============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 84 rings ring int. center anis. iso. TYR 20 0.840 15.882 2.243 45.262 -99.200 -91.000 TYR 52 0.840 21.162 16.178 64.233 -99.200 -91.000 TYR 66 0.840 41.474 14.916 63.880 -99.200 -91.000 PHE 70 1.000 40.022 10.443 66.976 -99.200 -91.000 HIS 76 0.900 30.609 2.340 64.629 -99.200 -91.000 TYR 78 0.840 34.360 -0.386 63.293 -99.200 -91.000 TRP 109 1.040 36.665 20.310 49.141 -99.200 -91.000 TRP6 109 1.020 34.880 18.773 49.320 -99.200 -91.000 HIS 113 0.900 48.564 12.908 38.358 -99.200 -91.000 TRP 120 1.040 39.905 4.113 40.308 -99.200 -91.000 TRP6 120 1.020 38.299 5.071 41.758 -99.200 -91.000 PHE 124 1.000 42.607 -1.518 38.991 -99.200 -91.000 TRP 129 1.040 32.885 4.125 37.803 -99.200 -91.000 TRP6 129 1.020 32.349 5.327 39.760 -99.200 -91.000 TRP 131 1.040 40.432 14.859 36.206 -99.200 -91.000 TRP6 131 1.020 40.658 15.083 38.542 -99.200 -91.000 TYR 137 0.840 28.282 12.126 38.428 -99.200 -91.000 HIS 156 0.900 43.891 29.132 52.348 -99.200 -91.000 TYR 157 0.840 46.251 29.828 42.701 -99.200 -91.000 PHE 158 1.000 38.526 28.963 45.303 -99.200 -91.000 HIS 163 0.900 38.455 24.404 44.533 -99.200 -91.000 HIS 170 0.900 27.053 25.265 52.732 -99.200 -91.000 TYR 180 0.840 45.110 32.315 58.205 -99.200 -91.000 PHE 202 1.000 48.135 20.514 47.556 -99.200 -91.000 HIS 208 0.900 55.250 17.900 42.573 -99.200 -91.000 PHE 213 1.000 45.002 21.672 53.723 -99.200 -91.000 HIS 218 0.900 27.489 25.264 56.763 -99.200 -91.000 TRP 230 1.040 25.220 15.618 51.049 -99.200 -91.000 TRP6 230 1.020 24.627 15.946 48.789 -99.200 -91.000 TYR 235 0.840 13.954 18.206 59.576 -99.200 -91.000 TYR 247 0.840 25.572 -1.644 65.679 -99.200 -91.000 PHE 267 1.000 15.283 -3.064 62.005 -99.200 -91.000 HIS 270 0.900 22.063 -10.227 72.630 -99.200 -91.000 HIS 275 0.900 12.651 -5.561 65.968 -99.200 -91.000 TYR 278 0.840 10.312 -8.317 54.704 -99.200 -91.000 HIS 281 0.900 12.111 -0.318 42.553 -99.200 -91.000 TYR 298 0.840 28.251 -10.937 60.472 -99.200 -91.000 TRP 348 1.040 56.702 18.283 49.851 -99.200 -91.000 TRP6 348 1.020 58.857 18.335 50.798 -99.200 -91.000 PHE 349 1.000 48.598 15.828 48.927 -99.200 -91.000 PHE 352 1.000 59.602 5.567 44.661 -99.200 -91.000 PHE 356 1.000 61.864 5.779 49.063 -99.200 -91.000 TYR 359 0.840 68.978 6.181 51.786 -99.200 -91.000 HIS 364 0.900 62.462 5.234 40.867 -99.200 -91.000 TRP 374 1.040 57.881 -6.511 47.355 -99.200 -91.000 TRP6 374 1.020 58.135 -4.352 46.433 -99.200 -91.000 PHE 384 1.000 43.401 -9.483 44.917 -99.200 -91.000 HIS 385 0.900 40.924 -13.522 44.713 -99.200 -91.000 TYR 394 0.840 51.655 -5.367 44.634 -99.200 -91.000 TYR 397 0.840 49.000 1.427 43.981 -99.200 -91.000 TRP 400 1.040 48.535 5.212 39.102 -99.200 -91.000 TRP6 400 1.020 47.362 4.968 41.138 -99.200 -91.000 HIS 404 0.900 50.517 8.927 34.124 -99.200 -91.000 TYR 408 0.840 56.004 6.181 47.975 -99.200 -91.000 PHE 412 1.000 46.961 18.155 57.609 -99.200 -91.000 PHE 421 1.000 56.095 19.024 58.662 -99.200 -91.000 TRP 424 1.040 48.688 10.193 54.771 -99.200 -91.000 TRP6 424 1.020 48.253 12.110 56.076 -99.200 -91.000 PHE 429 1.000 53.719 -0.816 45.591 -99.200 -91.000 TYR 433 0.840 42.754 -11.300 57.085 -99.200 -91.000 HIS 435 0.900 38.085 -12.869 55.160 -99.200 -91.000 TYR 442 0.840 22.082 -8.470 64.980 -99.200 -91.000 HIS 444 0.900 28.482 -5.406 66.089 -99.200 -91.000 HIS 445 0.900 35.079 -13.174 67.748 -99.200 -91.000 PHE 446 1.000 35.222 -6.322 63.598 -99.200 -91.000 TYR 448 0.840 40.052 -3.100 59.523 -99.200 -91.000 TYR 452 0.840 47.821 -0.518 59.408 -99.200 -91.000 PHE 453 1.000 54.778 0.545 58.928 -99.200 -91.000 TYR 481 0.840 59.455 31.438 61.759 -99.200 -91.000 PHE 482 1.000 64.564 22.411 65.265 -99.200 -91.000 TYR 494 0.840 67.743 17.058 64.713 -99.200 -91.000 TRP 501 1.040 64.277 8.456 60.854 -99.200 -91.000 TRP6 501 1.020 62.356 9.340 61.881 -99.200 -91.000 TYR 504 0.840 60.563 6.445 66.344 -99.200 -91.000 TYR 507 0.840 58.371 -2.033 67.894 -99.200 -91.000 HIS 508 0.900 58.136 4.895 68.755 -99.200 -91.000 PHE 509 1.000 51.724 1.339 62.664 -99.200 -91.000 TYR 513 0.840 42.642 6.673 62.535 -99.200 -91.000 HIS 514 0.900 42.300 8.783 54.105 -99.200 -91.000 TYR 537 0.840 31.186 -8.493 39.445 -99.200 -91.000 HIS 557 0.900 43.766 14.863 53.424 -99.200 -91.000 PHE 562 1.000 35.671 7.336 49.806 -99.200 -91.000 TYR 563 0.840 30.462 14.561 50.676 -99.200 -91.000 TYR 577 0.840 11.849 4.297 40.630 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1cf3A1 GLY 3 HA2 -0.01 0.01 0.18 -0.51 4.01 3.68 1cf3A1 GLY 3 HA3 -0.08 -0.07 0.12 -0.51 4.01 3.47 1cf3A1 ILE 4 H -0.50 0.11 0.07 -0.55 8.25 7.38 1cf3A1 ILE 4 HA -1.34 0.16 0.27 -0.75 4.18 2.51 1cf3A1 ILE 4 HB -1.05 0.08 0.10 -0.04 1.89 0.98 1cf3A1 ILE 4 HG12 -0.64 -0.06 -0.24 -0.04 1.49 0.51 1cf3A1 ILE 4 HG13 -0.56 0.11 -0.01 -0.04 1.21 0.71 1cf3A1 ILE 4 HG23 -0.82 -0.02 0.02 -0.04 0.93 0.07 1cf3A1 ILE 4 HD13 -0.32 -0.00 -0.13 -0.04 0.88 0.39 1cf3A1 GLU 5 H -0.32 0.05 -0.20 -0.55 8.60 7.57 1cf3A1 GLU 5 HA -0.19 -0.02 0.27 -0.75 4.29 3.59 1cf3A1 GLU 5 HB2 -0.09 0.00 0.03 -0.04 2.09 1.99 1cf3A1 GLU 5 HB3 -0.05 0.08 -0.04 -0.04 1.99 1.94 1cf3A1 GLU 5 HG2 -0.15 -0.11 0.01 -0.04 2.34 2.04 1cf3A1 GLU 5 HG3 0.01 0.02 -0.01 -0.04 2.34 2.32 1cf3A1 ALA 6 H -0.10 0.20 -0.28 -0.55 8.40 7.67 1cf3A1 ALA 6 HA -0.03 0.02 0.44 -0.75 4.34 4.01 1cf3A1 ALA 6 HB3 -0.02 0.03 0.07 -0.04 1.41 1.45 1cf3A1 SER 7 H -0.09 0.32 -0.22 -0.55 8.46 7.93 1cf3A1 SER 7 HA 0.02 0.08 0.56 -0.75 4.49 4.40 1cf3A1 SER 7 HB2 0.13 0.06 0.07 -0.04 3.95 4.17 1cf3A1 SER 7 HB3 0.17 -0.05 0.01 -0.04 3.93 4.01 1cf3A1 LEU 8 H -0.08 0.25 -0.21 -0.55 8.37 7.78 1cf3A1 LEU 8 HA -0.02 0.07 0.61 -0.75 4.35 4.26 1cf3A1 LEU 8 HB2 -0.04 0.03 0.07 -0.04 1.64 1.65 1cf3A1 LEU 8 HB3 -0.03 -0.02 0.04 -0.04 1.64 1.60 1cf3A1 LEU 8 HG -0.15 0.25 -0.02 -0.04 1.64 1.68 1cf3A1 LEU 8 HD13 -0.08 -0.07 -0.05 -0.04 0.93 0.69 1cf3A1 LEU 8 HD23 -0.05 -0.02 -0.09 -0.04 0.89 0.68 1cf3A1 LEU 9 H -0.02 0.61 0.41 -0.55 8.37 8.83 1cf3A1 LEU 9 HA -0.01 0.13 0.79 -0.75 4.35 4.50 1cf3A1 LEU 9 HB2 -0.04 -0.09 0.03 -0.04 1.64 1.51 1cf3A1 LEU 9 HB3 -0.02 -0.07 0.04 -0.04 1.64 1.54 1cf3A1 LEU 9 HG -0.01 0.09 0.07 -0.04 1.64 1.75 1cf3A1 LEU 9 HD13 -0.01 -0.01 -0.16 -0.04 0.93 0.70 1cf3A1 LEU 9 HD23 0.00 0.03 -0.04 -0.04 0.89 0.83 1cf3A1 THR 10 H -0.01 -0.03 0.24 -0.55 8.28 7.93 1cf3A1 THR 10 HA -0.01 0.28 0.96 -0.75 4.39 4.86 1cf3A1 THR 10 HB 0.00 0.00 0.05 -0.04 4.32 4.34 1cf3A1 THR 10 HG23 -0.00 0.02 -0.19 -0.04 1.22 1.01 1cf3A1 ASP 11 H -0.01 -0.04 0.18 -0.55 8.40 7.99 1cf3A1 ASP 11 HA 0.00 0.26 0.81 -0.75 4.63 4.95 1cf3A1 ASP 11 HB2 0.00 0.06 0.09 -0.04 2.71 2.82 1cf3A1 ASP 11 HB3 -0.00 -0.02 0.16 -0.04 2.70 2.79 1cf3A1 PRO 12 HA 0.06 0.09 0.19 -0.51 4.44 4.27 1cf3A1 PRO 12 HB2 -0.96 0.04 -0.08 -0.04 2.28 1.24 1cf3A1 PRO 12 HB3 -0.05 0.05 -0.01 -0.04 2.02 1.97 1cf3A1 PRO 12 HG2 -0.08 0.02 0.07 -0.04 2.03 1.99 1cf3A1 PRO 12 HG3 0.04 0.09 0.04 -0.04 2.03 2.17 1cf3A1 PRO 12 HD2 -0.01 0.05 0.27 -0.04 3.68 3.96 1cf3A1 PRO 12 HD3 0.02 0.43 0.26 -0.04 3.65 4.32 1cf3A1 LYS 13 H -0.07 0.12 -0.25 -0.55 8.42 7.67 1cf3A1 LYS 13 HA -0.03 0.09 0.49 -0.75 4.32 4.11 1cf3A1 LYS 13 HB2 -0.01 -0.02 0.02 -0.04 1.87 1.82 1cf3A1 LYS 13 HB3 0.01 0.07 0.06 -0.04 1.79 1.88 1cf3A1 LYS 13 HG2 -0.03 -0.06 0.00 -0.04 1.46 1.33 1cf3A1 LYS 13 HG3 0.02 0.02 0.02 -0.04 1.46 1.47 1cf3A1 LYS 13 HD2 0.03 0.05 0.06 -0.04 1.69 1.79 1cf3A1 LYS 13 HD3 0.06 -0.00 -0.02 -0.04 1.68 1.68 1cf3A1 LYS 13 HE2 0.06 -0.00 0.00 -0.04 2.99 3.01 1cf3A1 LYS 13 HE3 0.03 -0.01 0.01 -0.04 2.99 2.98 1cf3A1 ASP 14 H -0.01 0.42 -0.34 -0.55 8.40 7.92 1cf3A1 ASP 14 HA 0.01 0.12 0.51 -0.75 4.63 4.52 1cf3A1 ASP 14 HB2 -0.00 0.13 0.10 -0.04 2.71 2.89 1cf3A1 ASP 14 HB3 0.00 0.04 0.06 -0.04 2.70 2.77 1cf3A1 VAL 15 H 0.04 0.18 -0.27 -0.55 8.24 7.64 1cf3A1 VAL 15 HA 0.04 0.27 0.96 -0.75 4.13 4.65 1cf3A1 VAL 15 HB 0.03 -0.03 -0.04 -0.04 2.12 2.04 1cf3A1 VAL 15 HG13 -0.04 -0.00 -0.26 -0.04 0.97 0.63 1cf3A1 VAL 15 HG23 0.03 -0.01 -0.26 -0.04 0.95 0.68 1cf3A1 SER 16 H 0.09 0.17 0.08 -0.55 8.46 8.25 1cf3A1 SER 16 HA 0.15 0.08 0.45 -0.75 4.49 4.41 1cf3A1 SER 16 HB2 -0.00 0.10 0.09 -0.04 3.95 4.09 1cf3A1 SER 16 HB3 0.05 0.01 0.13 -0.04 3.93 4.09 1cf3A1 GLY 17 H 0.10 0.62 0.43 -0.55 8.43 9.03 1cf3A1 GLY 17 HA2 0.27 -0.05 0.39 -0.51 4.01 4.10 1cf3A1 GLY 17 HA3 0.13 0.02 0.43 -0.51 4.01 4.09 1cf3A1 ARG 18 H 0.11 0.47 -0.43 -0.55 8.46 8.06 1cf3A1 ARG 18 HA 0.10 0.06 0.53 -0.75 4.34 4.27 1cf3A1 ARG 18 HB2 0.08 0.08 0.04 -0.04 1.90 2.05 1cf3A1 ARG 18 HB3 0.07 -0.04 0.08 -0.04 1.80 1.86 1cf3A1 ARG 18 HG2 0.06 -0.05 -0.05 -0.04 1.67 1.58 1cf3A1 ARG 18 HG3 0.07 0.11 -0.23 -0.04 1.67 1.57 1cf3A1 ARG 18 HD2 0.04 0.01 0.03 -0.04 3.22 3.27 1cf3A1 ARG 18 HD3 0.04 -0.05 0.01 -0.04 3.22 3.18 1cf3A1 THR 19 H 0.08 0.21 0.17 -0.55 8.28 8.19 1cf3A1 THR 19 HA 0.15 0.24 0.99 -0.75 4.39 5.01 1cf3A1 THR 19 HB 0.05 -0.05 0.09 -0.04 4.32 4.38 1cf3A1 THR 19 HG23 0.05 -0.01 -0.26 -0.04 1.22 0.96 1cf3A1 VAL 20 H 0.07 0.64 0.26 -0.55 8.24 8.67 1cf3A1 VAL 20 HA 0.06 0.23 0.95 -0.75 4.13 4.61 1cf3A1 VAL 20 HB 0.06 0.00 -0.13 -0.04 2.12 2.01 1cf3A1 VAL 20 HG13 0.05 0.00 -0.26 -0.04 0.97 0.72 1cf3A1 VAL 20 HG23 0.06 -0.01 -0.28 -0.04 0.95 0.67 1cf3A1 ASP 21 H 0.07 0.23 0.24 -0.55 8.40 8.40 1cf3A1 ASP 21 HA 0.05 -0.04 0.50 -0.75 4.63 4.38 1cf3A1 ASP 21 HB2 0.13 0.27 0.36 -0.04 2.71 3.43 1cf3A1 ASP 21 HB3 -0.09 -0.01 0.07 -0.04 2.70 2.63 1cf3A1 TYR 22 H 0.17 0.57 0.30 -0.55 8.29 8.77 1cf3A1 TYR 22 HA 0.07 0.31 1.10 -0.75 4.56 5.29 1cf3A1 TYR 22 HB2 -0.00 -0.01 0.03 -0.04 3.06 3.03 1cf3A1 TYR 22 HB3 0.01 -0.01 -0.08 -0.04 2.98 2.86 1cf3A1 TYR 22 HD2 -0.01 0.05 -0.09 -0.04 7.15 7.06 1cf3A1 TYR 22 HE2 -0.15 0.02 -0.11 -0.04 6.85 6.57 1cf3A1 ILE 23 H 0.12 0.48 0.28 -0.55 8.25 8.59 1cf3A1 ILE 23 HA 0.06 0.26 0.97 -0.75 4.18 4.72 1cf3A1 ILE 23 HB 0.06 -0.04 0.04 -0.04 1.89 1.90 1cf3A1 ILE 23 HG12 0.03 0.02 -0.18 -0.04 1.49 1.32 1cf3A1 ILE 23 HG13 0.05 0.01 -0.44 -0.04 1.21 0.79 1cf3A1 ILE 23 