============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. TYR 13 0.840 11.022 10.282 -46.640 -99.200 -91.000 TRP 15 1.040 0.945 14.837 -42.989 -99.200 -91.000 TRP6 15 1.020 0.386 12.824 -41.896 -99.200 -91.000 TYR 47 0.840 13.640 0.309 -29.402 -99.200 -91.000 TYR 50 0.840 3.704 0.287 -21.495 -99.200 -91.000 PHE 74 1.000 -7.617 12.240 -17.360 -99.200 -91.000 PHE 83 1.000 -10.570 20.669 -34.040 -99.200 -91.000 HIS 85 0.900 -1.162 19.206 -30.362 -99.200 -91.000 TRP 94 1.040 4.736 -2.163 -41.007 -99.200 -91.000 TRP6 94 1.020 3.301 -2.515 -39.159 -99.200 -91.000 TYR 104 0.840 -6.419 12.160 -38.015 -99.200 -91.000 TRP 116 1.040 -9.854 7.117 -31.091 -99.200 -91.000 TRP6 116 1.020 -9.248 9.165 -30.046 -99.200 -91.000 HIS 122 0.900 -9.030 0.810 -21.788 -99.200 -91.000 TRP 134 1.040 5.790 -1.661 -18.726 -99.200 -91.000 TRP6 134 1.020 7.914 -1.993 -17.724 -99.200 -91.000 PHE 156 1.000 -4.378 0.548 -19.840 -99.200 -91.000 PHE 178 1.000 -1.022 9.814 -19.301 -99.200 -91.000 HIS 179 0.900 0.734 0.534 -24.476 -99.200 -91.000 HIS 182 0.900 9.516 6.026 -29.404 -99.200 -91.000 PHE 184 1.000 1.030 5.690 -34.611 -99.200 -91.000 TRP 185 1.040 2.745 9.394 -29.532 -99.200 -91.000 TRP6 185 1.020 1.337 11.303 -29.376 -99.200 -91.000 PHE 193 1.000 -2.478 13.576 -26.842 -99.200 -91.000 PHE 198 1.000 -1.733 14.655 -16.319 -99.200 -91.000 TYR 204 0.840 -14.344 18.717 -21.041 -99.200 -91.000 TRP 217 1.040 -14.885 14.851 -34.731 -99.200 -91.000 TRP6 217 1.020 -12.759 15.012 -33.662 -99.200 -91.000 PHE 243 1.000 23.218 15.049 -45.466 -99.200 -91.000 TYR 250 0.840 24.723 8.165 -36.239 -99.200 -91.000 TYR 258 0.840 23.679 -1.514 -33.905 -99.200 -91.000 PHE 265 1.000 23.964 -9.708 -25.609 -99.200 -91.000 HIS 277 0.900 19.160 5.978 -6.911 -99.200 -91.000 PHE 299 1.000 31.696 21.031 -19.518 -99.200 -91.000 HIS 303 0.900 27.339 18.066 -21.246 -99.200 -91.000 HIS 316 0.900 30.278 -5.337 -15.303 -99.200 -91.000 PHE 325 1.000 31.188 4.977 -24.143 -99.200 -91.000 TRP 336 1.040 19.810 21.153 -36.346 -99.200 -91.000 TRP6 336 1.020 20.089 19.989 -34.315 -99.200 -91.000 PHE 345 1.000 7.529 17.747 -36.006 -99.200 -91.000 TYR 346 0.840 2.040 18.041 -29.435 -99.200 -91.000 HIS 367 0.900 31.627 3.331 -7.492 -99.200 -91.000 TYR 389 0.840 26.239 14.762 -26.725 -99.200 -91.000 TRP 392 1.040 28.866 13.943 -34.077 -99.200 -91.000 TRP6 392 1.020 28.425 12.696 -36.044 -99.200 -91.000 PHE 397 1.000 25.913 18.212 -42.258 -99.200 -91.000 HIS 406 0.900 18.439 7.528 -36.173 -99.200 -91.000 PHE 408 1.000 23.239 1.896 -43.046 -99.200 -91.000 TYR 412 0.840 23.545 -3.068 -39.537 -99.200 -91.000 HIS 414 0.900 13.344 -6.101 -43.339 -99.200 -91.000 PHE 420 1.000 23.911 -3.719 -29.514 -99.200 -91.000 PHE 428 1.000 22.488 10.058 -20.639 -99.200 -91.000 PHE 437 1.000 8.827 18.826 -22.999 -99.200 -91.000 HIS 440 0.900 5.533 21.432 -10.569 -99.200 -91.000 PHE 459 1.000 9.198 8.521 -22.102 -99.200 -91.000 TYR 467 0.840 19.920 -0.993 -26.873 -99.200 -91.000 TRP 475 1.040 7.160 15.703 -11.493 -99.200 -91.000 TRP6 475 1.020 6.250 17.246 -13.035 -99.200 -91.000 TYR 485 0.840 16.534 -5.679 -16.568 -99.200 -91.000 TYR 490 0.840 22.101 -6.941 -20.095 -99.200 -91.000 TYR 498 0.840 26.215 0.015 -15.966 -99.200 -91.000 PHE 505 1.000 32.390 5.526 -10.520 -99.200 -91.000 PHE 509 1.000 31.715 16.428 -11.290 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3fp0A1 SER 5 HA 0.01 -0.01 0.16 -0.75 4.49 3.89 3fp0A1 SER 5 HB2 0.01 -0.02 0.01 -0.04 3.95 3.90 3fp0A1 SER 5 HB3 0.01 -0.01 0.04 -0.04 3.93 3.93 3fp0A1 SER 6 H 0.01 0.15 0.08 -0.55 8.46 8.16 3fp0A1 SER 6 HA 0.01 0.04 0.46 -0.75 4.49 4.25 3fp0A1 SER 6 HB2 0.01 -0.01 0.08 -0.04 3.95 3.98 3fp0A1 SER 6 HB3 0.01 0.07 0.11 -0.04 3.93 4.07 3fp0A1 SER 7 H 0.01 0.05 0.16 -0.55 8.46 8.13 3fp0A1 SER 7 HA 0.02 0.23 0.59 -0.75 4.49 4.58 3fp0A1 SER 7 HB2 0.02 0.02 0.09 -0.04 3.95 4.04 3fp0A1 SER 7 HB3 0.01 0.02 0.07 -0.04 3.93 3.99 3fp0A1 ALA 8 H 0.01 -0.08 -0.21 -0.55 8.40 7.58 3fp0A1 ALA 8 HA -0.02 -0.00 0.27 -0.75 4.34 3.83 3fp0A1 ALA 8 HB3 -0.01 -0.00 -0.02 -0.04 1.41 1.34 3fp0A1 LEU 9 H -0.06 0.00 0.09 -0.55 8.37 7.86 3fp0A1 LEU 9 HA 0.01 0.11 0.43 -0.75 4.35 4.14 3fp0A1 LEU 9 HB2 -0.13 -0.09 0.13 -0.04 1.64 1.51 3fp0A1 LEU 9 HB3 -0.10 -0.01 -0.02 -0.04 1.64 1.47 3fp0A1 LEU 9 HG -0.31 -0.03 -0.01 -0.04 1.64 1.24 3fp0A1 LEU 9 HD13 -0.20 -0.01 -0.11 -0.04 0.93 0.57 3fp0A1 LEU 9 HD23 -0.08 0.03 0.03 -0.04 0.89 0.83 3fp0A1 PRO 10 HA 0.04 0.08 0.44 -0.51 4.44 4.49 3fp0A1 PRO 10 HB2 0.08 -0.04 0.03 -0.04 2.28 2.32 3fp0A1 PRO 10 HB3 0.06 0.02 0.10 -0.04 2.02 2.16 3fp0A1 PRO 10 HG2 0.10 -0.01 0.06 -0.04 2.03 2.14 3fp0A1 PRO 10 HG3 0.07 0.09 0.08 -0.04 2.03 2.23 3fp0A1 PRO 10 HD2 0.16 0.01 0.18 -0.04 3.68 3.99 3fp0A1 PRO 10 HD3 0.11 0.21 0.21 -0.04 3.65 4.14 3fp0A1 PRO 11 HA 0.08 0.07 0.54 -0.51 4.44 4.62 3fp0A1 PRO 11 HB2 0.05 0.02 -0.13 -0.04 2.28 2.17 3fp0A1 PRO 11 HB3 0.05 0.03 0.05 -0.04 2.02 2.10 3fp0A1 PRO 11 HG2 0.04 -0.03 -0.05 -0.04 2.03 1.95 3fp0A1 PRO 11 HG3 0.03 0.02 0.00 -0.04 2.03 2.04 3fp0A1 PRO 11 HD2 0.04 0.08 0.20 -0.04 3.68 3.96 3fp0A1 PRO 11 HD3 0.03 0.17 0.12 -0.04 3.65 3.93 3fp0A1 LEU 12 H 0.12 0.14 0.13 -0.55 8.37 8.21 3fp0A1 LEU 12 HA 0.18 0.19 0.70 -0.75 4.35 4.67 3fp0A1 LEU 12 HB2 0.08 -0.03 0.18 -0.04 1.64 1.83 3fp0A1 LEU 12 HB3 0.15 -0.05 -0.07 -0.04 1.64 1.63 3fp0A1 LEU 12 HG 0.10 0.04 0.03 -0.04 1.64 1.76 3fp0A1 LEU 12 HD13 0.02 -0.01 0.05 -0.04 0.93 0.96 3fp0A1 LEU 12 HD23 0.02 -0.00 -0.11 -0.04 0.89 0.76 3fp0A1 VAL 13 H 0.02 0.06 0.01 -0.55 8.24 7.78 3fp0A1 VAL 13 HA -0.04 0.08 0.19 -0.75 4.13 3.60 3fp0A1 PRO 14 HA 0.22 0.04 0.03 -0.51 4.44 4.22 3fp0A1 PRO 14 HB2 0.01 0.03 0.05 -0.04 2.28 2.33 3fp0A1 PRO 14 HB3 0.05 0.03 -0.03 -0.04 2.02 2.03 3fp0A1 PRO 14 HG2 0.01 0.06 0.04 -0.04 2.03 2.10 3fp0A1 PRO 14 HG3 0.05 0.06 -0.04 -0.04 2.03 2.05 3fp0A1 PRO 14 HD2 -0.00 0.11 0.12 -0.04 3.68 3.86 3fp0A1 PRO 14 HD3 0.04 0.21 -0.10 -0.04 3.65 3.75 3fp0A1 ALA 15 H -0.05 0.11 0.01 -0.55 8.40 7.92 3fp0A1 ALA 15 HA -0.04 0.06 0.43 -0.75 4.34 4.04 3fp0A1 ALA 15 HB3 -0.05 0.02 0.06 -0.04 1.41 1.39 3fp0A1 LEU 16 H -0.31 0.27 -0.28 -0.55 8.37 7.50 3fp0A1 LEU 16 HA -0.23 0.02 0.37 -0.75 4.35 3.75 3fp0A1 LEU 16 HB2 -0.50 0.05 0.16 -0.04 1.64 1.31 3fp0A1 LEU 16 HB3 -1.33 0.03 -0.00 -0.04 1.64 0.29 3fp0A1 LEU 16 HG -0.19 -0.05 0.05 -0.04 1.64 1.41 3fp0A1 LEU 16 HD13 -0.15 -0.01 0.02 -0.04 0.93 0.75 3fp0A1 LEU 16 HD23 -0.13 0.00 0.06 -0.04 0.89 0.78 3fp0A1 TYR 17 H -0.29 0.57 -0.26 -0.55 8.29 7.76 3fp0A1 TYR 17 HA -0.11 0.25 0.63 -0.75 4.56 4.58 3fp0A1 TYR 17 HB2 -0.08 -0.10 0.03 -0.04 3.06 2.87 3fp0A1 TYR 17 HB3 -0.12 -0.03 0.10 -0.04 2.98 2.89 3fp0A1 TYR 17 HD2 -0.05 0.13 -0.19 -0.04 7.15 7.00 3fp0A1 TYR 17 HE2 -0.02 -0.06 -0.14 -0.04 6.85 6.60 3fp0A1 ARG 18 H -0.06 0.33 -0.18 -0.55 8.46 8.00 3fp0A1 ARG 18 HA -0.10 -0.00 0.50 -0.75 4.34 3.98 3fp0A1 ARG 18 HB2 0.00 0.09 0.09 -0.04 1.90 2.04 3fp0A1 ARG 18 HB3 0.05 0.02 0.13 -0.04 1.80 1.96 3fp0A1 ARG 18 HG2 0.02 -0.07 -0.04 -0.04 1.67 1.54 3fp0A1 ARG 18 HG3 -0.01 0.08 -0.02 -0.04 1.67 1.68 3fp0A1 ARG 18 HD2 0.00 0.02 0.04 -0.04 3.22 3.24 3fp0A1 ARG 18 HD3 0.04 0.03 0.02 -0.04 3.22 3.27 3fp0A1 TRP 19 H 0.07 0.04 0.17 -0.55 7.97 7.70 3fp0A1 TRP 19 HA 0.00 0.19 0.49 -0.75 4.62 4.55 3fp0A1 TRP 19 HB2 0.00 -0.05 0.11 -0.04 3.23 3.25 3fp0A1 TRP 19 HB3 -0.00 -0.02 -0.06 -0.04 3.23 3.10 3fp0A1 TRP 19 HD1 -0.00 -0.05 0.01 -0.04 7.22 7.14 3fp0A1 TRP 19 HE1 -0.05 0.41 -0.10 -0.04 10.20 10.42 3fp0A1 TRP 19 HE3 -0.00 -0.02 -0.32 -0.04 7.59 7.20 3fp0A1 TRP 19 HZ2 -0.11 0.01 -0.10 -0.04 7.44 7.20 3fp0A1 TRP 19 HZ3 -0.01 0.04 -0.27 -0.04 7.13 6.85 3fp0A1 TRP 19 HH2 -0.05 -0.03 -0.19 -0.04 7.19 6.88 3fp0A1 LYS 20 H 0.27 0.50 0.38 -0.55 8.42 9.02 3fp0A1 LYS 20 HA 0.10 0.07 0.80 -0.75 4.32 4.53 3fp0A1 LYS 20 HB2 0.06 0.10 -0.07 -0.04 1.87 1.92 3fp0A1 LYS 20 HB3 0.07 -0.03 0.12 -0.04 1.79 1.91 3fp0A1 SER 21 H 0.05 0.13 0.15 -0.55 8.46 8.24 3fp0A1 SER 21 HA 0.02 0.24 0.80 -0.75 4.49 4.79 3fp0A1 SER 21 HB2 0.01 -0.01 0.14 -0.04 3.95 4.05 3fp0A1 SER 21 HB3 -0.00 -0.04 0.14 -0.04 3.93 3.98 3fp0A1 THR 22 H 0.00 0.44 0.22 -0.55 8.28 8.40 3fp0A1 THR 22 HA 0.01 0.21 0.70 -0.75 4.39 4.56 3fp0A1 THR 22 HB -0.00 -0.01 0.09 -0.04 4.32 4.36 3fp0A1 THR 22 HG23 0.02 0.03 -0.17 -0.04 1.22 1.07 3fp0A1 GLY 23 H -0.01 0.24 0.02 -0.55 8.43 8.14 3fp0A1 GLY 23 HA2 -0.01 0.18 0.43 -0.51 4.01 4.10 3fp0A1 GLY 23 HA3 -0.02 -0.01 0.37 -0.51 4.01 3.84 3fp0A1 SER 24 H -0.01 0.17 0.15 -0.55 8.46 8.23 3fp0A1 SER 24 HA -0.01 0.17 0.15 -0.75 4.49 4.05 3fp0A1 SER 24 HB2 -0.01 0.06 0.07 -0.04 3.95 4.03 3fp0A1 SER 24 HB3 -0.01 0.03 0.08 -0.04 3.93 3.99 3fp0A1 SER 25 H -0.02 -0.00 -0.11 -0.55 8.46 7.78 3fp0A1 SER 25 HA -0.01 0.17 0.47 -0.75 4.49 4.37 3fp0A1 SER 25 HB2 -0.01 0.10 0.09 -0.04 3.95 4.08 3fp0A1 SER 25 HB3 -0.02 0.02 0.09 -0.04 3.93 3.98 3fp0A1 GLY 26 H -0.02 0.12 -0.26 -0.55 8.43 7.73 3fp0A1 GLY 26 HA2 -0.02 0.06 0.31 -0.51 4.01 3.84 3fp0A1 GLY 26 HA3 -0.02 0.20 0.64 -0.51 4.01 4.32 3fp0A1 ARG 27 H -0.03 -0.06 -0.33 -0.55 8.46 7.49 3fp0A1 ARG 27 HA -0.04 0.15 0.42 -0.75 4.34 4.11 3fp0A1 ARG 27 HB2 -0.06 -0.09 -0.01 -0.04 1.90 1.70 3fp0A1 ARG 27 HB3 -0.08 0.06 -0.02 -0.04 1.80 1.71 3fp0A1 ARG 27 HG2 -0.01 0.03 -0.06 -0.04 1.67 1.58 3fp0A1 ARG 27 HG3 -0.02 0.03 -0.14 -0.04 1.67 1.50 3fp0A1 ARG 27 HD2 -0.04 -0.05 -0.05 -0.04 3.22 3.04 3fp0A1 ARG 27 HD3 -0.02 0.09 -0.11 -0.04 3.22 3.14 3fp0A1 GLN 28 H -0.06 -0.05 -0.11 -0.55 8.47 7.70 3fp0A1 GLN 28 HA -0.13 0.39 1.14 -0.75 4.36 5.00 3fp0A1 GLN 28 HB2 -0.10 -0.01 -0.00 -0.04 2.15 1.99 3fp0A1 GLN 28 HB3 -0.05 -0.15 0.03 -0.04 2.02 1.81 3fp0A1 GLN 28 HG2 -0.03 0.01 -0.28 -0.04 2.40 2.05 3fp0A1 GLN 28 HG3 -0.10 0.13 -0.05 -0.04 2.39 2.32 3fp0A1 GLN 28 HE21 -0.07 0.00 -0.08 -0.04 6.97 6.79 3fp0A1 GLN 28 HE22 -0.11 -0.00 -0.08 -0.04 7.69 7.46 3fp0A1 VAL 29 H -0.06 0.78 0.36 -0.55 8.24 8.78 3fp0A1 VAL 29 HA 0.05 0.25 0.90 -0.75 4.13 4.58 3fp0A1 VAL 29 HB 0.13 -0.03 -0.05 -0.04 2.12 2.13 3fp0A1 VAL 29 HG13 -0.07 -0.01 -0.28 -0.04 0.97 0.57 3fp0A1 VAL 29 HG23 -0.40 0.01 -0.05 -0.04 0.95 0.46 3fp0A1 GLN 30 H 0.21 0.56 0.39 -0.55 8.47 9.09 3fp0A1 GLN 30 HA 0.33 0.26 0.96 -0.75 4.36 5.16 3fp0A1 GLN 30 HB2 0.06 0.05 0.02 -0.04 2.15 2.23 3fp0A1 GLN 30 HB3 0.07 -0.04 -0.18 -0.04 2.02 1.83 3fp0A1 GLN 30 HG2 0.06 0.00 -0.07 -0.04 2.40 2.34 3fp0A1 GLN 30 HG3 0.06 0.02 -0.21 -0.04 2.39 2.22 3fp0A1 GLN 30 HE21 0.00 -0.03 -0.11 -0.04 6.97 6.79 3fp0A1 GLN 30 HE22 0.01 0.02 -0.15 -0.04 7.69 7.52 3fp0A1 ARG 31 H 0.03 0.71 0.35 -0.55 8.46 9.00 3fp0A1 ARG 31 HA -0.06 0.20 0.55 -0.75 4.34 4.26 3fp0A1 ARG 31 HB2 -0.34 0.19 -0.24 -0.04 1.90 1.46 3fp0A1 ARG 31 HB3 -0.57 -0.05 -0.36 -0.04 1.80 0.78 3fp0A1 ARG 31 HG2 -0.78 -0.02 -0.08 -0.04 1.67 0.76 3fp0A1 ARG 31 HG3 -0.41 -0.06 -0.33 -0.04 1.67 0.83 3fp0A1 ARG 31 HD2 -0.77 0.13 -0.10 -0.04 3.22 2.44 3fp0A1 ARG 31 HD3 -2.61 -0.04 -0.16 -0.04 3.22 0.37 3fp0A1 ARG 32 H -0.05 0.29 0.15 -0.55 8.46 8.30 3fp0A1 ARG 32 HA -0.04 0.09 0.67 -0.75 4.34 4.31 3fp0A1 ARG 32 HB2 -0.02 -0.05 0.13 -0.04 1.90 1.92 3fp0A1 ARG 32 HB3 0.05 0.10 0.15 -0.04 1.80 2.05 3fp0A1 ARG 32 HG2 0.06 -0.09 -0.03 -0.04 1.67 1.56 3fp0A1 ARG 32 HG3 0.11 0.20 -0.21 -0.04 1.67 1.73 3fp0A1 ARG 32 HD2 0.03 -0.04 -0.04 -0.04 3.22 3.12 3fp0A1 ARG 32 HD3 -0.00 0.16 -0.11 -0.04 3.22 3.22 3fp0A1 CYS 33 H -0.06 0.65 0.24 -0.55 8.50 8.78 3fp0A1 CYS 33 HA -0.11 0.05 0.22 -0.75 4.58 3.98 3fp0A1 CYS 33 HB2 -0.10 -0.08 0.01 -0.04 2.97 2.75 3fp0A1 CYS 33 HB3 -0.11 0.08 -0.04 -0.04 2.97 2.85 3fp0A1 VAL 34 H -0.13 0.16 0.14 -0.55 8.24 7.86 3fp0A1 VAL 34 HA -0.23 0.21 0.86 -0.75 4.13 4.22 3fp0A1 VAL 34 HB -0.84 0.20 -0.20 -0.04 2.12 1.24 3fp0A1 VAL 34 HG13 -0.21 -0.03 -0.03 -0.04 0.97 0.66 3fp0A1 VAL 34 HG23 -0.72 -0.01 -0.01 -0.04 0.95 0.16 3fp0A1 GLY 35 H -0.13 0.24 0.15 -0.55 8.43 8.15 3fp0A1 GLY 35 HA2 0.01 0.22 0.42 -0.51 4.01 4.15 3fp0A1 GLY 35 HA3 -0.03 0.00 0.35 -0.51 4.01 3.82 3fp0A1 ALA 36 H 0.06 0.17 0.15 -0.55 8.40 8.23 3fp0A1 ALA 36 HA -0.17 0.07 0.27 -0.75 4.34 3.76 3fp0A1 ALA 36 HB3 -0.16 0.02 0.06 -0.04 1.41 1.29 3fp0A1 GLU 37 H -0.05 0.35 -0.29 -0.55 8.60 8.07 3fp0A1 GLU 37 HA -0.07 0.11 0.44 -0.75 4.29 4.02 3fp0A1 GLU 37 HB2 -0.08 -0.08 0.03 -0.04 2.09 1.92 3fp0A1 GLU 37 HB3 -0.09 0.03 -0.01 -0.04 1.99 1.88 3fp0A1 GLU 37 HG2 -0.06 0.26 0.10 -0.04 2.34 2.60 3fp0A1 GLU 37 HG3 -0.03 -0.11 0.07 -0.04 2.34 2.23 3fp0A1 ALA 38 H -0.03 0.54 -0.54 -0.55 8.40 7.82 3fp0A1 ALA 38 HA 0.02 -0.01 0.16 -0.75 4.34 3.76 3fp0A1 ALA 38 HB3 0.02 0.04 -0.11 -0.04 1.41 1.31 3fp0A1 ILE 39 H -0.01 0.15 -0.37 -0.55 8.25 7.47 3fp0A1 ILE 39 HA 0.06 0.10 0.46 -0.75 4.18 4.05 3fp0A1 ILE 39 HB -0.07 0.04 0.09 -0.04 1.89 1.91 3fp0A1 ILE 39 HG12 0.06 0.03 -0.16 -0.04 1.49 1.38 3fp0A1 ILE 39 HG13 0.00 0.01 -0.07 -0.04 1.21 1.11 3fp0A1 ILE 39 HG23 0.13 0.01 -0.18 -0.04 0.93 0.86 3fp0A1 ILE 39 HD13 -0.15 -0.03 -0.05 -0.04 0.88 0.61 3fp0A1 VAL 40 H -0.02 0.43 -0.06 -0.55 8.24 8.03 3fp0A1 VAL 40 HA 0.20 0.08 0.26 -0.75 4.13 3.91 3fp0A1 VAL 40 HB 0.08 -0.04 -0.06 -0.04 2.12 2.06 3fp0A1 VAL 40 HG13 -0.24 -0.00 -0.05 -0.04 0.97 0.64 3fp0A1 VAL 40 HG23 -0.07 0.06 -0.17 -0.04 0.95 0.73 3fp0A1 GLY 41 H 0.06 0.30 -0.60 -0.55 8.43 7.64 3fp0A1 GLY 41 HA2 0.18 0.02 0.29 -0.51 4.01 3.99 3fp0A1 GLY 41 HA3 0.11 -0.03 0.24 -0.51 4.01 3.81 3fp0A1 LEU 42 H 0.13 0.37 -0.42 -0.55 8.37 7.90 3fp0A1 LEU 42 HA 0.12 0.10 0.42 -0.75 4.35 4.23 3fp0A1 LEU 42 HB2 0.07 0.01 0.11 -0.04 1.64 1.78 3fp0A1 LEU 42 HB3 0.05 -0.10 0.01 -0.04 1.64 1.56 3fp0A1 LEU 42 HG 0.09 0.23 0.25 -0.04 1.64 2.17 3fp0A1 LEU 42 HD13 0.07 -0.01 0.00 -0.04 0.93 0.96 3fp0A1 LEU 42 HD23 0.09 0.01 0.03 -0.04 0.89 0.97 3fp0A1 GLU 43 H -0.20 0.21 0.23 -0.55 8.60 8.30 3fp0A1 GLU 43 HA -0.93 0.14 0.18 -0.75 4.29 2.92 3fp0A1 GLU 43 HB2 -1.67 0.09 0.15 -0.04 2.09 0.62 3fp0A1 GLU 43 HB3 -0.61 -0.03 0.13 -0.04 1.99 1.44 3fp0A1 GLU 43 HG2 -0.87 -0.02 -0.22 -0.04 2.34 1.20 3fp0A1 GLU 43 HG3 -2.97 -0.00 0.02 -0.04 2.34 -0.65 3fp0A1 GLU 44 H -0.19 0.14 -0.05 -0.55 8.60 7.95 3fp0A1 GLU 44 HA -0.19 0.10 0.36 -0.75 4.29 3.80 3fp0A1 GLU 44 HB2 -0.10 0.04 0.05 -0.04 2.09 2.04 3fp0A1 GLU 44 HB3 -0.09 0.03 0.07 -0.04 1.99 1.96 3fp0A1 GLU 44 HG2 -0.14 -0.02 0.03 -0.04 2.34 2.18 3fp0A1 GLU 44 HG3 -0.10 0.03 0.02 -0.04 2.34 2.25 3fp0A1 LYS 45 H -0.07 0.26 -0.45 -0.55 8.42 7.60 3fp0A1 LYS 45 HA -0.04 0.12 0.63 -0.75 4.32 4.28 3fp0A1 LYS 45 HB2 0.00 0.16 0.04 -0.04 1.87 2.03 3fp0A1 LYS 45 HB3 -0.05 -0.06 -0.06 -0.04 1.79 1.58 3fp0A1 LYS 45 HG2 -0.05 -0.01 -0.07 -0.04 1.46 1.29 3fp0A1 LYS 45 HG3 -0.04 -0.09 -0.16 -0.04 1.46 1.14 3fp0A1 LYS 45 HD2 0.01 0.00 -0.05 -0.04 1.69 1.61 3fp0A1 LYS 45 HD3 -0.01 -0.02 -0.05 -0.04 1.68 1.56 3fp0A1 LYS 45 HE2 -0.03 -0.06 -0.04 -0.04 2.99 2.82 3fp0A1 LYS 45 HE3 -0.03 -0.04 -0.03 -0.04 2.99 2.85 3fp0A1 ASN 46 H 0.03 0.72 -0.00 -0.55 8.53 8.73 3fp0A1 ASN 46 HA 0.13 0.04 0.45 -0.75 4.76 4.63 3fp0A1 ASN 46 HB2 0.26 0.16 -0.04 -0.04 2.88 3.22 3fp0A1 ASN 46 HB3 0.40 0.03 -0.03 -0.04 2.79 3.15 3fp0A1 ASN 46 HD21 0.07 -0.26 -0.05 -0.04 7.03 6.75 3fp0A1 ASN 46 HD22 0.14 0.51 0.02 -0.04 7.74 8.36 3fp0A1 ARG 47 H -0.07 0.59 -0.18 -0.55 8.46 8.25 3fp0A1 ARG 47 HA 0.10 0.03 0.16 -0.75 4.34 3.87 3fp0A1 ARG 47 HB2 -0.12 0.01 0.02 -0.04 1.90 1.78 3fp0A1 ARG 47 HB3 -0.03 -0.05 -0.01 -0.04 1.80 1.66 3fp0A1 ARG 47 HG2 0.02 0.03 0.03 -0.04 1.67 1.70 3fp0A1 ARG 47 HG3 -0.42 0.06 0.06 -0.04 1.67 1.32 3fp0A1 ARG 47 HD2 -0.27 -0.08 -0.06 -0.04 3.22 2.77 3fp0A1 ARG 47 HD3 -0.08 0.03 0.06 -0.04 3.22 3.19 3fp0A1 ARG 48 H 0.01 0.23 -0.73 -0.55 8.46 7.42 3fp0A1 ARG 48 HA 0.03 0.18 0.70 -0.75 4.34 4.49 3fp0A1 ARG 48 HB2 -0.02 0.10 0.11 -0.04 1.90 2.05 3fp0A1 ARG 48 HB3 -0.01 -0.08 0.14 -0.04 1.80 1.81 3fp0A1 ARG 48 HG2 -0.01 -0.01 -0.08 -0.04 1.67 1.53 3fp0A1 ARG 48 HG3 -0.03 -0.05 -0.23 -0.04 1.67 1.32 3fp0A1 ARG 48 HD2 -0.04 0.16 0.05 -0.04 3.22 3.35 3fp0A1 ARG 48 HD3 -0.03 -0.07 0.00 -0.04 3.22 3.09 3fp0A1 ALA 49 H 0.09 0.39 -0.39 -0.55 8.40 7.95 3fp0A1 ALA 49 HA 0.16 0.04 0.29 -0.75 4.34 4.07 3fp0A1 ALA 49 HB3 0.18 0.02 -0.05 -0.04 1.41 1.52 3fp0A1 LEU 50 H 0.03 0.53 -0.15 -0.55 8.37 8.22 3fp0A1 LEU 50 HA -0.04 -0.01 0.34 -0.75 4.35 3.89 3fp0A1 LEU 50 HB2 -0.13 0.05 0.01 -0.04 1.64 1.53 3fp0A1 LEU 50 HB3 -0.11 0.02 -0.05 -0.04 1.64 1.45 3fp0A1 LEU 50 HG -1.10 0.02 -0.26 -0.04 1.64 0.27 3fp0A1 LEU 50 HD13 -0.50 0.01 0.02 -0.04 0.93 0.43 3fp0A1 LEU 50 HD23 -0.28 0.02 -0.09 -0.04 0.89 0.50 3fp0A1 TYR 51 H 0.04 0.40 0.24 -0.55 8.29 8.42 3fp0A1 TYR 51 HA 0.19 0.04 0.33 -0.75 4.56 4.36 3fp0A1 TYR 51 HB2 0.12 0.22 -0.08 -0.04 3.06 3.28 3fp0A1 TYR 51 HB3 0.23 -0.10 0.12 -0.04 2.98 3.20 3fp0A1 TYR 51 HD2 0.08 0.06 -0.07 -0.04 7.15 7.19 3fp0A1 TYR 51 HE2 0.10 0.01 -0.07 -0.04 6.85 6.85 3fp0A1 ASP 52 H 0.25 0.45 -0.48 -0.55 8.40 8.07 3fp0A1 ASP 52 HA 0.20 -0.09 0.48 -0.75 4.63 4.46 3fp0A1 ASP 52 HB2 0.34 0.07 0.11 -0.04 2.71 3.19 3fp0A1 ASP 52 HB3 0.23 0.02 -0.10 -0.04 2.70 2.81 3fp0A1 LEU 53 H -0.02 0.70 0.32 -0.55 8.37 8.82 3fp0A1 LEU 53 HA -0.20 0.12 0.74 -0.75 4.35 4.26 3fp0A1 LEU 53 HB2 -0.25 -0.02 -0.00 -0.04 1.64 1.32 3fp0A1 LEU 53 HB3 -0.53 -0.07 -0.13 -0.04 1.64 0.86 3fp0A1 LEU 53 HG -0.23 0.06 -0.09 -0.04 1.64 1.35 3fp0A1 LEU 53 HD13 -0.29 -0.01 -0.28 -0.04 0.93 0.31 3fp0A1 LEU 53 HD23 -0.27 -0.01 -0.17 -0.04 0.89 0.41 3fp0A1 TYR 54 H -0.26 0.83 0.34 -0.55 8.29 8.66 3fp0A1 TYR 54 HA -0.07 0.40 0.93 -0.75 4.56 5.06 3fp0A1 TYR 54 HB2 -0.61 0.01 0.10 -0.04 3.06 2.52 3fp0A1 TYR 54 HB3 -0.32 -0.10 -0.02 -0.04 2.98 2.50 3fp0A1 TYR 54 HD2 -0.03 0.03 -0.23 -0.04 7.15 6.88 3fp0A1 TYR 54 HE2 0.03 0.01 -0.15 -0.04 6.85 6.70 3fp0A1 ILE 55 H 0.00 0.54 0.16 -0.55 8.25 8.41 3fp0A1 ILE 55 HA -0.16 0.25 1.06 -0.75 4.18 4.58 3fp0A1 ILE 55 HB -0.06 -0.01 0.05 -0.04 1.89 1.83 3fp0A1 ILE 55 HG12 -0.47 -0.00 -0.16 -0.04 1.49 0.81 3fp0A1 ILE 55 HG13 -0.39 -0.01 -0.35 -0.04 1.21 0.42 3fp0A1 ILE 55 HG23 -0.04 -0.01 -0.23 -0.04 0.93 0.61 3fp0A1 ILE 55 HD13 -0.14 0.00 -0.22 -0.04 0.88 0.49 3fp0A1 ALA 56 H -0.02 0.62 0.25 -0.55 8.40 8.70 3fp0A1 ALA 56 HA 0.07 0.25 0.89 -0.75 4.34 4.79 3fp0A1 ALA 56 HB3 -0.01 -0.04 0.02 -0.04 1.41 1.34 3fp0A1 THR 57 H 0.11 0.74 0.39 -0.55 8.28 8.97 3fp0A1 THR 57 HA 0.06 0.42 1.09 -0.75 4.39 5.20 3fp0A1 THR 57 HB 0.23 0.04 0.03 -0.04 4.32 4.58 3fp0A1 THR 57 HG23 0.22 0.00 -0.19 -0.04 1.22 1.21 3fp0A1 SER 58 H 0.06 0.34 0.23 -0.55 8.46 8.55 3fp0A1 SER 58 HA 0.05 0.16 1.06 -0.75 4.49 5.01 3fp0A1 SER 58 HB2 0.04 -0.07 0.02 -0.04 3.95 3.91 3fp0A1 SER 58 HB3 0.06 -0.06 0.15 -0.04 3.93 4.04 3fp0A1 LEU 59 H 0.04 0.67 0.37 -0.55 8.37 8.90 3fp0A1 LEU 59 HA 0.06 0.24 1.14 -0.75 4.35 5.03 3fp0A1 LEU 59 HB2 0.02 0.00 0.09 -0.04 1.64 1.71 3fp0A1 LEU 59 HB3 -0.01 -0.01 -0.07 -0.04 1.64 1.50 3fp0A1 LEU 59 HG 0.05 0.00 -0.25 -0.04 1.64 1.41 3fp0A1 LEU 59 HD13 -0.04 -0.01 -0.16 -0.04 0.93 0.68 3fp0A1 LEU 59 HD23 -0.07 -0.01 -0.23 -0.04 0.89 0.54 3fp0A1 ARG 60 H 0.04 0.53 0.37 -0.55 8.46 8.84 3fp0A1 ARG 60 HA 0.02 0.29 1.00 -0.75 4.34 4.90 3fp0A1 ARG 60 HB2 0.03 -0.02 -0.08 -0.04 1.90 1.80 3fp0A1 ARG 60 HB3 0.03 -0.07 0.08 -0.04 1.80 1.79 3fp0A1 