 0.15 -0.04 1.90 1.94 2gvyB1 ARG 461 HB3 -0.01 -0.04 0.02 -0.04 1.80 1.74 2gvyB1 ARG 461 HG2 -0.00 0.09 -0.07 -0.04 1.67 1.64 2gvyB1 ARG 461 HG3 -0.03 0.03 -0.06 -0.04 1.67 1.56 2gvyB1 ARG 461 HD2 -0.02 -0.11 -0.00 -0.04 3.22 3.05 2gvyB1 ARG 461 HD3 -0.01 0.16 -0.59 -0.04 3.22 2.74 2gvyB1 VAL 462 H 0.00 0.07 0.10 -0.55 8.24 7.86 2gvyB1 VAL 462 HA 0.04 0.25 0.97 -0.75 4.13 4.64 2gvyB1 VAL 462 HB -0.01 -0.15 0.10 -0.04 2.12 2.03 2gvyB1 VAL 462 HG13 0.02 0.05 -0.18 -0.04 0.97 0.81 2gvyB1 VAL 462 HG23 -0.00 0.01 -0.27 -0.04 0.95 0.64 2gvyB1 LEU 463 H 0.09 0.84 0.32 -0.55 8.37 9.08 2gvyB1 LEU 463 HA 0.03 0.25 0.74 -0.75 4.35 4.62 2gvyB1 LEU 463 HB2 0.17 0.02 0.10 -0.04 1.64 1.89 2gvyB1 LEU 463 HB3 -0.02 -0.05 -0.11 -0.04 1.64 1.42 2gvyB1 LEU 463 HG 0.04 -0.01 -0.16 -0.04 1.64 1.48 2gvyB1 LEU 463 HD13 0.07 -0.01 -0.17 -0.04 0.93 0.78 2gvyB1 LEU 463 HD23 -0.02 -0.01 -0.29 -0.04 0.89 0.53 2gvyB1 TYR 464 H 0.04 0.33 0.28 -0.55 8.29 8.38 2gvyB1 TYR 464 HA 0.06 0.31 0.65 -0.75 4.56 4.83 2gvyB1 TYR 464 HB2 0.01 0.02 -0.26 -0.04 3.06 2.79 2gvyB1 TYR 464 HB3 -0.04 -0.05 -0.03 -0.04 2.98 2.82 2gvyB1 TYR 464 HD2 0.02 -0.01 -0.21 -0.04 7.15 6.91 2gvyB1 TYR 464 HE2 0.12 0.11 -0.18 -0.04 6.85 6.85 2gvyB1 PRO 465 HA -0.27 0.06 0.53 -0.51 4.44 4.25 2gvyB1 PRO 465 HB2 -0.27 -0.06 0.15 -0.04 2.28 2.05 2gvyB1 PRO 465 HB3 -0.19 -0.02 0.13 -0.04 2.02 1.90 2gvyB1 PRO 465 HG2 -0.20 0.35 -0.00 -0.04 2.03 2.13 2gvyB1 PRO 465 HG3 -0.12 -0.06 -0.02 -0.04 2.03 1.78 2gvyB1 PRO 465 HD2 -1.33 0.18 0.09 -0.04 3.68 2.59 2gvyB1 PRO 465 HD3 -0.17 0.34 0.09 -0.04 3.65 3.86 2gvyB1 THR 466 H -0.12 0.61 0.37 -0.55 8.28 8.59 2gvyB1 THR 466 HA -0.01 0.14 0.28 -0.75 4.39 4.05 2gvyB1 THR 466 HB -0.05 -0.05 0.02 -0.04 4.32 4.20 2gvyB1 THR 466 HG23 -0.03 0.02 -0.10 -0.04 1.22 1.06 2gvyB1 GLU 467 H -0.06 0.10 -0.05 -0.55 8.60 8.04 2gvyB1 GLU 467 HA -0.02 0.05 0.41 -0.75 4.29 3.98 2gvyB1 GLU 467 HB2 -0.02 0.02 0.10 -0.04 2.09 2.15 2gvyB1 GLU 467 HB3 -0.03 -0.05 0.14 -0.04 1.99 2.00 2gvyB1 GLU 467 HG2 -0.07 -0.07 0.05 -0.04 2.34 2.20 2gvyB1 GLU 467 HG3 -0.04 0.13 -0.16 -0.04 2.34 2.22 2gvyB1 LYS 468 H -0.07 0.24 -0.51 -0.55 8.42 7.52 2gvyB1 LYS 468 HA 0.05 0.08 0.49 -0.75 4.32 4.19 2gvyB1 LYS 468 HB2 -0.35 0.18 0.09 -0.04 1.87 1.74 2gvyB1 LYS 468 HB3 0.07 0.03 0.09 -0.04 1.79 1.93 2gvyB1 LYS 468 HG2 -0.13 -0.16 0.06 -0.04 1.46 1.18 2gvyB1 LYS 468 HG3 -0.23 0.12 0.17 -0.04 