HG23 0.03 -0.02 -0.29 -0.04 0.93 0.61 1cf3A1 ILE 23 HD13 0.04 -0.00 -0.41 -0.04 0.88 0.46 1cf3A1 ILE 24 H 0.03 0.76 0.27 -0.55 8.25 8.76 1cf3A1 ILE 24 HA 0.03 0.28 1.03 -0.75 4.18 4.76 1cf3A1 ILE 24 HB 0.01 -0.04 0.05 -0.04 1.89 1.87 1cf3A1 ILE 24 HG12 0.00 0.01 -0.18 -0.04 1.49 1.28 1cf3A1 ILE 24 HG13 0.04 -0.00 -0.39 -0.04 1.21 0.82 1cf3A1 ILE 24 HG23 -0.01 -0.00 -0.21 -0.04 0.93 0.67 1cf3A1 ILE 24 HD13 -0.03 0.02 -0.17 -0.04 0.88 0.66 1cf3A1 ALA 25 H 0.02 0.59 0.24 -0.55 8.40 8.70 1cf3A1 ALA 25 HA 0.01 0.15 0.79 -0.75 4.34 4.54 1cf3A1 ALA 25 HB3 0.04 -0.01 0.10 -0.04 1.41 1.49 1cf3A1 GLY 26 H 0.00 0.68 0.24 -0.55 8.43 8.81 1cf3A1 GLY 26 HA2 0.01 -0.08 0.42 -0.51 4.01 3.86 1cf3A1 GLY 26 HA3 0.01 0.13 0.55 -0.51 4.01 4.19 1cf3A1 GLY 27 H 0.02 0.09 0.07 -0.55 8.43 8.06 1cf3A1 GLY 27 HA2 0.03 0.26 0.45 -0.51 4.01 4.23 1cf3A1 GLY 27 HA3 0.03 0.06 0.25 -0.51 4.01 3.84 1cf3A1 GLY 28 H 0.03 0.28 -0.34 -0.55 8.43 7.85 1cf3A1 GLY 28 HA2 0.07 0.05 0.36 -0.51 4.01 3.98 1cf3A1 GLY 28 HA3 0.06 0.01 0.25 -0.51 4.01 3.82 1cf3A1 LEU 29 H 0.06 0.09 0.08 -0.55 8.37 8.05 1cf3A1 LEU 29 HA 0.09 0.11 0.34 -0.75 4.35 4.14 1cf3A1 LEU 29 HB2 0.02 -0.03 0.16 -0.04 1.64 1.75 1cf3A1 LEU 29 HB3 0.01 -0.10 0.15 -0.04 1.64 1.66 1cf3A1 LEU 29 HG -0.58 0.06 -0.01 -0.04 1.64 1.07 1cf3A1 LEU 29 HD13 -0.23 0.01 -0.00 -0.04 0.93 0.67 1cf3A1 LEU 29 HD23 -0.35 0.01 -0.45 -0.04 0.89 0.05 1cf3A1 THR 30 H -0.02 -0.00 -0.03 -0.55 8.28 7.68 1cf3A1 THR 30 HA -0.10 0.20 0.46 -0.75 4.39 4.20 1cf3A1 THR 30 HB -0.10 0.22 0.00 -0.04 4.32 4.41 1cf3A1 THR 30 HG23 -0.11 0.03 0.08 -0.04 1.22 1.18 1cf3A1 GLY 31 H -0.03 -0.08 -0.29 -0.55 8.43 7.49 1cf3A1 GLY 31 HA2 -0.04 0.10 0.25 -0.51 4.01 3.81 1cf3A1 GLY 31 HA3 -0.01 0.25 0.25 -0.51 4.01 3.98 1cf3A1 LEU 32 H 0.00 0.49 -0.30 -0.55 8.37 8.02 1cf3A1 LEU 32 HA 0.02 0.10 0.30 -0.75 4.35 4.02 1cf3A1 LEU 32 HB2 0.11 0.04 -0.12 -0.04 1.64 1.63 1cf3A1 LEU 32 HB3 0.17 0.04 -0.19 -0.04 1.64 1.63 1cf3A1 LEU 32 HG 0.07 -0.04 -0.36 -0.04 1.64 1.28 1cf3A1 LEU 32 HD13 0.16 -0.06 -0.21 -0.04 0.93 0.77 1cf3A1 LEU 32 HD23 0.08 0.02 -0.16 -0.04 0.89 0.78 1cf3A1 THR 33 H -0.21 0.30 -0.28 -0.55 8.28 7.55 1cf3A1 THR 33 HA -1.24 0.08 0.38 -0.75 4.39 2.85 1cf3A1 THR 33 HB -0.33 0.01 0.15 -0.04 4.32 4.11 1cf3A1 THR 33 HG23 -0.90 0.02 -0.08 -0.04 1.22 0.22 1cf3A1 THR 34 H -0.19 0.50 -0.18 -0.55 8.28 7.86 1cf3A1 THR 34 HA -0.15 0.04 0.27 -0.75 4.39 3.79 1cf3A1 THR 34 HB -0.09 0.07 0.05 -0.04 4.32 4.31 1cf3A1 THR 34 HG23 -0.12 -0.01 -0.16 -0.04 1.22 0.89 1cf3A1 ALA 35 H -0.06 0.51 -0.18 -0.55 8.40 8.13 1cf3A1 ALA 35 HA -0.04 0.01 0.25 -0.75 4.34 3.80 1cf3A1 ALA 35 HB3 0.02 -0.01 -0.05 -0.04 1.41 1.33 1cf3A1 ALA 36 H 0.03 0.53 -0.25 -0.55 8.40 8.16 1cf3A1 ALA 36 HA 0.11 0.06 0.33 -0.75 4.34 4.08 1cf3A1 ALA 36 HB3 0.33 0.02 0.06 -0.04 1.41 1.78 1cf3A1 ARG 37 H -0.03 0.49 -0.16 -0.55 8.46 8.21 1cf3A1 ARG 37 HA 0.08 0.02 0.37 -0.75 4.34 4.05 1cf3A1 ARG 37 HB2 -0.04 -0.02 0.05 -0.04 1.90 1.86 1cf3A1 ARG 37 HB3 -0.08 0.04 0.12 -0.04 1.80 1.84 1cf3A1 ARG 37 HG2 -0.02 -0.06 -0.04 -0.04 1.67 1.51 1cf3A1 ARG 37 HG3 -0.03 0.02 -0.24 -0.04 1.67 1.38 1cf3A1 ARG 37 HD2 0.04 -0.03 -0.05 -0.04 3.22 3.15 1cf3A1 ARG 37 HD3 0.07 0.03 0.07 -0.04 3.22 3.34 1cf3A1 LEU 38 H -0.07 0.65 -0.12 -0.55 8.37 8.29 1cf3A1 LEU 38 HA -0.13 -0.01 0.27 -0.75 4.35 3.73 1cf3A1 LEU 38 HB2 -0.13 0.10 0.01 -0.04 1.64 1.58 1cf3A1 LEU 38 HB3 -0.22 -0.04 -0.09 -0.04 1.64 1.25 1cf3A1 LEU 38 HG -0.20 0.09 -0.02 -0.04 1.64 1.47 1cf3A1 LEU 38 HD13 -0.55 -0.03 -0.15 -0.04 0.93 0.17 1cf3A1 LEU 38 HD23 -0.29 -0.02 -0.07 -0.04 0.89 0.48 1cf3A1 THR 39 H -0.01 0.42 -0.34 -0.55 8.28 7.79 1cf3A1 THR 39 HA -0.03 0.24 0.55 -0.75 4.39 4.40 1cf3A1 THR 39 HB 0.01 -0.09 0.02 -0.04 4.32 4.22 1cf3A1 THR 39 HG23 0.01 0.02 -0.12 -0.04 1.22 1.09 1cf3A1 GLU 40 H -0.00 0.34 -0.50 -0.55 8.60 7.89 1cf3A1 GLU 40 HA 0.02 0.02 0.42 -0.75 4.29 3.99 1cf3A1 GLU 40 HB2 0.02 0.25 0.15 -0.04 2.09 2.47 1cf3A1 GLU 40 HB3 0.02 -0.11 0.01 -0.04 1.99 1.87 1cf3A1 GLU 40 HG2 0.04 -0.08 0.04 -0.04 2.34 2.30 1cf3A1 GLU 40 HG3 0.06 0.15 0.01 -0.04 2.34 2.52 1cf3A1 ASN 41 H -0.03 0.25 -0.20 -0.55 8.53 8.00 1cf3A1 ASN 41 HA 0.00 0.08 0.62 -0.75 4.76 4.70 1cf3A1 ASN 41 HB2 -0.03 -0.00 0.09 -0.04 2.88 2.89 1cf3A1 ASN 41 HB3 -0.09 0.12 0.19 -0.04 2.79 2.97 1cf3A1 ASN 41 HD21 0.11 -0.01 -0.02 -0.04 7.03 7.07 1cf3A1 ASN 41 HD22 0.02 0.03 0.00 -0.04 7.74 7.75 1cf3A1 PRO 42 HA 0.01 0.17 0.30 -0.51 4.44 4.40 1cf3A1 PRO 42 HB2 0.02 -0.01 0.00 -0.04 2.28 2.25 1cf3A1 PRO 42 HB3 0.01 0.03 0.11 -0.04 2.02 2.14 1cf3A1 PRO 42 HG2 0.02 -0.04 0.07 -0.04 2.03 2.04 1cf3A1 PRO 42 HG3 0.01 0.02 0.10 -0.04 2.03 2.12 1cf3A1 PRO 42 HD2 0.02 -0.01 0.28 -0.04 3.68 3.92 1cf3A1 PRO 42 HD3 0.01 0.42 0.31 -0.04 3.65 4.35 1cf3A1 ASN 43 H 0.02 0.02 -0.41 -0.55 8.53 7.62 1cf3A1 ASN 43 HA 0.05 0.10 0.53 -0.75 4.76 4.70 1cf3A1 ASN 43 HB2 0.10 0.00 -0.05 -0.04 2.88 2.90 1cf3A1 ASN 43 HB3 0.13 -0.00 0.03 -0.04 2.79 2.91 1cf3A1 ASN 43 HD21 0.06 -0.01 -0.02 -0.04 7.03 7.02 1cf3A1 ASN 43 HD22 0.08 0.02 -0.02 -0.04 7.74 7.78 1cf3A1 ILE 44 H -0.03 0.42 -0.18 -0.55 8.25 7.90 1cf3A1 ILE 44 HA -0.00 0.03 0.80 -0.75 4.18 4.25 1cf3A1 ILE 44 HB -0.13 0.25 0.12 -0.04 1.89 2.10 1cf3A1 ILE 44 HG12 -0.98 -0.02 -0.05 -0.04 1.49 0.41 1cf3A1 ILE 44 HG13 -0.36 -0.14 -0.14 -0.04 1.21 0.53 1cf3A1 ILE 44 HG23 0.01 -0.04 -0.21 -0.04 0.93 0.65 1cf3A1 ILE 44 HD13 -0.50 -0.00 0.03 -0.04 0.88 0.36 1cf3A1 SER 45 H 0.07 0.05 0.25 -0.55 8.46 8.29 1cf3A1 SER 45 HA 0.04 0.40 0.98 -0.75 4.49 5.16 1cf3A1 SER 45 HB2 0.05 0.10 0.13 -0.04 3.95 4.19 1cf3A1 SER 45 HB3 0.05 0.09 0.10 -0.04 3.93 4.13 1cf3A1 VAL 46 H 0.05 0.91 0.41 -0.55 8.24 9.05 1cf3A1 VAL 46 HA 0.11 0.20 1.12 -0.75 4.13 4.80 1cf3A1 VAL 46 HB 0.03 0.08 0.10 -0.04 2.12 2.29 1cf3A1 VAL 46 HG13 0.03 -0.05 -0.30 -0.04 0.97 0.62 1cf3A1 VAL 46 HG23 0.03 -0.00 -0.26 -0.04 0.95 0.68 1cf3A1 LEU 47 H 0.06 0.59 0.31 -0.55 8.37 8.78 1cf3A1 LEU 47 HA 0.01 0.35 1.08 -0.75 4.35 5.03 1cf3A1 LEU 47 HB2 0.01 0.05 -0.10 -0.04 1.64 1.57 1cf3A1 LEU 47 HB3 0.02 -0.04 0.06 -0.04 1.64 1.64 1cf3A1 LEU 47 HG -0.05 -0.07 -0.61 -0.04 1.64 0.87 1cf3A1 LEU 47 HD13 -0.05 0.03 -0.22 -0.04 0.93 0.66 1cf3A1 LEU 47 HD23 -0.06 -0.01 -0.21 -0.04 0.89 0.56 1cf3A1 VAL 48 H -0.00 0.76 0.34 -0.55 8.24 8.78 1cf3A1 VAL 48 HA -0.00 0.19 0.88 -0.75 4.13 4.45 1cf3A1 VAL 48 HB 0.01 -0.02 0.12 -0.04 2.12 2.19 1cf3A1 VAL 48 HG13 0.01 -0.03 -0.37 -0.04 0.97 0.54 1cf3A1 VAL 48 HG23 0.02 0.03 -0.16 -0.04 0.95 0.80 1cf3A1 ILE 49 H -0.03 0.56 0.25 -0.55 8.25 8.49 1cf3A1 ILE 49 HA -0.11 0.30 0.94 -0.75 4.18 4.56 1cf3A1 ILE 49 HB -0.05 -0.13 0.09 -0.04 1.89 1.76 1cf3A1 ILE 49 HG12 -0.29 0.07 -0.25 -0.04 1.49 0.98 1cf3A1 ILE 49 HG13 -0.11 0.01 -0.36 -0.04 1.21 0.71 1cf3A1 ILE 49 HG23 -0.18 0.03 -0.29 -0.04 0.93 0.45 1cf3A1 ILE 49 HD13 -0.25 -0.00 -0.23 -0.04 0.88 0.36 1cf3A1 GLU 50 H -0.06 0.87 0.29 -0.55 8.60 9.15 1cf3A1 GLU 50 HA -0.03 -0.08 0.96 -0.75 4.29 4.39 1cf3A1 GLU 50 HB2 0.00 -0.11 -0.06 -0.04 2.09 1.88 1cf3A1 GLU 50 HB3 -0.01 0.24 0.05 -0.04 1.99 2.23 1cf3A1 GLU 50 HG2 0.02 -0.01 -0.32 -0.04 2.34 1.99 1cf3A1 GLU 50 HG3 -0.02 0.15 -0.39 -0.04 2.34 2.04 1cf3A1 SER 51 H -0.09 0.01 0.16 -0.55 8.46 7.99 1cf3A1 SER 51 HA -0.31 0.25 0.33 -0.75 4.49 4.01 1cf3A1 SER 51 HB2 -0.91 0.10 -0.06 -0.04 3.95 3.05 1cf3A1 SER 51 HB3 -0.87 0.03 0.02 -0.04 3.93 3.06 1cf3A1 GLY 52 H -0.05 -0.16 -0.17 -0.55 8.43 7.51 1cf3A1 GLY 52 HA2 -0.06 0.30 0.47 -0.51 4.01 4.21 1cf3A1 GLY 52 HA3 -0.05 -0.04 0.02 -0.51 4.01 3.42 1cf3A1 SER 53 H -0.02 0.22 0.10 -0.55 8.46 8.22 1cf3A1 SER 53 HA 0.03 0.20 0.69 -0.75 4.49 4.65 1cf3A1 SER 53 HB2 0.00 0.11 -0.23 -0.04 3.95 3.79 1cf3A1 SER 53 HB3 0.01 0.07 -0.01 -0.04 3.93 3.96 1cf3A1 TYR 54 H 0.13 0.26 0.12 -0.55 8.29 8.25 1cf3A1 TYR 54 HA -0.01 -0.01 0.66 -0.75 4.56 4.44 1cf3A1 TYR 54 HB2 -0.04 0.09 0.07 -0.04 3.06 3.15 1cf3A1 TYR 54 HB3 -0.04 0.08 0.14 -0.04 2.98 3.12 1cf3A1 TYR 54 HD2 -0.03 0.06 -0.05 -0.04 7.15 7.09 1cf3A1 TYR 54 HE2 -0.03 0.06 -0.08 -0.04 6.85 6.76 1cf3A1 GLU 55 H -0.43 0.08 0.26 -0.55 8.60 7.97 1cf3A1 GLU 55 HA -0.21 0.29 0.94 -0.75 4.29 4.56 1cf3A1 GLU 55 HB2 -0.13 0.02 -0.05 -0.04 2.09 1.89 1cf3A1 GLU 55 HB3 -0.11 0.02 0.07 -0.04 1.99 1.92 1cf3A1 GLU 55 HG2 -0.07 0.04 -0.28 -0.04 2.34 1.99 1cf3A1 GLU 55 HG3 -0.06 0.06 -0.06 -0.04 2.34 2.24 1cf3A1 SER 56 H -1.09 0.03 0.11 -0.55 8.46 6.97 1cf3A1 SER 56 HA -0.19 0.14 0.24 -0.75 4.49 3.92 1cf3A1 SER 56 HB2 -0.33 0.03 0.03 -0.04 3.95 3.64 1cf3A1 SER 56 HB3 -0.08 0.10 0.03 -0.04 3.93 3.94 1cf3A1 ASP 57 H -0.37 0.05 -0.30 -0.55 8.40 7.23 1cf3A1 ASP 57 HA -0.06 0.21 0.79 -0.75 4.63 4.82 1cf3A1 ASP 57 HB2 0.02 0.07 0.12 -0.04 2.71 2.87 1cf3A1 ASP 57 HB3 0.08 -0.02 -0.01 -0.04 2.70 2.71 1cf3A1 ARG 58 H -0.13 0.44 -0.34 -0.55 8.46 7.87 1cf3A1 ARG 58 HA -0.05 0.06 0.36 -0.75 4.34 3.95 1cf3A1 ARG 58 HB2 -0.09 0.01 0.13 -0.04 1.90 1.90 1cf3A1 ARG 58 HB3 -0.07 -0.02 0.09 -0.04 1.80 1.76 1cf3A1 ARG 58 HG2 -0.04 -0.05 -0.27 -0.04 1.67 1.26 1cf3A1 ARG 58 HG3 -0.04 0.02 0.02 -0.04 1.67 1.63 1cf3A1 ARG 58 HD2 -0.06 0.00 -0.06 -0.04 3.22 3.07 1cf3A1 ARG 58 HD3 -0.04 -0.00 -0.06 -0.04 3.22 3.07 1cf3A1 GLY 59 H -0.05 0.18 -0.08 -0.55 8.43 7.94 1cf3A1 GLY 59 HA2 -0.03 0.12 0.26 -0.51 4.01 3.84 1cf3A1 GLY 59 HA3 -0.03 0.18 0.61 -0.51 4.01 4.26 1cf3A1 PRO 60 HA -0.02 0.01 0.35 -0.51 4.44 4.26 1cf3A1 PRO 60 HB2 -0.02 0.08 0.04 -0.04 2.28 2.33 1cf3A1 PRO 60 HB3 -0.02 0.05 0.09 -0.04 2.02 2.10 1cf3A1 PRO 60 HG2 -0.02 0.10 0.08 -0.04 2.03 2.14 1cf3A1 PRO 60 HG3 -0.02 0.06 0.07 -0.04 2.03 2.10 1cf3A1 PRO 60 HD2 -0.03 0.15 0.18 -0.04 3.68 3.95 1cf3A1 PRO 60 HD3 -0.03 0.17 0.23 -0.04 3.65 3.99 1cf3A1 ILE 61 H -0.03 0.12 -0.35 -0.55 8.25 7.43 1cf3A1 ILE 61 HA -0.04 0.11 0.27 -0.75 4.18 3.76 1cf3A1 ILE 61 HB -0.04 0.00 0.01 -0.04 1.89 1.82 1cf3A1 ILE 61 HG12 -0.07 -0.03 -0.08 -0.04 1.49 1.27 1cf3A1 ILE 61 HG13 -0.07 0.02 -0.01 -0.04 1.21 1.11 1cf3A1 ILE 61 HG23 -0.05 -0.00 -0.18 -0.04 0.93 0.66 1cf3A1 ILE 61 HD13 -0.06 0.03 -0.16 -0.04 0.88 