ARG 60 HG2 0.02 -0.01 -0.30 -0.04 1.67 1.33 3fp0A1 ARG 60 HG3 0.02 0.14 -0.24 -0.04 1.67 1.55 3fp0A1 ARG 60 HD2 0.02 -0.04 -0.06 -0.04 3.22 3.10 3fp0A1 ARG 60 HD3 0.01 0.02 -0.01 -0.04 3.22 3.21 3fp0A1 ASN 61 H 0.02 0.84 0.23 -0.55 8.53 9.07 3fp0A1 ASN 61 HA 0.01 0.15 0.82 -0.75 4.76 4.99 3fp0A1 ASN 61 HB2 0.02 -0.01 0.06 -0.04 2.88 2.90 3fp0A1 ASN 61 HB3 0.02 0.04 0.24 -0.04 2.79 3.04 3fp0A1 ASN 61 HD21 0.01 0.05 -0.11 -0.04 7.03 6.94 3fp0A1 ASN 61 HD22 0.02 0.20 -0.34 -0.04 7.74 7.58 3fp0A1 ILE 62 H 0.01 0.52 0.28 -0.55 8.25 8.51 3fp0A1 ILE 62 HA 0.01 0.11 0.89 -0.75 4.18 4.43 3fp0A1 ILE 62 HB 0.01 -0.01 0.09 -0.04 1.89 1.94 3fp0A1 ILE 62 HG12 0.01 -0.04 -0.29 -0.04 1.49 1.13 3fp0A1 ILE 62 HG13 0.01 0.11 -0.61 -0.04 1.21 0.68 3fp0A1 ILE 62 HG23 0.01 -0.01 -0.20 -0.04 0.93 0.69 3fp0A1 ILE 62 HD13 0.01 -0.02 -0.15 -0.04 0.88 0.68 3fp0A1 ALA 63 H 0.01 0.03 -0.02 -0.55 8.40 7.88 3fp0A1 ALA 63 HA 0.01 0.34 0.53 -0.75 4.34 4.46 3fp0A1 ALA 63 HB3 0.01 -0.02 0.12 -0.04 1.41 1.48 3fp0A1 PRO 64 HA 0.00 0.06 0.49 -0.51 4.44 4.48 3fp0A1 PRO 64 HB2 0.00 -0.10 -0.02 -0.04 2.28 2.12 3fp0A1 PRO 64 HB3 0.00 0.03 0.11 -0.04 2.02 2.12 3fp0A1 PRO 64 HG2 0.00 0.02 0.05 -0.04 2.03 2.06 3fp0A1 PRO 64 HG3 0.00 0.08 0.11 -0.04 2.03 2.17 3fp0A1 PRO 64 HD2 0.00 0.03 0.18 -0.04 3.68 3.85 3fp0A1 PRO 64 HD3 0.00 0.32 0.22 -0.04 3.65 4.15 3fp0A1 ALA 65 H 0.00 0.13 0.18 -0.55 8.40 8.16 3fp0A1 ALA 65 HA 0.01 0.14 0.50 -0.75 4.34 4.24 3fp0A1 ALA 65 HB3 0.00 0.00 0.11 -0.04 1.41 1.49 3fp0A1 SER 66 H 0.00 -0.00 -0.35 -0.55 8.46 7.57 3fp0A1 SER 66 HA 0.00 0.14 0.45 -0.75 4.49 4.33 3fp0A1 SER 66 HB2 0.00 0.01 0.09 -0.04 3.95 4.02 3fp0A1 SER 66 HB3 0.00 -0.02 0.03 -0.04 3.93 3.90 3fp0A1 THR 67 H 0.01 0.54 -0.53 -0.55 8.28 7.75 3fp0A1 THR 67 HA 0.01 0.05 0.76 -0.75 4.39 4.46 3fp0A1 THR 67 HB 0.01 0.10 0.03 -0.04 4.32 4.42 3fp0A1 THR 67 HG23 0.01 -0.03 -0.17 -0.04 1.22 0.99 3fp0A1 LEU 68 H 0.01 0.13 0.09 -0.55 8.37 8.05 3fp0A1 LEU 68 HA 0.01 0.21 0.75 -0.75 4.35 4.57 3fp0A1 LEU 68 HB2 0.01 0.08 -0.05 -0.04 1.64 1.64 3fp0A1 LEU 68 HB3 0.01 -0.05 0.13 -0.04 1.64 1.69 3fp0A1 LEU 68 HG 0.01 -0.09 -0.19 -0.04 1.64 1.33 3fp0A1 LEU 68 HD13 0.01 0.03 -0.10 -0.04 0.93 0.82 3fp0A1 LEU 68 HD23 0.01 0.00 -0.04 -0.04 0.89 0.83 3fp0A1 LEU 69 H 0.02 0.32 0.18 -0.55 8.37 8.34 3fp0A1 LEU 69 HA 0.03 0.12 0.96 -0.75 4.35 4.71 3fp0A1 LEU 69 HB2 0.02 0.07 0.08 -0.04 1.64 1.77 3fp0A1 LEU 69 HB3 0.03 -0.00 -0.01 -0.04 1.64 1.62 3fp0A1 LEU 69 HG 0.02 0.03 -0.39 -0.04 1.64 1.25 3fp0A1 LEU 69 HD13 0.02 0.01 -0.11 -0.04 0.93 0.82 3fp0A1 LEU 69 HD23 0.03 0.02 -0.12 -0.04 0.89 0.77 3fp0A1 THR 70 H 0.03 0.14 0.16 -0.55 8.28 8.07 3fp0A1 THR 70 HA 0.02 0.38 0.60 -0.75 4.39 4.64 3fp0A1 THR 70 HB 0.02 0.14 0.02 -0.04 4.32 4.46 3fp0A1 THR 70 HG23 0.02 0.05 -0.44 -0.04 1.22 0.80 3fp0A1 LEU 71 H 0.03 0.28 0.11 -0.55 8.37 8.24 3fp0A1 LEU 71 HA 0.04 0.09 0.43 -0.75 4.35 4.16 3fp0A1 LEU 71 HB2 0.02 -0.04 0.15 -0.04 1.64 1.73 3fp0A1 LEU 71 HB3 0.03 0.03 -0.02 -0.04 1.64 1.64 3fp0A1 LEU 71 HG 0.02 -0.01 0.02 -0.04 1.64 1.64 3fp0A1 LEU 71 HD13 0.02 0.00 -0.19 -0.04 0.93 0.72 3fp0A1 LEU 71 HD23 0.02 0.03 -0.21 -0.04 0.89 0.69 3fp0A1 GLN 72 H 0.02 0.56 0.07 -0.55 8.47 8.58 3fp0A1 GLN 72 HA 0.02 0.10 0.49 -0.75 4.36 4.22 3fp0A1 GLN 72 HB2 0.02 -0.01 0.05 -0.04 2.15 2.16 3fp0A1 GLN 72 HB3 0.02 0.04 0.11 -0.04 2.02 2.15 3fp0A1 GLN 72 HG2 0.01 -0.02 -0.21 -0.04 2.40 2.14 3fp0A1 GLN 72 HG3 0.01 0.01 -0.01 -0.04 2.39 2.36 3fp0A1 GLN 72 HE21 0.01 0.02 -0.04 -0.04 6.97 6.92 3fp0A1 GLN 72 HE22 0.01 -0.02 -0.06 -0.04 7.69 7.58 3fp0A1 ASN 73 H 0.03 0.08 -0.19 -0.55 8.53 7.89 3fp0A1 ASN 73 HA 0.02 0.12 0.60 -0.75 4.76 4.75 3fp0A1 ASN 73 HB2 0.02 -0.00 0.10 -0.04 2.88 2.96 3fp0A1 ASN 73 HB3 0.02 0.02 0.04 -0.04 2.79 2.84 3fp0A1 ASN 73 HD21 0.02 0.33 0.01 -0.04 7.03 7.35 3fp0A1 ASN 73 HD22 0.02 -0.01 -0.01 -0.04 7.74 7.70 3fp0A1 LEU 74 H 0.06 0.56 -0.10 -0.55 8.37 8.34 3fp0A1 LEU 74 HA 0.11 0.02 0.62 -0.75 4.35 4.35 3fp0A1 LEU 74 HB2 0.10 0.10 0.14 -0.04 1.64 1.94 3fp0A1 LEU 74 HB3 0.24 0.00 -0.06 -0.04 1.64 1.78 3fp0A1 LEU 74 HG 0.07 -0.05 0.05 -0.04 1.64 1.67 3fp0A1 LEU 74 HD13 0.08 -0.01 -0.18 -0.04 0.93 0.78 3fp0A1 LEU 74 HD23 0.13 -0.01 -0.06 -0.04 0.89 0.92 3fp0A1 LYS 75 H 0.06 0.63 -0.13 -0.55 8.42 8.42 3fp0A1 LYS 75 HA 0.07 0.04 0.38 -0.75 4.32 4.05 3fp0A1 LYS 75 HB2 0.00 -0.00 0.02 -0.04 1.87 1.85 3fp0A1 LYS 75 HB3 0.01 0.08 0.18 -0.04 1.79 2.02 3fp0A1 LYS 75 HG2 -0.03 -0.04 -0.19 -0.04 1.46 1.16 3fp0A1 LYS 75 HG3 -0.06 -0.01 -0.09 -0.04 1.46 1.26 3fp0A1 LYS 75 HD2 -0.08 0.05 -0.21 -0.04 1.69 1.41 3fp0A1 LYS 75 HD3 -0.02 -0.11 -0.04 -0.04 1.68 1.47 3fp0A1 LYS 75 HE2 -0.03 -0.04 0.08 -0.04 2.99 2.96 3fp0A1 LYS 75 HE3 -0.03 -0.12 0.02 -0.04 2.99 2.82 3fp0A1 GLU 76 H 0.02 0.52 -0.05 -0.55 8.60 8.55 3fp0A1 GLU 76 HA -0.02 0.04 0.45 -0.75 4.29 4.02 3fp0A1 GLU 76 HB2 0.00 0.03 0.12 -0.04 2.09 2.20 3fp0A1 GLU 76 HB3 0.01 0.07 0.19 -0.04 1.99 2.22 3fp0A1 GLU 76 HG2 -0.03 -0.01 -0.23 -0.04 2.34 2.03 3fp0A1 GLU 76 HG3 -0.02 -0.00 0.03 -0.04 2.34 2.31 3fp0A1 MET 77 H 0.03 0.48 -0.26 -0.55 8.47 8.17 3fp0A1 MET 77 HA -0.08 -0.02 0.37 -0.75 4.52 4.03 3fp0A1 MET 77 HB2 -0.05 0.09 0.14 -0.04 2.15 2.29 3fp0A1 MET 77 HB3 -0.06 -0.02 -0.01 -0.04 2.03 1.91 3fp0A1 MET 77 HG2 0.06 0.00 -0.10 -0.04 2.63 2.56 3fp0A1 MET 77 HG3 0.02 0.25 0.11 -0.04 2.56 2.91 3fp0A1 MET 77 HE3 0.03 -0.01 -0.14 -0.04 2.10 1.93 3fp0A1 PHE 78 H 0.16 0.69 -0.07 -0.55 8.34 8.57 3fp0A1 PHE 78 HA 0.05 -0.01 0.50 -0.75 4.62 4.40 3fp0A1 PHE 78 HB2 -0.02 0.15 0.10 -0.04 3.15 3.34 3fp0A1 PHE 78 HB3 -0.01 0.01 -0.06 -0.04 3.06 2.96 3fp0A1 PHE 78 HD2 0.08 0.08 -0.04 -0.04 7.28 7.36 3fp0A1 PHE 78 HE2 0.24 -0.03 -0.15 -0.04 7.38 7.41 3fp0A1 PHE 78 HZ 0.24 -0.02 -0.12 -0.04 7.32 7.38 3fp0A1 GLU 79 H 0.04 0.59 -0.23 -0.55 8.60 8.45 3fp0A1 GLU 79 HA -0.03 0.09 0.52 -0.75 4.29 4.13 3fp0A1 GLU 79 HB2 -0.04 0.14 0.13 -0.04 2.09 2.28 3fp0A1 GLU 79 HB3 -0.04 -0.09 -0.09 -0.04 1.99 1.74 3fp0A1 GLU 79 HG2 -0.10 0.07 -0.17 -0.04 2.34 2.09 3fp0A1 GLU 79 HG3 -0.04 0.26 0.00 -0.04 2.34 2.52 3fp0A1 LEU 80 H -0.15 0.42 -0.18 -0.55 8.37 7.91 3fp0A1 LEU 80 HA -0.16 0.02 0.45 -0.75 4.35 3.90 3fp0A1 LEU 80 HB2 -0.77 0.18 0.20 -0.04 1.64 1.21 3fp0A1 LEU 80 HB3 -1.52 -0.03 0.00 -0.04 1.64 0.05 3fp0A1 LEU 80 HG -0.22 0.08 0.07 -0.04 1.64 1.53 3fp0A1 LEU 80 HD13 -0.28 -0.03 -0.01 -0.04 0.93 0.57 3fp0A1 LEU 80 HD23 -0.19 -0.01 -0.01 -0.04 0.89 0.64 3fp0A1 ALA 81 H -0.11 0.51 -0.10 -0.55 8.40 8.16 3fp0A1 ALA 81 HA 0.17 0.03 0.40 -0.75 4.34 4.19 3fp0A1 ALA 81 HB3 0.06 0.01 0.02 -0.04 1.41 1.47 3fp0A1 LEU 82 H 0.11 0.51 -0.34 -0.55 8.37 8.11 3fp0A1 LEU 82 HA 0.26 0.02 0.35 -0.75 4.35 4.22 3fp0A1 LEU 82 HB2 0.14 0.07 0.09 -0.04 1.64 1.90 3fp0A1 LEU 82 HB3 0.07 0.11 0.13 -0.04 1.64 1.91 3fp0A1 LEU 82 HG 0.21 -0.05 -0.18 -0.04 1.64 1.58 3fp0A1 LEU 82 HD13 0.53 -0.01 -0.03 -0.04 0.93 1.37 3fp0A1 LEU 82 HD23 -0.41 0.02 -0.03 -0.04 0.89 0.43 3fp0A1 LEU 83 H 0.20 0.40 -0.28 -0.55 8.37 8.15 3fp0A1 LEU 83 HA 0.61 0.04 0.53 -0.75 4.35 4.78 3fp0A1 LEU 83 HB2 0.19 0.14 0.16 -0.04 1.64 2.10 3fp0A1 LEU 83 HB3 0.43 -0.08 0.02 -0.04 1.64 1.96 3fp0A1 LEU 83 HG 0.25 0.19 0.07 -0.04 1.64 2.10 3fp0A1 LEU 83 HD13 0.15 -0.04 -0.04 -0.04 0.93 0.96 3fp0A1 LEU 83 HD23 0.49 -0.00 -0.12 -0.04 0.89 1.21 3fp0A1 ASP 84 H 0.18 0.50 -0.13 -0.55 8.40 8.41 3fp0A1 ASP 84 HA 0.11 -0.01 0.42 -0.75 4.63 4.40 3fp0A1 ASP 84 HB2 0.16 0.14 0.15 -0.04 2.71 3.12 3fp0A1 ASP 84 HB3 0.10 -0.03 -0.01 -0.04 2.70 2.71 3fp0A1 ALA 85 H 0.21 0.56 -0.23 -0.55 8.40 8.40 3fp0A1 ALA 85 HA 0.12 -0.00 0.38 -0.75 4.34 4.08 3fp0A1 ALA 85 HB3 -0.04 0.01 0.01 -0.04 1.41 1.35 3fp0A1 ARG 86 H 0.45 0.56 -0.24 -0.55 8.46 8.68 3fp0A1 ARG 86 HA 0.27 0.06 0.29 -0.75 4.34 4.21 3fp0A1 ARG 86 HB2 0.34 0.09 0.06 -0.04 1.90 2.35 3fp0A1 ARG 86 HB3 0.49 0.04 0.11 -0.04 1.80 2.40 3fp0A1 ARG 86 HG2 0.06 -0.05 -0.21 -0.04 1.67 1.42 3fp0A1 ARG 86 HG3 -0.21 -0.03 -0.04 -0.04 1.67 1.35 3fp0A1 ARG 86 HD2 -1.89 0.05 -0.04 -0.04 3.22 1.29 3fp0A1 ARG 86 HD3 -0.77 -0.06 -0.02 -0.04 3.22 2.34 3fp0A1 PHE 87 H 0.45 0.49 -0.20 -0.55 8.34 8.52 3fp0A1 PHE 87 HA 0.09 -0.08 0.36 -0.75 4.62 4.24 3fp0A1 PHE 87 HB2 -0.23 -0.02 0.07 -0.04 3.15 2.94 3fp0A1 PHE 87 HB3 -0.09 0.15 0.07 -0.04 3.06 3.14 3fp0A1 PHE 87 HD2 -0.47 0.01 -0.19 -0.04 7.28 6.60 3fp0A1 PHE 87 HE2 -0.21 0.02 -0.15 -0.04 7.38 7.00 3fp0A1 PHE 87 HZ -0.14 0.01 -0.13 -0.04 7.32 7.02 3fp0A1 GLU 88 H 0.11 0.42 -0.21 -0.55 8.60 8.37 3fp0A1 GLU 88 HA -0.20 0.01 0.44 -0.75 4.29 3.78 3fp0A1 GLU 88 HB2 -0.15 0.05 0.07 -0.04 2.09 2.03 3fp0A1 GLU 88 HB3 -0.59 -0.04 -0.02 -0.04 1.99 1.29 3fp0A1 GLU 88 HG2 0.01 -0.06 -0.01 -0.04 2.34 2.24 3fp0A1 GLU 88 HG3 0.05 0.22 0.00 -0.04 2.34 2.57 3fp0A1 HIS 89 H -0.00 0.60 -0.29 -0.55 8.41 8.17 3fp0A1 HIS 89 HA -0.22 0.21 0.76 -0.75 4.63 4.62 3fp0A1 HIS 89 HB2 0.23 0.03 0.12 -0.04 3.26 3.60 3fp0A1 HIS 89 HB3 -0.28 -0.13 0.07 -0.04 3.20 2.81 3fp0A1 HIS 89 HD2 -0.09 -0.05 -0.09 -0.04 6.97 6.70 3fp0A1 HIS 89 HE1 -0.00 0.02 -0.02 -0.04 7.75 7.70 3fp0A1 PRO 90 HA -0.20 0.07 0.38 -0.51 4.44 4.18 3fp0A1 PRO 90 HB2 -1.38 -0.05 -0.09 -0.04 2.28 0.72 3fp0A1 PRO 90 HB3 -0.84 -0.01 -0.02 -0.04 2.02 1.10 3fp0A1 PRO 90 HG2 -0.65 -0.04 -0.09 -0.04 2.03 1.21 3fp0A1 PRO 90 HG3 -0.53 0.14 -0.12 -0.04 2.03 1.48 3fp0A1 PRO 90 HD2 -0.29 0.10 -0.20 -0.04 3.68 3.25 3fp0A1 PRO 90 HD3 -0.31 0.33 -0.42 -0.04 3.65 3.21 3fp0A1 GLU 91 H -0.29 0.12 -0.44 -0.55 8.60 7.44 3fp0A1 GLU 91 HA -0.38 0.03 0.47 -0.75 4.29 3.66 3fp0A1 GLU 91 HB2 -0.66 0.02 -0.05 -0.04 2.09 1.35 3fp0A1 GLU 91 HB3 -1.30 0.13 -0.05 -0.04 1.99 0.73 3fp0A1 GLU 91 HG2 -0.35 0.07 -0.06 -0.04 2.34 1.96 3fp0A1 GLU 91 HG3 -0.24 0.00 0.05 -0.04 2.34 2.11 3fp0A1 CYS 92 H -0.22 0.41 -0.32 -0.55 8.50 7.82 3fp0A1 CYS 92 HA 0.08 0.06 0.27 -0.75 4.58 4.23 3fp0A1 CYS 92 HB2 0.22 -0.02 0.03 -0.04 2.97 3.15 3fp0A1 CYS 92 HB3 -0.58 -0.01 -0.01 -0.04 2.97 2.33 3fp0A1 ALA 93 H -0.16 0.53 -0.39 -0.55 8.40 7.83 3fp0A1 ALA 93 HA 0.01 0.18 0.86 -0.75 4.34 4.63 3fp0A1 ALA 93 HB3 -0.70 -0.02 0.05 -0.04 1.41 0.70 3fp0A1 CYS 94 H -0.37 0.28 -0.03 -0.55 8.50 7.83 3fp0A1 CYS 94 HA -0.13 0.14 0.81 -0.75 4.58 4.65 3fp0A1 CYS 94 HB2 -0.68 0.03 0.14 -0.04 2.97 2.42 3fp0A1 CYS 94 HB3 -0.10 0.00 0.08 -0.04 2.97 2.91 3fp0A1 THR 95 H -0.11 0.56 0.43 -0.55 8.28 8.61 3fp0A1 THR 95 HA -0.10 0.18 0.89 -0.75 4.39 4.60 3fp0A1 THR 95 HB -0.02 0.00 0.11 -0.04 4.32 4.37 3fp0A1 THR 95 HG23 -0.10 0.03 -0.13 -0.04 1.22 0.99 3fp0A1 VAL 96 H 0.07 0.22 0.19 -0.55 8.24 8.16 3fp0A1 VAL 96 HA -0.15 0.39 1.13 -0.75 4.13 4.75 3fp0A1 VAL 96 HB -0.07 -0.05 -0.12 -0.04 2.12 1.85 3fp0A1 VAL 96 HG13 0.00 -0.00 0.01 -0.04 0.97 0.94 3fp0A1 VAL 96 HG23 -1.05 0.00 -0.04 -0.04 0.95 -0.18 3fp0A1 SER 97 H -0.47 0.58 0.42 -0.55 8.46 8.45 3fp0A1 SER 97 HA -0.19 0.15 0.58 -0.75 4.49 4.27 3fp0A1 SER 97 HB2 -0.01 0.01 0.12 -0.04 3.95 4.04 3fp0A1 SER 97 HB3 -0.06 0.05 -0.02 -0.04 3.93 3.86 3fp0A1 TRP 98 H 0.28 0.27 0.22 -0.55 7.97 8.20 3fp0A1 TRP 98 HA 0.00 0.11 0.83 -0.75 4.62 4.81 3fp0A1 TRP 98 HB2 0.01 -0.05 0.08 -0.04 3.23 3.23 3fp0A1 TRP 98 HB3 -0.00 0.24 0.05 -0.04 3.23 3.48 3fp0A1 TRP 98 HD1 -0.01 0.15 -0.11 -0.04 7.22 7.21 3fp0A1 TRP 98 HE1 -0.01 0.46 0.11 -0.04 10.20 10.72 3fp0A1 TRP 98 HE3 0.02 -0.04 -0.04 -0.04 7.59 7.49 3fp0A1 TRP 98 HZ2 0.00 0.09 -0.06 -0.04 7.44 7.44 3fp0A1 TRP 98 HZ3 0.04 0.05 -0.05 -0.04 7.13 7.13 3fp0A1 TRP 98 HH2 0.04 -0.00 -0.09 -0.04 7.19 7.09 3fp0A1 ASP 99 H 0.15 0.16 0.03 -0.55 8.40 8.19 3fp0A1 ASP 99 HA 0.10 0.21 0.74 -0.75 4.63 4.92 3fp0A1 ASP 99 HB2 0.05 -0.09 0.22 -0.04 2.71 2.85 3fp0A1 ASP 99 HB3 0.05 0.06 0.08 -0.04 2.70 2.84 3fp0A1 ASP 100 H 0.04 0.08 0.13 -0.55 8.40 8.11 3fp0A1 ASP 100 HA 0.04 0.26 0.78 -0.75 4.63 4.96 3fp0A1 ASP 100 HB2 0.02 -0.04 0.09 -0.04 2.71 2.74 3fp0A1 ASP 100 HB3 0.02 0.03 0.12 -0.04 2.70 2.82 3fp0A1 GLU 101 H 0.04 -0.07 -0.14 -0.55 8.60 7.89 3fp0A1 GLU 101 HA -0.02 0.14 0.69 -0.75 4.29 4.34 3fp0A1 GLU 101 HB2 0.03 0.08 -0.00 -0.04 2.09 2.15 3fp0A1 GLU 101 HB3 0.01 -0.01 0.11 -0.04 1.99 2.05 3fp0A1 GLU 101 HG2 0.01 0.04 -0.03 -0.04 2.34 2.32 3fp0A1 GLU 101 HG3 0.02 -0.14 0.02 -0.04 2.34 2.20 3fp0A1 VAL 102 H -0.06 0.07 0.12 -0.55 8.24 7.81 3fp0A1 VAL 102 HA -0.17 0.08 0.40 -0.75 4.13 3.69 3fp0A1 VAL 102 HB -0.07 -0.03 0.11 -0.04 2.12 2.09 3fp0A1 VAL 102 HG13 -0.02 -0.01 -0.28 -0.04 0.97 0.61 3fp0A1 VAL 102 HG23 -0.49 0.01 0.02 -0.04 0.95 0.44 3fp0A1 PRO 103 HA 0.07 0.05 0.52 -0.51 4.44 4.57 3fp0A1 PRO 103 HB2 0.04 0.07 -0.03 -0.04 2.28 2.32 3fp0A1 PRO 103 HB3 0.03 0.00 -0.02 -0.04 2.02 2.00 3fp0A1 PRO 103 HG2 0.07 0.04 0.03 -0.04 2.03 2.13 3fp0A1 PRO 103 HG3 0.05 0.01 0.02 -0.04 2.03 2.06 3fp0A1 PRO 103 HD2 0.03 0.05 -0.01 -0.04 3.68 3.71 3fp0A1 PRO 103 HD3 0.01 -0.03 0.14 -0.04 3.65 3.73 3fp0A1 ALA 104 H 0.07 0.06 0.10 -0.55 8.40 8.08 3fp0A1 ALA 104 HA -0.38 0.12 0.50 -0.75 4.34 3.83 3fp0A1 ALA 104 HB3 -0.23 0.03 0.05 -0.04 1.41 1.22 3fp0A1 ILE 105 H -0.46 0.78 0.42 -0.55 8.25 8.44 3fp0A1 ILE 105 HA -0.11 0.18 1.06 -0.75 4.18 4.56 3fp0A1 ILE 105 HB -0.15 -0.06 0.02 -0.04 1.89 1.66 3fp0A1 ILE 105 HG12 -0.04 -0.01 -0.12 -0.04 1.49 1.28 3fp0A1 ILE 105 HG13 -0.07 0.08 -0.25 -0.04 1.21 0.92 3fp0A1 ILE 105 HG23 -0.04 -0.01 -0.28 -0.04 0.93 0.56 3fp0A1 ILE 105 HD13 -0.02 -0.04 -0.19 -0.04 0.88 0.59 3fp0A1 ILE 106 H -0.08 0.75 0.33 -0.55 8.25 8.71 3fp0A1 ILE 106 HA 0.05 0.30 0.98 -0.75 4.18 4.76 3fp0A1 ILE 106 HB -0.07 -0.00 0.09 -0.04 1.89 1.86 3fp0A1 ILE 106 HG12 -0.01 0.05 -0.15 -0.04 1.49 1.34 3fp0A1 ILE 106 HG13 -0.11 -0.06 -0.25 -0.04 1.21 0.74 3fp0A1 ILE 106 HG23 0.28 -0.01 -0.19 -0.04 0.93 0.97 3fp0A1 ILE 106 HD13 -0.09 -0.01 -0.10 -0.04 0.88 0.64 3fp0A1 THR 107 H 0.08 0.67 0.36 -0.55 8.28 8.85 3fp0A1 THR 107 HA 0.17 0.25 1.11 -0.75 4.39 5.17 3fp0A1 THR 107 HB -0.03 -0.02 0.02 -0.04 4.32 4.26 3fp0A1 THR 107 HG23 -0.05 -0.00 -0.17 -0.04 1.22 0.95 3fp0A1 TYR 108 H 0.11 0.61 0.30 -0.55 8.29 8.76 3fp0A1 TYR 108 HA -0.19 0.18 0.64 -0.75 4.56 4.44 3fp0A1 TYR 108 HB2 -0.26 0.02 -0.02 -0.04 3.06 2.75 3fp0A1 TYR 108 HB3 -0.41 -0.04 0.06 -0.04 2.98 2.55 3fp0A1 TYR 108 HD2 -0.31 0.01 -0.21 -0.04 7.15 6.60 3fp0A1 TYR 108 HE2 -0.31 -0.08 -0.13 -0.04 6.85 6.29 3fp0A1 GLU 109 H -0.85 0.30 0.04 -0.55 8.60 7.55 3fp0A1 GLU 109 HA -0.41 0.27 0.94 -0.75 4.29 4.34 3fp0A1 GLU 109 HB2 -0.27 -0.04 -0.03 -0.04 2.09 1.71 3fp0A1 GLU 109 HB3 -0.39 -0.00 0.04 -0.04 1.99 1.60 3fp0A1 GLU 109 HG2 -0.26 0.28 -0.21 -0.04 2.34 2.10 3fp0A1 GLU 109 HG3 -0.19 -0.09 -0.14 -0.04 2.34 1.88 3fp0A1 SER 110 H -0.31 0.59 0.17 -0.55 8.46 8.37 3fp0A1 SER 110 HA -0.23 0.05 0.51 -0.75 4.49 4.07 3fp0A1 SER 110 HB2 -0.04 0.13 0.20 -0.04 3.95 4.20 3fp0A1 SER 110 HB3 -0.05 -0.00 -0.04 -0.04 3.93 3.79 3fp0A1 PRO 111 HA -0.38 0.06 0.36 -0.51 4.44 3.97 3fp0A1 PRO 111 HB2 -0.87 -0.02 -0.02 -0.04 2.28 1.33 3fp0A1 PRO 111 HB3 -0.60 -0.04 0.05 -0.04 2.02 1.39 3fp0A1 PRO 111 HG2 -2.52 0.01 0.07 -0.04 2.03 -0.45 3fp0A1 PRO 111 HG3 -1.03 0.15 0.07 -0.04 2.03 1.19 3fp0A1 PRO 111 HD2 -0.39 -0.06 0.14 -0.04 3.68 3.33 3fp0A1 PRO 111 HD3 -0.51 0.19 0.20 -0.04 3.65 3.49 3fp0A1 GLU 112 H -0.18 0.12 0.16 -0.55 8.60 8.15 3fp0A1 GLU 112 HA -0.06 0.12 0.40 -0.75 4.29 4.00 3fp0A1 GLU 112 HB2 -0.08 0.07 0.10 -0.04 2.09 2.13 3fp0A1 GLU 112 HB3 -0.09 -0.05 0.16 -0.04 1.99 1.97 3fp0A1 GLU 112 HG2 -0.03 -0.05 -0.23 -0.04 2.34 1.99 3fp0A1 GLU 112 HG3 -0.03 0.02 0.03 -0.04 2.34 2.31 3fp0A1 SER 113 H -0.10 0.10 -0.12 -0.55 8.46 7.80 3fp0A1 SER 113 HA 0.07 0.24 0.48 -0.75 4.49 4.53 3fp0A1 SER 113 HB2 0.04 -0.04 0.15 -0.04 3.95 4.07 3fp0A1 SER 113 HB3 0.01 0.24 -0.11 -0.04 3.93 4.03 3fp0A1 ASN 114 H 0.15 0.25 0.15 -0.55 8.53 8.54 3fp0A1 ASN 114 HA 0.37 0.13 0.60 -0.75 4.76 5.10 3fp0A1 ASN 114 HB2 0.13 -0.00 0.17 -0.04 2.88 3.14 3fp0A1 ASN 114 HB3 0.18 0.05 0.06 -0.04 2.79 3.05 3fp0A1 ASN 114 HD21 0.12 0.22 0.11 -0.04 7.03 7.44 3fp0A1 ASN 114 HD22 0.17 -0.08 0.12 -0.04 7.74 7.91 3fp0A1 GLU 115 H 0.07 0.11 -0.08 -0.55 8.60 8.15 3fp0A1 GLU 115 HA 0.06 0.13 0.50 -0.75 4.29 4.22 3fp0A1 GLU 115 HB2 0.03 0.04 0.09 -0.04 2.09 2.22 3fp0A1 GLU 115 HB3 0.02 -0.04 0.03 -0.04 1.99 1.97 3fp0A1 GLU 115 HG2 0.02 0.01 -0.25 -0.04 2.34 2.08 3fp0A1 GLU 115 HG3 0.03 0.02 0.02 -0.04 2.34 2.37 3fp0A1 SER 116 H -0.00 0.05 -0.23 -0.55 8.46 7.73 3fp0A1 SER 116 HA -0.01 0.10 0.45 -0.75 4.49 4.29 3fp0A1 SER 116 HB2 -0.05 0.02 0.09 -0.04 3.95 3.97 3fp0A1 SER 116 HB3 -0.11 0.00 0.15 -0.04 3.93 3.93 3fp0A1 ALA 117 H -0.10 0.42 -0.18 -0.55 8.40 7.99 3fp0A1 ALA 117 HA -0.17 0.09 0.50 -0.75 4.34 4.00 3fp0A1 ALA 117 HB3 -0.36 0.04 0.13 -0.04 1.41 1.19 3fp0A1 ARG 118 H 0.08 0.32 -0.27 -0.55 8.46 8.04 3fp0A1 ARG 118 HA 0.13 0.05 0.41 -0.75 4.34 4.18 3fp0A1 ARG 118 HB2 0.07 0.07 0.19 -0.04 1.90 2.18 3fp0A1 ARG 118 HB3 0.05 -0.03 0.05 -0.04 1.80 1.82 3fp0A1 ARG 118 HG2 0.11 -0.01 0.00 -0.04 1.67 1.73 3fp0A1 ARG 118 HG3 0.15 0.13 0.06 -0.04 1.67 1.96 3fp0A1 ARG 118 HD2 0.05 -0.02 -0.01 -0.04 3.22 3.20 3fp0A1 ARG 118 HD3 0.07 0.00 -0.02 -0.04 3.22 3.23 3fp0A1 ASP 119 H 0.05 0.43 -0.09 -0.55 8.40 8.26 3fp0A1 ASP 119 HA 0.01 0.01 0.46 -0.75 4.63 4.37 3fp0A1 ASP 119 HB2 0.04 0.12 0.17 -0.04 2.71 3.00 3fp0A1 ASP 119 HB3 0.03 0.00 -0.00 -0.04 2.70 2.69 3fp0A1 TRP 120 H 0.20 0.48 -0.20 -0.55 7.97 7.90 3fp0A1 TRP 120 HA -0.06 0.04 0.48 -0.75 4.62 4.33 3fp0A1 TRP 120 HB2 -0.13 -0.03 0.12 -0.04 3.23 3.15 3fp0A1 TRP 120 HB3 -0.13 0.11 0.22 -0.04 3.23 3.39 3fp0A1 TRP 120 HD1 -0.08 -0.03 0.04 -0.04 7.22 7.10 3fp0A1 TRP 120 HE1 -0.06 0.05 0.06 -0.04 10.20 10.20 3fp0A1 TRP 120 HE3 -0.05 0.07 0.02 -0.04 7.59 7.60 3fp0A1 TRP 120 HZ2 0.02 0.28 -0.10 -0.04 7.44 7.59 3fp0A1 TRP 120 HZ3 0.12 -0.02 -0.21 -0.04 7.13 6.98 3fp0A1 TRP 120 HH2 0.16 0.00 -0.12 -0.04 7.19 7.19 3fp0A1 ALA 121 H 0.18 0.50 -0.05 -0.55 8.40 8.49 3fp0A1 ALA 121 HA -1.04 0.07 0.34 -0.75 4.34 2.95 3fp0A1 ALA 121 HB3 0.05 -0.01 0.11 -0.04 1.41 1.53 3fp0A1 ARG 122 H -0.09 0.62 -0.06 -0.55 8.46 8.37 3fp0A1 ARG 122 HA -0.14 -0.05 0.42 -0.75 4.34 3.82 3fp0A1 ARG 122 HB2 -0.04 0.02 0.16 -0.04 1.90 2.00 3fp0A1 ARG 122 HB3 -0.06 0.15 0.16 -0.04 1.80 2.01 3fp0A1 ARG 122 HG2 -0.06 0.04 -0.08 -0.04 1.67 1.52 3fp0A1 ARG 122 HG3 -0.05 -0.07 0.06 -0.04 1.67 1.57 3fp0A1 ARG 122 HD2 -0.01 0.01 0.00 -0.04 3.22 3.18 3fp0A1 ARG 122 HD3 -0.01 -0.06 -0.00 -0.04 3.22 3.10 3fp0A1 GLY 123 H -0.22 0.40 -0.47 -0.55 8.43 7.60 3fp0A1 GLY 123 HA2 -0.11 -0.02 0.33 -0.51 4.01 3.71 3fp0A1 GLY 123 HA3 -0.13 0.02 0.33 -0.51 4.01 3.72 3fp0A1 CYS 124 H -0.47 0.46 -0.32 -0.55 8.50 7.62 3fp0A1 CYS 124 HA -0.30 0.11 0.86 -0.75 4.58 4.49 3fp0A1 CYS 124 HB2 -0.65 0.08 0.15 -0.04 2.97 2.51 3fp0A1 CYS 124 HB3 -0.36 -0.09 0.21 -0.04 2.97 2.70 3fp0A1 ILE 125 H -0.52 0.43 -0.09 -0.55 8.25 7.53 3fp0A1 ILE 125 HA -0.43 0.14 1.03 -0.75 4.18 4.16 3fp0A1 ILE 125 HB -0.21 0.01 0.12 -0.04 1.89 1.76 3fp0A1 ILE 125 HG12 -0.27 0.16 -0.15 -0.04 1.49 1.19 3fp0A1 ILE 125 HG13 -0.10 -0.09 -0.20 -0.04 1.21 0.78 3fp0A1 ILE 125 HG23 -0.12 -0.03 -0.09 -0.04 0.93 0.65 3fp0A1 ILE 125 HD13 -0.08 0.00 -0.19 -0.04 0.88 0.57 3fp0A1 HIS 126 H -0.37 0.74 0.38 -0.55 8.41 8.62 3fp0A1 HIS 126 HA -0.07 0.15 