1.46 1.48 2gvyB1 LYS 468 HD2 0.00 0.04 0.04 -0.04 1.69 1.73 2gvyB1 LYS 468 HD3 0.00 -0.03 -0.03 -0.04 1.68 1.59 2gvyB1 LYS 468 HE2 -0.04 -0.07 0.02 -0.04 2.99 2.86 2gvyB1 LYS 468 HE3 -0.03 0.05 -0.09 -0.04 2.99 2.88 2gvyB1 LEU 469 H 0.07 0.43 -0.36 -0.55 8.37 7.96 2gvyB1 LEU 469 HA 0.01 0.13 0.63 -0.75 4.35 4.37 2gvyB1 LEU 469 HB2 0.01 0.14 0.09 -0.04 1.64 1.84 2gvyB1 LEU 469 HB3 -0.11 -0.03 0.05 -0.04 1.64 1.51 2gvyB1 LEU 469 HG 0.39 0.06 -0.19 -0.04 1.64 1.86 2gvyB1 LEU 469 HD13 -0.02 -0.01 -0.11 -0.04 0.93 0.75 2gvyB1 LEU 469 HD23 -0.42 -0.00 -0.06 -0.04 0.89 0.37 2gvyB1 ALA 470 H 0.06 0.24 -0.45 -0.55 8.40 7.70 2gvyB1 ALA 470 HA 0.00 -0.05 0.27 -0.75 4.34 3.80 2gvyB1 ALA 470 HB3 0.02 0.00 0.11 -0.04 1.41 1.50 2gvyB1 GLY 471 H -0.01 0.10 0.17 -0.55 8.43 8.15 2gvyB1 GLY 471 HA2 -0.00 -0.07 0.36 -0.51 4.01 3.79 2gvyB1 GLY 471 HA3 0.03 0.08 0.35 -0.51 4.01 3.96 2gvyB1 SER 472 H -0.05 0.57 -0.47 -0.55 8.46 7.96 2gvyB1 SER 472 HA -0.02 0.08 0.49 -0.75 4.49 4.28 2gvyB1 SER 472 HB2 -0.49 -0.08 0.13 -0.04 3.95 3.46 2gvyB1 SER 472 HB3 -0.57 0.12 0.03 -0.04 3.93 3.47 2gvyB1 LYS 473 H -0.11 0.16 0.14 -0.55 8.42 8.05 2gvyB1 LYS 473 HA -0.07 0.14 0.46 -0.75 4.32 4.10 2gvyB1 LYS 473 HB2 -0.07 0.03 0.07 -0.04 1.87 1.87 2gvyB1 LYS 473 HB3 -0.05 -0.03 0.13 -0.04 1.79 1.80 2gvyB1 LYS 473 HG2 -0.03 0.00 -0.00 -0.04 1.46 1.39 2gvyB1 LYS 473 HG3 -0.03 0.02 0.03 -0.04 1.46 1.44 2gvyB1 LYS 473 HD2 -0.03 0.04 0.02 -0.04 1.69 1.68 2gvyB1 LYS 473 HD3 -0.03 -0.03 0.02 -0.04 1.68 1.61 2gvyB1 LYS 473 HE2 -0.02 -0.03 0.01 -0.04 2.99 2.91 2gvyB1 LYS 473 HE3 -0.01 0.03 0.01 -0.04 2.99 2.98 2gvyB1 ILE 474 H -0.22 0.08 -0.42 -0.55 8.25 7.15 2gvyB1 ILE 474 HA -0.12 0.05 0.32 -0.75 4.18 3.68 2gvyB1 ILE 474 HB -0.31 0.02 0.02 -0.04 1.89 1.58 2gvyB1 ILE 474 HG12 -0.17 0.05 -0.07 -0.04 1.49 1.26 2gvyB1 ILE 474 HG13 -0.21 -0.11 -0.08 -0.04 1.21 0.78 2gvyB1 ILE 474 HG23 -0.15 0.01 -0.20 -0.04 0.93 0.54 2gvyB1 ILE 474 HD13 -0.41 0.04 -0.11 -0.04 0.88 0.37 2gvyB1 CYS 475 H -0.08 0.15 0.17 -0.55 8.50 8.20 2gvyB1 CYS 475 HA -0.05 0.03 0.30 -0.75 4.58 4.11 2gvyB1 CYS 475 HB2 -0.07 0.16 -0.22 -0.04 2.97 2.80 2gvyB1 CYS 475 HB3 -0.05 0.01 0.16 -0.04 2.97 3.06 2gvyB1 SER 476 H -0.06 0.17 -0.32 -0.55 8.46 7.71 2gvyB1 SER 476 HA -0.05 0.15 -0.06 -0.75 4.49 3.78 2gvyB1 SER 476 HB2 -0.03 -0.06 -0.00 -0.04 3.95 3.82 2gvyB1 SER 476 HB3 -0.03 -0.03 0.00 -0.04 3.93 3.83