0.65 1cf3A1 ILE 62 H -0.04 0.21 -0.30 -0.55 8.25 7.57 1cf3A1 ILE 62 HA -0.02 0.25 0.83 -0.75 4.18 4.49 1cf3A1 ILE 62 HB -0.06 -0.05 0.15 -0.04 1.89 1.89 1cf3A1 ILE 62 HG12 -0.06 -0.10 -0.15 -0.04 1.49 1.14 1cf3A1 ILE 62 HG13 -0.08 0.07 -0.00 -0.04 1.21 1.16 1cf3A1 ILE 62 HG23 -0.05 0.01 -0.11 -0.04 0.93 0.74 1cf3A1 ILE 62 HD13 -0.04 0.03 -0.11 -0.04 0.88 0.72 1cf3A1 GLU 63 H -0.03 0.42 0.16 -0.55 8.60 8.61 1cf3A1 GLU 63 HA -0.02 0.06 0.42 -0.75 4.29 4.00 1cf3A1 GLU 63 HB2 -0.03 -0.04 -0.12 -0.04 2.09 1.85 1cf3A1 GLU 63 HB3 -0.04 -0.05 0.06 -0.04 1.99 1.92 1cf3A1 GLU 63 HG2 -0.06 0.05 0.12 -0.04 2.34 2.41 1cf3A1 GLU 63 HG3 -0.06 -0.05 0.11 -0.04 2.34 2.30 1cf3A1 ASP 64 H -0.01 0.55 -0.10 -0.55 8.40 8.30 1cf3A1 ASP 64 HA 0.01 0.23 0.96 -0.75 4.63 5.07 1cf3A1 ASP 64 HB2 -0.01 -0.03 0.06 -0.04 2.71 2.69 1cf3A1 ASP 64 HB3 -0.00 0.13 0.17 -0.04 2.70 2.95 1cf3A1 LEU 65 H 0.04 0.27 0.15 -0.55 8.37 8.28 1cf3A1 LEU 65 HA 0.08 0.18 0.26 -0.75 4.35 4.12 1cf3A1 LEU 65 HB2 0.08 -0.05 0.03 -0.04 1.64 1.65 1cf3A1 LEU 65 HB3 0.09 0.06 0.04 -0.04 1.64 1.79 1cf3A1 LEU 65 HG 0.06 0.04 0.01 -0.04 1.64 1.71 1cf3A1 LEU 65 HD13 0.10 0.03 -0.14 -0.04 0.93 0.88 1cf3A1 LEU 65 HD23 0.08 0.02 -0.11 -0.04 0.89 0.84 1cf3A1 ASN 66 H 0.04 0.06 -0.33 -0.55 8.53 7.75 1cf3A1 ASN 66 HA 0.08 0.11 0.46 -0.75 4.76 4.66 1cf3A1 ASN 66 HB2 0.02 0.01 -0.00 -0.04 2.88 2.87 1cf3A1 ASN 66 HB3 0.03 0.04 0.08 -0.04 2.79 2.90 1cf3A1 ASN 66 HD21 0.02 -0.03 -0.02 -0.04 7.03 6.96 1cf3A1 ASN 66 HD22 0.02 0.04 0.02 -0.04 7.74 7.77 1cf3A1 ALA 67 H 0.03 0.43 -0.41 -0.55 8.40 7.90 1cf3A1 ALA 67 HA -0.01 0.14 0.62 -0.75 4.34 4.33 1cf3A1 ALA 67 HB3 -0.02 0.02 0.02 -0.04 1.41 1.39 1cf3A1 TYR 68 H 0.14 0.32 -0.49 -0.55 8.29 7.70 1cf3A1 TYR 68 HA -0.10 0.00 0.32 -0.75 4.56 4.03 1cf3A1 TYR 68 HB2 0.01 0.16 0.11 -0.04 3.06 3.30 1cf3A1 TYR 68 HB3 -0.01 -0.01 0.05 -0.04 2.98 2.97 1cf3A1 TYR 68 HD2 0.00 0.09 -0.18 -0.04 7.15 7.02 1cf3A1 TYR 68 HE2 0.12 0.01 -0.02 -0.04 6.85 6.92 1cf3A1 GLY 69 H -0.85 0.12 0.16 -0.55 8.43 7.31 1cf3A1 GLY 69 HA2 -2.14 -0.06 0.37 -0.51 4.01 1.67 1cf3A1 GLY 69 HA3 -0.80 0.22 0.67 -0.51 4.01 3.59 1cf3A1 ASP 70 H -0.31 0.67 -0.19 -0.55 8.40 8.02 1cf3A1 ASP 70 HA -0.18 0.09 0.37 -0.75 4.63 4.16 1cf3A1 ASP 70 HB2 -0.13 0.10 0.14 -0.04 2.71 2.78 1cf3A1 ASP 70 HB3 -0.10 -0.07 0.01 -0.04 2.70 2.50 1cf3A1 ILE 71 H -0.27 0.11 -0.16 -0.55 8.25 7.38 1cf3A1 ILE 71 HA -0.08 0.07 0.39 -0.75 4.18 3.82 1cf3A1 ILE 71 HB -0.09 0.15 0.03 -0.04 1.89 1.93 1cf3A1 ILE 71 HG12 -0.03 0.00 -0.14 -0.04 1.49 1.29 1cf3A1 ILE 71 HG13 -0.03 -0.13 -0.04 -0.04 1.21 0.98 1cf3A1 ILE 71 HG23 -0.08 -0.03 -0.22 -0.04 0.93 0.56 1cf3A1 ILE 71 HD13 -0.05 0.00 -0.09 -0.04 0.88 0.71 1cf3A1 PHE 72 H -0.28 0.35 -0.47 -0.55 8.34 7.39 1cf3A1 PHE 72 HA -0.13 -0.10 0.33 -0.75 4.62 3.96 1cf3A1 PHE 72 HB2 -0.12 0.17 0.10 -0.04 3.15 3.25 1cf3A1 PHE 72 HB3 -0.13 -0.04 0.04 -0.04 3.06 2.88 1cf3A1 PHE 72 HD2 -0.16 -0.00 -0.05 -0.04 7.28 7.02 1cf3A1 PHE 72 HE2 -0.18 0.04 -0.01 -0.04 7.38 7.19 1cf3A1 PHE 72 HZ -0.25 0.02 -0.01 -0.04 7.32 7.04 1cf3A1 GLY 73 H 0.00 0.05 0.16 -0.55 8.43 8.10 1cf3A1 GLY 73 HA2 -0.03 0.01 0.31 -0.51 4.01 3.79 1cf3A1 GLY 73 HA3 0.00 0.15 0.44 -0.51 4.01 4.10 1cf3A1 SER 74 H -0.01 0.30 -0.29 -0.55 8.46 7.91 1cf3A1 SER 74 HA -0.03 0.19 0.63 -0.75 4.49 4.53 1cf3A1 SER 74 HB2 -0.03 -0.11 0.15 -0.04 3.95 3.92 1cf3A1 SER 74 HB3 -0.03 0.16 0.01 -0.04 3.93 4.03 1cf3A1 SER 75 H -0.04 0.15 0.15 -0.55 8.46 8.18 1cf3A1 SER 75 HA -0.07 0.22 0.26 -0.75 4.49 4.15 1cf3A1 SER 75 HB2 -0.04 0.03 0.13 -0.04 3.95 4.02 1cf3A1 SER 75 HB3 -0.03 0.04 0.11 -0.04 3.93 4.01 1cf3A1 VAL 76 H -0.06 0.05 -0.37 -0.55 8.24 7.31 1cf3A1 VAL 76 HA -0.11 0.31 0.63 -0.75 4.13 4.20 1cf3A1 VAL 76 HB -0.04 0.06 -0.03 -0.04 2.12 2.06 1cf3A1 VAL 76 HG13 -0.04 -0.00 -0.03 -0.04 0.97 0.86 1cf3A1 VAL 76 HG23 -0.05 -0.00 -0.05 -0.04 0.95 0.80 1cf3A1 ASP 77 H -0.10 0.56 -0.43 -0.55 8.40 7.88 1cf3A1 ASP 77 HA -0.11 0.12 0.87 -0.75 4.63 4.76 1cf3A1 ASP 77 HB2 0.01 0.05 -0.10 -0.04 2.71 2.62 1cf3A1 ASP 77 HB3 -0.06 0.12 0.14 -0.04 2.70 2.86 1cf3A1 HIS 78 H -0.16 0.62 0.19 -0.55 8.41 8.52 1cf3A1 HIS 78 HA -0.22 0.15 0.27 -0.75 4.63 4.08 1cf3A1 HIS 78 HB2 -0.82 -0.08 0.02 -0.04 3.26 2.34 1cf3A1 HIS 78 HB3 -1.22 0.03 -0.07 -0.04 3.20 1.90 1cf3A1 HIS 78 HD2 -0.05 0.05 -0.42 -0.04 6.97 6.51 1cf3A1 HIS 78 HE1 0.10 -0.02 -0.05 -0.04 7.75 7.75 1cf3A1 ALA 79 H -0.25 -0.14 -0.20 -0.55 8.40 7.27 1cf3A1 ALA 79 HA -0.19 -0.04 0.09 -0.75 4.34 3.44 1cf3A1 ALA 79 HB3 -0.11 0.02 -0.12 -0.04 1.41 1.17 1cf3A1 TYR 80 H -0.27 0.18 -0.06 -0.55 8.29 7.59 1cf3A1 TYR 80 HA 0.10 0.16 0.46 -0.75 4.56 4.53 1cf3A1 TYR 80 HB2 -0.17 -0.11 0.08 -0.04 3.06 2.81 1cf3A1 TYR 80 HB3 0.04 0.08 -0.06 -0.04 2.98 3.00 1cf3A1 TYR 80 HD2 0.05 0.06 -0.05 -0.04 7.15 7.17 1cf3A1 TYR 80 HE2 -0.12 -0.03 -0.07 -0.04 6.85 6.58 1cf3A1 GLU 81 H 0.13 0.18 0.25 -0.55 8.60 8.61 1cf3A1 GLU 81 HA 0.05 0.20 0.96 -0.75 4.29 4.73 1cf3A1 GLU 81 HB2 0.01 0.03 0.15 -0.04 2.09 2.24 1cf3A1 GLU 81 HB3 -0.02 -0.00 0.16 -0.04 1.99 2.08 1cf3A1 GLU 81 HG2 0.02 0.21 0.02 -0.04 2.34 2.55 1cf3A1 GLU 81 HG3 0.01 -0.04 0.00 -0.04 2.34 2.27 1cf3A1 THR 82 H 0.08 0.48 0.38 -0.55 8.28 8.67 1cf3A1 THR 82 HA 0.21 0.08 0.74 -0.75 4.39 4.66 1cf3A1 THR 82 HB 0.15 0.07 0.31 -0.04 4.32 4.80 1cf3A1 THR 82 HG23 0.26 0.01 0.03 -0.04 1.22 1.47 1cf3A1 VAL 83 H 0.07 0.37 0.24 -0.55 8.24 8.36 1cf3A1 VAL 83 HA 0.03 0.10 0.54 -0.75 4.13 4.05 1cf3A1 VAL 83 HB 0.03 0.00 0.05 -0.04 2.12 2.17 1cf3A1 VAL 83 HG13 0.03 0.01 -0.04 -0.04 0.97 0.93 1cf3A1 VAL 83 HG23 -0.01 0.02 -0.30 -0.04 0.95 0.63 1cf3A1 GLU 84 H 0.03 0.11 0.06 -0.55 8.60 8.26 1cf3A1 GLU 84 HA 0.04 0.09 0.08 -0.75 4.29 3.74 1cf3A1 GLU 84 HB2 0.03 0.02 -0.00 -0.04 2.09 2.09 1cf3A1 GLU 84 HB3 0.04 -0.04 0.11 -0.04 1.99 2.05 1cf3A1 GLU 84 HG2 0.04 -0.02 -0.32 -0.04 2.34 2.00 1cf3A1 GLU 84 HG3 0.04 0.03 -0.45 -0.04 2.34 1.91 1cf3A1 LEU 85 H 0.06 0.80 0.27 -0.55 8.37 8.96 1cf3A1 LEU 85 HA 0.05 0.03 0.44 -0.75 4.35 4.13 1cf3A1 LEU 85 HB2 0.12 -0.03 0.13 -0.04 1.64 1.82 1cf3A1 LEU 85 HB3 0.16 -0.14 0.05 -0.04 1.64 1.67 1cf3A1 LEU 85 HG 0.11 0.28 0.19 -0.04 1.64 2.18 1cf3A1 LEU 85 HD13 0.31 -0.01 -0.04 -0.04 0.93 1.15 1cf3A1 LEU 85 HD23 0.13 -0.04 0.02 -0.04 0.89 0.96 1cf3A1 ALA 86 H 0.04 0.13 0.16 -0.55 8.40 8.19 1cf3A1 ALA 86 HA 0.05 0.14 0.42 -0.75 4.34 4.19 1cf3A1 ALA 86 HB3 0.04 0.02 0.07 -0.04 1.41 1.50 1cf3A1 THR 87 H 0.09 0.01 -0.24 -0.55 8.28 7.59 1cf3A1 THR 87 HA 0.05 0.12 0.34 -0.75 4.39 4.14 1cf3A1 THR 87 HB 0.13 0.13 0.01 -0.04 4.32 4.55 1cf3A1 THR 87 HG23 0.23 -0.03 -0.13 -0.04 1.22 1.25 1cf3A1 ASN 88 H 0.06 -0.02 -0.32 -0.55 8.53 7.70 1cf3A1 ASN 88 HA -0.05 0.24 0.82 -0.75 4.76 5.01 1cf3A1 ASN 88 HB2 -0.16 0.01 0.05 -0.04 2.88 2.74 1cf3A1 ASN 88 HB3 -0.37 0.12 -0.29 -0.04 2.79 2.21 1cf3A1 ASN 88 HD21 -0.03 -0.10 -0.05 -0.04 7.03 6.81 1cf3A1 ASN 88 HD22 -0.02 0.45 0.12 -0.04 7.74 8.24 1cf3A1 ASN 89 H 0.06 0.43 0.01 -0.55 8.53 8.48 1cf3A1 ASN 89 HA 0.05 0.07 0.20 -0.75 4.76 4.34 1cf3A1 ASN 89 HB2 0.08 0.11 -0.41 -0.04 2.88 2.62 1cf3A1 ASN 89 HB3 0.05 -0.05 0.16 -0.04 2.79 2.91 1cf3A1 ASN 89 HD21 0.05 -0.02 -0.05 -0.04 7.03 6.97 1cf3A1 ASN 89 HD22 0.06 -0.00 -0.09 -0.04 7.74 7.67 1cf3A1 GLN 90 H 0.05 0.02 -0.16 -0.55 8.47 7.83 1cf3A1 GLN 90 HA 0.03 0.19 0.96 -0.75 4.36 4.78 1cf3A1 GLN 90 HB2 -0.00 -0.06 -0.05 -0.04 2.15 1.99 1cf3A1 GLN 90 HB3 -0.01 0.09 0.07 -0.04 2.02 2.13 1cf3A1 GLN 90 HG2 0.02 -0.03 0.01 -0.04 2.40 2.36 1cf3A1 GLN 90 HG3 0.06 0.18 -0.30 -0.04 2.39 2.29 1cf3A1 GLN 90 HE21 0.13 0.00 0.05 -0.04 6.97 7.11 1cf3A1 GLN 90 HE22 0.14 0.05 0.01 -0.04 7.69 7.86 1cf3A1 THR 91 H 0.01 0.15 0.17 -0.55 8.28 8.06 1cf3A1 THR 91 HA 0.04 0.27 0.82 -0.75 4.39 4.76 1cf3A1 THR 91 HB 0.03 0.24 0.08 -0.04 4.32 4.62 1cf3A1 THR 91 HG23 0.02 -0.03 -0.16 -0.04 1.22 1.02 1cf3A1 ALA 92 H 0.06 0.16 0.24 -0.55 8.40 8.31 1cf3A1 ALA 92 HA -0.04 0.24 0.86 -0.75 4.34 4.65 1cf3A1 ALA 92 HB3 -0.03 0.01 0.07 -0.04 1.41 1.41 1cf3A1 LEU 93 H -0.02 0.20 0.16 -0.55 8.37 8.16 1cf3A1 LEU 93 HA 0.00 0.31 0.82 -0.75 4.35 4.73 1cf3A1 LEU 93 HB2 -0.06 -0.02 0.06 -0.04 1.64 1.58 1cf3A1 LEU 93 HB3 -0.09 -0.05 -0.19 -0.04 1.64 1.26 1cf3A1 LEU 93 HG -0.03 -0.03 -0.18 -0.04 1.64 1.36 1cf3A1 LEU 93 HD13 -0.05 -0.00 -0.05 -0.04 0.93 0.79 1cf3A1 LEU 93 HD23 -0.03 0.03 -0.14 -0.04 0.89 0.72 1cf3A1 ILE 94 H 0.01 0.86 0.11 -0.55 8.25 8.68 1cf3A1 ILE 94 HA 0.19 0.08 0.73 -0.75 4.18 4.43 1cf3A1 ILE 94 HB 0.04 -0.01 0.16 -0.04 1.89 2.03 1cf3A1 ILE 94 HG12 -0.00 0.22 -0.12 -0.04 1.49 1.55 1cf3A1 ILE 94 HG13 -0.33 -0.04 -0.11 -0.04 1.21 0.68 1cf3A1 ILE 94 HG23 0.10 -0.02 -0.16 -0.04 0.93 0.80 1cf3A1 ILE 94 HD13 0.25 -0.01 -0.23 -0.04 0.88 0.85 1cf3A1 ARG 95 H -0.74 0.24 0.11 -0.55 8.46 7.51 1cf3A1 ARG 95 HA -0.45 -0.04 0.46 -0.75 4.34 3.56 1cf3A1 ARG 95 HB2 -1.41 0.02 0.06 -0.04 1.90 0.54 1cf3A1 ARG 95 HB3 -1.00 -0.01 0.02 -0.04 1.80 0.76 1cf3A1 ARG 95 HG2 -1.13 0.07 0.05 -0.04 1.67 0.62 1cf3A1 ARG 95 HG3 -1.94 0.07 0.01 -0.04 1.67 -0.22 1cf3A1 ARG 95 HD2 -1.15 -0.05 0.01 -0.04 3.22 1.99 1cf3A1 ARG 95 HD3 -0.55 -0.08 -0.11 -0.04 3.22 2.45 1cf3A1 SER 96 H -0.20 0.13 0.19 -0.55 8.46 8.04 1cf3A1 SER 96 HA 0.01 0.04 0.61 -0.75 4.49 4.40 1cf3A1 SER 96 HB2 0.07 0.16 -0.40 -0.04 3.95 3.73 1cf3A1 SER 96 HB3 0.01 -0.02 0.01 -0.04 3.93 3.89 1cf3A1 GLY 97 H 0.07 0.01 0.06 -0.55 8.43 8.02 1cf3A1 GLY 97 HA2 0.01 0.36 0.45 -0.51 4.01 4.32 1cf3A1 GLY 97 HA3 0.06 0.06 -0.12 -0.51 4.01 3.50 1cf3A1 ASN 98 H -0.07 0.69 0.13 -0.55 8.53 8.73 1cf3A1 ASN 98 HA 0.00 0.02 0.85 -0.75 4.76 4.88 1cf3A1 ASN 98 HB2 -1.12 -0.01 -0.22 -0.04 2.88 1.49 1cf3A1 ASN 98 HB3 -0.33 0.08 0.00 -0.04 2.79 2.51 1cf3A1 ASN 98 HD21 -0.14 0.00 -0.15 -0.04 7.03 6.71 1cf3A1 ASN 98 HD22 -0.24 0.50 0.05 -0.04 7.74 8.00 1cf3A1 GLY 99 H 0.03 0.16 0.10 -0.55 8.43 8.17 1cf3A1 GLY 99 HA2 -0.01 -0.12 0.29 -0.51 4.01 3.66 1cf3A1 GLY 99 HA3 -0.02 0.26 0.63 -0.51 4.01 4.37 1cf3A1 LEU 100 H 0.04 0.61 0.08 -0.55 8.37 8.56 1cf3A1 LEU 100 HA 0.07 0.14 0.51 -0.75 4.35 4.32 