0.98 -0.75 4.63 4.94 3fp0A1 HIS 126 HB2 -0.04 -0.07 0.07 -0.04 3.26 3.19 3fp0A1 HIS 126 HB3 0.05 -0.01 0.10 -0.04 3.20 3.29 3fp0A1 HIS 126 HD2 -1.15 0.03 -0.16 -0.04 6.97 5.64 3fp0A1 HIS 126 HE1 -0.08 0.06 -0.02 -0.04 7.75 7.67 3fp0A1 VAL 127 H 0.09 0.22 0.23 -0.55 8.24 8.22 3fp0A1 VAL 127 HA 0.06 0.31 1.08 -0.75 4.13 4.83 3fp0A1 VAL 127 HB 0.03 -0.05 0.07 -0.04 2.12 2.13 3fp0A1 VAL 127 HG13 0.01 0.03 -0.16 -0.04 0.97 0.80 3fp0A1 VAL 127 HG23 0.03 -0.02 -0.14 -0.04 0.95 0.77 3fp0A1 GLN 128 H 0.05 0.52 0.28 -0.55 8.47 8.76 3fp0A1 GLN 128 HA 0.04 0.13 0.63 -0.75 4.36 4.40 3fp0A1 GLN 128 HB2 0.06 0.07 -0.33 -0.04 2.15 1.92 3fp0A1 GLN 128 HB3 0.04 -0.06 -0.02 -0.04 2.02 1.93 3fp0A1 GLN 128 HG2 0.01 -0.00 -0.28 -0.04 2.40 2.09 3fp0A1 GLN 128 HG3 0.02 0.05 0.00 -0.04 2.39 2.42 3fp0A1 PRO 129 HA 0.02 0.22 0.93 -0.51 4.44 5.10 3fp0A1 PRO 129 HB2 0.01 0.21 -0.00 -0.04 2.28 2.46 3fp0A1 PRO 129 HB3 0.01 -0.07 -0.25 -0.04 2.02 1.67 3fp0A1 PRO 129 HG2 0.01 0.12 0.10 -0.04 2.03 2.22 3fp0A1 PRO 129 HG3 0.02 -0.21 -0.16 -0.04 2.03 1.63 3fp0A1 PRO 129 HD2 0.02 0.15 0.21 -0.04 3.68 4.01 3fp0A1 PRO 129 HD3 0.02 0.07 0.05 -0.04 3.65 3.75 3fp0A1 THR 130 H 0.01 0.57 0.23 -0.55 8.28 8.54 3fp0A1 THR 130 HA 0.00 0.10 0.61 -0.75 4.39 4.35 3fp0A1 THR 130 HB 0.00 0.17 -0.24 -0.04 4.32 4.21 3fp0A1 THR 130 HG23 0.01 0.07 -0.21 -0.04 1.22 1.04 3fp0A1 ALA 131 H 0.00 0.17 0.10 -0.55 8.40 8.12 3fp0A1 ALA 131 HA 0.01 0.16 0.80 -0.75 4.34 4.55 3fp0A1 ALA 131 HB3 0.00 0.01 0.08 -0.04 1.41 1.46 3fp0A1 LYS 132 H -0.00 0.02 -0.19 -0.55 8.42 7.69 3fp0A1 LYS 132 HA -0.00 0.01 0.48 -0.75 4.32 4.05 3fp0A1 LYS 132 HB2 -0.02 -0.05 -0.02 -0.04 1.87 1.74 3fp0A1 LYS 132 HB3 -0.02 0.01 0.02 -0.04 1.79 1.76 3fp0A1 LYS 132 HG2 -0.01 -0.04 -0.13 -0.04 1.46 1.24 3fp0A1 LYS 132 HG3 -0.02 0.09 -0.31 -0.04 1.46 1.18 3fp0A1 LYS 132 HD2 -0.06 0.02 -0.13 -0.04 1.69 1.48 3fp0A1 LYS 132 HD3 -0.05 0.01 -0.17 -0.04 1.68 1.42 3fp0A1 LYS 132 HE2 -0.03 -0.04 -0.05 -0.04 2.99 2.83 3fp0A1 LYS 132 HE3 -0.02 -0.00 -0.10 -0.04 2.99 2.83 3fp0A1 SER 133 H 0.01 0.04 0.14 -0.55 8.46 8.10 3fp0A1 SER 133 HA 0.01 0.22 0.57 -0.75 4.49 4.55 3fp0A1 SER 133 HB2 0.02 -0.00 0.12 -0.04 3.95 4.05 3fp0A1 SER 133 HB3 0.02 0.15 0.11 -0.04 3.93 4.17 3fp0A1 ALA 134 H 0.02 0.19 0.05 -0.55 8.40 8.11 3fp0A1 ALA 134 HA 0.02 0.16 0.34 -0.75 4.34 4.10 3fp0A1 ALA 134 HB3 0.03 0.03 -0.04 -0.04 1.41 1.39 3fp0A1 LEU 135 H 0.04 0.06 -0.22 -0.55 8.37 7.70 3fp0A1 LEU 135 HA 0.15 0.16 0.38 -0.75 4.35 4.28 3fp0A1 LEU 135 HB2 0.07 -0.03 -0.01 -0.04 1.64 1.63 3fp0A1 LEU 135 HB3 0.18 0.08 -0.03 -0.04 1.64 1.82 3fp0A1 LEU 135 HG -0.00 -0.08 -0.08 -0.04 1.64 1.44 3fp0A1 LEU 135 HD13 -0.02 0.02 -0.10 -0.04 0.93 0.79 3fp0A1 LEU 135 HD23 -0.18 0.04 -0.15 -0.04 0.89 0.56 3fp0A1 ASP 136 H 0.03 -0.01 -0.30 -0.55 8.40 7.58 3fp0A1 ASP 136 HA -0.01 0.10 0.56 -0.75 4.63 4.53 3fp0A1 ASP 136 HB2 -0.01 0.11 0.05 -0.04 2.71 2.81 3fp0A1 ASP 136 HB3 -0.03 0.07 -0.06 -0.04 2.70 2.64 3fp0A1 LEU 137 H -0.01 0.42 -0.37 -0.55 8.37 7.86 3fp0A1 LEU 137 HA -0.11 0.04 0.40 -0.75 4.35 3.93 3fp0A1 LEU 137 HB2 -0.08 -0.00 -0.04 -0.04 1.64 1.47 3fp0A1 LEU 137 HB3 -0.07 0.16 0.07 -0.04 1.64 1.75 3fp0A1 LEU 137 HG -0.36 0.03 -0.26 -0.04 1.64 1.01 3fp0A1 LEU 137 HD13 -0.22 -0.01 -0.04 -0.04 0.93 0.62 3fp0A1 LEU 137 HD23 -0.39 0.01 -0.13 -0.04 0.89 0.34 3fp0A1 TRP 138 H 0.08 0.43 -0.11 -0.55 7.97 7.83 3fp0A1 TRP 138 HA -0.43 0.07 0.37 -0.75 4.62 3.87 3fp0A1 TRP 138 HB2 -0.38 0.01 0.02 -0.04 3.23 2.84 3fp0A1 TRP 138 HB3 -0.25 0.05 0.11 -0.04 3.23 3.10 3fp0A1 TRP 138 HD1 -2.27 0.02 -0.07 -0.04 7.22 4.86 3fp0A1 TRP 138 HE1 -0.49 0.05 -0.19 -0.04 10.20 9.52 3fp0A1 TRP 138 HE3 -0.16 0.02 -0.04 -0.04 7.59 7.37 3fp0A1 TRP 138 HZ2 -0.13 -0.00 -0.29 -0.04 7.44 6.99 3fp0A1 TRP 138 HZ3 -0.09 -0.07 -0.05 -0.04 7.13 6.88 3fp0A1 TRP 138 HH2 -0.12 -0.12 -0.46 -0.04 7.19 6.44 3fp0A1 SER 139 H -0.13 0.42 -0.30 -0.55 8.46 7.90 3fp0A1 SER 139 HA -0.89 0.06 0.31 -0.75 4.49 3.22 3fp0A1 SER 139 HB2 -0.18 0.11 0.14 -0.04 3.95 3.98 3fp0A1 SER 139 HB3 -0.27 -0.03 0.01 -0.04 3.93 3.59 3fp0A1 GLU 140 H -0.20 0.44 -0.23 -0.55 8.60 8.07 3fp0A1 GLU 140 HA -0.16 -0.01 0.43 -0.75 4.29 3.80 3fp0A1 GLU 140 HB2 -0.12 -0.02 0.10 -0.04 2.09 2.01 3fp0A1 GLU 140 HB3 -0.15 0.16 0.17 -0.04 1.99 2.12 3fp0A1 GLU 140 HG2 -0.12 0.04 -0.22 -0.04 2.34 2.00 3fp0A1 GLU 140 HG3 -0.10 -0.04 0.01 -0.04 2.34 2.17 3fp0A1 MET 141 H -0.24 0.61 -0.17 -0.55 8.47 8.12 3fp0A1 MET 141 HA -0.14 0.01 0.36 -0.75 4.52 4.00 3fp0A1 MET 141 HB2 -0.19 0.09 0.12 -0.04 2.15 2.13 3fp0A1 MET 141 HB3 -0.09 -0.00 -0.02 -0.04 2.03 1.88 3fp0A1 MET 141 HG2 -0.20 -0.02 -0.05 -0.04 2.63 2.32 3fp0A1 MET 141 HG3 -0.25 0.04 -0.03 -0.04 2.56 2.28 3fp0A1 MET 141 HE3 0.08 0.01 -0.11 -0.04 2.10 2.04 3fp0A1 GLU 142 H -0.45 0.57 -0.09 -0.55 8.60 8.08 3fp0A1 GLU 142 HA -0.17 0.09 0.55 -0.75 4.29 4.00 3fp0A1 GLU 142 HB2 -0.73 0.03 0.12 -0.04 2.09 1.47 3fp0A1 GLU 142 HB3 -0.34 -0.02 0.08 -0.04 1.99 1.67 3fp0A1 GLU 142 HG2 -0.61 0.07 -0.01 -0.04 2.34 1.76 3fp0A1 GLU 142 HG3 -0.50 -0.06 -0.04 -0.04 2.34 1.70 3fp0A1 GLU 143 H -0.28 0.61 -0.08 -0.55 8.60 8.31 3fp0A1 GLU 143 HA -0.15 -0.00 0.56 -0.75 4.29 3.94 3fp0A1 GLU 143 HB2 -0.17 0.11 0.19 -0.04 2.09 2.18 3fp0A1 GLU 143 HB3 -0.12 -0.07 0.01 -0.04 1.99 1.78 3fp0A1 GLU 143 HG2 -0.14 -0.07 0.05 -0.04 2.34 2.15 3fp0A1 GLU 143 HG3 -0.23 -0.00 0.07 -0.04 2.34 2.14 3fp0A1 GLY 144 H -0.13 0.50 -0.23 -0.55 8.43 8.03 3fp0A1 GLY 144 HA2 -0.06 -0.03 0.40 -0.51 4.01 3.80 3fp0A1 GLY 144 HA3 -0.07 0.05 0.27 -0.51 4.01 3.75 3fp0A1 ARG 145 H -0.08 0.36 -0.27 -0.55 8.46 7.91 3fp0A1 ARG 145 HA -0.01 0.01 0.26 -0.75 4.34 3.84 3fp0A1 ARG 145 HB2 -0.02 0.06 0.12 -0.04 1.90 2.01 3fp0A1 ARG 145 HB3 -0.05 0.07 0.15 -0.04 1.80 1.94 3fp0A1 ARG 145 HG2 -0.00 -0.01 -0.29 -0.04 1.67 1.33 3fp0A1 ARG 145 HG3 0.02 0.02 -0.02 -0.04 1.67 1.66 3fp0A1 ARG 145 HD2 0.01 0.00 -0.03 -0.04 3.22 3.16 3fp0A1 ARG 145 HD3 0.05 0.04 -0.15 -0.04 3.22 3.12 3fp0A1 ALA 146 H -0.05 0.23 -0.11 -0.55 8.40 7.92 3fp0A1 ALA 146 HA -0.03 0.04 0.44 -0.75 4.34 4.04 3fp0A1 ALA 146 HB3 -0.05 0.01 0.08 -0.04 1.41 1.41 3fp0A1 ALA 147 H -0.04 0.22 -0.12 -0.55 8.40 7.92 3fp0A1 ALA 147 HA -0.02 0.01 0.20 -0.75 4.34 3.77 3fp0A1 ALA 147 HB3 -0.03 0.00 0.08 -0.04 1.41 1.42 3fp0A1 ALA 148 H -0.02 0.43 -0.42 -0.55 8.40 7.84 3fp0A1 ALA 148 HA -0.01 -0.05 0.29 -0.75 4.34 3.82 3fp0A1 ALA 148 HB3 -0.00 0.04 0.04 -0.04 1.41 1.45 3fp0A1 ASN 149 H -0.01 0.35 -0.52 -0.55 8.53 7.81 3fp0A1 ASN 149 HA -0.00 0.03 0.30 -0.75 4.76 4.33 3fp0A1 ASN 149 HB2 -0.01 -0.00 0.08 -0.04 2.88 2.91 3fp0A1 ASN 149 HB3 -0.00 0.05 0.02 -0.04 2.79 2.82 3fp0A1 ASN 149 HD21 -0.00 -0.07 -0.03 -0.04 7.03 6.88 3fp0A1 ASN 149 HD22 -0.00 0.06 -0.04 -0.04 7.74 7.71 3fp0A1 ASP 150 H 0.01 0.28 -0.19 -0.55 8.40 7.95 3fp0A1 ASP 150 HA 0.02 -0.03 -0.12 -0.75 4.63 3.74 3fp0A1 ASP 150 HB2 0.03 -0.09 0.10 -0.04 2.71 2.71 3fp0A1 ASP 150 HB3 0.02 0.24 0.26 -0.04 2.70 3.18 3fp0A1 ASN 151 H 0.02 0.13 -0.05 -0.55 8.53 8.08 3fp0A1 ASN 151 HA 0.03 0.40 0.59 -0.75 4.76 5.02 3fp0A1 ASN 151 HB2 -0.00 -0.06 0.09 -0.04 2.88 2.86 3fp0A1 ASN 151 HB3 -0.02 -0.02 0.13 -0.04 2.79 2.84 3fp0A1 ASN 151 HD21 -0.01 0.03 -0.15 -0.04 7.03 6.86 3fp0A1 ASN 151 HD22 -0.00 -0.16 -0.24 -0.04 7.74 7.30 3fp0A1 THR 152 H 0.06 0.20 -0.52 -0.55 8.28 7.48 3fp0A1 THR 152 HA 0.11 0.09 0.73 -0.75 4.39 4.58 3fp0A1 THR 152 HB 0.09 -0.00 0.01 -0.04 4.32 4.38 3fp0A1 THR 152 HG23 0.11 0.07 -0.03 -0.04 1.22 1.32 3fp0A1 PRO 153 HA 0.19 0.18 0.45 -0.51 4.44 4.76 3fp0A1 PRO 153 HB2 0.24 0.02 -0.09 -0.04 2.28 2.41 3fp0A1 PRO 153 HB3 0.34 -0.02 -0.04 -0.04 2.02 2.26 3fp0A1 PRO 153 HG2 0.46 0.01 0.03 -0.04 2.03 2.49 3fp0A1 PRO 153 HG3 0.52 0.04 -0.03 -0.04 2.03 2.52 3fp0A1 PRO 153 HD2 0.20 0.03 0.19 -0.04 3.68 4.06 3fp0A1 PRO 153 HD3 0.21 0.23 0.30 -0.04 3.65 4.35 3fp0A1 SER 154 H 0.18 0.09 0.12 -0.55 8.46 8.30 3fp0A1 SER 154 HA 0.15 0.08 0.42 -0.75 4.49 4.38 3fp0A1 SER 154 HB2 0.06 -0.09 -0.02 -0.04 3.95 3.86 3fp0A1 SER 154 HB3 -0.11 0.02 -0.05 -0.04 3.93 3.75 3fp0A1 LYS 155 H 0.09 0.08 0.07 -0.55 8.42 8.11 3fp0A1 LYS 155 HA 0.11 0.10 0.55 -0.75 4.32 4.32 3fp0A1 LYS 155 HB2 0.04 -0.02 -0.09 -0.04 1.87 1.75 3fp0A1 LYS 155 HB3 0.09 0.04 0.08 -0.04 1.79 1.95 3fp0A1 LYS 155 HG2 0.09 0.02 0.05 -0.04 1.46 1.57 3fp0A1 LYS 155 HG3 0.09 -0.03 0.07 -0.04 1.46 1.54 3fp0A1 LYS 155 HD2 0.05 -0.02 -0.01 -0.04 1.69 1.66 3fp0A1 LYS 155 HD3 0.01 0.07 0.01 -0.04 1.68 1.73 3fp0A1 LYS 155 HE2 0.06 -0.04 0.00 -0.04 2.99 2.97 3fp0A1 LYS 155 HE3 0.07 -0.03 0.01 -0.04 2.99 2.99 3fp0A1 SER 156 H -0.02 0.25 0.15 -0.55 8.46 8.30 3fp0A1 SER 156 HA 0.47 -0.05 0.53 -0.75 4.49 4.68 3fp0A1 SER 156 HB2 -0.93 0.12 0.13 -0.04 3.95 3.23 3fp0A1 SER 156 HB3 -0.09 0.17 0.01 -0.04 3.93 3.97 3fp0A1 ILE 157 H 0.14 0.21 -0.06 -0.55 8.25 8.00 3fp0A1 ILE 157 HA 0.05 0.32 0.59 -0.75 4.18 4.39 3fp0A1 ILE 157 HB 0.20 0.04 -0.20 -0.04 1.89 1.89 3fp0A1 ILE 157 HG12 0.14 0.00 -0.17 -0.04 1.49 1.43 3fp0A1 ILE 157 HG13 0.03 0.03 -0.01 -0.04 1.21 1.22 3fp0A1 ILE 157 HG23 0.22 0.01 -0.08 -0.04 0.93 1.04 3fp0A1 ILE 157 HD13 0.04 -0.04 -0.12 -0.04 0.88 0.72 3fp0A1 GLU 158 H 0.00 0.54 0.36 -0.55 8.60 8.95 3fp0A1 GLU 158 HA -0.14 0.24 0.74 -0.75 4.29 4.37 3fp0A1 GLU 158 HB2 -0.17 0.07 0.15 -0.04 2.09 2.10 3fp0A1 GLU 158 HB3 -0.02 0.01 0.03 -0.04 1.99 1.96 3fp0A1 GLU 158 HG2 0.09 0.07 0.03 -0.04 2.34 2.49 3fp0A1 GLU 158 HG3 0.08 -0.06 -0.20 -0.04 2.34 2.12 3fp0A1 LEU 159 H -0.36 0.89 0.46 -0.55 8.37 8.82 3fp0A1 LEU 159 HA -0.26 0.22 1.02 -0.75 4.35 4.57 3fp0A1 LEU 159 HB2 -0.28 0.07 0.16 -0.04 1.64 1.54 3fp0A1 LEU 159 HB3 -0.41 -0.06 -0.09 -0.04 1.64 1.03 3fp0A1 LEU 159 HG -0.64 -0.02 -0.06 -0.04 1.64 0.88 3fp0A1 LEU 159 HD13 0.14 0.01 -0.26 -0.04 0.93 0.78 3fp0A1 LEU 159 HD23 -0.36 -0.02 -0.10 -0.04 0.89 0.37 3fp0A1 PHE 160 H -0.03 0.54 0.31 -0.55 8.34 8.61 3fp0A1 PHE 160 HA -0.00 0.28 0.97 -0.75 4.62 5.11 3fp0A1 PHE 160 HB2 -0.02 -0.14 0.14 -0.04 3.15 3.09 3fp0A1 PHE 160 HB3 0.00 -0.00 -0.08 -0.04 3.06 2.94 3fp0A1 PHE 160 HD2 0.05 0.05 -0.12 -0.04 7.28 7.22 3fp0A1 PHE 160 HE2 -0.03 0.01 -0.15 -0.04 7.38 7.18 3fp0A1 PHE 160 HZ 0.04 0.04 -0.12 -0.04 7.32 7.24 3fp0A1 LEU 161 H 0.02 0.86 0.38 -0.55 8.37 9.09 3fp0A1 LEU 161 HA -0.07 0.26 0.99 -0.75 4.35 4.78 3fp0A1 LEU 161 HB2 -0.02 -0.09 0.16 -0.04 1.64 1.64 3fp0A1 LEU 161 HB3 -0.05 -0.02 0.02 -0.04 1.64 1.55 3fp0A1 LEU 161 HG -0.17 0.14 -0.08 -0.04 1.64 1.50 3fp0A1 LEU 161 HD13 -0.01 -0.01 -0.20 -0.04 0.93 0.66 3fp0A1 LEU 161 HD23 -0.48 -0.00 -0.22 -0.04 0.89 0.15 3fp0A1 LEU 162 H 0.00 0.73 0.38 -0.55 8.37 8.94 3fp0A1 LEU 162 HA 0.03 0.34 1.06 -0.75 4.35 5.03 3fp0A1 LEU 162 HB2 0.01 -0.12 -0.00 -0.04 1.64 1.49 3fp0A1 LEU 162 HB3 0.01 0.07 -0.01 -0.04 1.64 1.68 3fp0A1 LEU 162 HG 0.04 0.04 -0.37 -0.04 1.64 1.31 3fp0A1 LEU 162 HD13 0.00 -0.05 -0.36 -0.04 0.93 0.48 3fp0A1 LEU 162 HD23 0.05 0.04 -0.32 -0.04 0.89 0.61 3fp0A1 SER 163 H 0.02 0.46 0.43 -0.55 8.46 8.82 3fp0A1 SER 163 HA 0.02 0.14 0.72 -0.75 4.49 4.61 3fp0A1 SER 163 HB2 0.02 0.00 -0.08 -0.04 3.95 3.85 3fp0A1 SER 163 HB3 0.02 -0.10 0.11 -0.04 3.93 3.92 3fp0A1 ASP 164 H 0.01 0.19 0.18 -0.55 8.40 8.23 3fp0A1 ASP 164 HA 0.01 0.08 0.33 -0.75 4.63 4.29 3fp0A1 ASP 164 HB2 0.01 0.03 0.16 -0.04 2.71 2.87 3fp0A1 ASP 164 HB3 0.01 -0.01 0.26 -0.04 2.70 2.92 3fp0A1 VAL 165 H 0.01 0.46 0.13 -0.55 8.24 8.30 3fp0A1 VAL 165 HA 0.01 0.18 0.76 -0.75 4.13 4.33 3fp0A1 VAL 165 HB 0.01 -0.13 0.10 -0.04 2.12 2.06 3fp0A1 VAL 165 HG13 0.01 0.02 -0.23 -0.04 0.97 0.73 3fp0A1 VAL 165 HG23 0.02 0.03 -0.12 -0.04 0.95 0.83 3fp0A1 SER 166 H 0.01 0.12 0.16 -0.55 8.46 8.20 3fp0A1 SER 166 HA 0.01 0.15 0.44 -0.75 4.49 4.34 3fp0A1 THR 167 H 0.01 0.10 0.11 -0.55 8.28 7.96 3fp0A1 THR 167 HA 0.01 0.32 0.92 -0.75 4.39 4.90 3fp0A1 THR 167 HB 0.01 0.03 0.12 -0.04 4.32 4.45 3fp0A1 THR 167 HG23 0.01 0.04 -0.18 -0.04 1.22 1.05 3fp0A1 ASP 168 H 0.01 0.26 0.15 -0.55 8.40 8.28 3fp0A1 ASP 168 HA 0.02 0.11 0.57 -0.75 4.63 4.58 3fp0A1 ASP 168 HB2 0.02 -0.07 0.11 -0.04 2.71 2.73 3fp0A1 ASP 168 HB3 0.02 0.12 0.08 -0.04 2.70 2.87 3fp0A1 SER 169 H 0.01 0.07 -0.36 -0.55 8.46 7.63 3fp0A1 SER 169 HA 0.02 0.12 0.88 -0.75 4.49 4.75 3fp0A1 SER 169 HB2 0.01 0.05 0.11 -0.04 3.95 4.08 3fp0A1 SER 169 HB3 0.01 0.01 -0.04 -0.04 3.93 3.87 3fp0A1 THR 170 H 0.01 0.22 -0.19 -0.55 8.28 7.78 3fp0A1 THR 170 HA 0.01 0.16 0.63 -0.75 4.39 4.43 3fp0A1 THR 170 HB 0.01 0.06 0.15 -0.04 4.32 4.50 3fp0A1 THR 170 HG23 0.01 0.06 -0.00 -0.04 1.22 1.25 3fp0A1 PRO 171 HA 0.02 0.24 0.61 -0.51 4.44 4.79 3fp0A1 PRO 171 HB2 0.01 -0.01 -0.01 -0.04 2.28 2.23 3fp0A1 PRO 171 HB3 0.01 0.03 0.05 -0.04 2.02 2.07 3fp0A1 PRO 171 HG2 0.01 0.02 0.07 -0.04 2.03 2.09 3fp0A1 PRO 171 HG3 0.01 0.03 0.05 -0.04 2.03 2.08 3fp0A1 PRO 171 HD2 0.01 0.03 0.23 -0.04 3.68 3.90 3fp0A1 PRO 171 HD3 0.01 0.25 0.30 -0.04 3.65 4.17 3fp0A1 ILE 172 H 0.02 0.67 0.26 -0.55 8.25 8.65 3fp0A1 ILE 172 HA 0.02 0.09 0.49 -0.75 4.18 4.02 3fp0A1 ILE 172 HB 0.02 -0.08 -0.01 -0.04 1.89 1.79 3fp0A1 ILE 172 HG12 0.02 0.00 -1.30 -0.04 1.49 0.17 3fp0A1 ILE 172 HG13 0.02 0.10 -0.46 -0.04 1.21 0.83 3fp0A1 ILE 172 HG23 0.02 0.01 -0.09 -0.04 0.93 0.83 3fp0A1 ILE 172 HD13 0.03 -0.05 1.36 -0.04 0.88 2.18 3fp0A1 PRO 173 HA 0.01 0.04 0.33 -0.51 4.44 4.31 3fp0A1 PRO 173 HB2 0.01 0.10 -0.01 -0.04 2.28 2.34 3fp0A1 PRO 173 HB3 0.01 -0.00 0.11 -0.04 2.02 2.10 3fp0A1 PRO 173 HG2 0.01 0.01 0.08 -0.04 2.03 2.09 3fp0A1 PRO 173 HG3 0.01 0.05 0.09 -0.04 2.03 2.13 3fp0A1 PRO 173 HD2 0.01 0.00 0.15 -0.04 3.68 3.81 3fp0A1 PRO 173 HD3 0.01 0.32 0.30 -0.04 3.65 4.25 3fp0A1 GLN 174 H 0.01 0.09 0.16 -0.55 8.47 8.18 3fp0A1 GLN 174 HA 0.01 0.12 0.56 -0.75 4.36 4.30 3fp0A1 GLN 174 HB2 0.01 -0.05 0.16 -0.04 2.15 2.22 3fp0A1 GLN 174 HB3 0.01 0.01 -0.03 -0.04 2.02 1.96 3fp0A1 ASP 175 H 0.01 0.78 0.38 -0.55 8.40 9.02 3fp0A1 ASP 175 HA 0.01 0.00 0.34 -0.75 4.63 4.23 3fp0A1 ASP 175 HB2 0.01 0.16 -0.01 -0.04 2.71 2.82 3fp0A1 ASP 175 HB3 0.01 0.00 0.12 -0.04 2.70 2.79 3fp0A1 ALA 176 H 0.01 0.52 -0.52 -0.55 8.40 7.86 3fp0A1 ALA 176 HA 0.01 0.07 0.69 -0.75 4.34 4.36 3fp0A1 ALA 176 HB3 0.01 0.02 0.05 -0.04 1.41 1.45 3fp0A1 THR 177 H 0.02 0.11 0.23 -0.55 8.28 8.09 3fp0A1 THR 177 HA 0.02 0.30 1.15 -0.75 4.39 5.11 3fp0A1 THR 177 HB 0.03 0.05 0.05 -0.04 4.32 4.41 3fp0A1 THR 177 HG23 0.02 -0.00 -0.05 -0.04 1.22 1.15 3fp0A1 VAL 178 H 0.02 0.61 0.32 -0.55 8.24 8.64 3fp0A1 VAL 178 HA 0.02 0.28 0.86 -0.75 4.13 4.54 3fp0A1 VAL 178 HB 0.03 -0.06 0.01 -0.04 2.12 2.06 3fp0A1 VAL 178 HG13 0.02 0.01 -0.24 -0.04 0.97 0.72 3fp0A1 VAL 178 HG23 0.03 -0.01 -0.46 -0.04 0.95 0.47 3fp0A1 GLU 179 H 0.01 0.71 0.31 -0.55 8.60 9.09 3fp0A1 GLU 179 HA 0.02 0.14 1.01 -0.75 4.29 4.72 3fp0A1 GLU 179 HB2 0.01 0.05 0.09 -0.04 2.09 2.20 3fp0A1 GLU 179 HB3 0.02 -0.12 0.02 -0.04 1.99 1.86 3fp0A1 GLU 179 HG2 0.02 0.05 -0.07 -0.04 2.34 2.29 3fp0A1 GLU 179 HG3 0.02 0.07 0.02 -0.04 2.34 2.41 3fp0A1 ILE 180 H 0.01 0.67 0.40 -0.55 8.25 8.78 3fp0A1 ILE 180 HA -0.15 0.43 1.03 -0.75 4.18 4.74 3fp0A1 ILE 180 HB -0.08 -0.05 0.14 -0.04 1.89 1.86 3fp0A1 ILE 180 HG12 -0.26 0.04 -0.07 -0.04 1.49 1.16 3fp0A1 ILE 180 HG13 -0.06 -0.06 -0.40 -0.04 1.21 0.64 3fp0A1 ILE 180 HG23 -1.06 -0.00 -0.18 -0.04 0.93 -0.36 3fp0A1 ILE 180 HD13 -0.07 -0.01 -0.12 -0.04 0.88 0.64 3fp0A1 LEU 181 H -0.01 0.59 0.27 -0.55 8.37 8.67 3fp0A1 LEU 181 HA 0.06 0.16 0.96 -0.75 4.35 4.78 3fp0A1 LEU 181 HB2 0.07 -0.12 0.09 -0.04 1.64 1.64 3fp0A1 LEU 181 HB3 0.24 -0.01 0.14 -0.04 1.64 1.97 3fp0A1 LEU 181 HG 0.36 0.15 -0.34 -0.04 1.64 1.77 3fp0A1 LEU 181 HD13 0.11 -0.01 -0.19 -0.04 0.93 0.81 3fp0A1 LEU 181 HD23 0.10 0.00 -0.14 -0.04 0.89 0.82 3fp0A1 PHE 182 H 0.22 0.79 0.28 -0.55 8.34 9.07 3fp0A1 PHE 182 HA 0.03 0.29 1.01 -0.75 4.62 5.20 3fp0A1 PHE 182 HB2 -0.11 -0.15 0.13 -0.04 3.15 2.98 3fp0A1 PHE 182 HB3 -0.11 0.07 0.00 -0.04 3.06 2.99 3fp0A1 PHE 182 HD2 -0.06 0.14 -0.05 -0.04 7.28 7.27 3fp0A1 PHE 182 HE2 -0.02 -0.01 -0.08 -0.04 7.38 7.22 3fp0A1 PHE 182 HZ -0.15 -0.01 -0.08 -0.04 7.32 7.05 3fp0A1 HIS 183 H 0.15 0.64 0.30 -0.55 8.41 8.95 3fp0A1 HIS 183 HA -0.36 0.29 1.02 -0.75 4.63 4.83 3fp0A1 HIS 183 HB2 0.01 -0.05 -0.19 -0.04 3.26 2.99 3fp0A1 HIS 183 HB3 0.22 -0.00 -0.02 -0.04 3.20 3.36 3fp0A1 HIS 183 HD2 -1.02 0.20 -0.03 -0.04 6.97 6.07 3fp0A1 HIS 183 HE1 0.12 0.02 -0.11 -0.04 7.75 7.74 3fp0A1 SER 184 H -0.21 0.76 0.28 -0.55 8.46 8.74 3fp0A1 SER 184 HA -0.07 0.32 0.83 -0.75 4.49 4.81 3fp0A1 SER 184 HB2 -0.21 -0.19 -0.05 -0.04 3.95 3.46 3fp0A1 SER 184 HB3 0.19 0.16 -0.02 -0.04 3.93 4.22 3fp0A1 ASN 185 H 0.17 0.59 0.11 -0.55 8.53 8.85 3fp0A1 ASN 185 HA 0.14 0.01 0.60 -0.75 4.76 4.76 3fp0A1 ASN 185 HB2 0.24 0.31 -0.18 -0.04 2.88 3.21 3fp0A1 ASN 185 HB3 0.45 -0.08 -0.01 -0.04 2.79 3.10 3fp0A1 ASN 185 HD21 0.16 -0.03 -0.03 -0.04 7.03 7.10 3fp0A1 ASN 185 HD22 0.24 0.50 -0.02 -0.04 7.74 8.42 3fp0A1 HIS 186 H 0.25 0.23 0.05 -0.55 8.41 8.39 3fp0A1 HIS 186 HA 0.22 0.04 0.24 -0.75 4.63 4.38 3fp0A1 HIS 186 HB2 0.17 0.30 -0.04 -0.04 3.26 3.65 3fp0A1 HIS 186 HB3 0.13 -0.00 -0.08 -0.04 3.20 3.20 3fp0A1 HIS 186 HD2 0.13 0.17 0.03 -0.04 6.97 7.26 3fp0A1 HIS 186 HE1 0.08 -0.22 0.07 -0.04 7.75 7.64 3fp0A1 LEU 187 H -0.06 0.07 -0.51 -0.55 8.37 7.33 3fp0A1 LEU 187 HA -0.14 0.02 0.22 -0.75 4.35 3.69 3fp0A1 LEU 187 HB2 -0.29 0.05 -0.07 -0.04 1.64 1.28 3fp0A1 LEU 187 HB3 -1.20 0.04 -0.07 -0.04 1.64 0.37 3fp0A1 LEU 187 HG -0.60 -0.01 -0.26 -0.04 1.64 0.74 3fp0A1 LEU 187 HD13 -0.16 -0.02 -0.02 -0.04 0.93 0.69 3fp0A1 LEU 187 HD23 -0.41 0.01 -0.15 -0.04 0.89 0.30 3fp0A1 PHE 188 H -0.22 0.32 -0.36 -0.55 8.34 7.53 3fp0A1 PHE 188 HA -0.27 0.03 0.27 -0.75 4.62 3.90 3fp0A1 PHE 188 HB2 -0.83 0.11 0.02 -0.04 3.15 2.42 3fp0A1 PHE 188 HB3 -0.82 0.02 0.11 -0.04 3.06 2.33 3fp0A1 PHE 188 HD2 -0.08 0.03 -0.04 -0.04 7.28 7.15 3fp0A1 PHE 188 HE2 -0.04 0.09 -0.21 -0.04 7.38 7.18 3fp0A1 PHE 188 HZ -0.07 -0.10 -0.34 -0.04 7.32 6.77 3fp0A1 TRP 189 H 0.22 0.52 -0.37 -0.55 7.97 7.80 3fp0A1 TRP 189 HA 0.08 0.23 0.86 -0.75 4.62 5.04 3fp0A1 TRP 189 HB2 0.01 -0.03 -0.27 -0.04 3.23 2.90 3fp0A1 TRP 189 HB3 0.02 -0.06 -0.02 -0.04 3.23 3.13 3fp0A1 TRP 189 HD1 0.07 0.19 -0.14 -0.04 7.22 7.31 3fp0A1 TRP 189 HE1 0.04 0.44 0.02 -0.04 10.20 10.65 3fp0A1 TRP 189 HE3 0.07 0.07 -0.22 -0.04 7.59 7.46 3fp0A1 TRP 189 HZ2 -0.37 0.02 -0.26 -0.04 7.44 6.79 3fp0A1 TRP 189 HZ3 0.13 -0.02 -0.12 -0.04 7.13 7.08 3fp0A1 TRP 189 HH2 -1.35 0.00 -0.13 -0.04 7.19 5.68 3fp0A1 ASP 190 H 0.26 0.16 -0.05 -0.55 8.40 8.23 3fp0A1 ASP 190 HA 0.35 0.38 0.36 -0.75 4.63 4.96 3fp0A1 ASP 190 HB2 0.14 -0.05 0.19 -0.04 2.71 2.95 3fp0A1 ASP 190 HB3 0.18 0.04 0.13 -0.04 2.70 3.01 3fp0A1 GLY 191 H 0.03 0.20 0.05 -0.55 8.43 8.16 3fp0A1 GLY 191 HA2 0.03 0.12 0.34 -0.51 4.01 3.99 3fp0A1 GLY 191 HA3 -0.33 0.08 0.24 -0.51 4.01 3.49 3fp0A1 ILE 192 H -0.11 0.00 -0.29 -0.55 8.25 7.30 3fp0A1 ILE 192 HA -0.62 0.14 0.46 -0.75 4.18 3.41 3fp0A1 ILE 192 HB -0.15 -0.05 0.12 -0.04 1.89 1.77 3fp0A1 ILE 192 HG12 -0.09 -0.11 0.05 -0.04 1.49 1.30 3fp0A1 ILE 192 HG13 -0.05 0.01 0.06 -0.04 1.21 1.19 3fp0A1 ILE 192 HG23 -0.52 0.04 -0.10 -0.04 0.93 0.32 3fp0A1 ILE 192 HD13 -0.05 0.02 -0.04 -0.04 0.88 0.77 