1cf3A1 LEU 100 HB2 0.16 -0.09 0.10 -0.04 1.64 1.76 1cf3A1 LEU 100 HB3 0.13 0.04 0.00 -0.04 1.64 1.77 1cf3A1 LEU 100 HG 0.07 -0.04 -0.20 -0.04 1.64 1.42 1cf3A1 LEU 100 HD13 0.13 0.02 -0.15 -0.04 0.93 0.89 1cf3A1 LEU 100 HD23 0.05 0.02 -0.09 -0.04 0.89 0.84 1cf3A1 GLY 101 H 0.09 0.91 0.45 -0.55 8.43 9.34 1cf3A1 GLY 101 HA2 0.14 -0.04 0.27 -0.51 4.01 3.88 1cf3A1 GLY 101 HA3 0.11 0.12 0.85 -0.51 4.01 4.58 1cf3A1 GLY 102 H 0.07 0.74 -0.02 -0.55 8.43 8.67 1cf3A1 GLY 102 HA2 0.08 0.25 0.22 -0.51 4.01 4.06 1cf3A1 GLY 102 HA3 0.09 -0.19 0.41 -0.51 4.01 3.80 1cf3A1 SER 103 H 0.10 0.10 0.28 -0.55 8.46 8.40 1cf3A1 SER 103 HA 0.09 0.05 0.45 -0.75 4.49 4.33 1cf3A1 SER 103 HB2 0.11 0.01 0.23 -0.04 3.95 4.26 1cf3A1 SER 103 HB3 0.11 0.13 0.22 -0.04 3.93 4.35 1cf3A1 THR 104 H 0.12 0.33 -0.15 -0.55 8.28 8.02 1cf3A1 THR 104 HA 0.15 0.08 0.50 -0.75 4.39 4.37 1cf3A1 THR 104 HB 0.21 0.14 0.17 -0.04 4.32 4.79 1cf3A1 THR 104 HG23 0.18 -0.01 0.09 -0.04 1.22 1.44 1cf3A1 LEU 105 H 0.09 0.47 -0.36 -0.55 8.37 8.02 1cf3A1 LEU 105 HA 0.06 0.08 0.57 -0.75 4.35 4.30 1cf3A1 LEU 105 HB2 0.04 0.06 -0.08 -0.04 1.64 1.62 1cf3A1 LEU 105 HB3 0.01 0.03 -0.13 -0.04 1.64 1.51 1cf3A1 LEU 105 HG 0.05 -0.13 -0.28 -0.04 1.64 1.23 1cf3A1 LEU 105 HD13 -0.01 0.01 -0.33 -0.04 0.93 0.57 1cf3A1 LEU 105 HD23 -0.02 0.01 -0.06 -0.04 0.89 0.78 1cf3A1 VAL 106 H 0.11 0.10 -0.28 -0.55 8.24 7.62 1cf3A1 VAL 106 HA 0.09 0.32 0.91 -0.75 4.13 4.69 1cf3A1 VAL 106 HB 0.16 -0.01 0.05 -0.04 2.12 2.28 1cf3A1 VAL 106 HG13 0.05 0.01 -0.22 -0.04 0.97 0.77 1cf3A1 VAL 106 HG23 0.15 -0.04 -0.16 -0.04 0.95 0.86 1cf3A1 ASN 107 H 0.16 0.12 -0.13 -0.55 8.53 8.13 1cf3A1 ASN 107 HA 0.32 0.20 0.68 -0.75 4.76 5.21 1cf3A1 ASN 107 HB2 0.14 -0.12 0.20 -0.04 2.88 3.07 1cf3A1 ASN 107 HB3 0.16 0.11 0.12 -0.04 2.79 3.15 1cf3A1 ASN 107 HD21 0.18 0.00 0.01 -0.04 7.03 7.19 1cf3A1 ASN 107 HD22 0.15 -0.03 -0.05 -0.04 7.74 7.77 1cf3A1 GLY 108 H -0.03 0.09 0.16 -0.55 8.43 8.11 1cf3A1 GLY 108 HA2 -0.27 0.23 0.48 -0.51 4.01 3.93 1cf3A1 GLY 108 HA3 -0.32 0.01 0.32 -0.51 4.01 3.52 1cf3A1 GLY 109 H 0.10 -0.00 -0.23 -0.55 8.43 7.75 1cf3A1 GLY 109 HA2 0.17 0.02 0.27 -0.51 4.01 3.96 1cf3A1 GLY 109 HA3 0.13 0.15 0.33 -0.51 4.01 4.11 1cf3A1 THR 110 H 0.04 -0.03 -0.32 -0.55 8.28 7.42 1cf3A1 THR 110 HA 0.11 0.21 0.39 -0.75 4.39 4.36 1cf3A1 THR 110 HB -0.68 -0.13 -0.01 -0.04 4.32 3.46 1cf3A1 THR 110 HG23 -0.92 0.02 -0.17 -0.04 1.22 0.10 1cf3A1 TRP 111 H 0.31 0.47 0.08 -0.55 7.97 8.28 1cf3A1 TRP 111 HA 0.15 0.02 0.75 -0.75 4.62 4.79 1cf3A1 TRP 111 HB2 0.16 0.02 -0.26 -0.04 3.23 3.12 1cf3A1 TRP 111 HB3 0.20 0.07 -0.06 -0.04 3.23 3.40 1cf3A1 TRP 111 HD1 0.24 -0.03 -0.11 -0.04 7.22 7.29 1cf3A1 TRP 111 HE1 0.23 0.01 -0.09 -0.04 10.20 10.31 1cf3A1 TRP 111 HE3 0.21 -0.03 -0.16 -0.04 7.59 7.57 1cf3A1 TRP 111 HZ2 0.12 0.03 -0.07 -0.04 7.44 7.48 1cf3A1 TRP 111 HZ3 0.45 -0.07 -0.21 -0.04 7.13 7.26 1cf3A1 TRP 111 HH2 0.16 0.02 -0.13 -0.04 7.19 7.20 1cf3A1 THR 112 H 0.03 0.20 0.16 -0.55 8.28 8.12 1cf3A1 THR 112 HA 0.12 0.21 0.52 -0.75 4.39 4.48 1cf3A1 THR 112 HB 0.10 0.13 0.21 -0.04 4.32 4.72 1cf3A1 THR 112 HG23 0.32 -0.01 -0.14 -0.04 1.22 1.35 1cf3A1 ARG 113 H 0.00 0.60 0.27 -0.55 8.46 8.79 1cf3A1 ARG 113 HA -0.06 0.11 0.87 -0.75 4.34 4.52 1cf3A1 ARG 113 HB2 0.08 -0.00 0.10 -0.04 1.90 2.04 1cf3A1 ARG 113 HB3 0.24 0.04 -0.00 -0.04 1.80 2.04 1cf3A1 ARG 113 HG2 -0.12 -0.07 -0.08 -0.04 1.67 1.36 1cf3A1 ARG 113 HG3 -0.17 -0.08 -0.24 -0.04 1.67 1.14 1cf3A1 ARG 113 HD2 0.01 0.35 0.04 -0.04 3.22 3.58 1cf3A1 ARG 113 HD3 -0.10 -0.07 -0.07 -0.04 3.22 2.94 1cf3A1 PRO 114 HA -0.15 0.34 0.40 -0.51 4.44 4.53 1cf3A1 PRO 114 HB2 -0.15 0.02 0.04 -0.04 2.28 2.14 1cf3A1 PRO 114 HB3 -0.07 -0.04 -0.12 -0.04 2.02 1.74 1cf3A1 PRO 114 HG2 0.11 0.02 -0.14 -0.04 2.03 1.99 1cf3A1 PRO 114 HG3 -0.02 0.04 -0.09 -0.04 2.03 1.92 1cf3A1 PRO 114 HD2 0.18 0.11 0.06 -0.04 3.68 3.99 1cf3A1 PRO 114 HD3 -0.00 0.13 0.06 -0.04 3.65 3.80 1cf3A1 HIS 115 H -0.19 0.02 0.15 -0.55 8.41 7.85 1cf3A1 HIS 115 HA -0.42 0.31 0.49 -0.75 4.63 4.26 1cf3A1 HIS 115 HB2 -0.30 0.08 0.18 -0.04 3.26 3.18 1cf3A1 HIS 115 HB3 -0.46 -0.15 0.15 -0.04 3.20 2.69 1cf3A1 HIS 115 HD2 -0.16 0.03 0.06 -0.04 6.97 6.85 1cf3A1 HIS 115 HE1 -0.13 0.02 0.07 -0.04 7.75 7.66 1cf3A1 LYS 116 H -1.08 0.68 0.32 -0.55 8.42 7.79 1cf3A1 LYS 116 HA -1.07 0.02 0.38 -0.75 4.32 2.90 1cf3A1 LYS 116 HB2 -0.64 0.05 0.19 -0.04 1.87 1.43 1cf3A1 LYS 116 HB3 -0.57 -0.07 0.03 -0.04 1.79 1.14 1cf3A1 LYS 116 HG2 -3.22 -0.07 0.09 -0.04 1.46 -1.77 1cf3A1 LYS 116 HG3 -1.58 0.12 0.26 -0.04 1.46 0.21 1cf3A1 LYS 116 HD2 -0.51 0.05 0.06 -0.04 1.69 1.24 1cf3A1 LYS 116 HD3 -0.44 -0.07 0.04 -0.04 1.68 1.17 1cf3A1 LYS 116 HE2 -0.04 -0.06 0.03 -0.04 2.99 2.89 1cf3A1 LYS 116 HE3 -0.59 0.07 0.12 -0.04 2.99 2.56 1cf3A1 ALA 117 H 0.25 0.20 -0.15 -0.55 8.40 8.16 1cf3A1 ALA 117 HA -0.22 0.02 0.38 -0.75 4.34 3.78 1cf3A1 ALA 117 HB3 -0.68 0.04 0.06 -0.04 1.41 0.79 1cf3A1 GLN 118 H -0.48 0.31 -0.36 -0.55 8.47 7.40 1cf3A1 GLN 118 HA -1.04 0.11 0.44 -0.75 4.36 3.12 1cf3A1 GLN 118 HB2 -0.50 0.08 0.15 -0.04 2.15 1.83 1cf3A1 GLN 118 HB3 -0.63 0.10 0.03 -0.04 2.02 1.48 1cf3A1 GLN 118 HG2 -3.12 0.10 0.01 -0.04 2.40 -0.65 1cf3A1 GLN 118 HG3 -1.19 -0.08 0.03 -0.04 2.39 1.11 1cf3A1 GLN 118 HE21 -0.16 0.06 -0.02 -0.04 6.97 6.81 1cf3A1 GLN 118 HE22 -0.50 0.08 -0.05 -0.04 7.69 7.18 1cf3A1 VAL 119 H -0.25 0.29 -0.07 -0.55 8.24 7.67 1cf3A1 VAL 119 HA -0.98 0.14 0.42 -0.75 4.13 2.97 1cf3A1 VAL 119 HB 0.11 -0.03 -0.01 -0.04 2.12 2.15 1cf3A1 VAL 119 HG13 -0.26 -0.01 -0.34 -0.04 0.97 0.32 1cf3A1 VAL 119 HG23 -0.19 0.03 -0.08 -0.04 0.95 0.66 1cf3A1 ASP 120 H -0.03 0.51 -0.06 -0.55 8.40 8.27 1cf3A1 ASP 120 HA 0.13 -0.08 0.58 -0.75 4.63 4.51 1cf3A1 ASP 120 HB2 0.00 0.11 0.14 -0.04 2.71 2.91 1cf3A1 ASP 120 HB3 0.09 0.02 0.03 -0.04 2.70 2.79 1cf3A1 SER 121 H 0.19 0.48 -0.32 -0.55 8.46 8.26 1cf3A1 SER 121 HA 0.28 -0.10 0.46 -0.75 4.49 4.37 1cf3A1 SER 121 HB2 0.45 -0.07 0.13 -0.04 3.95 4.42 1cf3A1 SER 121 HB3 0.58 0.12 0.16 -0.04 3.93 4.75 1cf3A1 TRP 122 H 0.46 0.45 -0.36 -0.55 7.97 7.97 1cf3A1 TRP 122 HA 0.39 0.03 0.38 -0.75 4.62 4.67 1cf3A1 TRP 122 HB2 0.27 0.28 0.17 -0.04 3.23 3.90 1cf3A1 TRP 122 HB3 0.13 -0.03 0.09 -0.04 3.23 3.38 1cf3A1 TRP 122 HD1 0.33 -0.10 -0.10 -0.04 7.22 7.32 1cf3A1 TRP 122 HE1 0.20 0.03 -0.07 -0.04 10.20 10.32 1cf3A1 TRP 122 HE3 0.10 0.02 -0.02 -0.04 7.59 7.65 1cf3A1 TRP 122 HZ2 0.08 0.09 -0.08 -0.04 7.44 7.48 1cf3A1 TRP 122 HZ3 -0.00 -0.02 -0.06 -0.04 7.13 7.01 1cf3A1 TRP 122 HH2 0.05 -0.05 -0.06 -0.04 7.19 7.09 1cf3A1 GLU 123 H 0.38 0.36 -0.14 -0.55 8.60 8.65 1cf3A1 GLU 123 HA 0.30 0.05 0.58 -0.75 4.29 4.46 1cf3A1 GLU 123 HB2 0.29 0.08 -0.11 -0.04 2.09 2.31 1cf3A1 GLU 123 HB3 0.22 0.04 0.13 -0.04 1.99 2.34 1cf3A1 GLU 123 HG2 0.15 0.04 -0.29 -0.04 2.34 2.20 1cf3A1 GLU 123 HG3 0.18 -0.04 -0.17 -0.04 2.34 2.27 1cf3A1 THR 124 H 0.21 0.40 0.11 -0.55 8.28 8.45 1cf3A1 THR 124 HA 0.11 0.11 0.38 -0.75 4.39 4.23 1cf3A1 THR 124 HB 0.09 0.01 0.03 -0.04 4.32 4.41 1cf3A1 THR 124 HG23 0.12 0.03 0.01 -0.04 1.22 1.33 1cf3A1 VAL 125 H 0.15 0.46 0.07 -0.55 8.24 8.37 1cf3A1 VAL 125 HA -0.10 0.15 0.84 -0.75 4.13 4.27 1cf3A1 VAL 125 HB -0.19 0.13 0.14 -0.04 2.12 2.15 1cf3A1 VAL 125 HG13 -0.67 -0.00 -0.10 -0.04 0.97 0.16 1cf3A1 VAL 125 HG23 0.01 -0.03 0.00 -0.04 0.95 0.89 1cf3A1 PHE 126 H 0.22 0.38 -0.01 -0.55 8.34 8.38 1cf3A1 PHE 126 HA 0.02 0.13 0.72 -0.75 4.62 4.74 1cf3A1 PHE 126 HB2 0.07 0.09 0.18 -0.04 3.15 3.46 1cf3A1 PHE 126 HB3 -0.05 0.03 0.23 -0.04 3.06 3.23 1cf3A1 PHE 126 HD2 0.09 0.01 -0.08 -0.04 7.28 7.27 1cf3A1 PHE 126 HE2 -0.01 -0.01 -0.06 -0.04 7.38 7.26 1cf3A1 PHE 126 HZ -0.18 -0.02 -0.03 -0.04 7.32 7.05 1cf3A1 GLY 127 H 0.13 0.13 -0.60 -0.55 8.43 7.55 1cf3A1 GLY 127 HA2 0.12 0.12 0.25 -0.51 4.01 3.99 1cf3A1 GLY 127 HA3 0.10 -0.05 0.14 -0.51 4.01 3.69 1cf3A1 ASN 128 H 0.25 0.57 -0.06 -0.55 8.53 8.75 1cf3A1 ASN 128 HA 0.19 0.06 0.80 -0.75 4.76 5.05 1cf3A1 ASN 128 HB2 0.27 0.02 0.02 -0.04 2.88 3.15 1cf3A1 ASN 128 HB3 0.16 -0.04 -0.00 -0.04 2.79 2.87 1cf3A1 ASN 128 HD21 -0.19 0.35 -0.01 -0.04 7.03 7.14 1cf3A1 ASN 128 HD22 -0.04 -0.09 0.06 -0.04 7.74 7.63 1cf3A1 GLU 129 H 0.20 0.25 0.06 -0.55 8.60 8.56 1cf3A1 GLU 129 HA 0.17 -0.02 0.29 -0.75 4.29 3.98 1cf3A1 GLU 129 HB2 0.13 0.00 0.08 -0.04 2.09 2.26 1cf3A1 GLU 129 HB3 0.10 -0.01 -0.02 -0.04 1.99 2.02 1cf3A1 GLU 129 HG2 0.11 0.02 0.01 -0.04 2.34 2.44 1cf3A1 GLU 129 HG3 0.12 0.06 0.11 -0.04 2.34 2.60 1cf3A1 GLY 130 H 0.14 0.08 0.11 -0.55 8.43 8.22 1cf3A1 GLY 130 HA2 0.01 -0.05 0.32 -0.51 4.01 3.78 1cf3A1 GLY 130 HA3 -0.05 0.23 0.65 -0.51 4.01 4.32 1cf3A1 TRP 131 H 0.41 0.57 -0.31 -0.55 7.97 8.09 1cf3A1 TRP 131 HA 0.14 0.09 0.70 -0.75 4.62 4.80 1cf3A1 TRP 131 HB2 0.29 0.16 0.05 -0.04 3.23 3.69 1cf3A1 TRP 131 HB3 0.48 -0.05 0.05 -0.04 3.23 3.67 1cf3A1 TRP 131 HD1 0.11 0.03 -0.32 -0.04 7.22 7.00 1cf3A1 TRP 131 HE1 0.03 0.54 0.09 -0.04 10.20 10.82 1cf3A1 TRP 131 HE3 0.35 -0.06 -0.05 -0.04 7.59 7.79 1cf3A1 TRP 131 HZ2 -0.03 0.03 -0.09 -0.04 7.44 7.30 1cf3A1 TRP 131 HZ3 0.14 -0.07 -0.04 -0.04 7.13 7.12 1cf3A1 TRP 131 HH2 -0.05 0.05 0.01 -0.04 7.19 7.16 1cf3A1 ASN 132 H 0.09 0.27 -0.00 -0.55 8.53 8.33 1cf3A1 ASN 132 HA 0.17 0.30 0.63 -0.75 4.76 5.11 1cf3A1 ASN 132 HB2 0.13 -0.09 0.09 -0.04 2.88 2.97 1cf3A1 ASN 132 HB3 0.15 0.12 -0.06 -0.04 2.79 2.96 1cf3A1 ASN 132 HD21 0.04 0.08 -0.07 -0.04 7.03 7.04 1cf3A1 ASN 132 HD22 0.10 0.03 -0.13 -0.04 7.74 7.69 1cf3A1 TRP 133 H 0.24 0.19 0.04 -0.55 7.97 7.89 1cf3A1 TRP 133 HA -0.10 0.07 0.30 -0.75 4.62 4.14 1cf3A1 TRP 133 HB2 -0.11 0.11 0.20 -0.04 3.23 3.39 1cf3A1 TRP 133 HB3 -0.06 -0.04 0.17 -0.04 3.23 3.26 1cf3A1 TRP 133 HD1 -0.06 -0.02 -0.09 -0.04 7.22 7.01 1cf3A1 TRP 133 HE1 -0.08 0.10 -0.05 -0.04 10.20 10.12 1cf3A1 TRP 133 HE3 -0.17 -0.07 -0.07 -0.04 7.59 7.24 1cf3A1 TRP 133 HZ2 -0.12 0.17 -0.25 -0.04 7.44 7.20 1cf3A1 TRP 133 HZ3 -0.16 -0.01 -0.20 -0.04 7.13 6.71 1cf3A1 TRP 133 HH2 -0.14 0.05 -0.22 -0.04 7.19 6.84 1cf3A1 ASP 134 H 0.15 0.08 -0.10 -0.55 8.40 7.98 1cf3A1 ASP 134 