3fp0A1 GLY 193 H -0.07 0.00 -0.06 -0.55 8.43 7.76 3fp0A1 GLY 193 HA2 -0.34 0.09 0.39 -0.51 4.01 3.64 3fp0A1 GLY 193 HA3 0.16 0.33 0.39 -0.51 4.01 4.39 3fp0A1 CYS 194 H -0.07 0.44 -0.27 -0.55 8.50 8.06 3fp0A1 CYS 194 HA -1.00 0.11 0.27 -0.75 4.58 3.20 3fp0A1 CYS 194 HB2 -0.39 0.10 -0.07 -0.04 2.97 2.58 3fp0A1 CYS 194 HB3 -0.17 -0.05 -0.07 -0.04 2.97 2.64 3fp0A1 ARG 195 H -0.20 0.35 -0.26 -0.55 8.46 7.80 3fp0A1 ARG 195 HA -0.21 -0.02 0.44 -0.75 4.34 3.79 3fp0A1 ARG 195 HB2 -0.29 0.21 0.18 -0.04 1.90 1.96 3fp0A1 ARG 195 HB3 0.02 -0.06 -0.10 -0.04 1.80 1.62 3fp0A1 ARG 195 HG2 -0.03 -0.08 -0.02 -0.04 1.67 1.51 3fp0A1 ARG 195 HG3 0.02 0.01 0.02 -0.04 1.67 1.69 3fp0A1 ARG 195 HD2 0.19 -0.01 -0.04 -0.04 3.22 3.32 3fp0A1 ARG 195 HD3 0.00 -0.10 -0.06 -0.04 3.22 3.03 3fp0A1 LYS 196 H -0.35 0.64 -0.16 -0.55 8.42 8.00 3fp0A1 LYS 196 HA 0.01 0.10 0.51 -0.75 4.32 4.19 3fp0A1 LYS 196 HB2 -0.52 0.09 0.10 -0.04 1.87 1.50 3fp0A1 LYS 196 HB3 -0.19 -0.01 -0.01 -0.04 1.79 1.53 3fp0A1 LYS 196 HG2 -0.01 0.01 0.01 -0.04 1.46 1.44 3fp0A1 LYS 196 HG3 -0.77 0.06 -0.01 -0.04 1.46 0.70 3fp0A1 LYS 196 HD2 -0.29 -0.07 -0.10 -0.04 1.69 1.19 3fp0A1 LYS 196 HD3 -0.59 -0.03 -0.21 -0.04 1.68 0.81 3fp0A1 LYS 196 HE2 -0.43 -0.08 -0.21 -0.04 2.99 2.23 3fp0A1 LYS 196 HE3 -0.70 0.00 -0.10 -0.04 2.99 2.15 3fp0A1 PHE 197 H 0.07 0.58 -0.20 -0.55 8.34 8.24 3fp0A1 PHE 197 HA 0.17 0.01 0.36 -0.75 4.62 4.40 3fp0A1 PHE 197 HB2 0.16 0.08 0.08 -0.04 3.15 3.42 3fp0A1 PHE 197 HB3 -0.47 0.09 0.08 -0.04 3.06 2.73 3fp0A1 PHE 197 HD2 0.03 0.00 -0.12 -0.04 7.28 7.15 3fp0A1 PHE 197 HE2 0.22 0.12 -0.12 -0.04 7.38 7.56 3fp0A1 PHE 197 HZ 0.32 0.01 -0.14 -0.04 7.32 7.47 3fp0A1 VAL 198 H -0.26 0.53 -0.16 -0.55 8.24 7.80 3fp0A1 VAL 198 HA -0.67 -0.02 0.42 -0.75 4.13 3.11 3fp0A1 VAL 198 HB -0.50 0.16 0.13 -0.04 2.12 1.86 3fp0A1 VAL 198 HG13 -1.06 -0.03 -0.16 -0.04 0.97 -0.33 3fp0A1 VAL 198 HG23 -1.33 0.01 -0.04 -0.04 0.95 -0.45 3fp0A1 GLY 199 H -0.17 0.56 -0.26 -0.55 8.43 8.01 3fp0A1 GLY 199 HA2 -0.05 -0.11 0.47 -0.51 4.01 3.80 3fp0A1 GLY 199 HA3 0.01 0.49 0.50 -0.51 4.01 4.51 3fp0A1 ASP 200 H -0.05 0.62 -0.06 -0.55 8.40 8.37 3fp0A1 ASP 200 HA 0.04 -0.00 0.50 -0.75 4.63 4.42 3fp0A1 ASP 200 HB2 -0.27 0.17 0.15 -0.04 2.71 2.72 3fp0A1 ASP 200 HB3 -0.04 -0.08 -0.04 -0.04 2.70 2.50 3fp0A1 LEU 201 H -0.26 0.64 -0.14 -0.55 8.37 8.07 3fp0A1 LEU 201 HA 0.01 -0.00 0.52 -0.75 4.35 4.12 3fp0A1 LEU 201 HB2 -0.04 0.15 0.12 -0.04 1.64 1.82 3fp0A1 LEU 201 HB3 0.37 -0.10 -0.05 -0.04 1.64 1.82 3fp0A1 LEU 201 HG -0.59 0.16 -0.00 -0.04 1.64 1.17 3fp0A1 LEU 201 HD13 0.25 -0.01 -0.09 -0.04 0.93 1.03 3fp0A1 LEU 201 HD23 0.09 -0.01 -0.16 -0.04 0.89 0.76 3fp0A1 PHE 202 H 0.06 0.60 -0.14 -0.55 8.34 8.30 3fp0A1 PHE 202 HA 0.13 -0.04 0.42 -0.75 4.62 4.38 3fp0A1 PHE 202 HB2 0.09 0.18 0.15 -0.04 3.15 3.53 3fp0A1 PHE 202 HB3 0.12 -0.05 -0.01 -0.04 3.06 3.07 3fp0A1 PHE 202 HD2 0.26 0.00 -0.14 -0.04 7.28 7.36 3fp0A1 PHE 202 HE2 0.27 -0.03 -0.12 -0.04 7.38 7.46 3fp0A1 PHE 202 HZ 0.35 -0.05 -0.10 -0.04 7.32 7.48 3fp0A1 ARG 203 H 0.15 0.49 -0.23 -0.55 8.46 8.32 3fp0A1 ARG 203 HA 0.09 0.01 0.65 -0.75 4.34 4.33 3fp0A1 ARG 203 HB2 0.09 0.01 0.14 -0.04 1.90 2.10 3fp0A1 ARG 203 HB3 0.07 0.17 0.28 -0.04 1.80 2.28 3fp0A1 ARG 203 HG2 0.04 0.00 -0.20 -0.04 1.67 1.47 3fp0A1 ARG 203 HG3 0.04 -0.09 -0.00 -0.04 1.67 1.58 3fp0A1 ARG 203 HD2 0.05 -0.04 -0.02 -0.04 3.22 3.16 3fp0A1 ARG 203 HD3 0.06 -0.01 0.01 -0.04 3.22 3.23 3fp0A1 LEU 204 H 0.06 0.71 0.03 -0.55 8.37 8.63 3fp0A1 LEU 204 HA 0.03 -0.00 0.25 -0.75 4.35 3.87 3fp0A1 LEU 204 HB2 0.07 0.06 0.20 -0.04 1.64 1.93 3fp0A1 LEU 204 HB3 0.13 -0.09 0.08 -0.04 1.64 1.72 3fp0A1 LEU 204 HG 0.04 0.09 0.09 -0.04 1.64 1.83 3fp0A1 LEU 204 HD13 0.03 -0.01 -0.17 -0.04 0.93 0.74 3fp0A1 LEU 204 HD23 0.05 -0.02 -0.04 -0.04 0.89 0.84 3fp0A1 VAL 205 H 0.03 0.69 -0.14 -0.55 8.24 8.28 3fp0A1 VAL 205 HA 0.08 0.02 0.35 -0.75 4.13 3.83 3fp0A1 VAL 205 HB -0.42 0.13 0.08 -0.04 2.12 1.87 3fp0A1 VAL 205 HG13 -0.18 0.02 -0.09 -0.04 0.97 0.68 3fp0A1 VAL 205 HG23 -0.75 -0.02 -0.19 -0.04 0.95 -0.04 3fp0A1 GLY 206 H -0.01 0.46 -0.52 -0.55 8.43 7.82 3fp0A1 GLY 206 HA2 -0.04 -0.02 0.41 -0.51 4.01 3.84 3fp0A1 GLY 206 HA3 -0.03 0.23 0.44 -0.51 4.01 4.14 3fp0A1 SER 207 H -0.15 0.51 -0.29 -0.55 8.46 7.99 3fp0A1 SER 207 HA -0.23 -0.04 0.58 -0.75 4.49 4.05 3fp0A1 SER 207 HB2 -0.86 0.20 0.04 -0.04 3.95 3.29 3fp0A1 SER 207 HB3 -0.73 -0.07 0.04 -0.04 3.93 3.13 3fp0A1 TYR 208 H -0.08 0.57 -0.27 -0.55 8.29 7.95 3fp0A1 TYR 208 HA -0.03 0.12 0.86 -0.75 4.56 4.76 3fp0A1 TYR 208 HB2 -0.07 0.14 0.11 -0.04 3.06 3.20 3fp0A1 TYR 208 HB3 -0.03 -0.14 0.14 -0.04 2.98 2.90 3fp0A1 TYR 208 HD2 -0.04 -0.03 -0.01 -0.04 7.15 7.04 3fp0A1 TYR 208 HE2 -0.01 0.02 -0.12 -0.04 6.85 6.70 3fp0A1 ILE 209 H -0.02 0.25 -0.04 -0.55 8.25 7.90 3fp0A1 ILE 209 HA 0.02 0.04 0.63 -0.75 4.18 4.11 3fp0A1 ILE 209 HB -0.02 0.02 0.11 -0.04 1.89 1.96 3fp0A1 ILE 209 HG12 -0.02 -0.02 -0.06 -0.04 1.49 1.35 3fp0A1 ILE 209 HG13 -0.03 0.18 0.03 -0.04 1.21 1.35 3fp0A1 ILE 209 HG23 0.00 -0.00 -0.12 -0.04 0.93 0.77 3fp0A1 ILE 209 HD13 -0.03 0.00 -0.19 -0.04 0.88 0.63 3fp0A1 GLY 210 H 0.02 0.15 0.18 -0.55 8.43 8.24 3fp0A1 GLY 210 HA2 0.01 0.04 0.31 -0.51 4.01 3.85 3fp0A1 GLY 210 HA3 -0.00 0.21 0.51 -0.51 4.01 4.21 3fp0A1 ARG 211 H 0.03 0.30 -0.35 -0.55 8.46 7.88 3fp0A1 ARG 211 HA 0.02 0.20 0.60 -0.75 4.34 4.39 3fp0A1 ASP 213 HA 0.02 0.00 0.16 -0.75 4.63 4.06 3fp0A1 ASP 213 HB2 0.01 0.04 0.11 -0.04 2.71 2.83 3fp0A1 ASP 213 HB3 0.01 0.03 0.07 -0.04 2.70 2.77 3fp0A1 SER 214 H 0.06 0.13 0.11 -0.55 8.46 8.21 3fp0A1 SER 214 HA 0.11 0.10 0.37 -0.75 4.49 4.32 3fp0A1 SER 214 HB2 0.08 0.08 0.08 -0.04 3.95 4.15 3fp0A1 SER 214 HB3 0.16 -0.04 0.14 -0.04 3.93 4.15 3fp0A1 ARG 215 H 0.03 0.04 -0.34 -0.55 8.46 7.64 3fp0A1 ARG 215 HA 0.02 0.10 0.43 -0.75 4.34 4.14 3fp0A1 ARG 215 HB2 0.02 -0.04 0.05 -0.04 1.90 1.89 3fp0A1 ARG 215 HB3 0.02 -0.02 -0.02 -0.04 1.80 1.74 3fp0A1 GLU 216 H 0.02 0.37 -0.27 -0.55 8.60 8.17 3fp0A1 GLU 216 HA 0.01 0.13 0.65 -0.75 4.29 4.32 3fp0A1 GLU 216 HB2 0.01 0.14 0.07 -0.04 2.09 2.27 3fp0A1 GLU 216 HB3 0.00 -0.03 0.08 -0.04 1.99 2.00 3fp0A1 GLU 216 HG2 0.01 0.02 -0.05 -0.04 2.34 2.27 3fp0A1 GLU 216 HG3 0.01 -0.11 -0.05 -0.04 2.34 2.15 3fp0A1 MET 217 H 0.03 0.22 -0.36 -0.55 8.47 7.81 3fp0A1 MET 217 HA -0.00 -0.01 0.34 -0.75 4.52 4.09 3fp0A1 MET 217 HB2 0.05 0.10 0.04 -0.04 2.15 2.30 3fp0A1 MET 217 HB3 0.01 -0.02 0.07 -0.04 2.03 2.05 3fp0A1 MET 217 HG2 0.02 -0.02 -0.03 -0.04 2.63 2.56 3fp0A1 MET 217 HG3 0.06 -0.03 0.02 -0.04 2.56 2.56 3fp0A1 LYS 218 H -0.04 0.03 0.12 -0.55 8.42 7.98 3fp0A1 LYS 218 HA -0.05 0.00 0.41 -0.75 4.32 3.93 3fp0A1 LYS 218 HB2 -0.06 -0.04 0.15 -0.04 1.87 1.88 3fp0A1 LYS 218 HB3 -0.10 0.01 0.03 -0.04 1.79 1.69 3fp0A1 LYS 218 HG2 -0.08 0.06 0.02 -0.04 1.46 1.42 3fp0A1 LYS 218 HG3 -0.06 -0.03 0.06 -0.04 1.46 1.39 3fp0A1 LYS 218 HD2 -0.12 -0.00 -0.03 -0.04 1.69 1.50 3fp0A1 LYS 218 HD3 -0.09 0.00 -0.01 -0.04 1.68 1.54 3fp0A1 LYS 218 HE2 -0.05 -0.01 0.01 -0.04 2.99 2.90 3fp0A1 LYS 218 HE3 -0.06 -0.02 0.02 -0.04 2.99 2.89 3fp0A1 LYS 219 H -0.06 0.05 0.15 -0.55 8.42 8.01 3fp0A1 LYS 219 HA -0.07 0.07 0.44 -0.75 4.32 4.02 3fp0A1 LYS 219 HB2 -0.03 -0.03 0.09 -0.04 1.87 1.86 3fp0A1 LYS 219 HB3 -0.02 0.04 0.12 -0.04 1.79 1.89 3fp0A1 ILE 220 H -0.18 0.09 0.16 -0.55 8.25 7.76 3fp0A1 ILE 220 HA -0.53 0.13 0.53 -0.75 4.18 3.55 3fp0A1 ILE 220 HB -0.81 -0.07 0.09 -0.04 1.89 1.06 3fp0A1 ILE 220 HG12 -0.43 0.08 -0.05 -0.04 1.49 1.04 3fp0A1 ILE 220 HG13 -0.20 -0.00 0.04 -0.04 1.21 1.00 3fp0A1 ILE 220 HG23 -1.55 0.00 -0.19 -0.04 0.93 -0.85 3fp0A1 ILE 220 HD13 -0.07 0.01 -0.12 -0.04 0.88 0.66 3fp0A1 GLN 221 H -0.41 0.20 0.05 -0.55 8.47 7.76 3fp0A1 GLN 221 HA -0.10 0.13 0.63 -0.75 4.36 4.27 3fp0A1 GLN 221 HB2 -0.06 -0.02 0.18 -0.04 2.15 2.21 3fp0A1 GLN 221 HB3 -0.02 0.04 0.08 -0.04 2.02 2.07 3fp0A1 GLN 221 HG2 -0.15 0.12 -0.09 -0.04 2.40 2.23 3fp0A1 GLN 221 HG3 -0.08 0.00 0.01 -0.04 2.39 2.28 3fp0A1 TRP 222 H -0.04 0.28 -0.05 -0.55 7.97 7.60 3fp0A1 TRP 222 HA 0.13 -0.04 0.32 -0.75 4.62 4.28 3fp0A1 TRP 222 HB2 0.01 0.03 0.01 -0.04 3.23 3.24 3fp0A1 TRP 222 HB3 -0.00 0.06 0.01 -0.04 3.23 3.26 3fp0A1 TRP 222 HD1 0.02 -0.08 -0.14 -0.04 7.22 6.98 3fp0A1 TRP 222 HE1 0.05 -0.03 0.04 -0.04 10.20 10.22 3fp0A1 TRP 222 HE3 0.06 -0.11 -0.01 -0.04 7.59 7.50 3fp0A1 TRP 222 HZ2 0.11 -0.02 -0.01 -0.04 7.44 7.49 3fp0A1 TRP 222 HZ3 0.05 0.09 -0.23 -0.04 7.13 7.00 3fp0A1 TRP 222 HH2 0.13 0.15 0.03 -0.04 7.19 7.46 3fp0A1 GLY 223 H 0.32 0.07 0.11 -0.55 8.43 8.38 3fp0A1 GLY 223 HA2 0.08 0.03 0.40 -0.51 4.01 4.00 3fp0A1 GLY 223 HA3 0.08 0.27 0.82 -0.51 4.01 4.67 3fp0A1 GLN 224 H 0.11 0.59 -0.07 -0.55 8.47 8.56 3fp0A1 GLN 224 HA -0.03 0.09 0.30 -0.75 4.36 3.97 3fp0A1 GLN 224 HB2 0.31 0.05 0.07 -0.04 2.15 2.53 3fp0A1 GLN 224 HB3 0.11 0.00 0.12 -0.04 2.02 2.21 3fp0A1 GLN 224 HG2 0.03 -0.02 -0.00 -0.04 2.40 2.37 3fp0A1 GLN 224 HG3 0.07 0.11 0.01 -0.04 2.39 2.53 3fp0A1 GLN 224 HE21 -0.01 -0.02 0.01 -0.04 6.97 6.91 3fp0A1 GLN 224 HE22 0.01 0.00 -0.00 -0.04 7.69 7.66 3fp0A1 GLU 225 H -0.19 -0.09 -0.36 -0.55 8.60 7.42 3fp0A1 GLU 225 HA -0.77 0.27 0.74 -0.75 4.29 3.77 3fp0A1 GLU 225 HB2 -0.62 0.43 0.17 -0.04 2.09 2.02 3fp0A1 GLU 225 HB3 -0.88 -0.13 0.04 -0.04 1.99 0.97 3fp0A1 GLU 225 HG2 -0.27 0.04 -0.45 -0.04 2.34 1.61 3fp0A1 GLU 225 HG3 0.04 0.11 -0.17 -0.04 2.34 2.28 3fp0A1 ILE 226 H -0.16 0.34 -0.17 -0.55 8.25 7.71 3fp0A1 ILE 226 HA -0.37 0.04 0.35 -0.75 4.18 3.45 3fp0A1 ILE 226 HB -0.12 0.10 0.13 -0.04 1.89 1.95 3fp0A1 ILE 226 HG12 0.04 -0.00 -0.03 -0.04 1.49 1.45 3fp0A1 ILE 226 HG13 0.03 -0.16 0.04 -0.04 1.21 1.08 3fp0A1 ILE 226 HG23 -0.24 0.01 -0.14 -0.04 0.93 0.52 3fp0A1 ILE 226 HD13 -0.04 0.05 0.07 -0.04 0.88 0.91 3fp0A1 LYS 227 H -0.18 0.14 -0.25 -0.55 8.42 7.57 3fp0A1 LYS 227 HA -0.16 0.06 0.37 -0.75 4.32 3.84 3fp0A1 LYS 227 HB2 -0.07 -0.01 0.08 -0.04 1.87 1.83 3fp0A1 LYS 227 HB3 -0.09 -0.06 0.06 -0.04 1.79 1.66 3fp0A1 LYS 227 HG2 -0.15 0.13 -0.03 -0.04 1.46 1.38 3fp0A1 LYS 227 HG3 -0.12 0.07 -0.26 -0.04 1.46 1.11 3fp0A1 LYS 227 HD2 -0.04 -0.03 -0.02 -0.04 1.69 1.56 3fp0A1 LYS 227 HD3 -0.05 -0.06 0.01 -0.04 1.68 1.54 3fp0A1 LYS 227 HE2 -0.04 0.03 0.01 -0.04 2.99 2.94 3fp0A1 LYS 227 HE3 -0.02 -0.08 0.01 -0.04 2.99 2.86 3fp0A1 ASN 228 H -0.29 0.28 -0.76 -0.55 8.53 7.21 3fp0A1 ASN 228 HA -0.15 0.06 0.65 -0.75 4.76 4.57 3fp0A1 ASN 228 HB2 -0.39 0.23 0.15 -0.04 2.88 2.83 3fp0A1 ASN 228 HB3 -0.29 0.21 0.11 -0.04 2.79 2.78 3fp0A1 ASN 228 HD21 -0.25 -0.18 -0.00 -0.04 7.03 6.57 3fp0A1 ASN 228 HD22 -0.59 0.57 0.17 -0.04 7.74 7.85 3fp0A1 LEU 229 H -0.36 0.33 -0.13 -0.55 8.37 7.66 3fp0A1 LEU 229 HA -0.25 -0.15 0.48 -0.75 4.35 3.68 3fp0A1 LEU 229 HB2 -0.58 0.13 0.07 -0.04 1.64 1.22 3fp0A1 LEU 229 HB3 -0.25 0.05 -0.05 -0.04 1.64 1.35 3fp0A1 LEU 229 HG -0.76 0.01 0.01 -0.04 1.64 0.86 3fp0A1 LEU 229 HD13 -1.32 -0.00 -0.04 -0.04 0.93 -0.47 3fp0A1 LEU 229 HD23 -0.43 -0.04 -0.14 -0.04 0.89 0.24 3fp0A1 SER 230 H -0.09 -0.07 0.19 -0.55 8.46 7.95 3fp0A1 SER 230 HA -0.04 0.18 0.54 -0.75 4.49 4.42 3fp0A1 SER 230 HB2 -0.41 -0.06 0.10 -0.04 3.95 3.55 3fp0A1 SER 230 HB3 -1.12 0.09 0.08 -0.04 3.93 2.95 3fp0A1 PRO 231 HA 0.37 0.13 0.37 -0.51 4.44 4.80 3fp0A1 PRO 231 HB2 0.19 0.03 -0.04 -0.04 2.28 2.42 3fp0A1 PRO 231 HB3 0.17 0.06 0.07 -0.04 2.02 2.28 3fp0A1 PRO 231 HG2 0.34 -0.05 -0.08 -0.04 2.03 2.20 3fp0A1 PRO 231 HG3 0.19 0.03 0.03 -0.04 2.03 2.24 3fp0A1 PRO 231 HD2 0.20 -0.01 0.19 -0.04 3.68 4.03 3fp0A1 PRO 231 HD3 0.13 0.28 0.21 -0.04 3.65 4.23 3fp0A1 PRO 232 HA -0.03 0.07 0.49 -0.51 4.44 4.46 3fp0A1 PRO 232 HB2 0.03 -0.19 0.02 -0.04 2.28 2.10 3fp0A1 PRO 232 HB3 -0.09 0.23 0.02 -0.04 2.02 2.14 3fp0A1 PRO 232 HG2 0.02 -0.02 0.12 -0.04 2.03 2.11 3fp0A1 PRO 232 HG3 -0.35 0.09 0.13 -0.04 2.03 1.87 3fp0A1 PRO 232 HD2 0.16 0.08 0.15 -0.04 3.68 4.02 3fp0A1 PRO 232 HD3 0.36 0.20 0.18 -0.04 3.65 4.35 3fp0A1 VAL 233 H 0.13 0.19 0.13 -0.55 8.24 8.14 3fp0A1 VAL 233 HA 0.05 0.14 0.29 -0.75 4.13 3.86 3fp0A1 VAL 233 HB 0.18 0.15 0.08 -0.04 2.12 2.48 3fp0A1 VAL 233 HG13 -0.03 -0.01 -0.01 -0.04 0.97 0.89 3fp0A1 VAL 233 HG23 -0.14 -0.01 -0.13 -0.04 0.95 0.62 3fp0A1 VAL 234 H 0.01 0.13 -0.18 -0.55 8.24 7.65 3fp0A1 VAL 234 HA 0.00 0.04 0.33 -0.75 4.13 3.75 3fp0A1 VAL 234 HB 0.09 0.04 0.01 -0.04 2.12 2.21 3fp0A1 VAL 234 HG13 0.04 -0.01 -0.08 -0.04 0.97 0.89 3fp0A1 VAL 234 HG23 0.02 0.00 -0.02 -0.04 0.95 0.91 3fp0A1 ASP 235 H 0.05 0.13 -0.33 -0.55 8.40 7.70 3fp0A1 ASP 235 HA 0.04 0.04 0.40 -0.75 4.63 4.36 3fp0A1 ASP 235 HB2 0.07 0.14 0.01 -0.04 2.71 2.89 3fp0A1 ASP 235 HB3 0.06 0.01 0.09 -0.04 2.70 2.82 3fp0A1 SER 236 H 0.04 0.32 -0.77 -0.55 8.46 7.51 3fp0A1 SER 236 HA 0.06 0.12 0.62 -0.75 4.49 4.54 3fp0A1 SER 236 HB2 -0.00 0.05 -0.00 -0.04 3.95 3.96 3fp0A1 SER 236 HB3 0.05 -0.14 0.05 -0.04 3.93 3.84 3fp0A1 LEU 237 H 0.02 0.31 -0.15 -0.55 8.37 8.00 3fp0A1 LEU 237 HA 0.04 0.12 0.59 -0.75 4.35 4.35 3fp0A1 LEU 237 HB2 0.02 0.20 0.12 -0.04 1.64 1.94 3fp0A1 LEU 237 HB3 0.06 -0.17 0.17 -0.04 1.64 1.66 3fp0A1 LEU 237 HG 0.00 0.21 0.14 -0.04 1.64 1.95 3fp0A1 LEU 237 HD13 -0.01 -0.05 0.04 -0.04 0.93 0.87 3fp0A1 LEU 237 HD23 0.02 -0.04 -0.13 -0.04 0.89 0.70 3fp0A1 LYS 238 H 0.07 0.58 0.27 -0.55 8.42 8.79 3fp0A1 LYS 238 HA 0.03 0.05 0.54 -0.75 4.32 4.18 3fp0A1 LYS 238 HB2 0.07 0.01 0.12 -0.04 1.87 2.02 3fp0A1 LYS 238 HB3 0.03 -0.05 0.01 -0.04 1.79 1.74 3fp0A1 LYS 238 HG2 0.01 -0.11 -0.03 -0.04 1.46 1.30 3fp0A1 LYS 238 HG3 0.02 0.04 -0.45 -0.04 1.46 1.03 3fp0A1 LYS 238 HD2 -0.01 0.03 -0.00 -0.04 1.69 1.66 3fp0A1 LYS 238 HD3 -0.01 -0.07 -0.00 -0.04 1.68 1.55 3fp0A1 LYS 238 HE2 -0.03 -0.21 0.01 -0.04 2.99 2.72 3fp0A1 LYS 238 HE3 -0.06 0.35 -0.07 -0.04 2.99 3.16 3fp0A1 LEU 239 H 0.07 0.06 -0.06 -0.55 8.37 7.89 3fp0A1 LEU 239 HA 0.03 0.06 0.37 -0.75 4.35 4.05 3fp0A1 LEU 239 HB2 0.08 0.08 0.05 -0.04 1.64 1.81 3fp0A1 LEU 239 HB3 0.03 -0.05 0.03 -0.04 1.64 1.60 3fp0A1 LEU 239 HG -0.01 0.08 -0.29 -0.04 1.64 1.37 3fp0A1 LEU 239 HD13 0.04 0.00 -0.08 -0.04 0.93 0.85 3fp0A1 LEU 239 HD23 -0.00 -0.01 -0.13 -0.04 0.89 0.70 3fp0A1 ASP 240 H 0.00 0.15 0.15 -0.55 8.40 8.15 3fp0A1 ASP 240 HA -0.01 0.17 0.77 -0.75 4.63 4.81 3fp0A1 ASP 240 HB2 0.00 0.12 0.14 -0.04 2.71 2.93 3fp0A1 ASP 240 HB3 -0.01 -0.04 0.21 -0.04 2.70 2.82 3fp0A1 ILE 241 H -0.03 0.28 0.10 -0.55 8.25 8.05 3fp0A1 ILE 241 HA -0.15 0.05 0.24 -0.75 4.18 3.56 3fp0A1 ILE 241 HB -0.17 0.03 0.13 -0.04 1.89 1.83 3fp0A1 ILE 241 HG12 -0.02 0.05 0.07 -0.04 1.49 1.55 3fp0A1 ILE 241 HG13 -0.03 -0.03 -0.00 -0.04 1.21 1.10 3fp0A1 ILE 241 HG23 -0.09 0.03 0.03 -0.04 0.93 0.86 3fp0A1 ILE 241 HD13 0.00 0.02 -0.04 -0.04 0.88 0.82 3fp0A1 ASN 242 H -0.04 0.06 -0.20 -0.55 8.53 7.81 3fp0A1 ASN 242 HA -0.03 0.11 0.50 -0.75 4.76 4.58 3fp0A1 ASN 242 HB2 -0.02 -0.01 -0.00 -0.04 2.88 2.81 3fp0A1 ASN 242 HB3 -0.01 0.05 0.06 -0.04 2.79 2.84 3fp0A1 ASN 242 HD21 -0.01 -0.02 0.04 -0.04 7.03 6.99 3fp0A1 ASN 242 HD22 -0.01 0.06 0.07 -0.04 7.74 7.82 3fp0A1 THR 243 H -0.05 0.37 -0.40 -0.55 8.28 7.65 3fp0A1 THR 243 HA -0.02 0.10 0.44 -0.75 4.39 4.16 3fp0A1 THR 243 HB -0.01 -0.05 0.10 -0.04 4.32 4.32 3fp0A1 THR 243 HG23 -0.01 -0.03 0.02 -0.04 1.22 1.17 3fp0A1 LEU 244 H -0.12 0.37 -0.26 -0.55 8.37 7.81 3fp0A1 LEU 244 HA -0.05 -0.06 0.42 -0.75 4.35 3.90 3fp0A1 LEU 244 HB2 -0.31 0.16 0.12 -0.04 1.64 1.56 3fp0A1 LEU 244 HB3 -0.34 -0.11 0.08 -0.04 1.64 1.22 3fp0A1 LEU 244 HG -0.29 0.02 0.07 -0.04 1.64 1.40 3fp0A1 LEU 244 HD13 -1.40 0.01 0.05 -0.04 0.93 -0.45 3fp0A1 LEU 244 HD23 -0.22 -0.03 -0.01 -0.04 0.89 0.59 3fp0A1 GLY 245 H 0.04 -0.07 0.12 -0.55 8.43 7.98 3fp0A1 GLY 245 HA2 0.03 0.29 0.69 -0.51 4.01 4.51 3fp0A1 GLY 245 HA3 0.03 0.02 0.44 -0.51 4.01 3.99 3fp0A1 SER 246 H 0.02 0.22 0.19 -0.55 8.46 8.35 3fp0A1 SER 246 HA -0.00 0.12 0.17 -0.75 4.49 4.02 3fp0A1 SER 246 HB2 -0.01 0.06 0.08 -0.04 3.95 4.05 3fp0A1 SER 246 HB3 0.00 0.07 0.12 -0.04 3.93 4.08 3fp0A1 GLU 247 H 0.05 0.09 -0.03 -0.55 8.60 8.16 3fp0A1 GLU 247 HA 0.03 0.13 0.52 -0.75 4.29 4.22 3fp0A1 GLU 247 HB2 0.08 0.04 0.13 -0.04 2.09 2.29 3fp0A1 GLU 247 HB3 0.18 -0.07 0.08 -0.04 1.99 2.13 3fp0A1 PHE 248 H 0.07 0.06 -0.19 -0.55 8.34 7.73 3fp0A1 PHE 248 HA -1.10 0.06 0.46 -0.75 4.62 3.29 3fp0A1 PHE 248 HB2 -0.50 -0.06 0.11 -0.04 3.15 2.66 3fp0A1 PHE 248 HB3 -0.25 0.18 0.13 -0.04 3.06 3.08 3fp0A1 PHE 248 HD2 -0.97 0.02 -0.04 -0.04 7.28 6.24 3fp0A1 PHE 248 HE2 -0.19 0.01 -0.09 -0.04 7.38 7.07 3fp0A1 PHE 248 HZ -0.14 0.08 -0.21 -0.04 7.32 7.01 3fp0A1 ASP 249 H -0.06 0.40 -0.07 -0.55 8.40 8.12 3fp0A1 ASP 249 HA -0.36 0.06 0.36 -0.75 4.63 3.94 3fp0A1 ASP 249 HB2 -0.07 0.05 0.13 -0.04 2.71 2.77 3fp0A1 ASP 249 HB3 -0.10 -0.00 -0.03 -0.04 2.70 2.53 3fp0A1 ASP 250 H -0.11 0.49 -0.19 -0.55 8.40 8.04 3fp0A1 ASP 250 HA -0.09 0.05 0.43 -0.75 4.63 4.27 3fp0A1 ASP 250 HB2 -0.05 0.07 0.19 -0.04 2.71 2.88 3fp0A1 ASP 250 HB3 -0.05 -0.02 0.03 -0.04 2.70 2.62 3fp0A1 LYS 251 H -0.15 0.48 -0.08 -0.55 8.42 8.11 3fp0A1 LYS 251 HA -0.10 0.04 0.54 -0.75 4.32 4.05 3fp0A1 LYS 251 HB2 0.04 0.09 0.18 -0.04 1.87 2.14 3fp0A1 LYS 251 HB3 -0.13 0.01 0.15 -0.04 1.79 1.78 3fp0A1 LYS 251 HG2 0.09 -0.00 0.05 -0.04 1.46 1.55 3fp0A1 LYS 251 HG3 -0.22 -0.04 0.03 -0.04 1.46 1.19 3fp0A1 LYS 251 HD2 -0.41 -0.05 0.08 -0.04 1.69 1.28 3fp0A1 LYS 251 HD3 -0.26 -0.00 0.06 -0.04 1.68 1.44 3fp0A1 LYS 251 HE2 -0.94 0.15 0.10 -0.04 2.99 2.26 3fp0A1 LYS 251 HE3 -2.82 -0.07 0.03 -0.04 2.99 0.08 3fp0A1 CYS 252 H -0.38 0.60 -0.08 -0.55 8.50 8.09 3fp0A1 CYS 252 HA -0.13 0.00 0.47 -0.75 4.58 4.17 3fp0A1 CYS 252 HB2 -0.44 0.13 0.14 -0.04 2.97 2.76 3fp0A1 CYS 252 HB3 -0.32 -0.02 -0.01 -0.04 2.97 2.58 3fp0A1 THR 253 H -0.16 0.46 -0.24 -0.55 8.28 7.80 3fp0A1 THR 253 HA -0.15 0.01 0.50 -0.75 4.39 4.00 3fp0A1 THR 253 HB -0.08 0.14 0.19 -0.04 4.32 4.53 3fp0A1 THR 253 HG23 -0.08 -0.02 -0.07 -0.04 1.22 1.01 3fp0A1 GLU 254 H -0.01 0.62 -0.05 -0.55 8.60 8.62 3fp0A1 GLU 254 HA 0.02 0.01 0.53 -0.75 4.29 4.10 3fp0A1 GLU 254 HB2 0.01 0.01 0.14 -0.04 2.09 2.21 3fp0A1 GLU 254 HB3 0.14 0.14 0.20 -0.04 1.99 2.42 3fp0A1 GLU 254 HG2 0.37 -0.02 -0.17 -0.04 2.34 2.49 3fp0A1 GLU 254 HG3 0.10 -0.03 0.04 -0.04 2.34 2.41 3fp0A1 TYR 255 H 0.28 0.47 -0.25 -0.55 8.29 8.23 3fp0A1 TYR 255 HA -0.03 0.01 0.34 -0.75 4.56 4.13 3fp0A1 TYR 255 HB2 0.19 0.03 0.07 -0.04 3.06 3.32 3fp0A1 TYR 255 HB3 -0.06 0.11 0.15 -0.04 2.98 3.15 3fp0A1 TYR 255 HD2 -0.56 0.03 -0.24 -0.04 7.15 6.33 3fp0A1 TYR 255 HE2 -0.29 0.01 -0.22 -0.04 6.85 6.31 3fp0A1 THR 256 H -0.01 0.61 0.03 -0.55 8.28 8.37 3fp0A1 THR 256 HA -0.07 -0.00 0.33 -0.75 4.39 3.89 3fp0A1 THR 256 HB -0.61 -0.01 0.06 -0.04 4.32 3.72 3fp0A1 THR 256 HG23 -0.40 0.03 0.07 -0.04 1.22 0.88 3fp0A1 SER 257 H -0.10 0.59 -0.29 -0.55 8.46 8.12 3fp0A1 SER 257 HA -0.08 0.03 0.64 -0.75 4.49 4.32 3fp0A1 SER 257 HB2 -0.05 0.13 0.18 -0.04 3.95 4.16 3fp0A1 SER 257 HB3 -0.05 -0.06 -0.02 -0.04 3.93 3.76 3fp0A1 ALA 258 H -0.16 0.58 -0.07 -0.55 8.40 8.21 3fp0A1 ALA 258 HA -0.16 0.00 0.46 -0.75 4.34 3.88 3fp0A1 ALA 258 HB3 -0.29 0.01 0.05 -0.04 1.41 1.14 3fp0A1 LEU 259 H -0.37 0.51 -0.19 -0.55 8.37 7.78 3fp0A1 LEU 259 HA -0.48 0.02 0.46 -0.75 4.35 3.60 3fp0A1 LEU 259 HB2 -0.37 0.07 0.08 -0.04 1.64 1.38 3fp0A1 LEU 259 HB3 -0.16 0.13 0.16 -0.04 1.64 1.74 3fp0A1 LEU 259 HG -0.15 0.04 -0.07 -0.04 1.64 1.42 3fp0A1 LEU 259 HD13 -0.20 -0.02 -0.02 -0.04 0.93 0.65 3fp0A1 LEU 259 HD23 0.23 -0.02 -0.04 -0.04 0.89 1.02 3fp0A1 VAL 260 H -0.15 0.48 -0.10 -0.55 8.24 7.93 3fp0A1 VAL 260 HA 0.01 0.06 0.42 -0.75 4.13 3.86 3fp0A1 VAL 260 HB -0.03 0.06 0.16 -0.04 2.12 2.27 3fp0A1 VAL 260 HG13 0.09 -0.01 -0.02 -0.04 0.97 0.98 3fp0A1 VAL 260 HG23 -0.10 0.04 0.07 -0.04 0.95 0.92 3fp0A1 ALA 261 H -0.10 0.55 -0.13 -0.55 8.40 8.17 3fp0A1 ALA 261 HA -0.03 0.00 0.47 -0.75 4.34 4.03 3fp0A1 ALA 261 HB3 -0.08 -0.01 0.09 -0.04 1.41 1.36 3fp0A1 ASN 262 H -0.21 0.72 -0.10 -0.55 8.53 8.40 3fp0A1 ASN 262 HA -0.11 0.03 0.66 -0.75 4.76 4.59 3fp0A1 ASN 262 HB2 -0.26 -0.02 0.12 -0.04 2.88 2.67 3fp0A1 ASN 262 HB3 -0.37 0.06 0.22 -0.04 2.79 2.66 3fp0A1 ASN 262 HD21 -0.04 -0.01 -0.05 -0.04 7.03 6.89 3fp0A1 ASN 262 HD22 -0.44 0.00 -0.06 -0.04 7.74 7.21 3fp0A1 TYR 263 H -0.17 0.47 -0.11 -0.55 8.29 7.92 3fp0A1 TYR 263 HA -0.40 -0.03 0.41 -0.75 4.56 3.79 3fp0A1 TYR 263 HB2 -0.18 0.04 0.19 -0.04 3.06 3.07 3fp0A1 TYR 263 HB3 -0.26 0.20 0.08 -0.04 2.98 2.96 3fp0A1 TYR 263 HD2 -1.17 -0.02 -0.11 -0.04 7.15 5.81 3fp0A1 TYR 263 HE2 -0.27 -0.08 -0.06 -0.04 6.85 6.40 3fp0A1 LYS 264 H 0.05 0.25 -0.38 -0.55 8.42 7.79 3fp0A1 LYS 264 HA 0.11 0.14 0.77 -0.75 4.32 4.57 3fp0A1 LYS 264 HB2 0.04 0.04 0.12 -0.04 1.87 2.03 3fp0A1 LYS 264 HB3 0.05 -0.12 0.16 -0.04 1.79 1.84 3fp0A1 LYS 264 HG2 0.07 -0.03 0.01 -0.04 1.46 1.47 3fp0A1 LYS 264 HG3 0.08 0.08 -0.03 -0.04 1.46 1.55 3fp0A1 LYS 264 HD2 0.05 0.00 -0.06 -0.04 1.69 1.64 3fp0A1 LYS 264 HD3 0.04 -0.08 0.00 -0.04 1.68 1.60 3fp0A1 LYS 264 HE2 0.06 0.01 -0.01 -0.04 2.99 3.01 3fp0A1 LYS 264 HE3 0.11 0.01 -0.01 -0.04 2.99 3.06 3fp0A1 SER 265 H 0.10 0.33 -0.34 -0.55 8.46 8.01 3fp0A1 SER 265 HA 0.05 0.00 0.51 -0.75 4.49 4.30 3fp0A1 SER 265 HB2 0.01 -0.20 0.21 -0.04 3.95 3.93 3fp0A1 SER 265 HB3 -0.01 0.30 0.24 -0.04 3.93 4.42 3fp0A1 ARG 266 H 0.06 0.01 0.18 -0.55 8.46 8.15 3fp0A1 ARG 266 HA 0.08 0.06 0.41 -0.75 4.34 4.14 3fp0A1 GLY 267 H 0.10 0.20 0.04 -0.55 8.43 8.22 3fp0A1 GLY 267 HA2 0.12 0.04 0.22 -0.51 4.01 3.89 3fp0A1 GLY 267 HA3 0.12 0.06 0.05 -0.51 4.01 3.73 3fp0A1 MET 268 H 0.09 0.48 0.14 -0.55 8.47 8.64 3fp0A1 MET 268 HA 0.13 0.03 0.68 -0.75 4.52 4.60 3fp0A1 MET 268 HB2 -0.11 -0.05 0.19 -0.04 2.15 2.13 3fp0A1 MET 268 HB3 0.13 0.07 0.17 -0.04 2.03 2.36 3fp0A1 MET 268 HG2 0.17 0.04 -0.02 -0.04 2.63 2.79 3fp0A1 MET 268 HG3 -0.00 0.00 0.12 -0.04 2.56 2.64 3fp0A1 MET 268 HE3 -0.50 0.01 0.02 -0.04 2.10 1.59 3fp0A1 LYS 269 H 0.16 0.07 0.22 -0.55 8.42 8.31 3fp0A1 LYS 269 HA 0.01 0.22 0.71 -0.75 4.32 4.51 3fp0A1 LYS 269 HB2 0.08 -0.10 0.14 -0.04 1.87 1.94 3fp0A1 LYS 269 HB3 -0.03 0.07 0.05 -0.04 1.79 1.85 3fp0A1 LYS 269 HG2 0.01 0.05 0.06 -0.04 1.46 1.54 3fp0A1 LYS 269 HG3 0.06 -0.04 0.12 -0.04 1.46 1.56 3fp0A1 LYS 269 HD2 0.00 -0.05 0.03 -0.04 1.69 1.62 3fp0A1 LYS 269 HD3 -0.04 0.06 0.04 -0.04 1.68 1.70 3fp0A1 LYS 269 HE2 -0.00 -0.04 0.03 -0.04 2.99 2.94 3fp0A1 LYS 269 HE3 -0.02 -0.02 0.02 -0.04 2.99 2.93 3fp0A1 PHE 270 H -0.34 0.64 0.35 -0.55 8.34 8.44 3fp0A1 PHE 270 HA -0.40 0.15 0.73 -0.75 4.62 4.35 3fp0A1 PHE 270 HB2 -0.66 -0.00 0.09 -0.04 3.15 2.53 3fp0A1 PHE 270 HB3 -0.41 0.01 -0.13 -0.04 3.06 2.49 3fp0A1 PHE 270 HD2 -0.04 0.13 -0.43 -0.04 7.28 6.91 3fp0A1 PHE 270 HE2 0.08 0.04 -0.47 -0.04 7.38 6.99 3fp0A1 PHE 270 HZ 0.13 0.16 -0.45 -0.04 7.32 7.12 3fp0A1 GLN 271 H -0.07 0.53 0.28 -0.55 8.47 8.66 3fp0A1 GLN 271 HA -0.08 0.09 0.81 -0.75 4.36 4.42 3fp0A1 GLN 271 HB2 -0.01 0.18 0.13 -0.04 2.15 2.41 3fp0A1 GLN 271 HB3 -0.01 0.00 0.08 -0.04 2.02 2.05 3fp0A1 GLN 271 HG2 -0.04 -0.00 -0.06 -0.04 2.40 2.25 3fp0A1 GLN 271 HG3 -0.05 -0.00 -0.04 -0.04 2.39 2.25 3fp0A1 GLN 271 HE21 -0.00 -0.08 -0.03 -0.04 6.97 6.83 3fp0A1 GLN 271 HE22 -0.01 0.03 -0.00 -0.04 7.69 7.67 3fp0A1 PRO 272 HA 0.27 0.10 0.35 -0.51 4.44 4.65 3fp0A1 PRO 272 HB2 0.06 0.00 0.02 -0.04 2.28 2.31 3fp0A1 PRO 272 HB3 0.06 0.02 0.10 -0.04 2.02 2.16 3fp0A1 PRO 272 HG2 0.01 0.00 0.04 -0.04 2.03 2.04 3fp0A1 PRO 272 HG3 -0.02 0.01 0.09 -0.04 2.03 2.07 3fp0A1 PRO 272 HD2 -0.02 0.05 0.23 -0.04 3.68 3.90 3fp0A1 PRO 272 HD3 -0.09 0.17 0.26 -0.04 3.65 3.95 3fp0A1 GLY 273 H 0.09 0.17 0.14 -0.55 8.43 8.29 3fp0A1 GLY 273 HA2 0.02 -0.00 0.30 -0.51 4.01 3.82 3fp0A1 GLY 273 HA3 0.03 0.20 0.77 -0.51 4.01 4.50 3fp0A1 LEU 274 H 0.00 0.29 0.09 -0.55 8.37 8.21 3fp0A1 LEU 274 HA -0.01 0.09 0.67 -0.75 4.35 4.36 3fp0A1 LEU 274 HB2 -0.00 0.06 -0.15 -0.04 1.64 1.50 3fp0A1 LEU 274 HB3 -0.01 -0.04 0.07 -0.04 1.64 1.63 3fp0A1 LEU 274 HG -0.03 0.05 -0.12 -0.04 1.64 1.50 3fp0A1 LEU 274 HD13 -0.03 -0.02 0.10 -0.04 0.93 0.94 3fp0A1 LEU 274 HD23 -0.02 -0.00 -0.00 -0.04 0.89 0.82 3fp0A1 ALA 275 H -0.02 0.06 -0.10 -0.55 8.40 7.80 3fp0A1 ALA 275 HA -0.04 0.23 0.64 -0.75 4.34 4.41 3fp0A1 ALA 275 HB3 -0.02 -0.01 -0.01 -0.04 1.41 1.33 3fp0A1 LEU 276 H -0.07 0.05 0.13 -0.55 8.37 7.93 3fp0A1 LEU 276 HA -0.12 0.35 0.68 -0.75 4.35 4.51 3fp0A1 LEU 276 HB2 -0.15 -0.12 0.08 -0.04 1.64 1.41 3fp0A1 LEU 276 HB3 -0.23 0.16 -0.00 -0.04 1.64 1.52 3fp0A1 LEU 276 HG -0.10 -0.11 -0.11 -0.04 1.64 1.28 3fp0A1 LEU 276 HD13 -0.13 -0.01 0.01 -0.04 0.93 0.76 3fp0A1 LEU 276 HD23 -0.15 0.03 -0.11 -0.04 0.89 0.61 3fp0A1 PRO 277 HA -0.09 0.24 0.83 -0.51 4.44 4.91 3fp0A1 PRO 277 HB2 0.22 -0.01 0.08 -0.04 2.28 2.53 3fp0A1 PRO 277 HB3 0.06 0.00 0.14 -0.04 2.02 2.18 3fp0A1 PRO 277 HG2 -0.32 -0.03 0.13 -0.04 2.03 1.77 3fp0A1 PRO 277 HG3 -0.04 0.11 0.08 -0.04 2.03 2.14 3fp0A1 PRO 277 HD2 -0.19 0.07 0.24 -0.04 3.68 3.77 3fp0A1 PRO 277 HD3 -0.09 0.26 0.23 -0.04 3.65 4.01 3fp0A1 ARG 278 H -0.20 0.63 0.53 -0.55 8.46 8.86 3fp0A1 ARG 278 HA -0.12 0.14 0.85 -0.75 4.34 4.46 3fp0A1 ARG 278 HB2 -1.44 0.04 -0.07 -0.04 1.90 0.39 3fp0A1 ARG 278 HB3 -0.23 -0.10 0.04 -0.04 1.80 1.47 3fp0A1 ARG 278 HG2 -0.34 0.11 -0.40 -0.04 1.67 0.99 3fp0A1 ARG 278 HG3 -0.24 -0.07 -0.09 -0.04 1.67 1.23 3fp0A1 ARG 278 HD2 -0.14 -0.08 0.02 -0.04 3.22 2.98 3fp0A1 ARG 278 HD3 -0.33 0.27 0.05 -0.04 3.22 3.16 3fp0A1 CYS 279 H 0.25 0.24 0.18 -0.55 8.50 8.63 3fp0A1 CYS 279 HA 0.23 0.42 0.99 -0.75 4.58 5.46 3fp0A1 CYS 279 HB2 0.07 0.09 -0.24 -0.04 2.97 2.86 3fp0A1 CYS 279 HB3 0.16 -0.07 -0.03 -0.04 2.97 2.99 3fp0A1 VAL 280 H 0.22 0.58 0.34 -0.55 8.24 8.82 3fp0A1 VAL 280 HA 0.14 0.00 0.79 -0.75 4.13 4.30 3fp0A1 VAL 280 HB 0.10 0.00 0.04 -0.04 2.12 2.22 3fp0A1 VAL 280 HG13 0.08 0.00 -0.05 -0.04 0.97 0.96 3fp0A1 VAL 280 HG23 0.18 -0.00 -0.10 -0.04 0.95 0.98 3fp0A1 ILE 281 H 0.08 0.27 0.17 -0.55 8.25 8.22 3fp0A1 ILE 281 HA 0.09 0.28 1.05 -0.75 4.18 4.84 3fp0A1 ILE 281 HB 0.05 -0.03 0.02 -0.04 1.89 1.89 3fp0A1 ILE 281 HG12 0.04 0.07 -0.19 -0.04 1.49 1.36 3fp0A1 ILE 281 HG13 0.06 -0.12 -0.49 -0.04 1.21 0.62 3fp0A1 ILE 281 HG23 0.05 -0.01 -0.20 -0.04 0.93 0.73 3fp0A1 ILE 281 HD13 0.02 0.00 -0.13 -0.04 0.88 0.73 3fp0A1 HIS 282 H 0.14 0.93 0.34 -0.55 8.41 9.28 3fp0A1 HIS 282 HA 0.03 0.13 0.75 -0.75 4.63 4.79 3fp0A1 HIS 282 HB2 0.02 0.02 -0.08 -0.04 3.26 3.18 3fp0A1 HIS 282 HB3 0.02 -0.02 0.13 -0.04 3.20 3.29 3fp0A1 HIS 282 HD2 0.03 -0.11 -0.50 -0.04 6.97 6.35 3fp0A1 HIS 282 HE1 -0.00 0.01 -0.03 -0.04 7.75 7.68 3fp0A1 LYS 283 H -0.17 0.21 0.02 -0.55 8.42 7.93 3fp0A1 LYS 283 HA 0.08 0.14 0.85 -0.75 4.32 4.63 3fp0A1 LYS 283 HB2 -0.04 -0.03 0.15 -0.04 1.87 1.91 3fp0A1 LYS 283 HB3 0.03 0.09 0.02 -0.04 1.79 1.90 3fp0A1 LYS 283 HG2 0.06 0.03 -0.07 -0.04 1.46 1.43 3fp0A1 LYS 283 HG3 0.02 -0.06 -0.11 -0.04 1.46 1.26 3fp0A1 LYS 283 HD2 0.03 -0.02 -0.05 -0.04 1.69 1.61 3fp0A1 LYS 283 HD3 0.06 0.04 -0.03 -0.04 1.68 1.71 3fp0A1 LYS 283 HE2 0.04 -0.04 -0.11 -0.04 2.99 2.84 3fp0A1 LYS 283 HE3 0.06 -0.04 -0.10 -0.04 2.99 2.87 3fp0A1 LEU 284 H 0.17 0.42 0.24 -0.55 8.37 8.66 3fp0A1 LEU 284 HA 0.17 0.03 0.69 -0.75 4.35 4.49 3fp0A1 LEU 284 HB2 0.10 0.08 0.17 -0.04 1.64 1.95 3fp0A1 LEU 284 HB3 0.10 -0.09 0.08 -0.04 1.64 1.69 3fp0A1 LEU 284 HG 0.20 0.03 0.01 -0.04 1.64 1.84 3fp0A1 LEU 284 HD13 0.06 -0.01 -0.05 -0.04 0.93 0.88 3fp0A1 LEU 284 HD23 0.08 0.00 -0.01 -0.04 0.89 0.92 3fp0A1 SER 285 H 0.07 0.08 0.18 -0.55 8.46 8.24 3fp0A1 SER 285 HA 0.03 0.21 0.62 -0.75 4.49 4.60 3fp0A1 SER 285 HB2 0.02 -0.03 0.20 -0.04 3.95 4.10 3fp0A1 SER 285 HB3 0.02 0.15 0.17 -0.04 3.93 4.24 3fp0A1 ALA 286 H 0.02 0.22 0.19 -0.55 8.40 8.28 3fp0A1 ALA 286 HA 0.02 0.30 0.52 -0.75 4.34 4.42 3fp0A1 ALA 286 HB3 -0.01 0.04 0.09 -0.04 1.41 1.49 3fp0A1 ASP 287 H 0.01 0.08 -0.11 -0.55 8.40 7.84 3fp0A1 ASP 287 HA 0.01 0.11 0.38 -0.75 4.63 4.38 3fp0A1 ASP 287 HB2 0.02 -0.06 0.11 -0.04 2.71 2.73 3fp0A1 ASP 287 HB3 0.01 0.08 -0.01 -0.04 2.70 2.74 3fp0A1 GLU 288 H 0.03 0.02 -0.14 -0.55 8.60 7.97 3fp0A1 GLU 288 HA 0.03 0.11 0.46 -0.75 4.29 4.14 3fp0A1 GLU 288 HB2 0.06 0.01 0.13 -0.04 2.09 2.25 3fp0A1 GLU 288 HB3 0.05 0.07 0.02 -0.04 1.99 2.09 3fp0A1 GLU 288 HG2 0.04 0.10 0.07 -0.04 2.34 2.50 3fp0A1 GLU 288 HG3 0.04 -0.09 0.11 -0.04 2.34 2.36 3fp0A1 SER 289 H 0.04 0.59 -0.19 -0.55 8.46 8.36 3fp0A1 SER 289 HA 0.05 0.01 0.42 -0.75 4.49 4.21 3fp0A1 SER 289 HB2 0.04 0.41 0.27 -0.04 3.95 4.62 3fp0A1 SER 289 HB3 0.05 -0.10 0.08 -0.04 3.93 3.92 3fp0A1 ILE 290 H 0.03 0.61 -0.08 -0.55 8.25 8.25 3fp0A1 ILE 290 HA 0.03 -0.01 0.45 -0.75 4.18 3.89 3fp0A1 ILE 290 HB 0.02 0.11 0.20 -0.04 1.89 2.18 3fp0A1 ILE 290 HG12 0.01 -0.08 0.07 -0.04 1.49 1.45 3fp0A1 ILE 290 HG13 0.01 0.15 0.15 -0.04 1.21 1.48 3fp0A1 ILE 290 HG23 0.01 -0.02 -0.07 -0.04 0.93 0.81 3fp0A1 ILE 290 HD13 -0.00 -0.03 -0.04 -0.04 0.88 0.76 3fp0A1 ASP 291 H 0.03 0.47 -0.18 -0.55 8.40 8.17 3fp0A1 ASP 291 HA 0.02 0.00 0.41 -0.75 4.63 4.31 3fp0A1 ASP 291 HB2 0.03 0.14 0.22 -0.04 2.71 3.06 3fp0A1 ASP 291 HB3 0.03 -0.02 0.01 -0.04 2.70 2.68 3fp0A1 ILE 292 H 0.05 0.46 -0.18 -0.55 8.25 8.04 3fp0A1 ILE 292 HA 0.12 0.08 0.49 -0.75 4.18 4.11 3fp0A1 ILE 292 HB 0.06 0.03 0.15 -0.04 1.89 2.09 3fp0A1 ILE 292 HG12 0.10 0.17 -0.05 -0.04 1.49 1.66 3fp0A1 ILE 292 HG13 0.07 0.08 0.06 -0.04 1.21 1.38 3fp0A1 ILE 292 HG23 0.08 -0.02 -0.13 -0.04 0.93 0.82 3fp0A1 ILE 292 HD13 0.05 -0.04 -0.15 -0.04 0.88 0.69 3fp0A1 VAL 293 H 0.06 0.67 0.00 -0.55 8.24 8.42 3fp0A1 VAL 293 HA 0.07 -0.06 0.45 -0.75 4.13 3.84 3fp0A1 VAL 293 HB 0.04 0.15 0.19 -0.04 2.12 2.46 3fp0A1 VAL 293 HG13 0.04 -0.02 -0.06 -0.04 0.97 0.89 3fp0A1 VAL 293 HG23 0.04 0.02 0.06 -0.04 0.95 1.04 3fp0A1 LYS 294 H 0.04 0.65 -0.15 -0.55 8.42 8.40 3fp0A1 LYS 294 HA 0.03 0.00 0.44 -0.75 4.32 4.04 3fp0A1 LYS 294 HB2 0.02 0.00 0.13 -0.04 1.87 1.98 3fp0A1 LYS 294 HB3 0.02 0.00 0.19 -0.04 1.79 1.96 3fp0A1 LYS 294 HG2 0.01 0.00 -0.14 -0.04 1.46 1.29 3fp0A1 LYS 294 HG3 0.01 0.00 0.04 -0.04 1.46 1.47 3fp0A1 LYS 294 HD2 0.00 -0.02 -0.01 -0.04 1.69 1.63 3fp0A1 LYS 294 HD3 0.01 -0.01 -0.00 -0.04 1.68 1.64 3fp0A1 LYS 294 HE2 0.01 0.08 0.06 -0.04 2.99 3.09 3fp0A1 LYS 294 HE3 -0.01 -0.02 -0.02 -0.04 2.99 2.90 3fp0A1 ALA 295 H 0.06 0.60 -0.10 -0.55 8.40 8.41 3fp0A1 ALA 295 HA -0.03 -0.02 0.43 -0.75 4.34 3.96 3fp0A1 ALA 295 HB3 -0.00 0.04 0.09 -0.04 1.41 1.50 3fp0A1 VAL 296 H 0.17 0.60 -0.18 -0.55 8.24 8.28 3fp0A1 VAL 296 HA 0.35 0.03 0.45 -0.75 4.13 4.21 3fp0A1 VAL 296 HB 0.13 0.06 0.05 -0.04 2.12 2.32 3fp0A1 VAL 296 HG13 0.18 -0.04 -0.42 -0.04 0.97 0.65 3fp0A1 VAL 296 HG23 0.11 0.00 -0.13 -0.04 0.95 0.89 3fp0A1 LYS 297 H 0.08 0.47 -0.14 -0.55 8.42 8.28 3fp0A1 LYS 297 HA 0.09 0.03 0.41 -0.75 4.32 4.09 3fp0A1 LYS 297 HB2 0.06 0.00 0.13 -0.04 1.87 2.01 3fp0A1 LYS 297 HB3 0.04 0.09 0.20 -0.04 1.79 2.08 3fp0A1 LYS 297 HG2 0.03 0.03 -0.15 -0.04 1.46 1.33 3fp0A1 LYS 297 HG3 0.05 -0.03 -0.00 -0.04 1.46 1.43 3fp0A1 LYS 297 HD2 0.03 -0.03 -0.01 -0.04 1.69 1.63 3fp0A1 LYS 297 HD3 0.02 -0.01 -0.01 -0.04 1.68 1.64 3fp0A1 LYS 297 HE2 0.03 0.02 -0.03 -0.04 2.99 2.97 3fp0A1 LYS 297 HE3 0.02 -0.03 -0.02 -0.04 2.99 2.93 3fp0A1 THR 298 H 0.02 0.55 -0.05 -0.55 8.28 8.25 3fp0A1 THR 298 HA -0.00 0.03 0.39 -0.75 4.39 4.06 3fp0A1 THR 298 HB -0.04 0.03 0.15 -0.04 4.32 4.42 3fp0A1 THR 298 HG23 -0.04 -0.01 -0.08 -0.04 1.22 1.05 3fp0A1 ARG 299 H -0.04 0.56 -0.00 -0.55 8.46 8.42 3fp0A1 ARG 299 HA -0.09 0.02 0.36 -0.75 4.34 3.88 3fp0A1 ARG 299 HB2 -0.10 0.07 0.10 -0.04 1.90 1.93 3fp0A1 ARG 299 HB3 -0.18 -0.07 0.00 -0.04 1.80 1.51 3fp0A1 ARG 299 HG2 -0.24 -0.08 0.02 -0.04 1.67 1.33 3fp0A1 ARG 299 HG3 -0.28 0.06 0.13 -0.04 1.67 1.54 3fp0A1 ARG 299 HD2 -1.87 -0.02 -0.03 -0.04 3.22 1.25 3fp0A1 ARG 299 HD3 -0.64 -0.08 -0.01 -0.04 3.22 2.44 3fp0A1 LEU 300 H -0.01 0.35 -0.15 -0.55 8.37 8.01 3fp0A1 LEU 300 HA -0.22 0.14 0.88 -0.75 4.35 4.39 3fp0A1 LEU 300 HB2 -0.17 0.12 0.08 -0.04 1.64 1.62 3fp0A1 LEU 300 HB3 -1.42 -0.05 -0.07 -0.04 1.64 0.06 3fp0A1 LEU 300 HG 0.03 -0.06 -0.24 -0.04 1.64 1.34 3fp0A1 LEU 300 HD13 -0.18 -0.04 -0.07 -0.04 0.93 0.60 3fp0A1 LEU 300 HD23 -0.40 0.01 -0.05 -0.04 0.89 0.41 3fp0A1 GLY 301 H 0.07 0.31 0.18 -0.55 8.43 8.44 3fp0A1 GLY 301 HA2 0.08 0.25 0.42 -0.51 4.01 4.25 3fp0A1 GLY 301 HA3 0.10 0.12 0.46 -0.51 4.01 4.18 3fp0A1 PRO 302 HA 0.09 -0.05 0.48 -0.51 4.44 4.45 3fp0A1 PRO 302 HB2 0.06 0.05 0.08 -0.04 2.28 2.43 3fp0A1 PRO 302 HB3 0.04 -0.01 0.10 -0.04 2.02 2.11 3fp0A1 PRO 302 HG2 0.05 0.04 0.10 -0.04 2.03 2.18 3fp0A1 PRO 302 HG3 0.05 0.00 0.10 -0.04 2.03 2.15 3fp0A1 PRO 302 HD2 0.10 0.17 0.23 -0.04 3.68 4.14 3fp0A1 PRO 302 HD3 0.07 0.14 0.24 -0.04 3.65 4.06 3fp0A1 GLY 303 H 0.07 0.11 0.19 -0.55 8.43 8.25 3fp0A1 GLY 303 HA2 0.00 -0.05 0.33 -0.51 4.01 3.78 3fp0A1 GLY 303 HA3 -0.07 0.14 0.40 -0.51 4.01 3.97 3fp0A1 PHE 304 H 0.27 0.42 -0.47 -0.55 8.34 7.99 3fp0A1 PHE 304 HA 0.39 0.08 0.85 -0.75 4.62 5.19 3fp0A1 PHE 304 HB2 0.10 0.24 -0.11 -0.04 3.15 3.34 3fp0A1 PHE 304 HB3 0.16 -0.10 -0.08 -0.04 3.06 3.00 3fp0A1 PHE 304 HD2 0.00 0.03 -0.26 -0.04 7.28 7.01 3fp0A1 PHE 304 HE2 -0.05 0.07 -0.24 -0.04 7.38 7.12 3fp0A1 PHE 304 HZ -0.02 -0.03 -0.04 -0.04 7.32 7.19 3fp0A1 THR 305 H 0.54 0.16 0.19 -0.55 8.28 8.61 3fp0A1 THR 305 HA 0.09 0.30 0.90 -0.75 4.39 4.92 3fp0A1 THR 305 HB -0.05 -0.06 0.12 -0.04 4.32 4.29 3fp0A1 THR 305 HG23 -0.07 0.08 -0.27 -0.04 1.22 0.92 3fp0A1 ILE 306 H 0.03 0.22 0.13 -0.55 8.25 8.09 3fp0A1 ILE 306 HA 0.02 0.15 0.51 -0.75 4.18 4.10 3fp0A1 ILE 306 HB 0.04 0.07 0.06 -0.04 1.89 2.02 3fp0A1 ILE 306 HG12 0.04 -0.01 -0.14 -0.04 1.49 1.33 3fp0A1 ILE 306 HG13 0.02 0.04 0.03 -0.04 1.21 1.25 3fp0A1 ILE 306 HG23 0.04 0.01 -0.03 -0.04 0.93 0.90 3fp0A1 ILE 306 HD13 0.05 0.01 -0.03 -0.04 0.88 0.87 3fp0A1 SER 307 H -0.03 0.08 -0.22 -0.55 8.46 7.74 3fp0A1 SER 307 HA 0.16 0.10 0.51 -0.75 4.49 4.51 3fp0A1 SER 307 HB2 -0.14 -0.01 0.00 -0.04 3.95 3.76 3fp0A1 SER 307 HB3 0.17 0.10 -0.10 -0.04 3.93 4.06 3fp0A1 HIS 308 H -0.24 0.08 -0.17 -0.55 8.41 7.53 3fp0A1 HIS 308 HA 0.08 0.10 0.52 -0.75 4.63 4.57 3fp0A1 HIS 308 HB2 0.13 0.12 0.18 -0.04 3.26 3.66 3fp0A1 HIS 308 HB3 0.15 0.08 0.06 -0.04 3.20 3.45 3fp0A1 HIS 308 HD2 0.13 0.01 -0.04 -0.04 6.97 7.03 3fp0A1 HIS 308 HE1 -0.14 0.50 0.22 -0.04 7.75 8.29 3fp0A1 LEU 309 H 0.02 0.34 -0.13 -0.55 8.37 8.06 3fp0A1 LEU 309 HA -0.22 0.08 0.35 -0.75 4.35 3.82 3fp0A1 LEU 309 HB2 -0.19 0.02 0.06 -0.04 1.64 1.49 3fp0A1 LEU 309 HB3 -0.10 0.06 0.07 -0.04 1.64 1.63 3fp0A1 LEU 309 HG -0.23 -0.04 -0.19 -0.04 1.64 1.14 3fp0A1 LEU 309 HD13 -1.06 0.02 -0.03 -0.04 0.93 -0.18 3fp0A1 LEU 309 HD23 -0.08 0.02 -0.02 -0.04 0.89 0.78 3fp0A1 THR 310 H -0.12 0.48 -0.21 -0.55 8.28 7.88 3fp0A1 THR 310 HA -0.17 0.04 0.46 -0.75 4.39 3.97 3fp0A1 THR 310 HB -0.35 0.05 0.10 -0.04 4.32 4.07 3fp0A1 THR 310 HG23 -0.14 -0.01 -0.13 -0.04 1.22 0.90 3fp0A1 GLN 311 H -0.47 0.53 -0.14 -0.55 8.47 7.84 3fp0A1 GLN 311 HA -0.48 0.02 0.45 -0.75 4.36 3.59 3fp0A1 GLN 311 HB2 -0.27 -0.03 0.09 -0.04 2.15 1.90 3fp0A1 GLN 311 HB3 -0.04 0.11 0.14 -0.04 2.02 2.19 3fp0A1 GLN 311 HG2 0.16 -0.02 -0.05 -0.04 2.40 2.45 3fp0A1 GLN 311 HG3 -0.03 0.02 -0.23 -0.04 2.39 2.11 3fp0A1 GLN 311 HE21 0.23 0.06 -0.05 -0.04 6.97 7.18 3fp0A1 GLN 311 HE22 -0.08 -0.07 0.09 -0.04 7.69 7.59 3fp0A1 ALA 312 H -0.17 0.51 -0.25 -0.55 8.40 7.94 3fp0A1 ALA 312 HA -0.19 0.03 0.37 -0.75 4.34 3.79 3fp0A1 ALA 312 HB3 -0.17 0.03 0.08 -0.04 1.41 1.30 3fp0A1 ALA 313 H -0.19 0.62 -0.04 -0.55 8.40 8.24 3fp0A1 ALA 313 HA -0.20 0.00 0.47 -0.75 4.34 3.87 3fp0A1 ALA 313 HB3 -0.05 0.03 0.11 -0.04 1.41 1.46 3fp0A1 ILE 314 H -0.19 0.67 -0.19 -0.55 8.25 7.99 3fp0A1 ILE 314 HA -0.12 -0.05 0.45 -0.75 4.18 3.71 3fp0A1 ILE 314 HB -0.14 0.17 0.14 -0.04 1.89 2.02 3fp0A1 ILE 314 HG12 -0.03 -0.06 -0.03 -0.04 1.49 1.33 3fp0A1 ILE 314 HG13 -0.16 0.09 0.02 -0.04 1.21 1.12 3fp0A1 ILE 314 HG23 0.13 -0.01 -0.19 -0.04 0.93 0.82 3fp0A1 ILE 314 HD13 -0.07 -0.04 -0.14 -0.04 0.88 0.60 3fp0A1 VAL 315 H -0.24 0.44 -0.27 -0.55 8.24 7.62 3fp0A1 VAL 315 HA -0.32 0.02 0.40 -0.75 4.13 3.47 3fp0A1 VAL 315 HB -0.35 0.11 0.17 -0.04 2.12 2.02 3fp0A1 VAL 315 HG13 -0.37 -0.01 -0.11 -0.04 0.97 0.44 3fp0A1 VAL 315 HG23 -1.12 0.04 -0.02 -0.04 0.95 -0.18 3fp0A1 LEU 316 H -0.27 0.65 0.05 -0.55 8.37 8.25 3fp0A1 LEU 316 HA -0.25 0.04 0.43 -0.75 4.35 3.82 3fp0A1 LEU 316 HB2 -0.68 0.02 0.12 -0.04 1.64 1.06 3fp0A1 LEU 316 HB3 -1.50 -0.02 -0.04 -0.04 1.64 0.04 3fp0A1 LEU 316 HG -0.43 0.07 0.11 -0.04 1.64 1.35 3fp0A1 LEU 316 HD13 -0.26 0.00 -0.07 -0.04 0.93 0.57 3fp0A1 LEU 316 HD23 -0.56 -0.04 -0.08 -0.04 0.89 0.17 3fp0A1 ALA 317 H -0.01 0.68 -0.18 -0.55 8.40 8.35 3fp0A1 ALA 317 HA 0.43 -0.01 0.46 -0.75 4.34 4.46 3fp0A1 ALA 317 HB3 0.06 0.00 0.02 -0.04 1.41 1.45 3fp0A1 LEU 318 H 0.20 0.58 -0.11 -0.55 8.37 8.49 3fp0A1 LEU 318 HA 0.23 -0.03 0.50 -0.75 4.35 4.29 3fp0A1 LEU 318 HB2 0.20 0.01 0.14 -0.04 1.64 1.94 3fp0A1 LEU 318 HB3 0.07 0.15 0.19 -0.04 1.64 2.01 3fp0A1 LEU 318 HG 0.13 0.01 -0.24 -0.04 1.64 1.50 3fp0A1 LEU 318 HD13 0.06 -0.03 -0.03 -0.04 0.93 0.88 3fp0A1 LEU 318 HD23 0.21 0.00 -0.03 -0.04 0.89 1.04 3fp0A1 LEU 319 H 0.03 0.62 -0.03 -0.55 8.37 8.44 3fp0A1 LEU 319 HA 0.06 0.02 0.38 -0.75 4.35 4.05 3fp0A1 LEU 319 HB2 -0.04 0.05 0.09 -0.04 1.64 1.70 3fp0A1 LEU 319 HB3 -0.00 -0.03 -0.03 -0.04 1.64 1.54 3fp0A1 LEU 319 HG -0.05 0.14 -0.00 -0.04 1.64 1.69 3fp0A1 LEU 319 HD13 -0.08 -0.01 -0.17 -0.04 0.93 0.62 3fp0A1 LEU 319 HD23 0.02 -0.02 -0.11 -0.04 0.89 0.74 3fp0A1 ASP 320 H 0.11 0.49 -0.20 -0.55 8.40 8.25 3fp0A1 ASP 320 HA 0.08 0.02 0.46 -0.75 4.63 4.43 3fp0A1 ASP 320 HB2 0.17 0.12 0.15 -0.04 2.71 3.11 3fp0A1 ASP 320 HB3 0.26 0.04 0.18 -0.04 2.70 3.14 3fp0A1 HIS 321 H 0.26 0.37 -0.24 -0.55 8.41 8.25 3fp0A1 HIS 321 HA 0.09 -0.08 0.45 -0.75 4.63 4.34 3fp0A1 HIS 321 HB2 0.16 -0.07 0.12 -0.04 3.26 3.43 3fp0A1 HIS 321 HB3 0.09 0.15 0.25 -0.04 3.20 3.65 3fp0A1 HIS 321 HD2 0.01 0.05 -0.06 -0.04 6.97 6.93 3fp0A1 HIS 321 HE1 0.03 -0.07 0.02 -0.04 7.75 7.68 3fp0A1 LEU 322 H 0.12 0.48 -0.04 -0.55 8.37 8.37 3fp0A1 LEU 322 HA -0.11 -0.06 0.54 -0.75 4.35 3.97 3fp0A1 LEU 322 HB2 0.05 0.10 0.05 -0.04 1.64 1.79 3fp0A1 LEU 322 HB3 0.02 -0.05 0.13 -0.04 1.64 1.71 3fp0A1 LEU 322 HG 0.14 0.29 0.07 -0.04 1.64 2.11 3fp0A1 LEU 322 HD13 0.09 -0.03 -0.07 -0.04 0.93 0.88 3fp0A1 LEU 322 HD23 0.12 -0.02 -0.01 -0.04 0.89 0.94 3fp0A1 LYS 323 H -0.03 0.04 0.11 -0.55 8.42 7.98 3fp0A1 LEU 327 HA 0.03 -0.12 