HA -0.19 0.10 0.33 -0.75 4.63 4.12 1cf3A1 ASP 134 HB2 0.02 -0.06 0.03 -0.04 2.71 2.66 1cf3A1 ASP 134 HB3 -0.03 0.09 -0.06 -0.04 2.70 2.66 1cf3A1 ASN 135 H -0.05 0.03 -0.24 -0.55 8.53 7.72 1cf3A1 ASN 135 HA -0.11 0.10 0.56 -0.75 4.76 4.56 1cf3A1 ASN 135 HB2 -0.07 -0.12 0.19 -0.04 2.88 2.85 1cf3A1 ASN 135 HB3 -0.09 0.07 0.02 -0.04 2.79 2.75 1cf3A1 ASN 135 HD21 -0.03 -0.04 0.04 -0.04 7.03 6.95 1cf3A1 ASN 135 HD22 -0.05 0.23 0.12 -0.04 7.74 7.99 1cf3A1 VAL 136 H -0.11 0.54 0.02 -0.55 8.24 8.14 1cf3A1 VAL 136 HA -0.02 0.05 0.41 -0.75 4.13 3.82 1cf3A1 VAL 136 HB -0.13 0.01 0.05 -0.04 2.12 2.01 1cf3A1 VAL 136 HG13 -0.05 -0.01 -0.12 -0.04 0.97 0.75 1cf3A1 VAL 136 HG23 0.13 0.01 -0.02 -0.04 0.95 1.03 1cf3A1 ALA 137 H -0.63 0.85 -0.01 -0.55 8.40 8.06 1cf3A1 ALA 137 HA -0.59 -0.02 0.35 -0.75 4.34 3.33 1cf3A1 ALA 137 HB3 -1.40 0.01 0.04 -0.04 1.41 0.01 1cf3A1 ALA 138 H -0.26 0.40 -0.33 -0.55 8.40 7.66 1cf3A1 ALA 138 HA -0.17 0.02 0.39 -0.75 4.34 3.83 1cf3A1 ALA 138 HB3 -0.21 0.04 0.15 -0.04 1.41 1.35 1cf3A1 TYR 139 H -0.01 0.49 -0.06 -0.55 8.29 8.16 1cf3A1 TYR 139 HA -0.03 0.02 0.46 -0.75 4.56 4.26 1cf3A1 TYR 139 HB2 -0.09 0.11 0.18 -0.04 3.06 3.22 1cf3A1 TYR 139 HB3 -0.01 -0.06 0.07 -0.04 2.98 2.94 1cf3A1 TYR 139 HD2 -0.10 0.06 -0.04 -0.04 7.15 7.03 1cf3A1 TYR 139 HE2 -0.12 0.02 -0.10 -0.04 6.85 6.61 1cf3A1 SER 140 H -0.03 0.50 -0.24 -0.55 8.46 8.15 1cf3A1 SER 140 HA 0.11 -0.02 0.46 -0.75 4.49 4.29 1cf3A1 SER 140 HB2 -0.11 0.02 0.06 -0.04 3.95 3.87 1cf3A1 SER 140 HB3 -0.15 0.10 0.11 -0.04 3.93 3.95 1cf3A1 LEU 141 H -0.06 0.64 -0.04 -0.55 8.37 8.37 1cf3A1 LEU 141 HA 0.07 -0.07 0.41 -0.75 4.35 4.01 1cf3A1 LEU 141 HB2 -0.05 0.12 0.13 -0.04 1.64 1.79 1cf3A1 LEU 141 HB3 -0.01 -0.07 -0.03 -0.04 1.64 1.49 1cf3A1 LEU 141 HG -0.12 0.22 0.04 -0.04 1.64 1.73 1cf3A1 LEU 141 HD13 -0.08 -0.01 -0.08 -0.04 0.93 0.72 1cf3A1 LEU 141 HD23 -0.05 -0.02 -0.29 -0.04 0.89 0.49 1cf3A1 GLN 142 H 0.02 0.49 -0.19 -0.55 8.47 8.23 1cf3A1 GLN 142 HA 0.03 -0.01 0.36 -0.75 4.36 3.98 1cf3A1 GLN 142 HB2 -0.03 0.01 0.10 -0.04 2.15 2.19 1cf3A1 GLN 142 HB3 0.09 0.14 0.17 -0.04 2.02 2.38 1cf3A1 GLN 142 HG2 0.13 -0.00 -0.20 -0.04 2.40 2.29 1cf3A1 GLN 142 HG3 0.03 -0.02 0.00 -0.04 2.39 2.37 1cf3A1 GLN 142 HE21 0.07 -0.02 -0.04 -0.04 6.97 6.94 1cf3A1 GLN 142 HE22 0.09 0.02 -0.05 -0.04 7.69 7.71 1cf3A1 ALA 143 H 0.18 0.44 -0.27 -0.55 8.40 8.20 1cf3A1 ALA 143 HA 0.26 0.02 0.50 -0.75 4.34 4.37 1cf3A1 ALA 143 HB3 0.33 0.03 0.01 -0.04 1.41 1.74 1cf3A1 GLU 144 H 0.18 0.38 -0.29 -0.55 8.60 8.32 1cf3A1 GLU 144 HA 0.13 0.06 0.61 -0.75 4.29 4.33 1cf3A1 GLU 144 HB2 0.51 0.08 0.09 -0.04 2.09 2.72 1cf3A1 GLU 144 HB3 0.23 -0.01 0.21 -0.04 1.99 2.37 1cf3A1 GLU 144 HG2 0.22 0.09 -0.14 -0.04 2.34 2.46 1cf3A1 GLU 144 HG3 0.41 0.01 -0.02 -0.04 2.34 2.69 1cf3A1 ARG 145 H -0.15 0.49 -0.05 -0.55 8.46 8.19 1cf3A1 ARG 145 HA -0.10 0.06 0.45 -0.75 4.34 3.99 1cf3A1 ARG 145 HB2 -0.31 -0.00 -0.94 -0.04 1.90 0.60 1cf3A1 ARG 145 HB3 -0.49 -0.08 -0.61 -0.04 1.80 0.58 1cf3A1 ARG 145 HG2 -0.41 -0.11 -0.14 -0.04 1.67 0.97 1cf3A1 ARG 145 HG3 -0.22 0.15 -0.22 -0.04 1.67 1.34 1cf3A1 ARG 145 HD2 -0.36 0.46 -0.31 -0.04 3.22 2.96 1cf3A1 ARG 145 HD3 -0.97 -0.11 -0.19 -0.04 3.22 1.91 1cf3A1 ALA 146 H 0.04 0.58 0.09 -0.55 8.40 8.57 1cf3A1 ALA 146 HA -0.10 0.24 0.73 -0.75 4.34 4.46 1cf3A1 ALA 146 HB3 0.21 -0.02 -0.03 -0.04 1.41 1.53 1cf3A1 ARG 147 H -0.16 0.39 0.35 -0.55 8.46 8.48 1cf3A1 ARG 147 HA -0.17 0.12 0.91 -0.75 4.34 4.44 1cf3A1 ARG 147 HB2 -0.19 -0.06 0.18 -0.04 1.90 1.79 1cf3A1 ARG 147 HB3 -0.17 -0.00 0.09 -0.04 1.80 1.68 1cf3A1 ARG 147 HG2 -0.10 0.05 -0.09 -0.04 1.67 1.48 1cf3A1 ARG 147 HG3 -0.12 0.16 -0.04 -0.04 1.67 1.63 1cf3A1 ARG 147 HD2 -0.08 -0.03 0.01 -0.04 3.22 3.08 1cf3A1 ARG 147 HD3 -0.05 -0.06 -0.01 -0.04 3.22 3.05 1cf3A1 ALA 148 H -0.36 0.10 0.11 -0.55 8.40 7.71 1cf3A1 ALA 148 HA -1.74 0.06 0.48 -0.75 4.34 2.39 1cf3A1 ALA 148 HB3 -0.33 0.00 0.07 -0.04 1.41 1.11 1cf3A1 PRO 149 HA -0.28 0.09 0.55 -0.51 4.44 4.28 1cf3A1 PRO 149 HB2 -0.19 0.01 -0.10 -0.04 2.28 1.96 1cf3A1 PRO 149 HB3 -0.42 0.03 0.02 -0.04 2.02 1.61 1cf3A1 PRO 149 HG2 -0.09 0.05 -0.05 -0.04 2.03 1.90 1cf3A1 PRO 149 HG3 -0.07 -0.00 -0.14 -0.04 2.03 1.78 1cf3A1 PRO 149 HD2 -0.36 0.09 0.18 -0.04 3.68 3.54 1cf3A1 PRO 149 HD3 -0.63 0.16 0.13 -0.04 3.65 3.27 1cf3A1 ASN 150 H -0.14 0.06 0.17 -0.55 8.53 8.07 1cf3A1 ASN 150 HA -0.08 0.28 0.71 -0.75 4.76 4.92 1cf3A1 ASN 150 HB2 -0.04 -0.06 0.20 -0.04 2.88 2.93 1cf3A1 ASN 150 HB3 -0.07 0.16 0.08 -0.04 2.79 2.92 1cf3A1 ASN 150 HD21 -0.01 0.05 0.03 -0.04 7.03 7.05 1cf3A1 ASN 150 HD22 -0.04 0.10 0.04 -0.04 7.74 7.81 1cf3A1 ALA 151 H -0.03 0.21 0.17 -0.55 8.40 8.20 1cf3A1 ALA 151 HA -0.02 0.12 0.35 -0.75 4.34 4.03 1cf3A1 ALA 151 HB3 -0.01 0.04 0.12 -0.04 1.41 1.51 1cf3A1 LYS 152 H -0.01 0.08 -0.13 -0.55 8.42 7.80 1cf3A1 LYS 152 HA 0.01 0.13 0.45 -0.75 4.32 4.16 1cf3A1 LYS 152 HB2 0.03 0.04 0.08 -0.04 1.87 1.98 1cf3A1 LYS 152 HB3 0.05 -0.06 0.07 -0.04 1.79 1.81 1cf3A1 LYS 152 HG2 0.25 0.00 -0.22 -0.04 1.46 1.44 1cf3A1 LYS 152 HG3 0.11 0.02 0.02 -0.04 1.46 1.58 1cf3A1 LYS 152 HD2 0.06 0.02 -0.03 -0.04 1.69 1.71 1cf3A1 LYS 152 HD3 0.11 -0.03 -0.04 -0.04 1.68 1.68 1cf3A1 LYS 152 HE2 0.26 -0.07 -0.06 -0.04 2.99 3.09 1cf3A1 LYS 152 HE3 0.05 -0.00 -0.09 -0.04 2.99 2.91 1cf3A1 GLN 153 H -0.05 0.03 -0.21 -0.55 8.47 7.69 1cf3A1 GLN 153 HA -0.39 0.08 0.49 -0.75 4.36 3.78 1cf3A1 GLN 153 HB2 -0.17 -0.05 0.18 -0.04 2.15 2.07 1cf3A1 GLN 153 HB3 -0.36 0.03 0.07 -0.04 2.02 1.72 1cf3A1 GLN 153 HG2 -0.04 0.10 0.02 -0.04 2.40 2.45 1cf3A1 GLN 153 HG3 0.03 -0.08 0.00 -0.04 2.39 2.30 1cf3A1 GLN 153 HE21 -0.03 0.10 -0.01 -0.04 6.97 6.99 1cf3A1 GLN 153 HE22 0.08 -0.01 -0.03 -0.04 7.69 7.69 1cf3A1 ILE 154 H -0.06 0.63 -0.12 -0.55 8.25 8.15 1cf3A1 ILE 154 HA 0.02 0.10 0.39 -0.75 4.18 3.94 1cf3A1 ILE 154 HB -0.02 0.00 0.07 -0.04 1.89 1.90 1cf3A1 ILE 154 HG12 0.04 0.05 -0.07 -0.04 1.49 1.47 1cf3A1 ILE 154 HG13 -0.04 -0.05 -0.19 -0.04 1.21 0.90 1cf3A1 ILE 154 HG23 0.02 0.03 -0.13 -0.04 0.93 0.81 1cf3A1 ILE 154 HD13 0.00 -0.02 -0.11 -0.04 0.88 0.71 1cf3A1 ALA 155 H -0.04 0.48 -0.16 -0.55 8.40 8.13 1cf3A1 ALA 155 HA -0.03 0.02 0.38 -0.75 4.34 3.96 1cf3A1 ALA 155 HB3 -0.01 0.01 0.13 -0.04 1.41 1.49 1cf3A1 ALA 156 H -0.16 0.27 -0.36 -0.55 8.40 7.60 1cf3A1 ALA 156 HA -0.09 0.05 0.54 -0.75 4.34 4.09 1cf3A1 ALA 156 HB3 -0.46 -0.01 0.13 -0.04 1.41 1.03 1cf3A1 GLY 157 H -0.11 0.28 -0.12 -0.55 8.43 7.93 1cf3A1 GLY 157 HA2 -0.09 0.04 0.24 -0.51 4.01 3.69 1cf3A1 GLY 157 HA3 -0.16 0.06 0.75 -0.51 4.01 4.16 1cf3A1 HIS 158 H -0.03 0.32 0.22 -0.55 8.41 8.38 1cf3A1 HIS 158 HA -0.08 -0.02 0.49 -0.75 4.63 4.27 1cf3A1 HIS 158 HB2 -0.12 -0.00 -0.25 -0.04 3.26 2.85 1cf3A1 HIS 158 HB3 -0.06 -0.02 -0.15 -0.04 3.20 2.93 1cf3A1 HIS 158 HD2 -0.35 0.06 0.08 -0.04 6.97 6.71 1cf3A1 HIS 158 HE1 -0.07 0.29 -0.08 -0.04 7.75 7.85 1cf3A1 TYR 159 H 0.13 0.23 0.20 -0.55 8.29 8.29 1cf3A1 TYR 159 HA 0.07 0.09 0.48 -0.75 4.56 4.44 1cf3A1 TYR 159 HB2 -0.01 0.09 0.08 -0.04 3.06 3.17 1cf3A1 TYR 159 HB3 -0.03 0.14 0.14 -0.04 2.98 3.20 1cf3A1 TYR 159 HD2 0.01 0.12 0.00 -0.04 7.15 7.24 1cf3A1 TYR 159 HE2 0.02 -0.06 -0.02 -0.04 6.85 6.74 1cf3A1 PHE 160 H -0.32 0.24 0.04 -0.55 8.34 7.75 1cf3A1 PHE 160 HA -0.25 0.11 0.86 -0.75 4.62 4.58 1cf3A1 PHE 160 HB2 -0.14 0.01 -0.18 -0.04 3.15 2.80 1cf3A1 PHE 160 HB3 -0.17 0.00 0.12 -0.04 3.06 2.97 1cf3A1 PHE 160 HD2 -0.17 -0.03 -0.12 -0.04 7.28 6.92 1cf3A1 PHE 160 HE2 -0.30 0.00 -0.19 -0.04 7.38 6.85 1cf3A1 PHE 160 HZ -0.07 0.07 -0.35 -0.04 7.32 6.94 1cf3A1 ASN 161 H -0.41 0.17 0.08 -0.55 8.53 7.83 1cf3A1 ASN 161 HA -0.21 0.13 0.78 -0.75 4.76 4.71 1cf3A1 ASN 161 HB2 -0.02 0.06 0.10 -0.04 2.88 2.98 1cf3A1 ASN 161 HB3 -0.11 -0.01 0.17 -0.04 2.79 2.79 1cf3A1 ASN 161 HD21 0.04 0.05 0.00 -0.04 7.03 7.08 1cf3A1 ASN 161 HD22 0.11 0.03 0.03 -0.04 7.74 7.86 1cf3A1 ALA 162 H -0.08 0.23 0.14 -0.55 8.40 8.14 1cf3A1 ALA 162 HA -0.22 0.10 0.17 -0.75 4.34 3.64 1cf3A1 ALA 162 HB3 0.06 0.03 0.09 -0.04 1.41 1.54 1cf3A1 SER 163 H -0.06 0.01 -0.26 -0.55 8.46 7.61 1cf3A1 SER 163 HA -0.02 0.11 0.38 -0.75 4.49 4.20 1cf3A1 SER 163 HB2 -0.03 -0.04 -0.04 -0.04 3.95 3.80 1cf3A1 SER 163 HB3 -0.02 0.04 -0.03 -0.04 3.93 3.89 1cf3A1 CYS 164 H -0.15 0.26 -0.33 -0.55 8.50 7.74 1cf3A1 CYS 164 HA -0.12 0.18 0.71 -0.75 4.58 4.59 1cf3A1 CYS 164 HB2 -0.37 0.01 -0.09 -0.04 2.97 2.48 1cf3A1 CYS 164 HB3 -0.24 0.11 -0.19 -0.04 2.97 2.61 1cf3A1 HIS 165 H -0.08 0.43 -0.38 -0.55 8.41 7.83 1cf3A1 HIS 165 HA 0.06 0.12 0.77 -0.75 4.63 4.83 1cf3A1 HIS 165 HB2 -0.15 -0.01 -0.13 -0.04 3.26 2.93 1cf3A1 HIS 165 HB3 0.16 0.05 -0.07 -0.04 3.20 3.29 1cf3A1 HIS 165 HD2 -0.90 0.12 -0.28 -0.04 6.97 5.87 1cf3A1 HIS 165 HE1 0.26 -0.03 -0.05 -0.04 7.75 7.88 1cf3A1 GLY 166 H 0.19 0.08 0.12 -0.55 8.43 8.28 1cf3A1 GLY 166 HA2 0.05 0.09 0.68 -0.51 4.01 4.32 1cf3A1 GLY 166 HA3 0.07 0.33 0.41 -0.51 4.01 4.32 1cf3A1 VAL 167 H 0.03 0.08 0.21 -0.55 8.24 8.01 1cf3A1 VAL 167 HA 0.01 0.17 0.96 -0.75 4.13 4.51 1cf3A1 VAL 167 HB -0.00 0.03 0.16 -0.04 2.12 2.26 1cf3A1 VAL 167 HG13 0.10 0.05 -0.16 -0.04 0.97 0.92 1cf3A1 VAL 167 HG23 0.01 -0.01 -0.05 -0.04 0.95 0.87 1cf3A1 ASN 168 H -0.01 0.02 0.15 -0.55 8.53 8.14 1cf3A1 ASN 168 HA -0.06 0.26 1.04 -0.75 4.76 5.25 1cf3A1 ASN 168 HB2 -0.02 -0.02 0.07 -0.04 2.88 2.87 1cf3A1 ASN 168 HB3 -0.03 0.04 0.16 -0.04 2.79 2.92 1cf3A1 ASN 168 HD21 -0.01 -0.02 -0.02 -0.04 7.03 6.94 1cf3A1 ASN 168 HD22 -0.01 0.01 0.01 -0.04 7.74 7.71 1cf3A1 GLY 169 H -0.05 0.30 -0.12 -0.55 8.43 8.02 1cf3A1 GLY 169 HA2 -0.05 0.13 0.31 -0.51 4.01 3.90 1cf3A1 GLY 169 HA3 -0.04 0.01 -0.17 -0.51 4.01 3.30 1cf3A1 THR 170 H -0.16 0.32 -0.01 -0.55 8.28 7.88 1cf3A1 THR 170 HA -0.38 0.22 0.82 -0.75 4.39 4.30 1cf3A1 THR 170 HB -0.87 -0.04 0.08 -0.04 4.32 3.45 1cf3A1 THR 170 HG23 -1.45 -0.04 -0.11 -0.04 1.22 -0.41 1cf3A1 VAL 171 H -0.23 0.68 0.22 -0.55 8.24 8.36 1cf3A1 VAL 171 HA -0.27 0.08 0.65 -0.75 4.13 3.84 1cf3A1 VAL 171 HB -0.25 -0.04 0.09 -0.04 2.12 1.88 1cf3A1 VAL 171 HG13 -0.33 0.00 -0.21 -0.04 0.97 0.40 1cf3A1 VAL 171 HG23 -0.39 -0.00 -0.05 -0.04 0.95 0.46 1cf3A1 HIS 172 H -0.06 0.18 0.11 -0.55 8.41 8.11 1cf3A1 HIS 172 HA -0.30 0.29 0.46 -0.75 4.63 4.34 1cf3A1 HIS 172 HB2 -0.57 -0.12 -0.03 -0.04 3.26 2.50 1cf3A1 HIS 172 HB3 -0.44 0.02 -0.09 -0.04 3.20 2.66 1cf3A1 HIS 172 HD2 -0.31 -0.06 0.00 -0.04 6.97 6.55 1cf3A1 HIS 172 HE1 -0.19 0.06 0.03 -0.04 7.75 7.61 1cf3A1 ALA 173 H -0.25 0.57 0.31 -0.55 8.40 8.49 1cf3A1 ALA 173 HA -0.27 0.20 1.07 -0.75 4.34 4.58 1cf3A1 ALA 173 HB3 -0.74 -0.05 -0.11 -0.04 1.41 0.47 1cf3A1 GLY 174 H -0.09 0.58 0.44 -0.55 8.43 8.82 1cf3A1 GLY 174 HA2 -0.14 0.10 0.51 -0.51 4.01 3.98 1cf3A1 GLY 174 HA3 -0.12 0.10 0.38 -0.51 4.01 3.87 1cf3A1 PRO 175 HA 0.01 0.07 0.62 -0.51 4.44 4.63 1cf3A1 PRO 175 HB2 -0.16 0.02 -0.06 -0.04 2.28 2.04 1cf3A1 PRO 175 HB3 -0.67 0.02 0.09 -0.04 2.02 1.41 1cf3A1 PRO 175 HG2 -0.32 -0.08 0.05 -0.04 2.03 1.64 1cf3A1 PRO 175 HG3 -0.49 0.03 0.01 -0.04 2.03 1.55 1cf3A1 PRO 175 HD2 -0.16 0.11 0.13 -0.04 3.68 3.72 1cf3A1 PRO 175 HD3 -0.24 0.31 0.16 -0.04 3.65 3.84 1cf3A1 ARG 176 H 0.13 0.12 0.22 -0.55 8.46 8.38 1cf3A1 ARG 176 HA 0.06 0.12 0.44 -0.75 4.34 4.20 1cf3A1 ARG 176 HB2 0.13 0.06 0.09 -0.04 1.90 2.14 1cf3A1 ARG 176 HB3 0.13 -0.06 0.11 -0.04 1.80 1.94 1cf3A1 ARG 176 HG2 0.05 -0.07 -0.17 -0.04 1.67 1.44 1cf3A1 ARG 176 HG3 0.07 0.05 -0.01 -0.04 1.67 1.73 1cf3A1 ARG 176 HD2 0.09 -0.07 -0.05 -0.04 3.22 3.15 1cf3A1 ARG 176 HD3 0.07 -0.03 -0.07 -0.04 3.22 3.15 1cf3A1 ASP 177 H 0.03 0.27 0.04 -0.55 8.40 8.20 1cf3A1 ASP 177 HA -0.01 0.03 0.58 -0.75 4.63 4.48 1cf3A1 ASP 177 HB2 0.09 0.09 -0.24 -0.04 2.71 2.61 1cf3A1 ASP 177 HB3 0.01 0.09 0.10 -0.04 2.70 2.85 1cf3A1 THR 178 H -0.12 0.13 0.05 -0.55 8.28 7.80 1cf3A1 THR 178 HA -0.03 0.17 0.53 -0.75 4.39 4.30 1cf3A1 THR 178 HB -0.05 0.07 0.12 -0.04 4.32 4.42 1cf3A1 THR 178 HG23 -0.03 0.01 0.02 -0.04 1.22 1.18 1cf3A1 GLY 179 H -0.12 0.05 -0.23 -0.55 8.43 7.57 1cf3A1 GLY 179 HA2 -0.05 0.01 0.22 -0.51 4.01 3.68 1cf3A1 GLY 179 HA3 -0.05 0.20 0.63 -0.51 4.01 4.28 1cf3A1 ASP 180 H -0.12 -0.04 -0.26 -0.55 8.40 7.43 1cf3A1 ASP 180 HA -0.06 0.20 0.69 -0.75 4.63 4.70 1cf3A1 ASP 180 HB2 -0.06 -0.06 0.19 -0.04 2.71 2.74 1cf3A1 ASP 180 HB3 -0.06 0.05 0.04 -0.04 2.70 2.69 1cf3A1 ASP 181 H -0.06 0.10 0.13 -0.55 8.40 8.03 1cf3A1 ASP 181 HA -0.03 0.07 0.56 -0.75 4.63 4.48 1cf3A1 ASP 181 HB2 -0.02 0.01 0.05 -0.04 2.71 2.70 1cf3A1 ASP 181 HB3 0.01 0.14 0.12 -0.04 2.70 2.92 1cf3A1 TYR 182 H 0.14 0.12 0.18 -0.55 8.29 8.18 1cf3A1 TYR 182 HA -0.03 0.08 0.69 -0.75 4.56 4.56 1cf3A1 TYR 182 HB2 -0.02 -0.02 0.15 -0.04 3.06 3.13 1cf3A1 TYR 182 HB3 -0.04 0.12 0.09 -0.04 2.98 3.11 1cf3A1 TYR 182 HD2 -0.02 0.03 0.00 -0.04 7.15 7.13 1cf3A1 TYR 182 HE2 0.01 -0.03 -0.04 -0.04 6.85 6.75 1cf3A1 SER 183 H 0.04 0.71 0.17 -0.55 8.46 8.83 1cf3A1 SER 183 HA -0.04 0.41 0.50 -0.75 4.49 4.60 1cf3A1 SER 183 HB2 -0.05 0.11 -0.17 -0.04 3.95 3.80 1cf3A1 SER 183 HB3 -0.05 -0.09 -0.04 -0.04 3.93 3.72 1cf3A1 PRO 184 HA -0.06 0.09 0.32 -0.51 4.44 4.29 1cf3A1 PRO 184 HB2 -0.03 -0.03 0.04 -0.04 2.28 2.22 1cf3A1 PRO 184 HB3 -0.00 0.05 0.11 -0.04 2.02 2.13 1cf3A1 PRO 184 HG2 -0.43 -0.05 -0.02 -0.04 2.03 1.49 1cf3A1 PRO 184 HG3 -0.00 0.16 0.10 -0.04 2.03 2.25 1cf3A1 PRO 184 HD2 -0.12 0.24 0.17 -0.04 3.68 3.92 1cf3A1 PRO 184 HD3 -0.04 0.23 0.27 -0.04 3.65 4.08 1cf3A1 ILE 185 H -0.26 0.21 -0.42 -0.55 8.25 7.24 1cf3A1 ILE 185 HA -0.31 0.06 0.43 -0.75 4.18 3.61 1cf3A1 ILE 185 HB -0.18 0.04 -0.01 -0.04 1.89 1.70 1cf3A1 ILE 185 HG12 -0.24 0.01 -0.01 -0.04 1.49 1.21 1cf3A1 ILE 185 HG13 -0.84 -0.05 -0.03 -0.04 1.21 0.25 1cf3A1 ILE 185 HG23 -0.08 0.01 -0.17 -0.04 0.93 0.65 1cf3A1 ILE 185 HD13 -0.12 0.06 -0.05 -0.04 0.88 0.72 1cf3A1 VAL 186 H -0.10 0.37 -0.24 -0.55 8.24 7.72 1cf3A1 VAL 186 HA -0.07 0.02 0.31 -0.75 4.13 3.64 1cf3A1 VAL 186 HB -0.08 0.17 0.12 -0.04 2.12 2.29 1cf3A1 VAL 186 HG13 -0.14 -0.01 -0.15 -0.04 0.97 0.63 1cf3A1 VAL 186 HG23 -0.09 -0.02 -0.14 -0.04 0.95 0.66 1cf3A1 LYS 187 H -0.06 0.23 -0.16 -0.55 8.42 7.87 1cf3A1 LYS 187 HA -0.06 0.05 0.47 -0.75 4.32 4.03 1cf3A1 LYS 187 HB2 -0.02 0.09 0.12 -0.04 1.87 2.01 1cf3A1 LYS 187 HB3 -0.02 -0.05 0.04 -0.04 1.79 1.71 1cf3A1 LYS 187 HG2 -0.05 -0.04 0.01 -0.04 1.46 1.34 1cf3A1 LYS 187 HG3 -0.06 0.16 0.07 -0.04 1.46 1.59 1cf3A1 LYS 187 HD2 -0.02 -0.09 0.02 -0.04 1.69 1.55 1cf3A1 LYS 187 HD3 -0.04 0.22 0.01 -0.04 1.68 1.83 1cf3A1 LYS 187 HE2 -0.02 0.03 0.03 -0.04 2.99 3.00 1cf3A1 LYS 187 HE3 -0.01 -0.04 0.05 -0.04 2.99 2.95 1cf3A1 ALA 188 H -0.03 0.40 -0.29 -0.55 8.40 7.93 1cf3A1 ALA 188 HA 0.06 -0.00 0.44 -0.75 4.34 4.08 1cf3A1 ALA 188 HB3 0.15 0.03 -0.06 -0.04 1.41 1.49 1cf3A1 LEU 189 H -0.01 0.61 -0.17 -0.55 8.37 8.25 1cf3A1 LEU 189 HA 0.03 0.06 0.44 -0.75 4.35 4.13 1cf3A1 LEU 189 HB2 0.07 0.03 0.02 -0.04 1.64 1.72 1cf3A1 LEU 189 HB3 -0.01 0.15 0.10 -0.04 1.64 1.84 1cf3A1 LEU 189 HG -0.03 -0.03 -0.35 -0.04 1.64 1.19 1cf3A1 LEU 189 HD13 0.16 -0.01 -0.06 -0.04 0.93 0.98 1cf3A1 LEU 189 HD23 0.18 -0.01 -0.16 -0.04 0.89 0.86 1cf3A1 MET 190 H -0.06 0.48 -0.16 -0.55 8.47 8.19 1cf3A1 MET 190 HA -0.14 0.00 0.43 -0.75 4.52 4.06 1cf3A1 MET 190 HB2 -0.07 0.12 0.24 -0.04 2.15 2.40 1cf3A1 MET 190 HB3 -0.09 -0.03 0.06 -0.04 2.03 1.93 1cf3A1 MET 190 HG2 -0.10 -0.02 0.07 -0.04 2.63 2.54 1cf3A1 MET 190 HG3 -0.08 0.13 0.05 -0.04 2.56 2.62 1cf3A1 MET 190 HE3 -0.13 -0.01 0.03 -0.04 2.10 1.96 1cf3A1 SER 191 H -0.04 0.61 -0.15 -0.55 8.46 8.33 1cf3A1 SER 191 HA -0.05 0.00 0.38 -0.75 4.49 4.06 1cf3A1 SER 191 HB2 -0.02 0.05 0.14 -0.04 3.95 4.08 1cf3A1 SER 191 HB3 -0.00 0.09 0.21 -0.04 3.93 4.18 1cf3A1 ALA 192 H -0.04 0.50 -0.24 -0.55 8.40 8.08 1cf3A1 ALA 192 HA -0.03 -0.08 0.43 -0.75 4.34 3.90 1cf3A1 ALA 192 HB3 -0.01 0.00 0.08 -0.04 1.41 1.44 1cf3A1 VAL 193 H -0.20 0.54 -0.16 -0.55 8.24 7.87 1cf3A1 VAL 193 HA -0.29 0.08 0.68 -0.75 4.13 3.84 1cf3A1 VAL 193 HB -0.83 -0.09 0.08 -0.04 2.12 1.24 1cf3A1 VAL 193 HG13 -0.91 0.04 -0.02 -0.04 0.97 0.04 1cf3A1 VAL 193 HG23 -0.41 0.05 0.03 -0.04 0.95 0.58 1cf3A1 GLU 194 H -0.14 0.62 -0.03 -0.55 8.60 8.50 1cf3A1 GLU 194 HA -0.11 0.18 0.45 -0.75 4.29 4.05 1cf3A1 GLU 194 HB2 -0.08 0.10 0.22 -0.04 2.09 2.30 1cf3A1 GLU 194 HB3 -0.06 -0.07 0.06 -0.04 1.99 1.87 1cf3A1 GLU 194 HG2 -0.09 -0.01 0.06 -0.04 2.34 2.27 1cf3A1 GLU 194 HG3 -0.11 0.10 0.03 -0.04 2.34 2.32 1cf3A1 ASP 195 H -0.06 0.43 -0.23 -0.55 8.40 7.99 1cf3A1 ASP 195 HA -0.03 0.00 0.35 -0.75 4.63 4.20 1cf3A1 ASP 195 HB2 -0.03 0.20 0.06 -0.04 2.71 2.90 1cf3A1 ASP 195 HB3 -0.01 -0.06 0.03 -0.04 2.70 2.62 1cf3A1 ARG 196 H -0.06 0.39 -0.50 -0.55 8.46 7.74 1cf3A1 ARG 196 HA 0.01 0.15 0.93 -0.75 4.34 4.68 1cf3A1 ARG 196 HB2 0.03 -0.00 0.06 -0.04 1.90 1.95 1cf3A1 ARG 196 HB3 0.05 -0.07 0.17 -0.04 1.80 1.91 1cf3A1 ARG 196 HG2 0.01 -0.04 -0.07 -0.04 1.67 1.53 1cf3A1 ARG 196 HG3 -0.04 0.21 0.10 -0.04 1.67 1.89 1cf3A1 ARG 196 HD2 0.06 -0.02 0.02 -0.04 3.22 3.23 1cf3A1 ARG 196 HD3 0.13 -0.05 0.02 -0.04 3.22 3.28 1cf3A1 GLY 197 H -0.03 0.54 -0.18 -0.55 8.43 8.21 1cf3A1 GLY 197 HA2 -0.01 0.03 0.29 -0.51 4.01 3.80 1cf3A1 GLY 197 HA3 0.02 0.01 0.45 -0.51 4.01 3.97 1cf3A1 VAL 198 H -0.08 0.43 -0.03 -0.55 8.24 8.01 1cf3A1 VAL 198 HA -0.02 0.12 0.79 -0.75 4.13 4.27 1cf3A1 VAL 198 HB -0.29 -0.00 -0.01 -0.04 2.12 1.77 1cf3A1 VAL 198 HG13 -0.29 0.03 -0.00 -0.04 0.97 0.67 1cf3A1 VAL 198 HG23 0.13 -0.01 -0.09 -0.04 0.95 0.94 1cf3A1 PRO 199 HA -0.11 0.09 0.47 -0.51 4.44 4.38 1cf3A1 PRO 199 HB2 -0.11 0.05 0.01 -0.04 2.28 2.19 1cf3A1 PRO 199 HB3 -0.09 0.03 0.11 -0.04 2.02 2.02 1cf3A1 PRO 199 HG2 -0.63 0.04 -0.12 -0.04 2.03 1.28 1cf3A1 PRO 199 HG3 -0.27 0.05 0.05 -0.04 2.03 1.81 1cf3A1 PRO 199 HD2 -0.42 -0.00 0.22 -0.04 3.68 3.44 1cf3A1 PRO 199 HD3 -0.15 0.26 0.25 -0.04 3.65 3.97 1cf3A1 THR 200 H -0.10 0.26 0.28 -0.55 8.28 8.18 1cf3A1 THR 200 HA -0.09 0.15 0.99 -0.75 4.39 4.69 1cf3A1 THR 200 HB -0.11 0.09 0.25 -0.04 4.32 4.51 1cf3A1 THR 200 HG23 -0.15 -0.01 -0.02 -0.04 1.22 1.01 1cf3A1 LYS 201 H -0.10 0.61 0.35 -0.55 8.42 8.72 1cf3A1 LYS 201 HA -0.09 0.01 0.43 -0.75 4.32 3.91 1cf3A1 LYS 201 HB2 -0.14 0.20 -0.05 -0.04 1.87 1.84 1cf3A1 LYS 201 HB3 -0.13 -0.08 0.17 -0.04 1.79 1.72 1cf3A1 LYS 201 HG2 -0.05 0.15 0.03 -0.04 1.46 1.55 1cf3A1 LYS 201 HG3 -0.09 -0.04 -0.00 -0.04 1.46 1.29 1cf3A1 LYS 201 HD2 -0.09 -0.03 -0.08 -0.04 1.69 1.44 1cf3A1 LYS 201 HD3 -0.11 -0.04 -0.04 -0.04 1.68 1.46 1cf3A1 LYS 201 HE2 -0.07 -0.00 -0.00 -0.04 2.99 2.88 1cf3A1 LYS 201 HE3 -0.06 -0.04 -0.03 -0.04 2.99 2.82 1cf3A1 LYS 202 H -0.04 0.08 -0.42 -0.55 8.42 7.49 1cf3A1 LYS 202 HA 0.04 0.01 0.38 -0.75 4.32 4.00 1cf3A1 LYS 202 HB2 0.16 0.03 -0.00 -0.04 1.87 2.02 1cf3A1 LYS 202 HB3 0.11 0.00 0.01 -0.04 1.79 1.86 1cf3A1 LYS 202 HG2 0.02 -0.04 0.03 -0.04 1.46 1.43 1cf3A1 LYS 202 HG3 0.01 -0.03 -0.03 -0.04 1.46 1.37 1cf3A1 LYS 202 HD2 0.06 0.10 0.03 -0.04 1.69 1.84 1cf3A1 LYS 202 HD3 0.15 0.11 0.10 -0.04 1.68 1.99 1cf3A1 LYS 202 HE2 0.10 -0.01 0.01 -0.04 2.99 3.05 1cf3A1 LYS 202 HE3 0.05 -0.05 0.02 -0.04 2.99 2.97 1cf3A1 ASP 203 H 0.21 0.07 0.18 -0.55 8.40 8.32 1cf3A1 ASP 203 HA 0.07 0.22 0.62 -0.75 4.63 4.78 1cf3A1 ASP 203 HB2 0.03 0.02 0.15 -0.04 2.71 2.87 1cf3A1 ASP 203 HB3 0.08 -0.03 0.22 -0.04 2.70 2.92 1cf3A1 PHE 204 H 0.10 0.30 0.24 -0.55 8.34 8.42 1cf3A1 PHE 204 HA -0.00 0.10 0.33 -0.75 4.62 4.29 1cf3A1 PHE 204 HB2 0.18 0.06 0.18 -0.04 3.15 3.53 1cf3A1 PHE 204 HB3 -0.04 -0.05 0.24 -0.04 3.06 3.18 1cf3A1 PHE 204 HD2 0.21 -0.04 -0.09 -0.04 7.28 7.32 1cf3A1 PHE 204 HE2 0.34 0.06 -0.12 -0.04 7.38 7.61 1cf3A1 PHE 204 HZ 0.36 0.24 -0.05 -0.04 7.32 7.83 1cf3A1 GLY 205 H 0.17 0.09 -0.41 -0.55 8.43 7.74 1cf3A1 GLY 205 HA2 0.05 0.06 0.77 -0.51 4.01 4.37 1cf3A1 GLY 205 HA3 -0.05 0.11 0.28 -0.51 4.01 3.85 1cf3A1 CYS 206 H 0.06 0.31 -0.19 -0.55 8.50 8.12 1cf3A1 CYS 206 HA 0.05 0.23 0.62 -0.75 4.58 4.73 1cf3A1 CYS 206 HB2 0.02 0.12 0.09 -0.04 2.97 3.16 1cf3A1 CYS 206 HB3 0.00 -0.01 0.07 -0.04 2.97 3.00 1cf3A1 GLY 207 H -0.07 0.13 -0.19 -0.55 8.43 7.76 1cf3A1 GLY 207 HA2 -0.81 0.17 0.25 -0.51 4.01 3.11 1cf3A1 GLY 207 HA3 -0.71 