0.26 -0.75 4.35 3.76 3fp0A1 LEU 327 HB2 0.03 0.01 -0.07 -0.04 1.64 1.57 3fp0A1 LEU 327 HB3 0.04 -0.04 -0.02 -0.04 1.64 1.58 3fp0A1 LEU 327 HG 0.05 0.03 -0.00 -0.04 1.64 1.68 3fp0A1 LEU 327 HD13 0.07 -0.00 -0.12 -0.04 0.93 0.84 3fp0A1 LEU 327 HD23 0.07 -0.01 -0.01 -0.04 0.89 0.90 3fp0A1 SER 328 H 0.02 0.06 0.10 -0.55 8.46 8.09 3fp0A1 SER 328 HA 0.02 0.07 0.55 -0.75 4.49 4.37 3fp0A1 SER 328 HB2 0.02 0.07 0.14 -0.04 3.95 4.13 3fp0A1 SER 328 HB3 0.02 0.05 0.14 -0.04 3.93 4.10 3fp0A1 ASP 329 H 0.01 0.12 0.18 -0.55 8.40 8.17 3fp0A1 ASP 329 HA 0.01 0.16 0.44 -0.75 4.63 4.49 3fp0A1 ASP 329 HB2 0.01 -0.04 0.10 -0.04 2.71 2.74 3fp0A1 ASP 329 HB3 0.01 -0.00 0.08 -0.04 2.70 2.75 3fp0A1 ASP 330 H 0.02 0.01 -0.24 -0.55 8.40 7.63 3fp0A1 ASP 330 HA 0.02 0.19 0.71 -0.75 4.63 4.80 3fp0A1 ASP 330 HB2 0.01 -0.01 0.02 -0.04 2.71 2.69 3fp0A1 ASP 330 HB3 0.01 0.03 0.11 -0.04 2.70 2.81 3fp0A1 GLU 331 H 0.03 0.26 -0.49 -0.55 8.60 7.84 3fp0A1 GLU 331 HA 0.03 0.00 0.37 -0.75 4.29 3.94 3fp0A1 GLU 331 HB2 0.05 0.06 -0.06 -0.04 2.09 2.09 3fp0A1 GLU 331 HB3 0.05 0.07 -0.05 -0.04 1.99 2.02 3fp0A1 GLU 331 HG2 0.03 -0.16 0.02 -0.04 2.34 2.18 3fp0A1 GLU 331 HG3 0.04 0.03 0.03 -0.04 2.34 2.39 3fp0A1 VAL 332 H 0.03 0.22 0.20 -0.55 8.24 8.14 3fp0A1 VAL 332 HA 0.06 0.17 0.85 -0.75 4.13 4.46 3fp0A1 VAL 332 HB 0.00 -0.02 -0.00 -0.04 2.12 2.06 3fp0A1 VAL 332 HG13 0.03 0.00 -0.26 -0.04 0.97 0.70 3fp0A1 VAL 332 HG23 0.02 0.00 -0.06 -0.04 0.95 0.87 3fp0A1 PHE 333 H 0.19 0.57 0.17 -0.55 8.34 8.73 3fp0A1 PHE 333 HA 0.00 0.15 0.80 -0.75 4.62 4.81 3fp0A1 PHE 333 HB2 0.00 0.02 0.07 -0.04 3.15 3.20 3fp0A1 PHE 333 HB3 -0.01 -0.06 0.19 -0.04 3.06 3.14 3fp0A1 PHE 333 HD2 0.00 -0.05 -0.14 -0.04 7.28 7.05 3fp0A1 PHE 333 HE2 0.02 -0.02 -0.10 -0.04 7.38 7.23 3fp0A1 PHE 333 HZ 0.04 0.03 -0.09 -0.04 7.32 7.25 3fp0A1 ILE 334 H -0.39 0.33 0.16 -0.55 8.25 7.79 3fp0A1 ILE 334 HA -0.22 0.32 0.92 -0.75 4.18 4.45 3fp0A1 ILE 334 HB -0.19 0.05 0.07 -0.04 1.89 1.77 3fp0A1 ILE 334 HG12 -0.07 -0.01 -0.13 -0.04 1.49 1.24 3fp0A1 ILE 334 HG13 -0.08 -0.07 -0.56 -0.04 1.21 0.46 3fp0A1 ILE 334 HG23 -0.20 -0.01 -0.17 -0.04 0.93 0.51 3fp0A1 ILE 334 HD13 -0.06 -0.01 -0.07 -0.04 0.88 0.71 3fp0A1 SER 335 H -0.28 0.48 0.09 -0.55 8.46 8.21 3fp0A1 SER 335 HA -0.31 0.24 0.87 -0.75 4.49 4.53 3fp0A1 SER 335 HB2 -0.71 0.08 -0.30 -0.04 3.95 2.98 3fp0A1 SER 335 HB3 -0.11 -0.11 -0.00 -0.04 3.93 3.66 3fp0A1 PRO 336 HA -0.30 0.16 0.73 -0.51 4.44 4.53 3fp0A1 PRO 336 HB2 -0.17 0.01 0.06 -0.04 2.28 2.13 3fp0A1 PRO 336 HB3 -0.32 -0.02 0.02 -0.04 2.02 1.66 3fp0A1 PRO 336 HG2 -0.45 0.08 0.01 -0.04 2.03 1.62 3fp0A1 PRO 336 HG3 -0.58 -0.01 -0.13 -0.04 2.03 1.27 3fp0A1 PRO 336 HD2 -0.28 0.16 0.21 -0.04 3.68 3.73 3fp0A1 PRO 336 HD3 -0.33 0.18 -0.05 -0.04 3.65 3.41 3fp0A1 THR 337 H -0.10 0.72 0.43 -0.55 8.28 8.79 3fp0A1 THR 337 HA 0.04 0.17 0.93 -0.75 4.39 4.78 3fp0A1 THR 337 HB 0.10 -0.10 0.07 -0.04 4.32 4.35 3fp0A1 THR 337 HG23 0.23 0.09 0.07 -0.04 1.22 1.57 3fp0A1 SER 338 H 0.04 0.19 0.22 -0.55 8.46 8.37 3fp0A1 SER 338 HA 0.06 0.17 0.58 -0.75 4.49 4.55 3fp0A1 SER 338 HB2 0.03 -0.01 0.10 -0.04 3.95 4.03 3fp0A1 SER 338 HB3 0.02 0.03 0.08 -0.04 3.93 4.02 3fp0A1 VAL 339 H 0.06 0.72 0.31 -0.55 8.24 8.77 3fp0A1 VAL 339 HA 0.07 0.12 0.81 -0.75 4.13 4.37 3fp0A1 VAL 339 HB 0.15 0.01 0.05 -0.04 2.12 2.29 3fp0A1 VAL 339 HG13 0.22 0.03 -0.28 -0.04 0.97 0.90 3fp0A1 VAL 339 HG23 0.23 0.02 -0.32 -0.04 0.95 0.84 3fp0A1 ASP 340 H 0.07 0.18 0.15 -0.55 8.40 8.25 3fp0A1 ASP 340 HA 0.07 0.12 0.76 -0.75 4.63 4.83 3fp0A1 ASP 340 HB2 0.03 0.03 0.18 -0.04 2.71 2.92 3fp0A1 ASP 340 HB3 0.06 0.02 0.21 -0.04 2.70 2.95 3fp0A1 GLY 341 H 0.11 0.72 0.32 -0.55 8.43 9.03 3fp0A1 GLY 341 HA2 0.58 0.14 0.53 -0.51 4.01 4.74 3fp0A1 GLY 341 HA3 0.16 0.02 0.07 -0.51 4.01 3.75 3fp0A1 ARG 342 H 0.09 0.11 -0.19 -0.55 8.46 7.92 3fp0A1 ARG 342 HA -0.04 0.09 0.36 -0.75 4.34 4.00 3fp0A1 ARG 342 HB2 0.02 -0.06 0.07 -0.04 1.90 1.89 3fp0A1 ARG 342 HB3 0.00 0.17 0.09 -0.04 1.80 2.02 3fp0A1 ARG 342 HG2 -0.04 0.05 0.07 -0.04 1.67 1.71 3fp0A1 ARG 342 HG3 0.01 -0.12 0.09 -0.04 1.67 1.61 3fp0A1 ARG 342 HD2 0.02 -0.12 0.06 -0.04 3.22 3.14 3fp0A1 ARG 342 HD3 0.04 0.23 0.12 -0.04 3.22 3.57 3fp0A1 ARG 343 H -0.05 0.12 -0.34 -0.55 8.46 7.64 3fp0A1 ARG 343 HA -0.18 0.11 0.36 -0.75 4.34 3.87 3fp0A1 ARG 343 HB2 -0.44 0.03 0.09 -0.04 1.90 1.54 3fp0A1 ARG 343 HB3 -0.31 -0.04 0.04 -0.04 1.80 1.46 3fp0A1 ARG 343 HG2 -1.31 -0.05 -0.07 -0.04 1.67 0.20 3fp0A1 ARG 343 HG3 -1.95 0.05 -0.24 -0.04 1.67 -0.52 3fp0A1 TRP 344 H 0.24 0.33 -0.45 -0.55 7.97 7.55 3fp0A1 TRP 344 HA -0.02 0.14 0.68 -0.75 4.62 4.66 3fp0A1 TRP 344 HB2 -0.03 0.15 0.10 -0.04 3.23 3.41 3fp0A1 TRP 344 HB3 -0.02 -0.10 0.18 -0.04 3.23 3.25 3fp0A1 TRP 344 HD1 -0.01 0.14 0.13 -0.04 7.22 7.44 3fp0A1 TRP 344 HE1 -0.02 0.18 -0.11 -0.04 10.20 10.21 3fp0A1 TRP 344 HE3 -0.01 0.10 0.01 -0.04 7.59 7.64 3fp0A1 TRP 344 HZ2 0.04 0.28 0.05 -0.04 7.44 7.77 3fp0A1 TRP 344 HZ3 0.02 0.21 -0.02 -0.04 7.13 7.30 3fp0A1 TRP 344 HH2 0.06 -0.02 -0.05 -0.04 7.19 7.14 3fp0A1 LEU 345 H 0.02 0.44 -0.28 -0.55 8.37 8.01 3fp0A1 LEU 345 HA 0.01 0.15 0.78 -0.75 4.35 4.54 3fp0A1 LEU 345 HB2 -0.04 0.05 0.05 -0.04 1.64 1.65 3fp0A1 LEU 345 HB3 -0.05 0.03 0.03 -0.04 1.64 1.62 3fp0A1 LEU 345 HG -0.13 -0.06 -0.00 -0.04 1.64 1.40 3fp0A1 LEU 345 HD13 -0.62 -0.00 -0.13 -0.04 0.93 0.14 3fp0A1 LEU 345 HD23 -0.17 -0.03 -0.24 -0.04 0.89 0.41 3fp0A1 ARG 346 H 0.02 0.63 0.20 -0.55 8.46 8.76 3fp0A1 ARG 346 HA 0.01 0.06 0.47 -0.75 4.34 4.12 3fp0A1 ARG 346 HB2 0.04 0.05 0.08 -0.04 1.90 2.02 3fp0A1 ARG 346 HB3 0.03 -0.11 0.04 -0.04 1.80 1.71 3fp0A1 ARG 346 HG2 0.02 -0.06 -0.01 -0.04 1.67 1.58 3fp0A1 ARG 346 HG3 0.03 0.19 -0.29 -0.04 1.67 1.56 3fp0A1 ARG 346 HD2 0.03 -0.09 0.00 -0.04 3.22 3.12 3fp0A1 ARG 346 HD3 0.03 0.10 -0.03 -0.04 3.22 3.27 3fp0A1 GLU 347 H 0.01 0.16 0.19 -0.55 8.60 8.41 3fp0A1 GLU 347 HA 0.00 0.11 0.24 -0.75 4.29 3.89 3fp0A1 GLU 347 HB2 -0.01 0.05 0.16 -0.04 2.09 2.25 3fp0A1 GLU 347 HB3 0.01 -0.02 0.13 -0.04 1.99 2.07 3fp0A1 GLU 347 HG2 0.01 0.01 -0.14 -0.04 2.34 2.19 3fp0A1 GLU 347 HG3 -0.00 -0.00 0.05 -0.04 2.34 2.35 3fp0A1 ASP 348 H 0.03 0.08 -0.28 -0.55 8.40 7.69 3fp0A1 ASP 348 HA 0.05 0.14 0.44 -0.75 4.63 4.51 3fp0A1 ILE 349 H 0.06 0.43 -0.42 -0.55 8.25 7.77 3fp0A1 ILE 349 HA 0.15 0.24 0.82 -0.75 4.18 4.63 3fp0A1 ILE 349 HB 0.08 0.07 0.05 -0.04 1.89 2.05 3fp0A1 ILE 349 HG12 0.13 0.10 -0.06 -0.04 1.49 1.61 3fp0A1 ILE 349 HG13 0.08 -0.16 -0.30 -0.04 1.21 0.79 3fp0A1 ILE 349 HG23 0.26 0.00 -0.13 -0.04 0.93 1.02 3fp0A1 ILE 349 HD13 0.10 0.01 -0.01 -0.04 0.88 0.93 3fp0A1 ALA 350 H 0.05 0.43 -0.02 -0.55 8.40 8.32 3fp0A1 ALA 350 HA 0.03 0.01 0.15 -0.75 4.34 3.78 3fp0A1 ALA 350 HB3 -0.00 0.03 -0.06 -0.04 1.41 1.34 3fp0A1 SER 351 H 0.08 0.19 -0.32 -0.55 8.46 7.87 3fp0A1 SER 351 HA 0.07 0.00 0.75 -0.75 4.49 4.56 3fp0A1 SER 351 HB2 0.07 0.00 -0.00 -0.04 3.95 3.97 3fp0A1 SER 351 HB3 0.07 0.00 0.12 -0.04 3.93 4.08 3fp0A1 ASN 352 H 0.16 0.50 -0.32 -0.55 8.53 8.34 3fp0A1 ASN 352 HA 0.20 0.16 0.73 -0.75 4.76 5.10 3fp0A1 ASN 352 HB2 0.17 -0.06 -0.17 -0.04 2.88 2.78 3fp0A1 ASN 352 HB3 0.19 0.09 0.09 -0.04 2.79 3.12 3fp0A1 ASN 352 HD21 0.20 0.05 0.07 -0.04 7.03 7.31 3fp0A1 ASN 352 HD22 0.16 0.01 0.08 -0.04 7.74 7.96 3fp0A1 PHE 353 H 0.17 0.16 -0.19 -0.55 8.34 7.93 3fp0A1 PHE 353 HA 0.18 0.17 0.95 -0.75 4.62 5.17 3fp0A1 PHE 353 HB2 0.07 0.13 -0.14 -0.04 3.15 3.17 3fp0A1 PHE 353 HB3 0.03 -0.05 0.04 -0.04 3.06 3.04 3fp0A1 PHE 353 HD2 0.07 0.05 -0.22 -0.04 7.28 7.14 3fp0A1 PHE 353 HE2 0.06 0.18 -0.32 -0.04 7.38 7.26 3fp0A1 PHE 353 HZ 0.03 -0.08 -0.08 -0.04 7.32 7.16 3fp0A1 TYR 354 H -0.13 0.11 0.20 -0.55 8.29 7.92 3fp0A1 TYR 354 HA 0.09 0.05 0.57 -0.75 4.56 4.51 3fp0A1 TYR 354 HB2 -0.07 0.01 0.10 -0.04 3.06 3.06 3fp0A1 TYR 354 HB3 0.15 0.02 -0.02 -0.04 2.98 3.09 3fp0A1 TYR 354 HD2 0.16 0.05 -0.16 -0.04 7.15 7.16 3fp0A1 TYR 354 HE2 -0.08 -0.01 -0.22 -0.04 6.85 6.50 3fp0A1 ALA 355 H -0.41 -0.04 0.09 -0.55 8.40 7.49 3fp0A1 ALA 355 HA -0.04 0.35 0.52 -0.75 4.34 4.41 3fp0A1 ALA 355 HB3 -0.18 0.01 0.04 -0.04 1.41 1.24 3fp0A1 MET 356 H 0.09 0.26 -0.11 -0.55 8.47 8.17 3fp0A1 MET 356 HA 0.18 -0.10 0.17 -0.75 4.52 4.01 3fp0A1 MET 356 HB2 0.09 0.29 -0.05 -0.04 2.15 2.43 3fp0A1 MET 356 HB3 0.06 -0.01 0.05 -0.04 2.03 2.09 3fp0A1 MET 356 HG2 0.01 -0.12 -0.10 -0.04 2.63 2.38 3fp0A1 MET 356 HG3 0.06 -0.13 -0.21 -0.04 2.56 2.23 3fp0A1 MET 356 HE3 -0.11 0.08 -0.16 -0.04 2.10 1.87 3fp0A1 CYS 357 H 0.14 0.06 0.00 -0.55 8.50 8.15 3fp0A1 CYS 357 HA 0.05 0.15 0.50 -0.75 4.58 4.53 3fp0A1 CYS 357 HB2 0.02 0.21 -0.19 -0.04 2.97 2.96 3fp0A1 CYS 357 HB3 0.06 -0.08 0.13 -0.04 2.97 3.04 3fp0A1 GLN 358 H 0.04 0.25 0.07 -0.55 8.47 8.28 3fp0A1 GLN 358 HA 0.06 0.21 1.11 -0.75 4.36 4.98 3fp0A1 GLN 358 HB2 0.04 -0.06 0.05 -0.04 2.15 2.14 3fp0A1 GLN 358 HB3 0.05 0.15 0.07 -0.04 2.02 2.25 3fp0A1 GLN 358 HG2 0.07 -0.23 -0.27 -0.04 2.40 1.92 3fp0A1 GLN 358 HG3 0.03 0.07 -0.04 -0.04 2.39 2.42 3fp0A1 GLN 358 HE21 0.02 -0.01 -0.04 -0.04 6.97 6.91 3fp0A1 GLN 358 HE22 0.05 -0.10 -0.05 -0.04 7.69 7.55 3fp0A1 THR 359 H 0.03 0.70 0.30 -0.55 8.28 8.76 3fp0A1 THR 359 HA -0.12 0.08 0.50 -0.75 4.39 4.10 3fp0A1 THR 359 HB -0.21 0.02 0.06 -0.04 4.32 4.15 3fp0A1 THR 359 HG23 -0.36 -0.01 -0.24 -0.04 1.22 0.57 3fp0A1 ALA 360 H -0.20 0.32 0.21 -0.55 8.40 8.18 3fp0A1 ALA 360 HA -0.01 0.17 0.93 -0.75 4.34 4.68 3fp0A1 ALA 360 HB3 -0.14 0.02 -0.21 -0.04 1.41 1.03 3fp0A1 ALA 361 H -0.08 0.73 0.39 -0.55 8.40 8.90 3fp0A1 ALA 361 HA -0.82 0.13 0.66 -0.75 4.34 3.55 3fp0A1 ALA 361 HB3 -0.03 0.02 0.03 -0.04 1.41 1.39 3fp0A1 VAL 362 H -1.98 0.23 0.06 -0.55 8.24 6.00 3fp0A1 VAL 362 HA -0.45 0.21 0.87 -0.75 4.13 4.00 3fp0A1 VAL 362 HB -0.15 -0.01 0.06 -0.04 2.12 1.98 3fp0A1 VAL 362 HG13 -0.19 0.02 -0.26 -0.04 0.97 0.49 3fp0A1 VAL 362 HG23 -0.90 -0.00 -0.16 -0.04 0.95 -0.15 3fp0A1 VAL 363 H -0.25 0.63 0.13 -0.55 8.24 8.20 3fp0A1 VAL 363 HA -0.16 0.03 0.69 -0.75 4.13 3.94 3fp0A1 VAL 363 HB 0.00 0.10 0.13 -0.04 2.12 2.31 3fp0A1 VAL 363 HG13 0.17 -0.00 -0.20 -0.04 0.97 0.89 3fp0A1 VAL 363 HG23 -0.29 -0.01 -0.02 -0.04 0.95 0.59 3fp0A1 ARG 364 H 0.03 0.21 0.17 -0.55 8.46 8.31 3fp0A1 ARG 364 HA 0.04 0.48 1.00 -0.75 4.34 5.11 3fp0A1 ARG 364 HB2 0.06 -0.03 0.09 -0.04 1.90 1.97 3fp0A1 ARG 364 HB3 0.05 -0.04 -0.07 -0.04 1.80 1.69 3fp0A1 ARG 364 HG2 -0.01 0.04 -0.10 -0.04 1.67 1.57 3fp0A1 ARG 364 HG3 0.03 -0.00 -0.40 -0.04 1.67 1.26 3fp0A1 ARG 364 HD2 0.06 -0.01 -0.08 -0.04 3.22 3.15 3fp0A1 ARG 364 HD3 0.10 -0.00 -0.05 -0.04 3.22 3.22 3fp0A1 ILE 365 H 0.17 0.70 0.18 -0.55 8.25 8.75 3fp0A1 ILE 365 HA 0.07 0.13 0.86 -0.75 4.18 4.48 3fp0A1 ILE 365 HB 0.13 -0.06 0.12 -0.04 1.89 2.03 3fp0A1 ILE 365 HG12 0.04 0.04 -0.10 -0.04 1.49 1.43 3fp0A1 ILE 365 HG13 0.18 -0.06 -0.50 -0.04 1.21 0.78 3fp0A1 ILE 365 HG23 -0.01 0.02 -0.13 -0.04 0.93 0.77 3fp0A1 ILE 365 HD13 -0.18 -0.01 -0.09 -0.04 0.88 0.56 3fp0A1 GLU 366 H 0.04 0.14 0.04 -0.55 8.60 8.27 3fp0A1 GLU 366 HA 0.04 0.20 0.81 -0.75 4.29 4.59 3fp0A1 GLU 366 HB2 0.03 0.01 0.04 -0.04 2.09 2.12 3fp0A1 GLU 366 HB3 0.02 -0.02 0.11 -0.04 1.99 2.06 3fp0A1 GLU 366 HG2 0.03 0.07 0.00 -0.04 2.34 2.40 3fp0A1 GLU 366 HG3 0.03 -0.04 -0.10 -0.04 2.34 2.19 3fp0A1 ASN 367 H 0.02 0.23 0.15 -0.55 8.53 8.39 3fp0A1 ASN 367 HA 0.01 0.04 0.35 -0.75 4.76 4.42 3fp0A1 ASN 367 HB2 0.01 0.21 0.04 -0.04 2.88 3.10 3fp0A1 ASN 367 HB3 0.01 -0.06 0.13 -0.04 2.79 2.83 3fp0A1 ASN 367 HD21 0.01 0.02 -0.03 -0.04 7.03 6.99 3fp0A1 ASN 367 HD22 0.01 0.02 0.03 -0.04 7.74 7.76 3fp0A1 LEU 368 H 0.02 0.22 -0.14 -0.55 8.37 7.92 3fp0A1 LEU 368 HA -0.01 0.09 0.14 -0.75 4.35 3.81 3fp0A1 LEU 368 HB2 0.03 0.05 -0.03 -0.04 1.64 1.64 3fp0A1 LEU 368 HB3 0.01 0.04 -0.10 -0.04 1.64 1.54 3fp0A1 LEU 368 HG 0.05 0.01 -0.12 -0.04 1.64 1.54 3fp0A1 LEU 368 HD13 0.10 -0.01 -0.24 -0.04 0.93 0.74 3fp0A1 LEU 368 HD23 0.03 -0.00 -0.12 -0.04 0.89 0.76 3fp0A1 LYS 369 H 0.01 0.10 -0.22 -0.55 8.42 7.75 3fp0A1 LYS 369 HA -0.00 0.13 0.36 -0.75 4.32 4.05 3fp0A1 LYS 369 HB2 0.01 0.05 0.08 -0.04 1.87 1.97 3fp0A1 LYS 369 HB3 0.00 -0.05 0.03 -0.04 1.79 1.73 3fp0A1 LYS 369 HG2 0.00 -0.03 -0.02 -0.04 1.46 1.37 3fp0A1 LYS 369 HG3 0.00 0.00 -0.20 -0.04 1.46 1.22 3fp0A1 LYS 369 HD2 0.00 0.02 0.10 -0.04 1.69 1.78 3fp0A1 LYS 369 HD3 0.01 0.05 0.01 -0.04 1.68 1.71 3fp0A1 LYS 369 HE2 0.00 0.02 -0.00 -0.04 2.99 2.98 3fp0A1 LYS 369 HE3 0.00 -0.03 -0.01 -0.04 2.99 2.92 3fp0A1 SER 370 H -0.00 0.23 -0.28 -0.55 8.46 7.86 3fp0A1 SER 370 HA -0.01 0.04 0.28 -0.75 4.49 4.04 3fp0A1 SER 370 HB2 -0.01 -0.05 0.09 -0.04 3.95 3.95 3fp0A1 SER 370 HB3 -0.00 -0.09 0.09 -0.04 3.93 3.88 3fp0A1 ILE 371 H -0.03 0.34 -0.57 -0.55 8.25 7.44 3fp0A1 ILE 371 HA -0.05 0.14 0.87 -0.75 4.18 4.38 3fp0A1 ILE 371 HB -0.10 -0.06 0.11 -0.04 1.89 1.81 3fp0A1 ILE 371 HG12 -0.04 0.04 -0.07 -0.04 1.49 1.38 3fp0A1 ILE 371 HG13 -0.08 0.11 -0.24 -0.04 1.21 0.96 3fp0A1 ILE 371 HG23 -0.04 -0.02 -0.13 -0.04 0.93 0.70 3fp0A1 ILE 371 HD13 -0.10 -0.03 -0.10 -0.04 0.88 0.61 3fp0A1 THR 372 H -0.03 0.39 -0.19 -0.55 8.28 7.90 3fp0A1 THR 372 HA -0.07 0.02 0.63 -0.75 4.39 4.21 3fp0A1 THR 372 HB -0.01 0.05 0.20 -0.04 4.32 4.52 3fp0A1 THR 372 HG23 0.00 -0.02 -0.20 -0.04 1.22 0.96 3fp0A1 VAL 373 H -0.10 0.27 0.21 -0.55 8.24 8.08 3fp0A1 VAL 373 HA 0.00 0.13 0.89 -0.75 4.13 4.40 3fp0A1 VAL 373 HB 0.04 0.00 -0.07 -0.04 2.12 2.05 3fp0A1 VAL 373 HG13 -0.02 0.01 -0.37 -0.04 0.97 0.55 3fp0A1 VAL 373 HG23 -0.19 0.02 -0.05 -0.04 0.95 0.69 3fp0A1 SER 374 H 0.05 0.06 0.14 -0.55 8.46 8.16 3fp0A1 SER 374 HA 0.07 0.24 0.65 -0.75 4.49 4.70 3fp0A1 SER 374 HB2 0.05 0.17 0.07 -0.04 3.95 4.20 3fp0A1 SER 374 HB3 0.04 -0.01 0.13 -0.04 3.93 4.05 3fp0A1 HIS 375 H -0.02 0.21 0.15 -0.55 8.41 8.21 3fp0A1 HIS 375 HA -0.07 0.16 0.54 -0.75 4.63 4.51 3fp0A1 HIS 375 HB2 -0.10 -0.02 0.09 -0.04 3.26 3.18 3fp0A1 HIS 375 HB3 -0.15 0.02 0.06 -0.04 3.20 3.08 3fp0A1 HIS 375 HD2 -0.16 0.02 0.04 -0.04 6.97 6.83 3fp0A1 HIS 375 HE1 -1.48 0.07 0.09 -0.04 7.75 6.38 3fp0A1 LYS 376 H 0.07 -0.05 -0.30 -0.55 8.42 7.59 3fp0A1 LYS 376 HA 0.04 0.20 0.58 -0.75 4.32 4.40 3fp0A1 LYS 376 HB2 0.04 -0.03 0.02 -0.04 1.87 1.85 3fp0A1 LYS 376 HB3 0.03 0.01 0.03 -0.04 1.79 1.82 3fp0A1 LYS 376 HG2 0.03 0.03 -0.03 -0.04 1.46 1.44 3fp0A1 LYS 376 HG3 0.05 -0.06 -0.16 -0.04 1.46 1.24 3fp0A1 LYS 376 HD2 0.04 -0.00 -0.01 -0.04 1.69 1.68 3fp0A1 LYS 376 HD3 0.03 0.01 -0.01 -0.04 1.68 1.66 3fp0A1 LYS 376 HE2 0.01 0.00 -0.02 -0.04 2.99 2.94 3fp0A1 LYS 376 HE3 0.02 -0.00 -0.04 -0.04 2.99 2.92 3fp0A1 ASP 377 H 0.06 0.06 -0.34 -0.55 8.40 7.63 3fp0A1 ASP 377 HA 0.03 0.01 0.50 -0.75 4.63 4.42 3fp0A1 ASP 377 HB2 0.06 0.20 0.05 -0.04 2.71 2.97 3fp0A1 ASP 377 HB3 0.03 -0.01 0.03 -0.04 2.70 2.71 3fp0A1 GLU 378 H 0.02 0.08 0.15 -0.55 8.60 8.30 3fp0A1 GLU 378 HA 0.02 0.09 0.44 -0.75 4.29 4.09 3fp0A1 GLU 378 HB2 0.02 -0.05 0.11 -0.04 2.09 2.12 3fp0A1 GLU 378 HB3 0.01 -0.09 0.07 -0.04 1.99 1.94 3fp0A1 GLU 378 HG2 0.01 0.03 0.14 -0.04 2.34 2.48 3fp0A1 GLU 378 HG3 0.01 0.03 0.07 -0.04 2.34 2.41 3fp0A1 LYS 379 H 0.02 0.16 0.20 -0.55 8.42 8.25 3fp0A1 LYS 379 HA 0.05 0.21 0.40 -0.75 4.32 4.23 3fp0A1 LYS 379 HB2 0.02 0.07 0.17 -0.04 1.87 2.09 3fp0A1 LYS 379 HB3 0.01 -0.09 0.15 -0.04 1.79 1.81 3fp0A1 LYS 379 HG2 0.01 -0.08 -0.15 -0.04 1.46 1.20 3fp0A1 LYS 379 HG3 0.04 0.13 0.11 -0.04 1.46 1.69 3fp0A1 LYS 379 HD2 0.00 -0.02 0.04 -0.04 1.69 1.67 3fp0A1 LYS 379 HD3 -0.01 -0.11 0.00 -0.04 1.68 1.52 3fp0A1 LYS 379 HE2 -0.03 -0.13 0.02 -0.04 2.99 2.81 3fp0A1 LYS 379 HE3 -0.04 -0.01 0.01 -0.04 2.99 2.91 3fp0A1 GLU 380 H 0.01 0.07 -0.18 -0.55 8.60 7.95 3fp0A1 GLU 380 HA -0.01 0.00 0.29 -0.75 4.29 3.81 3fp0A1 GLU 380 HB2 -0.01 0.00 0.09 -0.04 2.09 2.12 3fp0A1 GLU 380 HB3 -0.00 0.00 0.02 -0.04 1.99 1.97 3fp0A1 GLU 380 HG2 -0.01 0.00 0.00 -0.04 2.34 2.29 3fp0A1 GLU 380 HG3 -0.01 0.00 -0.05 -0.04 2.34 2.24 3fp0A1 LEU 381 H 0.02 0.23 -0.46 -0.55 8.37 7.61 3fp0A1 LEU 381 HA 0.01 0.08 0.40 -0.75 4.35 4.08 3fp0A1 LEU 381 HB2 0.02 0.19 0.02 -0.04 1.64 1.84 3fp0A1 LEU 381 HB3 0.01 0.07 -0.05 -0.04 1.64 1.64 3fp0A1 LEU 381 HG 0.01 -0.13 -0.00 -0.04 1.64 1.48 3fp0A1 LEU 381 HD13 0.01 -0.01 0.03 -0.04 0.93 0.93 3fp0A1 LEU 381 HD23 0.00 0.02 -0.02 -0.04 0.89 0.85 3fp0A1 GLN 382 H 0.05 0.39 -0.18 -0.55 8.47 8.19 3fp0A1 GLN 382 HA 0.02 0.06 0.45 -0.75 4.36 4.13 3fp0A1 GLN 382 HB2 0.11 0.15 0.12 -0.04 2.15 2.49 3fp0A1 GLN 382 HB3 0.19 -0.03 -0.04 -0.04 2.02 2.09 3fp0A1 GLN 382 HG2 0.15 -0.03 -0.08 -0.04 2.40 2.39 3fp0A1 GLN 382 HG3 0.09 0.12 -0.14 -0.04 2.39 2.42 3fp0A1 GLN 382 HE21 0.10 0.11 -0.02 -0.04 6.97 7.12 3fp0A1 GLN 382 HE22 0.09 0.48 -0.23 -0.04 7.69 7.98 3fp0A1 VAL 383 H 0.06 0.53 -0.09 -0.55 8.24 8.19 3fp0A1 VAL 383 HA 0.26 0.05 0.44 -0.75 4.13 4.12 3fp0A1 VAL 383 HB -0.02 -0.04 0.12 -0.04 2.12 2.14 3fp0A1 VAL 383 HG13 -0.18 -0.01 -0.14 -0.04 0.97 0.60 3fp0A1 VAL 383 HG23 -0.04 0.04 0.01 -0.04 0.95 0.92 3fp0A1 ARG 384 H 0.02 0.54 -0.15 -0.55 8.46 8.32 3fp0A1 ARG 384 HA 0.02 -0.02 0.52 -0.75 4.34 4.12 3fp0A1 ARG 384 HB2 0.00 0.10 0.19 -0.04 1.90 2.16 3fp0A1 ARG 384 HB3 -0.00 -0.01 0.01 -0.04 1.80 1.76 3fp0A1 ARG 384 HG2 -0.01 -0.04 0.05 -0.04 1.67 1.64 3fp0A1 ARG 384 HG3 -0.01 0.04 0.09 -0.04 1.67 1.75 3fp0A1 ALA 385 H -0.00 0.53 -0.20 -0.55 8.40 8.18 3fp0A1 ALA 385 HA -0.04 0.01 0.44 -0.75 4.34 4.00 3fp0A1 ALA 385 HB3 -0.09 0.06 0.11 -0.04 1.41 1.46 3fp0A1 LEU 386 H -0.00 0.66 -0.14 -0.55 8.37 8.34 3fp0A1 LEU 386 HA -0.16 -0.01 0.44 -0.75 4.35 3.87 3fp0A1 LEU 386 HB2 0.18 0.12 0.16 -0.04 1.64 2.05 3fp0A1 LEU 386 HB3 -0.39 -0.10 -0.03 -0.04 1.64 1.08 3fp0A1 LEU 386 HG -0.14 0.08 -0.00 -0.04 1.64 1.54 3fp0A1 LEU 386 HD13 0.16 -0.01 -0.15 -0.04 0.93 0.89 3fp0A1 LEU 386 HD23 -0.23 -0.03 -0.14 -0.04 0.89 0.44 3fp0A1 GLU 387 H 0.17 0.77 -0.06 -0.55 8.60 8.93 3fp0A1 GLU 387 HA 0.02 0.00 0.47 -0.75 4.29 4.03 3fp0A1 GLU 387 HB2 0.05 0.12 0.19 -0.04 2.09 2.40 3fp0A1 GLU 387 HB3 0.00 0.00 -0.05 -0.04 1.99 1.91 3fp0A1 GLU 387 HG2 0.15 -0.04 -0.04 -0.04 2.34 2.37 3fp0A1 GLU 387 HG3 0.36 0.09 0.03 -0.04 2.34 2.78 3fp0A1 SER 388 H -0.00 0.78 -0.03 -0.55 8.46 8.66 3fp0A1 SER 388 HA 0.00 -0.01 0.46 -0.75 4.49 4.19 3fp0A1 SER 388 HB2 -0.01 -0.02 0.09 -0.04 3.95 3.97 3fp0A1 SER 388 HB3 -0.02 0.14 0.17 -0.04 3.93 4.18 3fp0A1 ALA 389 H -0.06 0.65 -0.12 -0.55 8.40 8.33 3fp0A1 ALA 389 HA -0.04 0.02 0.43 -0.75 4.34 3.99 3fp0A1 ALA 389 HB3 -0.12 0.02 0.11 -0.04 1.41 1.38 3fp0A1 CYS 390 H -0.06 0.74 -0.04 -0.55 8.50 8.59 3fp0A1 CYS 390 HA 0.06 -0.05 0.35 -0.75 4.58 4.18 3fp0A1 CYS 390 HB2 -0.07 0.17 0.15 -0.04 2.97 3.18 3fp0A1 CYS 390 HB3 0.13 -0.09 -0.05 -0.04 2.97 2.92 3fp0A1 ARG 391 H 0.05 0.53 -0.30 -0.55 8.46 8.18 3fp0A1 ARG 391 HA 0.34 -0.00 0.47 -0.75 4.34 4.40 3fp0A1 ARG 391 HB2 0.06 0.13 0.19 -0.04 1.90 2.23 3fp0A1 ARG 391 HB3 0.11 -0.06 0.03 -0.04 1.80 1.84 3fp0A1 ARG 391 HG2 0.23 -0.03 0.01 -0.04 1.67 1.84 3fp0A1 ARG 391 HG3 -0.03 0.14 0.04 -0.04 1.67 1.78 3fp0A1 ARG 391 HD2 0.02 -0.01 -0.04 -0.04 3.22 3.14 3fp0A1 ARG 391 HD3 0.06 -0.04 -0.00 -0.04 3.22 3.20 3fp0A1 ASN 392 H 0.05 0.62 0.05 -0.55 8.53 8.70 3fp0A1 ASN 392 HA 0.05 -0.02 0.55 -0.75 4.76 4.58 3fp0A1 ASN 392 HB2 0.02 0.16 0.25 -0.04 2.88 3.28 3fp0A1 ASN 392 HB3 0.04 0.11 0.11 -0.04 2.79 3.01 3fp0A1 ASN 392 HD21 0.01 -0.08 -0.01 -0.04 7.03 6.91 3fp0A1 ASN 392 HD22 0.02 0.63 0.11 -0.04 7.74 8.46 3fp0A1 ILE 393 H 0.06 0.65 -0.12 -0.55 8.25 8.28 3fp0A1 ILE 393 HA 0.07 -0.00 0.49 -0.75 4.18 3.98 3fp0A1 ILE 393 HB 0.10 0.09 0.17 -0.04 1.89 2.21 3fp0A1 ILE 393 HG12 0.09 -0.06 -0.07 -0.04 1.49 1.41 3fp0A1 ILE 393 HG13 0.05 0.05 -0.04 -0.04 1.21 1.23 3fp0A1 ILE 393 HG23 0.37 -0.03 -0.12 -0.04 0.93 1.11 3fp0A1 ILE 393 HD13 -0.01 0.01 -0.31 -0.04 0.88 0.53 3fp0A1 LYS 394 H -0.02 0.70 0.04 -0.55 8.42 8.58 3fp0A1 LYS 394 HA -0.07 -0.06 0.46 -0.75 4.32 3.89 3fp0A1 LYS 394 HB2 -0.68 0.02 0.17 -0.04 1.87 1.33 3fp0A1 LYS 394 HB3 -0.26 0.10 0.14 -0.04 1.79 1.72 3fp0A1 LYS 394 HG2 -0.29 -0.08 -0.01 -0.04 1.46 1.04 3fp0A1 LYS 394 HG3 -0.72 0.04 0.07 -0.04 1.46 0.80 3fp0A1 LYS 394 HD2 -2.33 0.00 -0.12 -0.04 1.69 -0.80 3fp0A1 LYS 394 HD3 -0.51 0.01 -0.06 -0.04 1.68 1.07 3fp0A1 LYS 394 HE2 -0.24 -0.08 -0.04 -0.04 2.99 2.59 3fp0A1 LYS 394 HE3 -0.41 0.06 -0.05 -0.04 2.99 2.55 3fp0A1 LYS 395 H 0.03 0.61 -0.17 -0.55 8.42 8.33 3fp0A1 LYS 395 HA 0.03 -0.03 0.44 -0.75 4.32 4.01 3fp0A1 LYS 395 HB2 0.04 0.13 0.17 -0.04 1.87 2.17 3fp0A1 LYS 395 HB3 0.05 0.11 0.21 -0.04 1.79 2.11 3fp0A1 SER 396 H 0.07 0.67 -0.01 -0.55 8.46 8.65 3fp0A1 SER 396 HA 0.13 -0.02 0.47 -0.75 4.49 4.32 3fp0A1 SER 396 HB2 -0.04 0.14 0.31 -0.04 3.95 4.31 3fp0A1 SER 396 HB3 0.00 0.20 0.22 -0.04 3.93 4.31 3fp0A1 TYR 397 H 0.17 0.62 -0.06 -0.55 8.29 8.48 3fp0A1 TYR 397 HA 0.23 -0.05 0.40 -0.75 4.56 4.39 3fp0A1 TYR 397 HB2 0.11 0.20 0.19 -0.04 3.06 3.52 3fp0A1 TYR 397 HB3 0.15 -0.08 -0.03 -0.04 2.98 2.99 3fp0A1 TYR 397 HD2 0.16 0.02 -0.08 -0.04 7.15 7.21 3fp0A1 TYR 397 HE2 0.16 -0.00 -0.09 -0.04 6.85 6.87 3fp0A1 ARG 398 H 0.20 0.59 -0.12 -0.55 8.46 8.58 3fp0A1 ARG 398 HA 0.14 -0.08 0.34 -0.75 4.34 3.99 3fp0A1 ARG 398 HB2 0.06 0.17 0.19 -0.04 1.90 2.27 3fp0A1 ARG 398 HB3 0.06 0.11 0.10 -0.04 1.80 2.03 3fp0A1 GLN 399 H 0.13 0.47 -0.31 -0.55 8.47 8.22 3fp0A1 GLN 399 HA -0.07 -0.01 0.38 -0.75 4.36 3.90 3fp0A1 TRP 400 H 0.35 0.58 -0.19 -0.55 7.97 8.17 3fp0A1 TRP 400 HA 0.04 0.11 0.95 -0.75 4.62 4.98 3fp0A1 TRP 400 HB2 0.11 0.05 0.26 -0.04 3.23 3.61 3fp0A1 TRP 400 HB3 0.05 0.03 0.17 -0.04 3.23 3.44 3fp0A1 TRP 400 HD1 0.01 0.50 0.10 -0.04 7.22 7.79 3fp0A1 TRP 400 HE1 -0.01 0.13 0.05 -0.04 10.20 10.32 3fp0A1 TRP 400 HE3 0.03 0.02 0.08 -0.04 7.59 7.68 3fp0A1 TRP 400 HZ2 -0.00 0.04 -0.08 -0.04 7.44 7.35 3fp0A1 TRP 400 HZ3 0.06 -0.02 -0.05 -0.04 7.13 7.09 3fp0A1 TRP 400 HH2 0.08 -0.01 -0.10 -0.04 7.19 7.12 3fp0A1 LEU 401 H 0.38 0.71 0.22 -0.55 8.37 9.13 3fp0A1 LEU 401 HA 0.51 0.01 0.33 -0.75 4.35 4.44 3fp0A1 LEU 401 HB2 0.23 0.04 -0.04 -0.04 1.64 1.83 3fp0A1 LEU 401 HB3 0.26 -0.03 -0.01 -0.04 1.64 1.82 3fp0A1 LEU 401 HG 0.43 0.13 0.00 -0.04 1.64 2.16 3fp0A1 LEU 401 HD13 0.10 -0.01 -0.08 -0.04 0.93 0.90 3fp0A1 LEU 401 HD23 0.40 -0.02 -0.06 -0.04 0.89 1.17 3fp0A1 GLU 402 H 0.13 0.52 -0.17 -0.55 8.60 8.53 3fp0A1 GLU 402 HA 0.07 0.04 0.49 -0.75 4.29 4.14 3fp0A1 ASN 403 H 0.09 0.43 -0.54 -0.55 8.53 7.96 3fp0A1 ASN 403 HA -0.18 0.22 0.85 -0.75 4.76 4.90 3fp0A1 ASN 403 HB2 -0.25 0.15 0.04 -0.04 2.88 2.78 3fp0A1 ASN 403 HB3 -0.33 -0.05 0.14 -0.04 2.79 2.51 3fp0A1 ASN 403 HD21 -0.50 -0.08 -0.01 -0.04 7.03 6.41 3fp0A1 ASN 403 HD22 -0.33 0.14 0.01 -0.04 7.74 7.52 3fp0A1 PRO 404 HA 0.37 0.12 0.36 -0.51 4.44 4.79 3fp0A1 PRO 404 HB2 0.02 -0.03 0.01 -0.04 2.28 2.25 3fp0A1 PRO 404 HB3 0.08 0.04 0.12 -0.04 2.02 2.22 3fp0A1 PRO 404 HG2 -0.03 0.01 0.10 -0.04 2.03 2.07 3fp0A1 PRO 404 HG3 0.01 0.11 0.11 -0.04 2.03 2.21 3fp0A1 PRO 404 HD2 -0.26 -0.00 0.21 -0.04 3.68 3.60 3fp0A1 PRO 404 HD3 -0.09 0.44 0.39 -0.04 3.65 4.35 3fp0A1 PHE 405 H -0.48 0.13 -0.36 -0.55 8.34 7.08 3fp0A1 PHE 405 HA -0.07 0.16 0.74 -0.75 4.62 4.69 3fp0A1 PHE 405 HB2 -0.15 -0.05 0.14 -0.04 3.15 3.05 3fp0A1 PHE 405 HB3 -0.10 0.03 0.01 -0.04 3.06 2.96 3fp0A1 PHE 405 HD2 0.07 -0.02 -0.25 -0.04 7.28 7.03 3fp0A1 PHE 405 HE2 0.03 0.01 -0.09 -0.04 7.38 7.28 3fp0A1 PHE 405 HZ -0.04 0.08 -0.06 -0.04 7.32 7.27 3fp0A1 LEU 406 H -0.31 0.56 -0.30 -0.55 8.37 7.78 3fp0A1 LEU 406 HA 0.03 0.02 0.15 -0.75 4.35 3.80 3fp0A1 LEU 406 HB2 -0.22 0.32 0.17 -0.04 1.64 1.87 3fp0A1 LEU 406 HB3 -1.57 -0.04 0.06 -0.04 1.64 0.05 3fp0A1 LEU 406 HG -0.40 -0.18 -0.05 -0.04 1.64 0.96 3fp0A1 LEU 406 HD13 0.28 0.07 0.11 -0.04 0.93 1.35 3fp0A1 LEU 406 HD23 -0.02 0.03 -0.28 -0.04 0.89 0.58 3fp0A1 GLN 407 H -1.05 0.20 -0.10 -0.55 8.47 6.97 3fp0A1 GLN 407 HA -0.35 0.05 0.55 -0.75 4.36 3.86 3fp0A1 GLN 407 HB2 -0.13 0.05 0.08 -0.04 2.15 2.11 3fp0A1 GLN 407 HB3 -0.07 0.03 0.06 -0.04 2.02 2.00 3fp0A1 GLN 407 HG2 -0.00 0.10 -0.14 -0.04 2.40 2.31 3fp0A1 GLN 407 HG3 -0.07 -0.02 -0.28 -0.04 2.39 1.98 3fp0A1 GLN 407 HE21 -0.03 0.21 -0.02 -0.04 6.97 7.08 3fp0A1 GLN 407 HE22 -0.06 -0.03 -0.09 -0.04 7.69 7.47 3fp0A1 ALA 408 H -0.09 0.15 -0.12 -0.55 8.40 7.79 3fp0A1 ALA 408 HA -0.03 0.01 0.48 -0.75 4.34 4.05 3fp0A1 ALA 408 HB3 -0.11 0.04 0.10 -0.04 1.41 1.40 3fp0A1 LEU 409 H 0.13 0.59 -0.19 -0.55 8.37 8.35 3fp0A1 LEU 409 HA 0.04 0.01 0.39 -0.75 4.35 4.03 3fp0A1 LEU 409 HB2 0.21 -0.02 0.03 -0.04 1.64 1.82 3fp0A1 LEU 409 HB3 0.03 0.21 0.16 -0.04 1.64 2.00 3fp0A1 LEU 409 HG -0.20 -0.07 -0.02 -0.04 1.64 1.31 3fp0A1 LEU 409 HD13 0.14 0.03 -0.18 -0.04 0.93 0.88 3fp0A1 LEU 409 HD23 -0.17 0.01 -0.19 -0.04 0.89 0.50 3fp0A1 GLY 410 H -0.19 0.59 0.01 -0.55 8.43 8.30 3fp0A1 GLY 410 HA2 -0.56 -0.01 0.44 -0.51 4.01 3.37 3fp0A1 GLY 410 HA3 -0.28 0.06 0.48 -0.51 4.01 3.76 3fp0A1 LEU 411 H -0.11 0.55 -0.14 -0.55 8.37 8.12 3fp0A1 LEU 411 HA -0.06 -0.14 0.41 -0.75 4.35 3.80 3fp0A1 LEU 411 HB2 -0.06 0.15 0.18 -0.04 1.64 1.88 3fp0A1 LEU 411 HB3 -0.13 -0.07 0.04 -0.04 1.64 1.45 3fp0A1 LEU 411 HG -0.08 0.23 0.05 -0.04 1.64 1.80 3fp0A1 LEU 411 HD13 -0.07 -0.02 -0.12 -0.04 0.93 0.68 3fp0A1 LEU 411 HD23 -0.07 -0.04 -0.09 -0.04 0.89 0.65 3fp0A1 ARG 412 H -0.04 0.51 -0.12 -0.55 8.46 8.27 3fp0A1 ARG 412 HA 0.02 0.04 0.31 -0.75 4.34 3.95 3fp0A1 ARG 412 HB2 0.11 -0.02 0.12 -0.04 1.90 2.07 3fp0A1 ARG 412 HB3 -0.07 0.06 0.15 -0.04 1.80 1.90 3fp0A1 ARG 412 HG2 -0.04 -0.01 -0.11 -0.04 1.67 1.48 3fp0A1 ARG 412 HG3 0.05 0.05 -0.04 -0.04 1.67 1.68 3fp0A1 ARG 412 HD2 0.19 -0.13 -0.00 -0.04 3.22 3.24 3fp0A1 ARG 412 HD3 -0.31 -0.06 -0.05 -0.04 3.22 2.77 3fp0A1 VAL 413 H -0.19 0.67 0.00 -0.55 8.24 8.17 3fp0A1 VAL 413 HA 0.01 0.09 0.58 -0.75 4.13 4.06 3fp0A1 VAL 413 HB -0.01 -0.03 0.03 -0.04 2.12 2.07 3fp0A1 VAL 413 HG13 -0.19 0.03 0.07 -0.04 0.97 0.85 3fp0A1 VAL 413 HG23 -0.84 0.03 -0.04 -0.04 0.95 0.06 3fp0A1 HIS 414 H -0.17 0.66 -0.07 -0.55 8.41 8.29 3fp0A1 HIS 414 HA 0.05 0.08 0.63 -0.75 4.63 4.63 3fp0A1 HIS 414 HB2 -0.05 -0.02 0.01 -0.04 3.26 3.17 3fp0A1 HIS 414 HB3 -0.02 -0.03 -0.39 -0.04 3.20 2.73 3fp0A1 HIS 414 HD2 -0.08 -0.11 -0.07 -0.04 6.97 6.66 3fp0A1 HIS 414 HE1 -0.01 0.03 -0.15 -0.04 7.75 7.58 3fp0A1 ASN 415 H 0.06 0.62 -0.06 -0.55 8.53 8.60 3fp0A1 ASN 415 HA 0.05 -0.01 0.53 -0.75 4.76 4.58 3fp0A1 ASN 415 HB2 0.07 0.20 0.20 -0.04 2.88 3.31 3fp0A1 ASN 415 HB3 0.09 0.03 -0.00 -0.04 2.79 2.86 3fp0A1 ASN 415 HD21 -0.12 -0.09 0.02 -0.04 7.03 6.80 3fp0A1 ASN 415 HD22 0.07 0.09 -0.03 -0.04 7.74 7.83 3fp0A1 PHE 416 H 0.22 0.41 -0.21 -0.55 8.34 8.20 3fp0A1 PHE 416 HA 0.06 0.04 0.39 -0.75 4.62 4.36 3fp0A1 PHE 416 HB2 0.02 0.02 0.14 -0.04 3.15 3.29 3fp0A1 PHE 416 HB3 0.02 0.11 0.24 -0.04 3.06 3.38 3fp0A1 PHE 416 HD2 0.04 0.04 -0.02 -0.04 7.28 7.30 3fp0A1 PHE 416 HE2 -0.04 0.03 -0.02 -0.04 7.38 7.30 3fp0A1 PHE 416 HZ 0.06 0.03 -0.03 -0.04 7.32 7.35 3fp0A1 GLU 417 H 0.24 0.52 -0.11 -0.55 8.60 8.70 3fp0A1 GLU 417 HA -0.05 0.02 0.37 -0.75 4.29 3.88 3fp0A1 GLU 417 HB2 0.29 0.06 0.10 -0.04 2.09 2.50 3fp0A1 GLU 417 HB3 0.20 0.02 0.07 -0.04 1.99 2.24 3fp0A1 GLU 417 HG2 0.17 0.01 -0.15 -0.04 2.34 2.33 3fp0A1 GLU 417 HG3 0.20 0.02 0.01 -0.04 2.34 2.53 3fp0A1 ALA 418 H 0.07 0.58 -0.26 -0.55 8.40 8.23 3fp0A1 ALA 418 HA 0.06 0.04 0.42 -0.75 4.34 4.11 3fp0A1 ALA 418 HB3 0.04 0.03 -0.18 -0.04 1.41 1.26 3fp0A1 SER 419 H -0.03 0.42 -0.24 -0.55 8.46 8.07 3fp0A1 SER 419 HA 0.01 -0.00 0.40 -0.75 4.49 4.15 3fp0A1 SER 419 HB2 -0.09 0.15 0.20 -0.04 3.95 4.17 3fp0A1 SER 419 HB3 -0.04 -0.03 0.01 -0.04 3.93 3.83 3fp0A1 TYR 420 H -0.21 0.60 -0.04 -0.55 8.29 8.09 3fp0A1 TYR 420 HA -0.23 -0.01 0.39 -0.75 4.56 3.96 3fp0A1 TYR 420 HB2 -0.86 -0.02 0.06 -0.04 3.06 2.20 3fp0A1 TYR 420 HB3 -0.30 0.04 0.16 -0.04 2.98 2.83 3fp0A1 TYR 420 HD2 -0.12 0.02 -0.12 -0.04 7.15 6.89 3fp0A1 TYR 420 HE2 -0.21 0.01 -0.03 -0.04 6.85 6.57 3fp0A1 LEU 421 H 0.07 0.65 -0.18 -0.55 8.37 8.36 3fp0A1 LEU 421 HA -0.08 0.25 0.33 -0.75 4.35 4.09 3fp0A1 LEU 421 HB2 0.06 0.05 0.13 -0.04 1.64 1.84 3fp0A1 LEU 421 HB3 0.03 -0.03 -0.04 -0.04 1.64 1.55 3fp0A1 LEU 421 HG 0.14 -0.02 0.02 -0.04 1.64 1.74 3fp0A1 LEU 421 HD13 0.15 -0.04 -0.07 -0.04 0.93 0.93 3fp0A1 LEU 421 HD23 -0.05 0.05 0.01 -0.04 0.89 0.85 3fp0A1 HIS 422 H 0.07 0.55 -0.22 -0.55 8.41 8.26 3fp0A1 HIS 422 HA -0.06 -0.04 0.45 -0.75 4.63 4.23 3fp0A1 HIS 422 HB2 -0.03 -0.01 0.10 -0.04 3.26 3.28 3fp0A1 HIS 422 HB3 -0.06 0.15 0.14 -0.04 3.20 3.40 3fp0A1 HIS 422 HD2 -0.04 0.00 -0.11 -0.04 6.97 6.78 3fp0A1 HIS 422 HE1 -0.06 -0.04 -0.00 -0.04 7.75 7.61 3fp0A1 ALA 423 H -0.13 0.35 -0.39 -0.55 8.40 7.69 3fp0A1 ALA 423 HA -0.26 0.05 0.61 -0.75 4.34 3.99 3fp0A1 ALA 423 HB3 -0.16 -0.01 0.07 -0.04 1.41 1.27 3fp0A1 LYS 424 H -0.27 0.40 -0.24 -0.55 8.42 7.75 3fp0A1 LYS 424 HA -0.19 0.08 0.71 -0.75 4.32 4.16 3fp0A1 LYS 424 HB2 -0.38 -0.06 -0.13 -0.04 1.87 1.27 3fp0A1 LYS 424 HB3 -0.57 0.05 0.08 -0.04 1.79 1.31 3fp0A1 PRO 425 HA -0.07 0.20 0.39 -0.51 4.44 4.45 3fp0A1 PRO 425 HB2 -0.06 -0.06 0.02 -0.04 2.28 2.14 3fp0A1 PRO 425 HB3 -0.06 -0.05 0.04 -0.04 2.02 1.91 3fp0A1 PRO 425 HG2 -0.11 -0.05 0.01 -0.04 2.03 1.84 3fp0A1 PRO 425 HG3 -0.14 0.15 -0.02 -0.04 2.03 1.98 3fp0A1 PRO 425 HD2 -0.11 0.00 0.09 -0.04 3.68 3.62 3fp0A1 PRO 425 HD3 -0.17 0.26 -0.42 -0.04 3.65 3.28 3fp0A1 ILE 426 H -0.06 0.12 -0.20 -0.55 8.25 7.55 3fp0A1 ILE 426 HA 0.02 0.17 0.92 -0.75 4.18 4.54 3fp0A1 ILE 426 HB 0.02 -0.02 0.16 -0.04 1.89 2.02 3fp0A1 ILE 426 HG12 -0.01 -0.07 -0.15 -0.04 1.49 1.23 3fp0A1 ILE 426 HG13 0.02 -0.04 0.01 -0.04 1.21 1.16 3fp0A1 ILE 426 HG23 0.13 0.00 -0.01 -0.04 0.93 1.00 3fp0A1 ILE 426 HD13 0.03 0.02 0.03 -0.04 0.88 0.91 3fp0A1 PRO 427 HA -0.21 0.15 0.27 -0.51 4.44 4.14 3fp0A1 PRO 427 HB2 -1.23 -0.02 0.07 -0.04 2.28 1.06 3fp0A1 PRO 427 HB3 -0.48 0.11 -0.02 -0.04 2.02 1.60 3fp0A1 PRO 427 HG2 -1.16 -0.00 -0.05 -0.04 2.03 0.78 3fp0A1 PRO 427 HG3 -0.70 0.00 0.01 -0.04 2.03 1.30 3fp0A1 PRO 427 HD2 0.10 -0.02 0.14 -0.04 3.68 3.86 3fp0A1 PRO 427 HD3 -0.07 0.33 0.14 -0.04 3.65 4.02 3fp0A1 PHE 428 H 0.18 0.02 -0.28 -0.55 8.34 7.70 3fp0A1 PHE 428 HA 0.17 0.41 0.93 -0.75 4.62 5.38 3fp0A1 PHE 428 HB2 0.11 -0.13 -0.07 -0.04 3.15 3.02 3fp0A1 PHE 428 HB3 0.37 0.19 -0.13 -0.04 3.06 3.45 3fp0A1 PHE 428 HD2 0.18 0.10 0.05 -0.04 7.28 7.57 3fp0A1 PHE 428 HE2 0.05 0.00 -0.05 -0.04 7.38 7.34 3fp0A1 PHE 428 HZ -0.20 -0.03 -0.07 -0.04 7.32 6.98 3fp0A1 GLU 429 H 0.29 0.38 0.21 -0.55 8.60 8.93 3fp0A1 GLU 429 HA 0.27 0.09 0.71 -0.75 4.29 4.60 3fp0A1 GLY 430 H -0.37 0.15 0.03 -0.55 8.43 7.70 3fp0A1 GLY 430 HA2 -0.40 0.02 0.44 -0.51 4.01 3.55 3fp0A1 GLY 430 HA3 -0.15 0.07 0.38 -0.51 4.01 3.80 3fp0A1 GLU 431 H 0.08 0.70 -0.04 -0.55 8.60 8.80 3fp0A1 GLU 431 HA 0.15 0.22 0.80 -0.75 4.29 4.70 3fp0A1 GLU 431 HB2 0.12 0.13 -0.09 -0.04 2.09 2.21 3fp0A1 GLU 431 HB3 0.14 -0.15 -0.38 -0.04 1.99 1.56 3fp0A1 GLU 431 HG2 0.05 -0.01 -0.33 -0.04 2.34 2.00 3fp0A1 GLU 431 HG3 -0.01 -0.07 -0.46 -0.04 2.34 1.75 3fp0A1 ALA 432 H 0.26 0.55 0.11 -0.55 8.40 8.78 3fp0A1 ALA 432 HA 0.14 0.22 0.69 -0.75 4.34 4.64 3fp0A1 ALA 432 HB3 -0.43 0.01 -0.13 -0.04 1.41 0.82 3fp0A1 ASN 433 H 0.11 0.29 0.07 -0.55 8.53 8.46 3fp0A1 ASN 433 HA 0.11 -0.03 0.64 -0.75 4.76 4.72 3fp0A1 ASN 433 HB2 0.07 0.16 0.13 -0.04 2.88 3.20 3fp0A1 ASN 433 HB3 0.03 -0.01 0.17 -0.04 2.79 2.94 3fp0A1 ASN 433 HD21 -0.87 -0.15 -0.04 -0.04 7.03 5.92 3fp0A1 ASN 433 HD22 -0.27 0.09 0.13 -0.04 7.74 7.65 3fp0A1 PRO 434 HA 0.15 0.18 0.66 -0.51 4.44 4.92 3fp0A1 PRO 434 HB2 0.25 -0.04 -0.05 -0.04 2.28 2.40 3fp0A1 PRO 434 HB3 0.21 -0.04 0.04 -0.04 2.02 2.19 3fp0A1 PRO 434 HG2 0.03 0.01 0.09 -0.04 2.03 2.11 3fp0A1 PRO 434 HG3 -0.06 0.02 0.15 -0.04 2.03 2.10 3fp0A1 PRO 434 HD2 0.22 0.08 0.23 -0.04 3.68 4.17 3fp0A1 PRO 434 HD3 0.08 0.09 0.39 -0.04 3.65 4.17 3fp0A1 LEU 435 H 0.27 0.67 0.41 -0.55 8.37 9.16 3fp0A1 LEU 435 HA 0.17 0.18 0.83 -0.75 4.35 4.77 3fp0A1 LEU 435 HB2 0.07 0.12 0.00 -0.04 1.64 1.79 3fp0A1 LEU 435 HB3 0.38 -0.04 0.16 -0.04 1.64 2.11 3fp0A1 LEU 435 HG 0.15 -0.08 -0.26 -0.04 1.64 1.40 3fp0A1 LEU 435 HD13 0.05 -0.06 0.15 -0.04 0.93 1.03 3fp0A1 LEU 435 HD23 0.15 -0.02 -0.05 -0.04 0.89 0.92 3fp0A1 PHE 436 H 0.28 0.23 0.19 -0.55 8.34 8.49 3fp0A1 PHE 436 HA 0.10 0.23 1.11 -0.75 4.62 5.32 3fp0A1 PHE 436 HB2 0.12 0.04 0.00 -0.04 3.15 3.27 3fp0A1 PHE 436 HB3 0.13 0.00 0.10 -0.04 3.06 3.25 3fp0A1 PHE 436 HD2 0.11 0.05 -0.05 -0.04 7.28 7.34 3fp0A1 PHE 436 HE2 0.04 -0.06 -0.11 -0.04 7.38 7.21 3fp0A1 PHE 436 HZ 0.01 -0.13 -0.01 -0.04 7.32 7.15 3fp0A1 ILE 437 H -0.40 0.83 0.43 -0.55 8.25 8.57 3fp0A1 ILE 437 HA -0.28 0.14 0.97 -0.75 4.18 4.26 3fp0A1 ILE 437 HB -0.12 -0.04 0.08 -0.04 1.89 1.77 3fp0A1 ILE 437 HG12 -0.01 0.02 -0.14 -0.04 1.49 1.31 3fp0A1 ILE 437 HG13 0.01 -0.04 -0.57 -0.04 1.21 0.57 3fp0A1 ILE 437 HG23 -0.11 -0.01 -0.14 -0.04 0.93 0.63 3fp0A1 ILE 437 HD13 0.06 0.00 -0.18 -0.04 0.88 0.73 3fp0A1 SER 438 H -0.34 0.28 0.14 -0.55 8.46 7.99 3fp0A1 SER 438 HA -0.35 0.14 1.16 -0.75 4.49 4.69 3fp0A1 SER 438 HB2 -0.30 0.03 -0.02 -0.04 3.95 3.62 3fp0A1 SER 438 HB3 -0.13 0.06 0.16 -0.04 3.93 3.98 3fp0A1 ASP 439 H -0.11 0.58 0.39 -0.55 8.40 8.72 3fp0A1 ASP 439 HA -0.09 0.14 0.71 -0.75 4.63 4.64 3fp0A1 ASP 439 HB2 -0.13 0.15 0.09 -0.04 2.71 2.77 3fp0A1 ASP 439 HB3 -0.15 -0.01 -0.02 -0.04 2.70 2.48 3fp0A1 GLY 440 H -0.01 0.07 0.14 -0.55 8.43 8.08 3fp0A1 GLY 440 HA2 0.01 -0.03 0.27 -0.51 4.01 3.74 3fp0A1 GLY 440 HA3 0.01 0.15 0.39 -0.51 4.01 4.04 3fp0A1 ILE 441 H -0.03 0.18 0.17 -0.55 8.25 8.02 3fp0A1 ILE 441 HA 0.07 0.10 0.58 -0.75 4.18 4.17 3fp0A1 ILE 441 HB 0.04 -0.03 0.01 -0.04 1.89 1.87 3fp0A1 ILE 441 HG23 -0.00 0.02 -0.01 -0.04 0.93 0.89 3fp0A1 ASN 442 H 0.21 0.69 0.43 -0.55 8.53 9.32 3fp0A1 ASN 442 HA 0.11 0.11 0.40 -0.75 4.76 4.62 3fp0A1 ASN 442 HB2 0.50 0.01 0.22 -0.04 2.88 3.57 3fp0A1 ASN 442 HB3 -0.06 0.03 0.06 -0.04 2.79 2.78 3fp0A1 ASN 442 HD21 0.02 -0.04 -0.06 -0.04 7.03 6.91 3fp0A1 ASN 442 HD22 0.08 0.00 -0.08 -0.04 7.74 7.70 3fp0A1 GLU 443 H 0.27 -0.01 -0.18 -0.55 8.60 8.13 3fp0A1 GLU 443 HA 0.29 0.29 0.50 -0.75 4.29 4.62 3fp0A1 GLU 443 HB2 -0.01 -0.10 0.01 -0.04 2.09 1.95 3fp0A1 GLU 443 HB3 -0.10 0.09 -0.05 -0.04 1.99 1.89 3fp0A1 GLU 443 HG2 -0.24 0.02 0.04 -0.04 2.34 2.12 3fp0A1 GLU 443 HG3 -0.39 0.14 0.08 -0.04 2.34 2.12 3fp0A1 ARG 444 H -0.26 0.31 -0.32 -0.55 8.46 7.64 3fp0A1 ARG 444 HA -0.25 0.05 0.54 -0.75 4.34 3.93 3fp0A1 ARG 444 HB2 -1.41 0.10 0.09 -0.04 1.90 0.64 3fp0A1 ARG 444 HB3 -1.07 0.02 -0.02 -0.04 1.80 0.69 3fp0A1 ARG 444 HG2 -0.24 0.01 0.05 -0.04 1.67 1.45 3fp0A1 ARG 444 HG3 -0.27 -0.10 0.07 -0.04 1.67 1.33 3fp0A1 ARG 444 HD2 -0.23 0.03 0.02 -0.04 3.22 2.99 3fp0A1 ARG 444 HD3 -0.14 -0.07 0.04 -0.04 3.22 3.01 3fp0A1 PHE 445 H -0.18 0.44 -0.21 -0.55 8.34 7.84 3fp0A1 PHE 445 HA 0.01 0.21 0.84 -0.75 4.62 4.92 3fp0A1 PHE 445 HB2 -0.05 0.00 -0.13 -0.04 3.15 2.93 3fp0A1 PHE 445 HB3 -0.06 -0.03 -0.24 -0.04 3.06 2.69 3fp0A1 PHE 445 HD2 -0.05 0.06 -0.13 -0.04 7.28 7.13 3fp0A1 PHE 445 HE2 -0.05 0.04 -0.06 -0.04 7.38 7.27 3fp0A1 PHE 445 HZ -0.04 -0.05 -0.02 -0.04 7.32 7.17 3fp0A1 ILE 446 H 0.17 0.38 0.14 -0.55 8.25 8.39 3fp0A1 ILE 446 HA 0.13 0.18 0.87 -0.75 4.18 4.61 3fp0A1 ILE 446 HB -0.06 -0.09 -0.02 -0.04 1.89 1.68 3fp0A1 ILE 446 HG12 -0.17 0.02 -0.16 -0.04 1.49 1.14 3fp0A1 ILE 446 HG13 0.03 -0.05 -0.49 -0.04 1.21 0.67 3fp0A1 ILE 446 HG23 0.13 0.04 -0.19 -0.04 0.93 0.87 3fp0A1 ILE 446 HD13 -0.18 -0.04 -0.06 -0.04 0.88 0.56 3fp0A1 PRO 447 HA 0.14 0.06 0.53 -0.51 4.44 4.66 3fp0A1 PRO 447 HB2 0.16 0.03 0.11 -0.04 2.28 2.55 3fp0A1 PRO 447 HB3 0.13 0.04 0.09 -0.04 2.02 2.24 3fp0A1 PRO 447 HG2 0.32 0.02 -0.05 -0.04 2.03 2.28 3fp0A1 PRO 447 HG3 0.23 0.07 0.02 -0.04 2.03 2.31 3fp0A1 PRO 447 HD2 0.41 0.04 0.18 -0.04 3.68 4.26 3fp0A1 PRO 447 HD3 0.20 0.24 0.25 -0.04 3.65 4.30 3fp0A1 HIS 448 H 0.07 0.12 0.18 -0.55 8.41 8.24 3fp0A1 HIS 448 HA 0.37 0.15 0.60 -0.75 4.63 5.00 3fp0A1 HIS 448 HB2 -0.01 -0.01 0.13 -0.04 3.26 3.34 3fp0A1 HIS 448 HB3 -0.02 -0.01 0.05 -0.04 3.20 3.18 3fp0A1 HIS 448 HD2 -1.38 0.10 -0.03 -0.04 6.97 5.60 3fp0A1 HIS 448 HE1 -0.26 -0.02 0.04 -0.04 7.75 7.46 3fp0A1 GLU 449 H 0.18 0.14 -0.12 -0.55 8.60 8.26 3fp0A1 GLU 449 HA 0.08 0.21 0.93 -0.75 4.29 4.77 3fp0A1 GLU 449 HB2 0.06 -0.03 -0.12 -0.04 2.09 1.97 3fp0A1 GLU 449 HB3 0.04 0.04 -0.04 -0.04 1.99 1.99 3fp0A1 GLU 449 HG2 0.04 -0.01 -0.11 -0.04 2.34 2.22 3fp0A1 GLU 449 HG3 0.08 0.11 -0.19 -0.04 2.34 2.29 3fp0A1 ILE 450 H -0.02 0.56 0.27 -0.55 8.25 8.51 3fp0A1 ILE 450 HA 0.02 0.26 0.73 -0.75 4.18 4.45 3fp0A1 ILE 450 HB -0.07 -0.16 0.20 -0.04 1.89 1.81 3fp0A1 ILE 450 HG12 -0.15 0.13 0.06 -0.04 1.49 1.50 3fp0A1 ILE 450 HG13 -0.38 -0.03 -0.16 -0.04 1.21 0.60 3fp0A1 ILE 450 HG23 -0.04 0.04 -0.12 -0.04 0.93 0.77 3fp0A1 ILE 450 HD13 -0.46 -0.01 -0.09 -0.04 0.88 0.27 3fp0A1 LYS 451 H 0.02 0.30 0.08 -0.55 8.42 8.26 3fp0A1 LYS 451 HA 0.00 0.12 0.86 -0.75 4.32 4.55 3fp0A1 LYS 451 HB2 0.01 -0.01 -0.12 -0.04 1.87 1.71 3fp0A1 LYS 451 HB3 0.00 0.08 -0.38 -0.04 1.79 1.45 3fp0A1 LYS 451 HG2 0.02 0.02 -0.36 -0.04 1.46 1.09 3fp0A1 LYS 451 HG3 0.03 -0.10 -0.39 -0.04 1.46 0.95 3fp0A1 LYS 451 HD2 0.02 -0.00 -0.11 -0.04 1.69 1.56 3fp0A1 LYS 451 HD3 0.01 0.08 -0.13 -0.04 1.68 1.60 3fp0A1 LYS 451 HE2 0.03 -0.07 -0.09 -0.04 2.99 2.83 3fp0A1 LYS 451 HE3 0.02 0.01 -0.05 -0.04 2.99 2.93 3fp0A1 GLN 452 H -0.01 0.54 0.11 -0.55 8.47 8.56 3fp0A1 GLN 452 HA -0.03 0.21 0.88 -0.75 4.36 4.66 3fp0A1 GLN 452 HB2 -0.01 0.00 0.08 -0.04 2.15 2.18 3fp0A1 GLN 452 HB3 -0.01 -0.11 0.15 -0.04 2.02 2.01 3fp0A1 GLN 452 HG2 -0.03 -0.15 -0.07 -0.04 2.40 2.11 3fp0A1 GLN 452 HG3 -0.02 0.28 0.10 -0.04 2.39 2.70 3fp0A1 GLN 452 HE21 -0.01 0.01 -0.04 -0.04 6.97 6.89 3fp0A1 GLN 452 HE22 -0.01 -0.01 -0.04 -0.04 7.69 7.59 3fp0A1 THR 453 H -0.05 0.62 0.14 -0.55 8.28 8.45 3fp0A1 THR 453 HA -0.02 0.04 0.16 -0.75 4.39 3.82 3fp0A1 THR 453 HB -0.08 -0.02 -0.06 -0.04 4.32 4.12 3fp0A1 THR 453 HG23 -0.04 0.01 -0.12 -0.04 1.22 1.03 3fp0A1 ALA 454 H -0.05 0.15 -0.08 -0.55 8.40 7.87 3fp0A1 ALA 454 HA -0.04 0.07 0.39 -0.75 4.34 4.01 3fp0A1 ALA 454 HB3 -0.04 0.00 0.02 -0.04 1.41 1.35 3fp0A1 THR 455 H -0.02 0.13 -0.42 -0.55 8.28 7.43 3fp0A1 THR 455 HA -0.01 0.30 1.06 -0.75 4.39 4.98 3fp0A1 THR 455 HB -0.01 0.01 0.09 -0.04 4.32 4.37 3fp0A1 THR 455 HG23 -0.01 -0.00 -0.12 -0.04 1.22 1.05 3fp0A1 GLY 456 H -0.01 0.49 0.01 -0.55 8.43 8.36 3fp0A1 GLY 456 HA2 -0.00 -0.00 0.25 -0.51 4.01 3.74 3fp0A1 GLY 456 HA3 -0.00 0.10 0.65 -0.51 4.01 4.24 3fp0A1 GLU 457 H -0.01 -0.00 -0.38 -0.55 8.60 7.66 3fp0A1 GLU 457 HA 0.00 0.07 0.47 -0.75 4.29 4.08 3fp0A1 GLU 457 HB2 -0.00 -0.09 0.07 -0.04 2.09 2.03 3fp0A1 GLU 457 HB3 -0.00 0.10 -0.06 -0.04 1.99 2.00 3fp0A1 GLU 457 HG2 -0.00 0.06 -0.04 -0.04 2.34 2.32 3fp0A1 GLU 457 HG3 -0.00 -0.03 0.01 -0.04 2.34 2.28 3fp0A1 ASN 458 H 0.01 0.13 0.15 -0.55 8.53 8.26 3fp0A1 ASN 458 HA 0.01 0.06 0.54 -0.75 4.76 4.61 3fp0A1 ASN 458 HB2 0.01 0.03 0.05 -0.04 2.88 2.93 3fp0A1 ASN 458 HB3 0.02 -0.01 -0.14 -0.04 2.79 2.61 3fp0A1 ASN 458 HD21 0.02 0.00 -0.02 -0.04 7.03 6.99 3fp0A1 ASN 458 HD22 0.01 0.00 -0.01 -0.04 7.74 7.71 3fp0A1 VAL 459 H 0.00 0.64 0.37 -0.55 8.24 8.70 3fp0A1 VAL 459 HA 0.00 0.12 0.89 -0.75 4.13 4.39 3fp0A1 VAL 459 HB -0.01 0.09 -0.01 -0.04 2.12 2.16 3fp0A1 VAL 459 HG13 0.00 -0.02 -0.14 -0.04 0.97 0.78 3fp0A1 VAL 459 HG23 -0.00 0.00 -0.16 -0.04 0.95 0.74 3fp0A1 LEU 460 H -0.01 0.42 0.29 -0.55 8.37 8.52 3fp0A1 LEU 460 HA 0.01 0.31 1.08 -0.75 4.35 5.00 3fp0A1 LEU 460 HB2 -0.05 -0.05 0.03 -0.04 1.64 1.52 3fp0A1 LEU 460 HB3 -0.03 0.04 -0.12 -0.04 1.64 1.49 3fp0A1 LEU 460 HG 0.01 -0.03 -0.48 -0.04 1.64 1.09 3fp0A1 LEU 460 HD13 0.04 -0.00 -0.14 -0.04 0.93 0.78 3fp0A1 LEU 460 HD23 0.02 0.01 -0.28 -0.04 0.89 0.60 3fp0A1 SER 461 H 0.02 0.63 0.34 -0.55 8.46 8.91 3fp0A1 SER 461 HA 0.06 0.19 0.88 -0.75 4.49 4.86 3fp0A1 SER 461 HB2 0.03 -0.00 0.07 -0.04 3.95 4.00 3fp0A1 SER 461 HB3 0.04 -0.11 0.13 -0.04 3.93 3.95 3fp0A1 VAL 462 H 0.18 0.90 0.25 -0.55 8.24 9.02 3fp0A1 VAL 462 HA 0.13 0.04 0.68 -0.75 4.13 4.23 3fp0A1 VAL 462 HB 0.67 0.04 0.14 -0.04 2.12 2.92 3fp0A1 VAL 462 HG13 0.17 -0.03 -0.18 -0.04 0.97 0.89 3fp0A1 VAL 462 HG23 0.05 0.01 -0.28 -0.04 0.95 0.69 3fp0A1 GLU 463 H 0.15 0.53 0.36 -0.55 8.60 9.10 3fp0A1 GLU 463 HA 0.21 0.09 0.44 -0.75 4.29 4.28 3fp0A1 GLU 463 HB2 0.10 0.05 0.04 -0.04 2.09 2.24 3fp0A1 GLU 463 HB3 0.10 -0.05 -0.01 -0.04 1.99 1.99 3fp0A1 GLU 463 HG2 0.07 -0.00 -0.14 -0.04 2.34 2.23 3fp0A1 GLU 463 HG3 0.07 0.02 -0.04 -0.04 2.34 2.34 3fp0A1 SER 464 H 0.14 0.32 0.22 -0.55 8.46 8.60 3fp0A1 SER 464 HA 0.24 0.19 0.83 -0.75 4.49 5.00 3fp0A1 SER 464 HB2 0.09 0.02 -0.00 -0.04 3.95 4.02 3fp0A1 SER 464 HB3 0.11 0.04 -0.22 -0.04 3.93 3.83 3fp0A1 ILE 465 H -0.07 0.24 0.11 -0.55 8.25 7.99 3fp0A1 ILE 465 HA -0.12 0.35 0.99 -0.75 4.18 4.65 3fp0A1 ILE 465 HB -0.41 -0.07 0.03 -0.04 1.89 1.40 3fp0A1 ILE 465 HG12 -0.50 0.11 -0.19 -0.04 1.49 0.88 3fp0A1 ILE 465 HG13 -1.40 -0.09 -0.48 -0.04 1.21 -0.80 3fp0A1 ILE 465 HG23 -0.14 -0.01 -0.21 -0.04 0.93 0.53 3fp0A1 ILE 465 HD13 -1.41 0.01 -0.13 -0.04 0.88 -0.69 3fp0A1 ASP 466 H -0.02 0.64 0.22 -0.55 8.40 8.69 3fp0A1 ASP 466 HA 0.02 0.13 0.80 -0.75 4.63 4.83 3fp0A1 ASP 466 HB2 -0.03 -0.04 0.08 -0.04 2.71 2.68 3fp0A1 ASP 466 HB3 -0.04 0.03 -0.11 -0.04 2.70 2.54 3fp0A1 PHE 467 H 0.13 0.17 0.01 -0.55 8.34 8.09 3fp0A1 PHE 467 HA -0.09 0.22 0.81 -0.75 4.62 4.80 3fp0A1 PHE 467 HB2 -0.08 -0.04 -0.04 -0.04 3.15 2.95 3fp0A1 PHE 467 HB3 -0.06 -0.03 0.09 -0.04 3.06 3.03 3fp0A1 PHE 467 HD2 -0.09 -0.03 -0.21 -0.04 7.28 6.91 3fp0A1 PHE 467 HE2 -0.14 0.01 -0.14 -0.04 7.38 7.08 3fp0A1 PHE 467 HZ -0.20 -0.02 -0.16 -0.04 7.32 6.90 3fp0A1 VAL 468 H -0.40 0.97 0.38 -0.55 8.24 8.65 3fp0A1 VAL 468 HA -0.20 0.09 0.80 -0.75 4.13 4.07 3fp0A1 VAL 468 HB -0.72 0.03 0.01 -0.04 2.12 1.40 3fp0A1 VAL 468 HG13 -1.55 0.00 -0.24 -0.04 0.97 -0.85 3fp0A1 VAL 468 HG23 -0.31 -0.03 -0.36 -0.04 0.95 0.20 3fp0A1 VAL 469 H -0.08 0.17 0.12 -0.55 8.24 7.90 3fp0A1 VAL 469 HA 0.06 0.42 0.88 -0.75 4.13 4.74 3fp0A1 VAL 469 HB 0.15 -0.07 -0.04 -0.04 2.12 2.12 3fp0A1 VAL 469 HG13 0.32 0.09 -0.16 -0.04 0.97 1.18 3fp0A1 VAL 469 HG23 0.17 -0.02 -0.27 -0.04 0.95 0.78 3fp0A1 ASN 470 H 0.28 0.52 0.08 -0.55 8.53 8.87 3fp0A1 ASN 470 HA 0.35 0.02 0.51 -0.75 4.76 4.88 3fp0A1 ASN 470 HB2 0.26 -0.06 0.27 -0.04 2.88 3.31 3fp0A1 ASN 470 HB3 0.17 0.02 -0.01 -0.04 2.79 2.92 3fp0A1 ASN 470 HD21 0.44 -0.06 -0.02 -0.04 7.03 7.35 3fp0A1 ASN 470 HD22 0.28 0.51 0.15 -0.04 7.74 8.64 3fp0A1 GLN 471 H 0.13 0.15 0.22 -0.55 8.47 8.43 3fp0A1 GLN 471 HA 0.03 0.14 1.03 -0.75 4.36 4.80 3fp0A1 GLN 471 HB2 0.02 0.02 -0.08 -0.04 2.15 2.07 3fp0A1 GLN 471 HB3 0.00 -0.05 -0.05 -0.04 2.02 1.87 3fp0A1 GLN 471 HG2 -0.11 0.07 -0.13 -0.04 2.40 2.19 3fp0A1 GLN 471 HG3 -0.07 0.04 -0.35 -0.04 2.39 1.97 3fp0A1 GLN 471 HE21 -1.68 -0.07 -0.10 -0.04 6.97 5.08 3fp0A1 GLN 471 HE22 -0.60 0.24 -0.03 -0.04 7.69 7.26 3fp0A1 SER 472 H -0.11 0.13 0.08 -0.55 8.46 8.01 3fp0A1 SER 472 HA -0.04 0.14 0.78 -0.75 4.49 4.62 3fp0A1 SER 472 HB2 -0.09 -0.04 -0.03 -0.04 3.95 3.75 3fp0A1 SER 472 HB3 -0.05 0.05 0.10 -0.04 3.93 3.99 3fp0A1 LEU 473 H -0.07 -0.04 0.09 -0.55 8.37 7.81 3fp0A1 LEU 473 HA 0.03 0.29 0.82 -0.75 4.35 4.75 3fp0A1 LEU 473 HB2 0.21 -0.09 0.08 -0.04 1.64 1.79 3fp0A1 LEU 473 HB3 0.41 0.07 0.08 -0.04 1.64 2.16 3fp0A1 LEU 473 HG 0.01 -0.13 -0.08 -0.04 1.64 1.40 3fp0A1 LEU 473 HD13 0.37 0.02 0.03 -0.04 0.93 1.30 3fp0A1 LEU 473 HD23 0.06 0.08 0.08 -0.04 0.89 1.06 3fp0A1 PRO 474 HA -0.12 0.07 0.32 -0.51 4.44 4.20 3fp0A1 PRO 474 HB2 -2.02 0.04 0.03 -0.04 2.28 0.28 3fp0A1 PRO 474 HB3 -0.47 0.06 -0.04 -0.04 2.02 1.53 3fp0A1 PRO 474 HG2 -0.45 0.05 -0.16 -0.04 2.03 1.43 3fp0A1 PRO 474 HG3 -0.23 0.10 -0.03 -0.04 2.03 1.83 3fp0A1 PRO 474 HD2 0.27 0.09 0.08 -0.04 3.68 4.08 3fp0A1 PRO 474 HD3 0.03 0.16 0.17 -0.04 3.65 3.97 3fp0A1 TYR 475 H -0.12 0.11 -0.54 -0.55 8.29 7.20 3fp0A1 TYR 475 HA -0.15 0.24 0.85 -0.75 4.56 4.74 3fp0A1 TYR 475 HB2 -0.26 0.14 -0.07 -0.04 3.06 2.83 3fp0A1 TYR 475 HB3 -0.87 0.03 -0.15 -0.04 2.98 1.94 3fp0A1 TYR 475 HD2 0.06 0.08 -0.23 -0.04 7.15 7.02 3fp0A1 TYR 475 HE2 0.24 -0.04 -0.08 -0.04 6.85 6.92 3fp0A1 LEU 476 H -0.03 0.19 0.06 -0.55 8.37 8.04 3fp0A1 LEU 476 HA -0.12 0.29 0.86 -0.75 4.35 4.63 3fp0A1 LEU 476 HB2 -0.05 -0.03 0.15 -0.04 1.64 1.67 3fp0A1 LEU 476 HB3 -0.02 -0.03 0.03 -0.04 1.64 1.57 3fp0A1 LEU 476 HG -0.69 0.07 -0.02 -0.04 1.64 0.96 3fp0A1 LEU 476 HD13 -0.37 -0.02 -0.03 -0.04 0.93 0.48 3fp0A1 LEU 476 HD23 -0.69 0.00 -0.14 -0.04 0.89 0.01 3fp0A1 ALA 477 H 0.01 0.46 0.33 -0.55 8.40 8.65 3fp0A1 ALA 477 HA 0.21 0.27 0.99 -0.75 4.34 5.06 3fp0A1 ALA 477 HB3 0.11 -0.01 0.02 -0.04 1.41 1.48 3fp0A1 ILE 478 H 0.20 0.84 0.39 -0.55 8.25 9.14 3fp0A1 ILE 478 HA 0.14 0.32 1.14 -0.75 4.18 5.03 3fp0A1 ILE 478 HB 0.34 -0.02 0.15 -0.04 1.89 2.32 3fp0A1 ILE 478 HG12 0.12 -0.03 -0.08 -0.04 1.49 1.46 3fp0A1 ILE 478 HG13 0.16 -0.00 -0.22 -0.04 1.21 1.10 3fp0A1 ILE 478 HG23 0.18 -0.01 -0.10 -0.04 0.93 0.96 3fp0A1 ILE 478 HD13 0.25 0.03 -0.16 -0.04 0.88 0.97 3fp0A1 ARG 479 H 0.11 0.59 0.44 -0.55 8.46 9.04 3fp0A1 ARG 479 HA -0.08 0.34 1.17 -0.75 4.34 5.01 3fp0A1 ARG 479 HB2 0.04 0.01 -0.07 -0.04 1.90 1.84 3fp0A1 ARG 479 HB3 0.06 -0.05 0.15 -0.04 1.80 1.92 3fp0A1 ARG 479 HG2 -0.05 -0.05 -0.20 -0.04 1.67 1.33 3fp0A1 ARG 479 HG3 -0.10 0.01 -0.02 -0.04 1.67 1.51 3fp0A1 ARG 479 HD2 0.11 0.01 -0.09 -0.04 3.22 3.21 3fp0A1 ARG 479 HD3 0.16 0.09 -0.06 -0.04 3.22 3.38 3fp0A1 LEU 480 H -0.09 0.57 0.47 -0.55 8.37 8.77 3fp0A1 LEU 480 HA 0.10 0.42 1.26 -0.75 4.35 5.37 3fp0A1 LEU 480 HB2 0.34 0.02 0.03 -0.04 1.64 1.99 3fp0A1 LEU 480 HB3 0.19 -0.09 0.23 -0.04 1.64 1.92 3fp0A1 LEU 480 HG 0.10 -0.02 -0.23 -0.04 1.64 1.44 3fp0A1 LEU 480 HD13 0.11 0.06 -0.04 -0.04 0.93 1.01 3fp0A1 LEU 480 HD23 0.17 -0.03 -0.13 -0.04 0.89 0.85 3fp0A1 ASP 481 H 0.07 0.62 0.41 -0.55 8.40 8.94 3fp0A1 ASP 481 HA 0.03 0.02 0.47 -0.75 4.63 4.39 3fp0A1 ASP 481 HB2 0.04 0.10 0.25 -0.04 2.71 3.06 3fp0A1 ASP 481 HB3 -0.03 0.01 0.02 -0.04 2.70 2.67 3fp0A1 SER 482 H 0.11 0.38 0.32 -0.55 8.46 8.72 3fp0A1 SER 482 HA 0.14 0.34 0.96 -0.75 4.49 5.18 3fp0A1 SER 482 HB2 0.08 0.03 -0.34 -0.04 3.95 3.68 3fp0A1 SER 482 HB3 0.09 -0.11 -0.10 -0.04 3.93 3.77 3fp0A1 TRP 483 H 0.24 0.71 0.24 -0.55 7.97 8.62 3fp0A1 TRP 483 HA 0.07 -0.02 0.69 -0.75 4.62 4.61 3fp0A1 TRP 483 HB2 0.07 0.03 -0.11 -0.04 3.23 3.17 3fp0A1 TRP 483 HB3 0.05 0.06 0.10 -0.04 3.23 3.40 3fp0A1 TRP 483 HD1 0.04 0.06 -0.06 -0.04 7.22 7.22 3fp0A1 TRP 483 HE1 0.06 0.34 -0.36 -0.04 10.20 10.20 3fp0A1 TRP 483 HE3 0.09 -0.15 0.11 -0.04 7.59 7.60 3fp0A1 TRP 483 HZ2 0.23 0.12 -0.03 -0.04 7.44 7.73 3fp0A1 TRP 483 HZ3 0.06 0.08 -0.36 -0.04 7.13 6.88 3fp0A1 TRP 483 HH2 0.20 0.19 -0.67 -0.04 7.19 6.87 3fp0A1 ARG 484 H -0.50 0.16 0.13 -0.55 8.46 7.70 3fp0A1 ARG 484 HA -0.36 0.06 0.37 -0.75 4.34 3.65 3fp0A1 ARG 484 HB2 -0.27 0.14 -0.06 -0.04 1.90 1.67 3fp0A1 ARG 484 HB3 -0.33 0.01 0.22 -0.04 1.80 1.66 3fp0A1 ARG 484 HG2 -1.27 -0.01 0.09 -0.04 1.67 0.44 3fp0A1 ARG 484 HG3 -1.93 -0.07 -0.07 -0.04 1.67 -0.44 3fp0A1 ARG 484 HD2 -0.21 0.13 0.05 -0.04 3.22 3.15 3fp0A1 ARG 484 HD3 -0.35 -0.07 0.06 -0.04 3.22 2.82 3fp0A1 ASP 485 H -0.05 0.00 -0.23 -0.55 8.40 7.58 3fp0A1 ASP 485 HA 0.01 -0.03 0.16 -0.75 4.63 4.02 3fp0A1 ASP 485 HB2 -0.04 0.17 -0.10 -0.04 2.71 2.71 3fp0A1 ASP 485 HB3 -0.01 0.00 0.19 -0.04 2.70 2.84 3fp0A1 ALA 486 H 0.04 0.53 -0.46 -0.55 8.40 7.96 3fp0A1 ALA 486 HA 0.05 0.11 0.75 -0.75 4.34 4.49 3fp0A1 ALA 486 HB3 0.06 0.10 0.06 -0.04 1.41 1.59 3fp0A1 SER 487 H 0.07 0.12 0.07 -0.55 8.46 8.18 3fp0A1 SER 487 HA 0.10 0.16 0.89 -0.75 4.49 4.89 3fp0A1 SER 487 HB2 0.07 -0.06 0.12 -0.04 3.95 4.04 3fp0A1 SER 487 HB3 0.08 0.06 -0.02 -0.04 3.93 4.01 3fp0A1 THR 488 H 0.10 0.65 0.38 -0.55 8.28 8.86 3fp0A1 THR 488 HA 0.11 0.19 1.19 -0.75 4.39 5.13 3fp0A1 THR 488 HB 0.10 -0.06 0.07 -0.04 4.32 4.39 3fp0A1 THR 488 HG23 0.08 -0.01 -0.21 -0.04 1.22 1.04 3fp0A1 LEU 489 H 0.13 0.68 0.40 -0.55 8.37 9.03 3fp0A1 LEU 489 HA 0.10 0.38 1.12 -0.75 4.35 5.20 3fp0A1 LEU 489 HB2 0.09 -0.03 0.19 -0.04 1.64 1.85 3fp0A1 LEU 489 HB3 0.08 0.04 -0.02 -0.04 1.64 1.70 3fp0A1 LEU 489 HG 0.11 0.02 -0.03 -0.04 1.64 1.70 3fp0A1 LEU 489 HD13 0.07 -0.03 -0.23 -0.04 0.93 0.70 3fp0A1 LEU 489 HD23 -0.01 0.00 -0.07 -0.04 0.89 0.77 3fp0A1 ASN 490 H 0.09 0.53 0.40 -0.55 8.53 9.01 3fp0A1 ASN 490 HA 0.09 0.19 0.75 -0.75 4.76 5.04 3fp0A1 ASN 490 HB2 0.07 0.06 0.09 -0.04 2.88 3.05 3fp0A1 ASN 490 HB3 0.06 -0.09 -0.03 -0.04 2.79 2.69 3fp0A1 ASN 490 HD21 0.07 0.43 0.03 -0.04 7.03 7.52 3fp0A1 ASN 490 HD22 0.04 -0.14 -0.12 -0.04 7.74 7.48 3fp0A1 ILE 491 H 0.11 0.54 0.36 -0.55 8.25 8.72 3fp0A1 ILE 491 HA 0.11 0.42 1.10 -0.75 4.18 5.05 3fp0A1 ILE 491 HB 0.09 -0.13 0.12 -0.04 1.89 1.93 3fp0A1 ILE 491 HG12 0.10 0.09 -0.09 -0.04 1.49 1.54 3fp0A1 ILE 491 HG13 0.07 -0.10 -0.21 -0.04 1.21 0.93 3fp0A1 ILE 491 HG23 0.07 0.03 -0.12 -0.04 0.93 0.87 3fp0A1 ILE 491 HD13 0.10 0.02 -0.08 -0.04 0.88 0.87 3fp0A1 ILE 492 H 0.10 0.50 0.32 -0.55 8.25 8.62 3fp0A1 ILE 492 HA 0.16 0.29 1.19 -0.75 4.18 5.06 3fp0A1 ILE 492 HB 0.09 0.08 0.20 -0.04 1.89 2.21 3fp0A1 ILE 492 HG12 0.06 0.01 0.19 -0.04 1.49 1.71 3fp0A1 ILE 492 HG13 0.00 0.02 -0.07 -0.04 1.21 1.13 3fp0A1 ILE 492 HG23 0.05 -0.04 0.06 -0.04 0.93 0.96 3fp0A1 ILE 492 HD13 0.13 -0.01 -0.16 -0.04 0.88 0.80 3fp0A1 TYR 493 H -0.03 0.57 0.39 -0.55 8.29 8.67 3fp0A1 TYR 493 HA -0.05 0.23 0.60 -0.75 4.56 4.59 3fp0A1 TYR 493 HB2 0.00 0.06 -0.09 -0.04 3.06 2.99 3fp0A1 TYR 493 HB3 -0.12 0.02 -0.37 -0.04 2.98 2.47 3fp0A1 TYR 493 HD2 0.11 0.11 -0.42 -0.04 7.15 6.91 3fp0A1 TYR 493 HE2 0.08 0.01 -0.32 -0.04 6.85 6.57 3fp0A1 ASN 494 H 0.15 0.25 0.06 -0.55 8.53 8.45 3fp0A1 ASN 494 HA -0.12 0.31 1.01 -0.75 4.76 5.20 3fp0A1 ASN 494 HB2 -0.02 0.13 -0.14 -0.04 2.88 2.81 3fp0A1 ASN 494 HB3 0.02 -0.03 -0.06 -0.04 2.79 2.69 3fp0A1 ASN 494 HD21 -0.05 0.28 -0.33 -0.04 7.03 6.89 3fp0A1 ASN 494 HD22 -0.05 0.45 0.18 -0.04 7.74 8.28 3fp0A1 ASP 495 H -0.11 0.82 0.22 -0.55 8.40 8.79 3fp0A1 ASP 495 HA 0.26 0.23 0.39 -0.75 4.63 4.76 3fp0A1 ASP 495 HB2 0.12 -0.02 0.16 -0.04 2.71 2.92 3fp0A1 ASP 495 HB3 -0.03 -0.01 0.03 -0.04 2.70 2.64 3fp0A1 ALA 496 H 0.02 -0.00 -0.43 -0.55 8.40 7.45 3fp0A1 ALA 496 HA 0.03 0.11 0.56 -0.75 4.34 4.28 3fp0A1 ALA 496 HB3 0.01 0.03 -0.38 -0.04 1.41 1.03 3fp0A1 ASN 497 H 0.09 0.36 -0.17 -0.55 8.53 8.27 3fp0A1 ASN 497 HA -0.02 0.51 0.41 -0.75 4.76 4.91 3fp0A1 ASN 497 HB2 0.01 -0.02 -0.00 -0.04 2.88 2.82 3fp0A1 ASN 497 HB3 -0.34 0.02 0.00 -0.04 2.79 2.43 3fp0A1 ASN 497 HD21 0.03 0.28 -0.15 -0.04 7.03 7.15 3fp0A1 ASN 497 HD22 0.10 0.74 -0.17 -0.04 7.74 8.37 3fp0A1 TYR 498 H 0.24 0.26 0.00 -0.55 8.29 8.24 3fp0A1 TYR 498 HA 0.06 0.16 0.75 -0.75 4.56 4.77 3fp0A1 TYR 498 HB2 -0.01 -0.06 -0.20 -0.04 3.06 2.75 3fp0A1 TYR 498 HB3 -0.11 -0.06 -0.04 -0.04 2.98 2.72 3fp0A1 TYR 498 HD2 0.06 -0.05 -0.10 -0.04 7.15 7.02 3fp0A1 TYR 498 HE2 -0.03 0.03 -0.30 -0.04 6.85 6.51 3fp0A1 THR 499 H 0.10 0.13 0.09 -0.55 8.28 8.05 3fp0A1 THR 499 HA 0.13 0.29 0.82 -0.75 4.39 4.87 3fp0A1 THR 499 HB 0.05 -0.08 0.11 -0.04 4.32 4.36 3fp0A1 THR 499 HG23 0.05 0.07 -0.02 -0.04 1.22 1.28 3fp0A1 GLU 500 H 0.11 0.24 0.13 -0.55 8.60 8.54 3fp0A1 GLU 500 HA -0.04 0.11 0.40 -0.75 4.29 4.01 3fp0A1 GLU 500 HB2 0.16 0.09 0.12 -0.04 2.09 2.42 3fp0A1 GLU 500 HB3 0.07 0.00 0.09 -0.04 1.99 2.11 3fp0A1 GLU 500 HG2 0.07 -0.05 -0.07 -0.04 2.34 2.25 3fp0A1 GLU 500 HG3 0.18 0.01 0.02 -0.04 2.34 2.51 3fp0A1 ALA 501 H 0.03 0.12 -0.15 -0.55 8.40 7.85 3fp0A1 ALA 501 HA 0.02 0.07 0.20 -0.75 4.34 3.87 3fp0A1 ALA 501 HB3 0.02 0.03 0.05 -0.04 1.41 1.48 3fp0A1 GLU 502 H 0.00 0.06 -0.32 -0.55 8.60 7.80 3fp0A1 GLU 502 HA 0.03 0.10 0.37 -0.75 4.29 4.03 3fp0A1 GLU 502 HB2 0.05 0.09 0.09 -0.04 2.09 2.27 3fp0A1 GLU 502 HB3 0.05 -0.04 0.08 -0.04 1.99 2.03 3fp0A1 GLU 502 HG2 0.04 -0.02 0.11 -0.04 2.34 2.43 3fp0A1 GLU 502 HG3 0.01 0.07 -0.20 -0.04 2.34 2.19 3fp0A1 VAL 503 H -0.16 0.45 -0.22 -0.55 8.24 7.76 3fp0A1 VAL 503 HA -0.10 0.10 0.53 -0.75 4.13 3.91 3fp0A1 VAL 503 HB -0.50 0.03 0.04 -0.04 2.12 1.65 3fp0A1 VAL 503 HG13 -0.14 -0.01 -0.13 -0.04 0.97 0.65 3fp0A1 VAL 503 HG23 -0.70 0.05 -0.13 -0.04 0.95 0.12 3fp0A1 GLN 504 H -0.05 0.71 -0.02 -0.55 8.47 8.56 3fp0A1 GLN 504 HA 0.02 -0.03 0.43 -0.75 4.36 4.03 3fp0A1 GLN 504 HB2 0.01 0.14 0.12 -0.04 2.15 2.38 3fp0A1 GLN 504 HB3 0.02 -0.04 -0.06 -0.04 2.02 1.91 3fp0A1 GLN 504 HG2 0.04 -0.06 0.03 -0.04 2.40 2.36 3fp0A1 GLN 504 HG3 0.02 0.11 0.03 -0.04 2.39 2.52 3fp0A1 GLN 504 HE21 0.03 0.00 -0.03 -0.04 6.97 6.94 3fp0A1 GLN 504 HE22 0.04 -0.01 -0.00 -0.04 7.69 7.67 3fp0A1 LYS 505 H 0.02 0.58 -0.20 -0.55 8.42 8.27 3fp0A1 LYS 505 HA 0.02 -0.02 0.41 -0.75 4.32 3.97 3fp0A1 LYS 505 HB2 0.04 0.00 0.11 -0.04 1.87 1.98 3fp0A1 LYS 505 HB3 0.06 0.15 0.18 -0.04 1.79 2.14 3fp0A1 LYS 505 HG2 0.11 0.05 -0.15 -0.04 1.46 1.43 3fp0A1 LYS 505 HG3 0.05 -0.07 0.01 -0.04 1.46 1.41 3fp0A1 TYR 506 H 0.12 0.47 -0.22 -0.55 8.29 8.11 3fp0A1 TYR 506 HA -0.01 0.05 0.39 -0.75 4.56 4.25 3fp0A1 TYR 506 HB2 -0.12 0.10 0.13 -0.04 3.06 3.12 3fp0A1 TYR 506 HB3 -0.10 0.04 0.17 -0.04 2.98 3.05 3fp0A1 TYR 506 HD2 -0.05 0.01 -0.06 -0.04 7.15 7.01 3fp0A1 TYR 506 HE2 0.01 -0.01 -0.22 -0.04 6.85 6.59 3fp0A1 LEU 507 H 0.03 0.76 -0.03 -0.55 8.37 8.58 3fp0A1 LEU 507 HA -0.17 0.03 0.44 -0.75 4.35 3.89 3fp0A1 LEU 507 HB2 0.02 0.05 0.03 -0.04 1.64 1.69 3fp0A1 LEU 507 HB3 0.01 0.07 0.07 -0.04 1.64 1.75 3fp0A1 LEU 507 HG 0.01 -0.04 -0.27 -0.04 1.64 1.29 3fp0A1 LEU 507 HD13 -0.01 -0.01 -0.08 -0.04 0.93 0.79 3fp0A1 LEU 507 HD23 0.09 -0.00 -0.30 -0.04 0.89 0.63 3fp0A1 GLN 508 H -0.03 0.63 -0.27 -0.55 8.47 8.26 3fp0A1 GLN 508 HA -0.11 0.00 0.40 -0.75 4.36 3.89 3fp0A1 GLN 508 HB2 -0.05 0.19 0.15 -0.04 2.15 2.41 3fp0A1 GLN 508 HB3 -0.09 0.00 -0.01 -0.04 2.02 1.88 3fp0A1 GLN 508 HG2 0.01 0.25 0.04 -0.04 2.40 2.67 3fp0A1 GLN 508 HG3 -0.00 -0.05 -0.03 -0.04 2.39 2.27 3fp0A1 GLN 508 HE21 0.13 0.00 -0.01 -0.04 6.97 7.04 3fp0A1 GLN 508 HE22 0.01 0.02 -0.01 -0.04 7.69 7.67 3fp0A1 SER 509 H -0.08 0.58 -0.14 -0.55 8.46 8.27 3fp0A1 SER 509 HA -0.26 -0.01 0.48 -0.75 4.49 3.94 3fp0A1 SER 509 HB2 0.07 0.06 0.13 -0.04 3.95 4.17 3fp0A1 SER 509 HB3 0.01 0.14 0.19 -0.04 3.93 4.23 3fp0A1 ILE 510 H -0.19 0.57 -0.10 -0.55 8.25 7.97 3fp0A1 ILE 510 HA 0.04 0.07 0.32 -0.75 4.18 3.86 3fp0A1 ILE 510 HB -0.18 0.11 0.13 -0.04 1.89 1.91 3fp0A1 ILE 510 HG12 -0.32 0.02 -0.12 -0.04 1.49 1.03 3fp0A1 ILE 510 HG13 -0.66 0.22 0.06 -0.04 1.21 0.79 3fp0A1 ILE 510 HG23 -0.10 -0.04 -0.20 -0.04 0.93 0.55 3fp0A1 ILE 510 HD13 -0.39 -0.03 -0.08 -0.04 0.88 0.33 3fp0A1 VAL 511 H -0.15 0.59 -0.13 -0.55 8.24 8.00 3fp0A1 VAL 511 HA -0.11 -0.03 0.37 -0.75 4.13 3.60 3fp0A1 VAL 511 HB -0.32 0.07 0.13 -0.04 2.12 1.96 3fp0A1 VAL 511 HG13 -0.43 -0.02 -0.14 -0.04 0.97 0.34 3fp0A1 VAL 511 HG23 -0.46 0.01 -0.01 -0.04 0.95 0.44 3fp0A1 GLU 512 H -0.16 0.67 -0.15 -0.55 8.60 8.41 3fp0A1 GLU 512 HA -0.10 -0.04 0.46 -0.75 4.29 3.85 3fp0A1 GLU 512 HB2 -0.32 0.07 0.14 -0.04 2.09 1.94 3fp0A1 GLU 512 HB3 -0.51 0.10 0.17 -0.04 1.99 1.71 3fp0A1 GLU 512 HG2 -0.17 0.01 -0.11 -0.04 2.34 2.03 3fp0A1 GLU 512 HG3 -0.18 -0.06 0.04 -0.04 2.34 2.11 3fp0A1 PHE 513 H 0.02 0.63 -0.01 -0.55 8.34 8.43 3fp0A1 PHE 513 HA 0.08 0.02 0.51 -0.75 4.62 4.48 3fp0A1 PHE 513 HB2 -0.01 0.14 0.18 -0.04 3.15 3.43 3fp0A1 PHE 513 HB3 -0.04 -0.06 -0.01 -0.04 3.06 2.92 3fp0A1 PHE 513 HD2 -0.02 -0.01 -0.07 -0.04 7.28 7.14 3fp0A1 PHE 513 HE2 -0.20 0.04 -0.32 -0.04 7.38 6.86 3fp0A1 PHE 513 HZ -0.44 0.16 -0.11 -0.04 7.32 6.89 3fp0A1 MET 514 H 0.09 0.52 -0.17 -0.55 8.47 8.36 3fp0A1 MET 514 HA 0.03 0.03 0.34 -0.75 4.52 4.17 3fp0A1 MET 514 HB2 -0.00 0.07 0.10 -0.04 2.15 2.28 3fp0A1 MET 514 HB3 0.01 -0.11 -0.02 -0.04 2.03 1.87 3fp0A1 MET 514 HG2 -0.07 -0.04 -0.14 -0.04 2.63 2.34 3fp0A1 MET 514 HG3 -0.02 0.22 0.03 -0.04 2.56 2.75 3fp0A1 MET 514 HE3 0.00 -0.02 -0.07 -0.04 2.10 1.97 3fp0A1 LEU 515 H 0.03 0.66 -0.06 -0.55 8.37 8.46 3fp0A1 LEU 515 HA 0.06 -0.05 0.50 -0.75 4.35 4.10 3fp0A1 LEU 515 HB2 0.00 0.17 0.21 -0.04 1.64 1.98 3fp0A1 LEU 515 HB3 0.02 -0.05 0.03 -0.04 1.64 1.60 3fp0A1 LEU 515 HG -0.01 0.12 0.07 -0.04 1.64 1.78 3fp0A1 LEU 515 HD13 -0.01 -0.03 -0.05 -0.04 0.93 0.80 3fp0A1 LEU 515 HD23 0.04 -0.04 0.04 -0.04 0.89 0.88 3fp0A1 ALA 516 H 0.11 0.52 -0.21 -0.55 8.40 8.28 3fp0A1 ALA 516 HA 0.08 -0.01 0.43 -0.75 4.34 4.09 3fp0A1 ALA 516 HB3 0.17 0.03 0.11 -0.04 1.41 1.67 3fp0A1 PHE 517 H 0.25 0.34 -0.58 -0.55 8.34 7.79 3fp0A1 PHE 517 HA 0.01 0.02 0.45 -0.75 4.62 4.35 3fp0A1 PHE 517 HB2 0.02 0.06 0.09 -0.04 3.15 3.28 3fp0A1 PHE 517 HB3 0.01 0.01 0.00 -0.04 3.06 3.04 3fp0A1 PHE 517 HD2 -0.01 -0.00 -0.09 -0.04 7.28 7.14 3fp0A1 PHE 517 HE2 -0.05 0.01 -0.10 -0.04 7.38 7.20 3fp0A1 PHE 517 HZ -0.10 -0.00 -0.11 -0.04 7.32 7.07 3fp0A1 ARG 518 H 0.10 0.41 -0.27 -0.55 8.46 8.14 3fp0A1 ARG 518 HA 0.03 -0.08 0.29 -0.75 4.34 3.82 3fp0A1 ARG 518 HB2 0.03 0.12 0.06 -0.04 1.90 2.07 3fp0A1 ARG 518 HB3 0.01 -0.01 -0.00 -0.04 1.80 1.76 3fp0A1 ARG 518 HG2 0.05 -0.13 -0.16 -0.04 1.67 1.39 3fp0A1 ARG 518 HG3 0.07 0.07 0.11 -0.04 1.67 1.88 3fp0A1 ARG 518 HD2 0.03 -0.04 0.02 -0.04 3.22 3.18 3fp0A1 ARG 518 HD3 0.04 -0.10 0.07 -0.04 3.22 3.19 3fp0A1 LEU 519 H -0.03 0.02 0.09 -0.55 8.37 7.91 3fp0A1 LEU 519 HA -0.09 0.20 0.34 -0.75 4.35 4.05 3fp0A1 LEU 519 HB2 -0.03 -0.04 0.10 -0.04 1.64 1.63 3fp0A1 LEU 519 HB3 -0.05 0.01 0.07 -0.04 1.64 1.64 3fp0A1 LEU 519 HG -0.08 -0.02 0.07 -0.04 1.64 1.57 3fp0A1 LEU 519 HD13 -0.03 -0.01 -0.04 -0.04 0.93 0.81 3fp0A1 LEU 519 HD23 -0.12 0.03 -0.00 -0.04 0.89 0.76