0.19 0.95 -0.51 4.01 3.94 1cf3A1 ASP 208 H -0.15 0.08 -0.19 -0.55 8.40 7.58 1cf3A1 ASP 208 HA -0.37 0.11 0.74 -0.75 4.63 4.35 1cf3A1 ASP 208 HB2 -0.28 0.03 -0.16 -0.04 2.71 2.27 1cf3A1 ASP 208 HB3 -0.08 -0.02 0.07 -0.04 2.70 2.63 1cf3A1 PRO 209 HA -0.10 0.07 0.65 -0.51 4.44 4.55 1cf3A1 PRO 209 HB2 -1.43 -0.01 0.15 -0.04 2.28 0.95 1cf3A1 PRO 209 HB3 -0.66 0.11 0.19 -0.04 2.02 1.63 1cf3A1 PRO 209 HG2 -0.32 -0.07 0.20 -0.04 2.03 1.80 1cf3A1 PRO 209 HG3 -0.36 0.22 0.08 -0.04 2.03 1.93 1cf3A1 PRO 209 HD2 -0.12 0.01 0.05 -0.04 3.68 3.57 1cf3A1 PRO 209 HD3 -0.27 0.14 -0.42 -0.04 3.65 3.06 1cf3A1 HIS 210 H 0.31 0.35 0.20 -0.55 8.41 8.73 1cf3A1 HIS 210 HA 0.22 0.15 0.77 -0.75 4.63 5.02 1cf3A1 HIS 210 HB2 0.11 0.02 -0.31 -0.04 3.26 3.04 1cf3A1 HIS 210 HB3 0.12 0.00 -0.06 -0.04 3.20 3.22 1cf3A1 HIS 210 HD2 0.29 0.14 0.25 -0.04 6.97 7.61 1cf3A1 HIS 210 HE1 0.11 0.03 0.04 -0.04 7.75 7.88 1cf3A1 GLY 211 H 0.57 0.52 0.33 -0.55 8.43 9.31 1cf3A1 GLY 211 HA2 0.01 -0.01 0.40 -0.51 4.01 3.90 1cf3A1 GLY 211 HA3 -0.03 0.24 0.70 -0.51 4.01 4.41 1cf3A1 VAL 212 H -0.11 0.48 0.37 -0.55 8.24 8.42 1cf3A1 VAL 212 HA 0.26 0.40 1.16 -0.75 4.13 5.19 1cf3A1 VAL 212 HB -0.17 -0.01 0.18 -0.04 2.12 2.08 1cf3A1 VAL 212 HG13 -0.01 -0.01 -0.22 -0.04 0.97 0.69 1cf3A1 VAL 212 HG23 -0.35 -0.01 -0.13 -0.04 0.95 0.42 1cf3A1 SER 213 H 0.24 0.52 0.39 -0.55 8.46 9.07 1cf3A1 SER 213 HA -0.16 0.09 0.85 -0.75 4.49 4.51 1cf3A1 SER 213 HB2 -1.39 -0.03 0.01 -0.04 3.95 2.50 1cf3A1 SER 213 HB3 -0.44 0.08 0.16 -0.04 3.93 3.69 1cf3A1 MET 214 H -0.27 0.15 0.21 -0.55 8.47 8.02 1cf3A1 MET 214 HA -0.62 0.17 0.79 -0.75 4.52 4.11 1cf3A1 MET 214 HB2 -0.90 -0.06 0.06 -0.04 2.15 1.21 1cf3A1 MET 214 HB3 -0.89 -0.01 0.25 -0.04 2.03 1.34 1cf3A1 MET 214 HG2 -0.38 0.14 0.04 -0.04 2.63 2.39 1cf3A1 MET 214 HG3 -0.34 -0.01 -0.08 -0.04 2.56 2.09 1cf3A1 MET 214 HE3 -0.24 0.04 0.10 -0.04 2.10 1.96 1cf3A1 PHE 215 H -0.73 0.28 0.24 -0.55 8.34 7.59 1cf3A1 PHE 215 HA 0.18 0.08 0.45 -0.75 4.62 4.58 1cf3A1 PHE 215 HB2 0.31 0.17 0.13 -0.04 3.15 3.72 1cf3A1 PHE 215 HB3 0.29 0.03 0.07 -0.04 3.06 3.41 1cf3A1 PHE 215 HD2 0.28 0.19 -0.27 -0.04 7.28 7.43 1cf3A1 PHE 215 HE2 0.09 -0.02 -0.20 -0.04 7.38 7.21 1cf3A1 PHE 215 HZ -0.40 0.02 -0.16 -0.04 7.32 6.74 1cf3A1 PRO 216 HA 0.20 0.07 0.39 -0.51 4.44 4.59 1cf3A1 PRO 216 HB2 0.22 0.04 -0.11 -0.04 2.28 2.39 1cf3A1 PRO 216 HB3 0.09 0.01 -0.05 -0.04 2.02 2.03 1cf3A1 PRO 216 HG2 0.52 0.05 0.01 -0.04 2.03 2.57 1cf3A1 PRO 216 HG3 0.24 0.02 -0.00 -0.04 2.03 2.25 1cf3A1 PRO 216 HD2 0.55 0.35 0.27 -0.04 3.68 4.81 1cf3A1 PRO 216 HD3 0.42 0.06 0.24 -0.04 3.65 4.33 1cf3A1 ASN 217 H 0.10 0.67 0.39 -0.55 8.53 9.14 1cf3A1 ASN 217 HA 0.26 0.31 0.91 -0.75 4.76 5.48 1cf3A1 ASN 217 HB2 0.14 0.01 0.03 -0.04 2.88 3.02 1cf3A1 ASN 217 HB3 0.13 0.00 -0.11 -0.04 2.79 2.77 1cf3A1 ASN 217 HD21 0.55 -0.07 -0.15 -0.04 7.03 7.32 1cf3A1 ASN 217 HD22 0.48 0.35 -0.26 -0.04 7.74 8.27 1cf3A1 THR 218 H 0.13 0.39 0.22 -0.55 8.28 8.47 1cf3A1 THR 218 HA -0.21 0.27 0.82 -0.75 4.39 4.52 1cf3A1 THR 218 HB 0.02 0.11 0.12 -0.04 4.32 4.54 1cf3A1 THR 218 HG23 0.05 0.01 -0.08 -0.04 1.22 1.15 1cf3A1 LEU 219 H -0.05 0.47 0.18 -0.55 8.37 8.42 1cf3A1 LEU 219 HA 0.10 0.02 0.44 -0.75 4.35 4.14 1cf3A1 LEU 219 HB2 0.05 -0.00 -0.29 -0.04 1.64 1.35 1cf3A1 LEU 219 HB3 0.05 0.01 -0.18 -0.04 1.64 1.48 1cf3A1 LEU 219 HG 0.06 -0.13 -0.57 -0.04 1.64 0.96 1cf3A1 LEU 219 HD13 0.01 0.03 -0.34 -0.04 0.93 0.59 1cf3A1 LEU 219 HD23 0.05 -0.03 -0.11 -0.04 0.89 0.76 1cf3A1 HIS 220 H 0.19 0.60 0.09 -0.55 8.41 8.74 1cf3A1 HIS 220 HA -0.06 0.17 0.50 -0.75 4.63 4.49 1cf3A1 HIS 220 HB2 -0.10 -0.12 0.06 -0.04 3.26 3.07 1cf3A1 HIS 220 HB3 -0.14 -0.09 0.13 -0.04 3.20 3.06 1cf3A1 HIS 220 HD2 -0.12 0.02 -0.21 -0.04 6.97 6.62 1cf3A1 HIS 220 HE1 -0.46 0.07 -0.04 -0.04 7.75 7.28 1cf3A1 GLU 221 H 0.02 0.18 0.11 -0.55 8.60 8.37 1cf3A1 GLU 221 HA -0.02 0.16 0.35 -0.75 4.29 4.03 1cf3A1 GLU 221 HB2 -0.01 0.04 0.15 -0.04 2.09 2.23 1cf3A1 GLU 221 HB3 -0.01 -0.01 0.10 -0.04 1.99 2.04 1cf3A1 GLU 221 HG2 -0.03 0.00 0.08 -0.04 2.34 2.36 1cf3A1 GLU 221 HG3 -0.05 0.04 0.06 -0.04 2.34 2.35 1cf3A1 ASP 222 H 0.02 0.04 -0.22 -0.55 8.40 7.70 1cf3A1 ASP 222 HA -0.01 0.17 0.36 -0.75 4.63 4.39 1cf3A1 ASP 222 HB2 -0.02 0.05 0.13 -0.04 2.71 2.82 1cf3A1 ASP 222 HB3 -0.01 0.00 0.05 -0.04 2.70 2.69 1cf3A1 GLN 223 H 0.02 0.55 -0.82 -0.55 8.47 7.67 1cf3A1 GLN 223 HA 0.02 0.14 0.15 -0.75 4.36 3.92 1cf3A1 GLN 223 HB2 -0.01 0.15 0.14 -0.04 2.15 2.39 1cf3A1 GLN 223 HB3 0.01 -0.15 0.18 -0.04 2.02 2.02 1cf3A1 GLN 223 HG2 -0.00 0.06 -0.27 -0.04 2.40 2.14 1cf3A1 GLN 223 HG3 -0.01 0.06 -0.03 -0.04 2.39 2.37 1cf3A1 GLN 223 HE21 0.00 0.14 0.05 -0.04 6.97 7.12 1cf3A1 GLN 223 HE22 -0.00 0.30 0.06 -0.04 7.69 8.00 1cf3A1 VAL 224 H -0.02 -0.06 -0.29 -0.55 8.24 7.33 1cf3A1 VAL 224 HA -0.04 0.28 0.60 -0.75 4.13 4.21 1cf3A1 VAL 224 HB -0.23 -0.10 0.04 -0.04 2.12 1.78 1cf3A1 VAL 224 HG13 -0.13 0.03 -0.02 -0.04 0.97 0.81 1cf3A1 VAL 224 HG23 -0.08 0.01 -0.10 -0.04 0.95 0.74 1cf3A1 ARG 225 H -0.01 0.50 0.37 -0.55 8.46 8.76 1cf3A1 ARG 225 HA 0.05 0.12 0.48 -0.75 4.34 4.23 1cf3A1 ARG 225 HB2 0.03 0.14 0.10 -0.04 1.90 2.12 1cf3A1 ARG 225 HB3 0.01 -0.12 0.12 -0.04 1.80 1.77 1cf3A1 ARG 225 HG2 0.08 -0.17 -0.42 -0.04 1.67 1.12 1cf3A1 ARG 225 HG3 0.08 0.03 -0.05 -0.04 1.67 1.69 1cf3A1 ARG 225 HD2 0.03 -0.13 -0.01 -0.04 3.22 3.07 1cf3A1 ARG 225 HD3 0.08 0.11 0.08 -0.04 3.22 3.45 1cf3A1 SER 226 H 0.09 0.62 0.02 -0.55 8.46 8.64 1cf3A1 SER 226 HA 0.16 0.11 0.59 -0.75 4.49 4.59 1cf3A1 SER 226 HB2 0.03 -0.05 0.02 -0.04 3.95 3.92 1cf3A1 SER 226 HB3 0.05 -0.06 0.03 -0.04 3.93 3.92 1cf3A1 ASP 227 H 0.08 0.33 -0.11 -0.55 8.40 8.15 1cf3A1 ASP 227 HA 0.18 0.16 0.44 -0.75 4.63 4.66 1cf3A1 ASP 227 HB2 0.11 -0.14 -0.12 -0.04 2.71 2.52 1cf3A1 ASP 227 HB3 0.08 0.25 -0.07 -0.04 2.70 2.92 1cf3A1 ALA 228 H 0.25 0.12 0.12 -0.55 8.40 8.35 1cf3A1 ALA 228 HA 0.53 0.18 0.22 -0.75 4.34 4.52 1cf3A1 ALA 228 HB3 0.34 0.00 0.02 -0.04 1.41 1.74 1cf3A1 ALA 229 H 0.18 0.10 -0.25 -0.55 8.40 7.88 1cf3A1 ALA 229 HA 0.22 0.11 0.45 -0.75 4.34 4.37 1cf3A1 ALA 229 HB3 0.19 0.00 -0.13 -0.04 1.41 1.43 1cf3A1 ARG 230 H 0.14 0.10 -0.23 -0.55 8.46 7.92 1cf3A1 ARG 230 HA 0.12 0.01 0.36 -0.75 4.34 4.08 1cf3A1 ARG 230 HB2 0.04 -0.08 0.09 -0.04 1.90 1.91 1cf3A1 ARG 230 HB3 0.08 0.11 0.09 -0.04 1.80 2.03 1cf3A1 ARG 230 HG2 0.02 0.07 -0.20 -0.04 1.67 1.52 1cf3A1 ARG 230 HG3 -0.02 -0.05 0.02 -0.04 1.67 1.58 1cf3A1 ARG 230 HD2 -0.15 0.16 -0.02 -0.04 3.22 3.17 1cf3A1 ARG 230 HD3 -0.51 -0.04 -0.07 -0.04 3.22 2.56 1cf3A1 GLU 231 H 0.15 0.37 -0.25 -0.55 8.60 8.32 1cf3A1 GLU 231 HA -0.05 0.17 0.56 -0.75 4.29 4.22 1cf3A1 GLU 231 HB2 0.00 -0.07 -0.10 -0.04 2.09 1.87 1cf3A1 GLU 231 HB3 -0.47 0.09 -0.16 -0.04 1.99 1.41 1cf3A1 GLU 231 HG2 0.11 0.09 -0.29 -0.04 2.34 2.20 1cf3A1 GLU 231 HG3 -0.03 -0.03 -0.11 -0.04 2.34 2.13 1cf3A1 TRP 232 H 0.30 0.34 -0.10 -0.55 7.97 7.96 1cf3A1 TRP 232 HA 0.07 0.28 0.87 -0.75 4.62 5.08 1cf3A1 TRP 232 HB2 0.12 -0.02 -0.11 -0.04 3.23 3.18 1cf3A1 TRP 232 HB3 0.09 0.09 -0.11 -0.04 3.23 3.25 1cf3A1 TRP 232 HD1 0.19 -0.06 -0.04 -0.04 7.22 7.26 1cf3A1 TRP 232 HE1 -0.34 -0.06 -0.10 -0.04 10.20 9.67 1cf3A1 TRP 232 HE3 0.05 0.04 -0.01 -0.04 7.59 7.63 1cf3A1 TRP 232 HZ2 -0.07 -0.04 -0.01 -0.04 7.44 7.27 1cf3A1 TRP 232 HZ3 0.04 0.05 -0.05 -0.04 7.13 7.12 1cf3A1 TRP 232 HH2 0.04 0.02 -0.03 -0.04 7.19 7.18 1cf3A1 LEU 233 H 0.25 0.22 0.05 -0.55 8.37 8.34 1cf3A1 LEU 233 HA 0.19 0.27 0.75 -0.75 4.35 4.80 1cf3A1 LEU 233 HB2 0.18 -0.08 -0.04 -0.04 1.64 1.67 1cf3A1 LEU 233 HB3 0.18 -0.01 0.15 -0.04 1.64 1.92 1cf3A1 LEU 233 HG 0.10 0.01 -0.22 -0.04 1.64 1.49 1cf3A1 LEU 233 HD13 0.11 0.03 -0.11 -0.04 0.93 0.93 1cf3A1 LEU 233 HD23 0.09 -0.04 -0.10 -0.04 0.89 0.80 1cf3A1 LEU 234 H 0.15 0.49 0.11 -0.55 8.37 8.57 1cf3A1 LEU 234 HA 0.16 -0.05 0.29 -0.75 4.35 4.00 1cf3A1 LEU 234 HB2 0.12 -0.11 0.10 -0.04 1.64 1.71 1cf3A1 LEU 234 HB3 0.09 0.28 0.16 -0.04 1.64 2.13 1cf3A1 LEU 234 HG 0.10 0.06 -0.09 -0.04 1.64 1.67 1cf3A1 LEU 234 HD13 -0.03 -0.03 0.03 -0.04 0.93 0.86 1cf3A1 LEU 234 HD23 0.07 -0.02 -0.01 -0.04 0.89 0.89 1cf3A1 PRO 235 HA 0.05 0.04 0.40 -0.51 4.44 4.41 1cf3A1 PRO 235 HB2 0.01 0.09 -0.20 -0.04 2.28 2.13 1cf3A1 PRO 235 HB3 0.01 -0.01 0.05 -0.04 2.02 2.02 1cf3A1 PRO 235 HG2 -0.04 0.25 -0.07 -0.04 2.03 2.13 1cf3A1 PRO 235 HG3 0.02 -0.01 0.01 -0.04 2.03 2.01 1cf3A1 PRO 235 HD2 0.09 0.03 -0.68 -0.04 3.68 3.08 1cf3A1 PRO 235 HD3 0.07 0.23 -0.03 -0.04 3.65 3.88 1cf3A1 ASN 236 H 0.11 0.28 -0.67 -0.55 8.53 7.70 1cf3A1 ASN 236 HA -0.01 0.17 0.92 -0.75 4.76 5.09 1cf3A1 ASN 236 HB2 0.11 0.09 0.01 -0.04 2.88 3.05 1cf3A1 ASN 236 HB3 0.06 -0.02 0.13 -0.04 2.79 2.92 1cf3A1 ASN 236 HD21 0.12 -0.06 -0.08 -0.04 7.03 6.97 1cf3A1 ASN 236 HD22 0.19 0.44 0.05 -0.04 7.74 8.38 1cf3A1 TYR 237 H 0.12 0.27 -0.09 -0.55 8.29 8.04 1cf3A1 TYR 237 HA 0.01 0.09 0.21 -0.75 4.56 4.12 1cf3A1 TYR 237 HB2 -0.03 -0.03 0.04 -0.04 3.06 3.00 1cf3A1 TYR 237 HB3 -0.01 0.08 0.04 -0.04 2.98 3.04 1cf3A1 TYR 237 HD2 -0.03 0.24 -0.04 -0.04 7.15 7.28 1cf3A1 TYR 237 HE2 -0.03 0.04 -0.12 -0.04 6.85 6.69 1cf3A1 GLN 238 H -0.50 0.04 -0.29 -0.55 8.47 7.18 1cf3A1 GLN 238 HA -0.16 0.14 0.47 -0.75 4.36 4.05 1cf3A1 GLN 238 HB2 -0.32 -0.01 0.01 -0.04 2.15 1.79 1cf3A1 GLN 238 HB3 -0.16 -0.00 0.01 -0.04 2.02 1.82 1cf3A1 GLN 238 HG2 -0.18 0.03 -0.01 -0.04 2.40 2.19 1cf3A1 GLN 238 HG3 -0.92 -0.05 -0.10 -0.04 2.39 1.28 1cf3A1 GLN 238 HE21 -0.16 -0.03 -0.02 -0.04 6.97 6.72 1cf3A1 GLN 238 HE22 -0.68 -0.02 -0.04 -0.04 7.69 6.91 1cf3A1 ARG 239 H -0.06 0.24 -0.29 -0.55 8.46 7.79 1cf3A1 ARG 239 HA -0.02 0.00 0.38 -0.75 4.34 3.95 1cf3A1 ARG 239 HB2 0.01 0.09 0.12 -0.04 1.90 2.07 1cf3A1 ARG 239 HB3 0.01 -0.09 0.00 -0.04 1.80 1.68 1cf3A1 ARG 239 HG2 -0.01 -0.04 0.05 -0.04 1.67 1.64 1cf3A1 ARG 239 HG3 -0.01 -0.03 0.09 -0.04 1.67 1.67 1cf3A1 ARG 239 HD2 0.03 -0.01 0.00 -0.04 3.22 3.20 1cf3A1 ARG 239 HD3 0.02 0.20 -0.04 -0.04 3.22 3.35 1cf3A1 PRO 240 HA 0.01 0.17 0.45 -0.51 4.44 4.55 1cf3A1 PRO 240 HB2 0.01 -0.01 0.06 -0.04 2.28 2.31 1cf3A1 PRO 240 HB3 0.00 0.01 0.15 -0.04 2.02 2.15 1cf3A1 PRO 240 HG2 0.01 0.04 0.08 -0.04 2.03 2.12 1cf3A1 PRO 240 HG3 -0.00 -0.02 0.10 -0.04 2.03 2.07 1cf3A1 PRO 240 HD2 -0.01 0.05 0.24 -0.04 3.68 3.93 1cf3A1 PRO 240 HD3 -0.02 0.17 0.23 -0.04 3.65 4.00 1cf3A1 ASN 241 H 0.01 0.09 -0.26 -0.55 8.53 7.83 1cf3A1 ASN 241 HA 0.03 0.12 0.77 -0.75 4.76 4.92 1cf3A1 ASN 241 HB2 0.02 0.09 0.14 -0.04 2.88 3.09 1cf3A1 ASN 241 HB3 0.02 0.01 -0.02 -0.04 2.79 2.76 1cf3A1 ASN 241 HD21 0.00 0.15 -0.09 -0.04 7.03 7.05 1cf3A1 ASN 241 HD22 0.00 0.52 0.08 -0.04 7.74 8.30 1cf3A1 LEU 242 H 0.02 0.38 -0.35 -0.55 8.37 7.88 1cf3A1 LEU 242 HA 0.03 0.11 0.96 -0.75 4.35 4.71 1cf3A1 LEU 242 HB2 0.04 -0.01 -0.02 -0.04 1.64 1.60 1cf3A1 LEU 242 HB3 0.04 0.18 0.12 -0.04 1.64 1.93 1cf3A1 LEU 242 HG 0.06 -0.02 -0.26 -0.04 1.64 1.38 1cf3A1 LEU 242 HD13 0.04 -0.01 -0.17 -0.04 0.93 0.75 1cf3A1 LEU 242 HD23 0.08 0.01 -0.17 -0.04 0.89 0.77 1cf3A1 GLN 243 H 0.03 0.70 0.31 -0.55 8.47 8.97 1cf3A1 GLN 243 HA 0.02 0.24 0.94 -0.75 4.36 4.81 1cf3A1 GLN 243 HB2 0.01 -0.03 0.10 -0.04 2.15 2.20 1cf3A1 GLN 243 HB3 0.00 -0.07 -0.03 -0.04 2.02 1.88 1cf3A1 GLN 243 HG2 0.02 0.04 -0.45 -0.04 2.40 1.97 1cf3A1 GLN 243 HG3 0.02 -0.05 -0.10 -0.04 2.39 2.22 1cf3A1 GLN 243 HE21 0.02 -0.02 0.06 -0.04 6.97 6.99 1cf3A1 GLN 243 HE22 0.03 0.40 0.02 -0.04 7.69 8.09 1cf3A1 VAL 244 H 0.01 0.32 0.14 -0.55 8.24 8.16 1cf3A1 VAL 244 HA -0.01 0.17 1.11 -0.75 4.13 4.65 1cf3A1 VAL 244 HB 0.00 0.01 0.09 -0.04 2.12 2.19 1cf3A1 VAL 244 HG13 0.01 -0.04 -0.25 -0.04 0.97 0.65 1cf3A1 VAL 244 HG23 0.04 0.01 -0.24 -0.04 0.95 0.72 1cf3A1 LEU 245 H -0.06 0.72 0.29 -0.55 8.37 8.77 1cf3A1 LEU 245 HA -0.06 0.20 0.86 -0.75 4.35 4.59 1cf3A1 LEU 245 HB2 -0.14 0.00 -0.10 -0.04 1.64 1.36 1cf3A1 LEU 245 HB3 -0.18 -0.02 0.09 -0.04 1.64 1.48 1cf3A1 LEU 245 HG -0.17 0.04 -0.41 -0.04 1.64 1.06 1cf3A1 LEU 245 HD13 -0.08 0.04 -0.38 -0.04 0.93 0.46 1cf3A1 LEU 245 HD23 -0.60 -0.03 -0.23 -0.04 0.89 -0.01 1cf3A1 THR 246 H -0.04 0.70 0.30 -0.55 8.28 8.69 1cf3A1 THR 246 HA -0.04 0.19 1.18 -0.75 4.39 4.97 1cf3A1 THR 246 HB -0.01 0.19 0.24 -0.04 4.32 4.71 1cf3A1 THR 246 HG23 0.00 -0.06 -0.14 -0.04 1.22 0.98 1cf3A1 GLY 247 H -0.04 0.38 0.03 -0.55 8.43 8.25 1cf3A1 GLY 247 HA2 -0.02 0.22 0.35 -0.51 4.01 4.05 1cf3A1 GLY 247 HA3 0.01 -0.01 0.37 -0.51 4.01 3.87 1cf3A1 GLN 248 H -0.05 0.34 -0.14 -0.55 8.47 8.07 1cf3A1 GLN 248 HA 0.16 0.24 0.90 -0.75 4.36 4.90 1cf3A1 GLN 248 HB2 -0.04 -0.08 -0.26 -0.04 2.15 1.73 1cf3A1 GLN 248 HB3 0.30 -0.06 -0.12 -0.04 2.02 2.09 1cf3A1 GLN 248 HG2 0.03 0.19 -0.52 -0.04 2.40 2.06 1cf3A1 GLN 248 HG3 0.03 -0.07 -0.27 -0.04 2.39 2.03 1cf3A1 GLN 248 HE21 0.12 -0.08 -0.02 -0.04 6.97 6.95 1cf3A1 GLN 248 HE22 0.07 0.15 -0.09 -0.04 7.69 7.79 1cf3A1 TYR 249 H 0.44 0.66 0.24 -0.55 8.29 9.08 1cf3A1 TYR 249 HA 0.18 0.02 0.80 -0.75 4.56 4.81 1cf3A1 TYR 249 HB2 0.40 0.17 0.08 -0.04 3.06 3.67 1cf3A1 TYR 249 HB3 0.27 0.07 -0.24 -0.04 2.98 3.05 1cf3A1 TYR 249 HD2 0.25 0.04 0.00 -0.04 7.15 7.40 1cf3A1 TYR 249 HE2 0.14 0.00 -0.04 -0.04 6.85 6.91 1cf3A1 VAL 250 H 0.19 0.07 0.05 -0.55 8.24 8.00 1cf3A1 VAL 250 HA 0.27 0.13 0.71 -0.75 4.13 4.49 1cf3A1 VAL 250 HB 0.11 -0.09 0.09 -0.04 2.12 2.19 1cf3A1 VAL 250 HG13 0.10 0.02 -0.23 -0.04 0.97 0.83 1cf3A1 VAL 250 HG23 0.08 -0.00 -0.07 -0.04 0.95 0.92 1cf3A1 GLY 251 H 0.22 0.60 0.34 -0.55 8.43 9.05 1cf3A1 GLY 251 HA2 -0.27 0.10 0.55 -0.51 4.01 3.88 1cf3A1 GLY 251 HA3 -0.27 -0.03 0.20 -0.51 4.01 3.40 1cf3A1 LYS 252 H 0.06 0.28 0.25 -0.55 8.42 8.45 1cf3A1 LYS 252 HA 0.06 0.17 0.53 -0.75 4.32 4.33 1cf3A1 LYS 252 HB2 0.05 0.06 0.01 -0.04 1.87 1.95 1cf3A1 LYS 252 HB3 0.02 0.14 -0.27 -0.04 1.79 1.63 1cf3A1 LYS 252 HG2 0.02 -0.18 -0.11 -0.04 1.46 1.15 1cf3A1 LYS 252 HG3 0.03 0.02 -0.32 -0.04 1.46 1.15 1cf3A1 LYS 252 HD2 0.02 0.18 -0.06 -0.04 1.69 1.78 1cf3A1 LYS 252 HD3 -0.02 0.00 -0.10 -0.04 1.68 1.51 1cf3A1 LYS 252 HE2 0.01 -0.07 -0.07 -0.04 2.99 2.83 1cf3A1 LYS 252 HE3 0.02 -0.07 -0.11 -0.04 2.99 2.79 1cf3A1 VAL 253 H 0.04 0.24 0.13 -0.55 8.24 8.11 1cf3A1 VAL 253 HA 0.04 0.14 0.93 -0.75 4.13 4.48 1cf3A1 VAL 253 HB 0.03 0.03 0.07 -0.04 2.12 2.20 1cf3A1 VAL 253 HG13 0.03 0.04 -0.07 -0.04 0.97 0.93 1cf3A1 VAL 253 HG23 0.03 -0.02 -0.10 -0.04 0.95 0.82 1cf3A1 LEU 254 H 0.03 0.64 0.22 -0.55 8.37 8.72 1cf3A1 LEU 254 HA 0.04 0.13 0.68 -0.75 4.35 4.45 1cf3A1 LEU 254 HB2 0.07 -0.11 0.00 -0.04 1.64 1.56 1cf3A1 LEU 254 HB3 0.08 0.05 -0.05 -0.04 1.64 1.68 1cf3A1 LEU 254 HG -0.00 -0.09 -0.42 -0.04 1.64 1.09 1cf3A1 LEU 254 HD13 -0.06 0.01 -0.20 -0.04 0.93 0.65 1cf3A1 LEU 254 HD23 0.02 0.02 -0.20 -0.04 0.89 0.69 1cf3A1 LEU 255 H 0.03 0.24 0.17 -0.55 8.37 8.27 1cf3A1 LEU 255 HA 0.03 0.30 1.04 -0.75 4.35 4.96 1cf3A1 LEU 255 HB2 0.02 0.01 0.06 -0.04 1.64 1.69 1cf3A1 LEU 255 HB3 0.02 0.00 -0.20 -0.04 1.64 1.43 1cf3A1 LEU 255 HG 0.02 0.01 -0.38 -0.04 1.64 1.25 1cf3A1 LEU 255 HD13 0.01 0.03 -0.08 -0.04 0.93 0.85 1cf3A1 LEU 255 HD23 0.02 -0.00 -0.28 -0.04 0.89 0.59 1cf3A1 SER 256 H 0.03 0.71 0.32 -0.55 8.46 8.96 1cf3A1 SER 256 HA 0.02 0.15 0.90 -0.75 4.49 4.81 1cf3A1 SER 256 HB2 0.02 0.03 0.04 -0.04 3.95 4.00 1cf3A1 SER 256 HB3 0.01 0.08 0.14 -0.04 3.93 4.12 1cf3A1 GLN 257 H 0.01 0.19 0.11 -0.55 8.47 8.23 1cf3A1 GLN 257 HA 0.01 0.21 0.78 -0.75 4.36 4.60 1cf3A1 GLN 257 HB2 0.01 -0.01 0.10 -0.04 2.15 2.20 1cf3A1 GLN 257 HB3 0.00 0.03 0.23 -0.04 2.02 2.23 1cf3A1 GLN 257 HG2 0.00 0.05 0.03 -0.04 2.40 2.45 1cf3A1 GLN 257 HG3 0.01 -0.00 -0.16 -0.04 2.39 2.19 1cf3A1 GLN 257 HE21 0.01 0.03 -0.02 -0.04 6.97 6.95 1cf3A1 GLN 257 HE22 0.01 -0.02 -0.16 -0.04 7.69 7.48 1cf3A1 ASN 258 H 0.00 0.10 -0.27 -0.55 8.53 7.81 1cf3A1 ASN 258 HA 0.00 0.26 0.89 -0.75 4.76 5.15 1cf3A1 ASN 258 HB2 -0.00 -0.06 0.03 -0.04 2.88 2.81 1cf3A1 ASN 258 HB3 -0.00 0.01 0.15 -0.04 2.79 2.91 1cf3A1 ASN 258 HD21 -0.00 -0.02 0.03 -0.04 7.03 7.00 1cf3A1 ASN 258 HD22 -0.01 -0.01 0.06 -0.04 7.74 7.75 1cf3A1 GLY 259 H 0.00 0.39 -0.50 -0.55 8.43 7.78 1cf3A1 GLY 259 HA2 0.00 0.09 0.47 -0.51 4.01 4.06 1cf3A1 GLY 259 HA3 0.00 0.04 0.21 -0.51 4.01 3.75 1cf3A1 THR 260 H 0.00 0.10 0.11 -0.55 8.28 7.94 1cf3A1 THR 260 HA 0.00 0.11 0.53 -0.75 4.39 4.28 1cf3A1 THR 260 HB 0.01 -0.05 0.17 -0.04 4.32 4.40 1cf3A1 THR 260 HG23 0.01 0.01 -0.11 -0.04 1.22 1.08 1cf3A1 THR 261 H 0.01 0.01 0.00 -0.55 8.28 7.76 1cf3A1 THR 261 HA 0.01 0.28 0.89 -0.75 4.39 4.82 1cf3A1 THR 261 HB 0.01 -0.07 0.02 -0.04 4.32 4.24 1cf3A1 THR 261 HG23 0.02 0.08 -0.19 -0.04 1.22 1.09 1cf3A1 PRO 262 HA 0.01 0.20 0.51 -0.51 4.44 4.65 1cf3A1 PRO 262 HB2 0.01 -0.05 -0.01 -0.04 2.28 2.20 1cf3A1 PRO 262 HB3 0.01 0.01 0.00 -0.04 2.02 2.00 1cf3A1 PRO 262 HG2 0.01 0.08 0.06 -0.04 2.03 2.14 1cf3A1 PRO 262 HG3 0.01 0.04 0.08 -0.04 2.03 2.11 1cf3A1 PRO 262 HD2 0.01 0.34 0.33 -0.04 3.68 4.31 1cf3A1 PRO 262 HD3 0.01 0.20 0.30 -0.04 3.65 4.11 1cf3A1 ARG 263 H 0.01 0.47 0.35 -0.55 8.46 8.74 1cf3A1 ARG 263 HA 0.02 0.18 1.09 -0.75 4.34 4.87 1cf3A1 ARG 263 HB2 0.01 0.02 -0.05 -0.04 1.90 1.83 1cf3A1 ARG 263 HB3 0.01 -0.10 0.09 -0.04 1.80 1.76 1cf3A1 ARG 263 HG2 0.01 0.11 -0.34 -0.04 1.67 1.42 1cf3A1 ARG 263 HG3 0.01 0.05 -0.04 -0.04 1.67 1.65 1cf3A1 ARG 263 HD2 0.00 -0.08 -0.04 -0.04 3.22 3.07 1cf3A1 ARG 263 HD3 -0.00 -0.08 -0.05 -0.04 3.22 3.05 1cf3A1 ALA 264 H 0.02 0.62 0.26 -0.55 8.40 8.76 1cf3A1 ALA 264 HA 0.03 0.18 0.76 -0.75 4.34 4.57 1cf3A1 ALA 264 HB3 0.03 0.00 0.07 -0.04 1.41 1.47 1cf3A1 VAL 265 H 0.06 0.53 0.38 -0.55 8.24 8.66 1cf3A1 VAL 265 HA 0.06 0.38 1.02 -0.75 4.13 4.84 1cf3A1 VAL 265 HB 0.12 -0.03 0.11 -0.04 2.12 2.28 1cf3A1 VAL 265 HG13 0.03 0.03 -0.14 -0.04 0.97 0.85 1cf3A1 VAL 265 HG23 0.12 -0.01 -0.17 -0.04 0.95 0.86 1cf3A1 GLY 266 H 0.06 0.30 0.29 -0.55 8.43 8.54 1cf3A1 GLY 266 HA2 0.04 0.00 0.34 -0.51 4.01 3.88 1cf3A1 GLY 266 HA3 -0.02 0.22 0.72 -0.51 4.01 4.41 1cf3A1 VAL 267 H -0.05 0.65 0.38 -0.55 8.24 8.67 1cf3A1 VAL 267 HA 0.03 0.15 1.06 -0.75 4.13 4.62 1cf3A1 VAL 267 HB 0.10 0.10 0.09 -0.04 2.12 2.37 1cf3A1 VAL 267 HG13 0.05 -0.03 -0.19 -0.04 0.97 0.77 1cf3A1 VAL 267 HG23 0.13 -0.02 -0.22 -0.04 0.95 0.80 1cf3A1 GLU 268 H 0.07 0.51 0.29 -0.55 8.60 8.92 1cf3A1 GLU 268 HA -0.04 0.29 1.02 -0.75 4.29 4.80 1cf3A1 GLU 268 HB2 0.01 0.01 -0.00 -0.04 2.09 2.07 1cf3A1 GLU 268 HB3 0.07 -0.11 0.14 -0.04 1.99 2.04 1cf3A1 GLU 268 HG2 0.00 0.08 -0.04 -0.04 2.34 2.34 1cf3A1 GLU 268 HG3 -0.07 0.00 -0.05 -0.04 2.34 2.19 1cf3A1 PHE 269 H -0.26 0.75 0.39 -0.55 8.34 8.67 1cf3A1 PHE 269 HA 0.22 0.14 0.99 -0.75 4.62 5.21 1cf3A1 PHE 269 HB2 0.13 0.00 -0.16 -0.04 3.15 3.09 1cf3A1 PHE 269 HB3 0.09 -0.06 -0.20 -0.04 3.06 2.84 1cf3A1 PHE 269 HD2 0.07 0.00 -0.29 -0.04 7.28 7.02 1cf3A1 PHE 269 HE2 -0.04 0.01 -0.28 -0.04 7.38 7.03 1cf3A1 PHE 269 HZ -0.06 0.08 -0.14 -0.04 7.32 7.15 1cf3A1 GLY 270 H 0.42 0.62 0.31 -0.55 8.43 9.23 1cf3A1 GLY 270 HA2 0.15 0.05 0.33 -0.51 4.01 4.03 1cf3A1 GLY 270 HA3 -0.30 0.19 0.79 -0.51 4.01 4.18 1cf3A1 THR 271 H -0.10 0.28 0.33 -0.55 8.28 8.24 1cf3A1 THR 271 HA 0.27 0.18 0.98 -0.75 4.39 5.06 1cf3A1 THR 271 HB 0.15 0.01 0.14 -0.04 4.32 4.58 1cf3A1 THR 271 HG23 0.19 -0.00 -0.00 -0.04 1.22 1.36 1cf3A1 HIS 272 H -0.26 0.23 0.20 -0.55 8.41 8.04 1cf3A1 HIS 272 HA 0.00 0.19 0.62 -0.75 4.63 4.69 1cf3A1 HIS 272 HB2 -0.01 0.17 -0.33 -0.04 3.26 3.04 1cf3A1 HIS 272 HB3 -0.07 -0.08 -0.11 -0.04 3.20 2.91 1cf3A1 HIS 272 HD2 0.03 0.16 0.05 -0.04 6.97 7.17 1cf3A1 HIS 272 HE1 -0.01 0.05 0.00 -0.04 7.75 7.74 1cf3A1 LYS 273 H -0.78 0.21 0.06 -0.55 8.42 7.36 1cf3A1 LYS 273 HA -0.08 0.08 0.25 -0.75 4.32 3.81 1cf3A1 LYS 273 HB2 -0.08 0.08 0.05 -0.04 1.87 1.88 1cf3A1 LYS 273 HB3 -0.17 -0.04 0.08 -0.04 1.79 1.63 1cf3A1 LYS 273 HG2 -0.43 -0.01 0.05 -0.04 1.46 1.03 1cf3A1 LYS 273 HG3 -0.05 0.03 -0.07 -0.04 1.46 1.32 1cf3A1 LYS 273 HD2 -0.04 0.04 -0.04 -0.04 1.69 1.60 1cf3A1 LYS 273 HD3 -0.08 -0.01 -0.00 -0.04 1.68 1.55 1cf3A1 LYS 273 HE2 -0.00 0.03 -0.01 -0.04 2.99 2.96 1cf3A1 LYS 273 HE3 0.03 -0.00 -0.01 -0.04 2.99 2.96 1cf3A1 GLY 274 H 0.26 0.05 -0.24 -0.55 8.43 7.96 1cf3A1 GLY 274 HA2 -0.02 0.16 0.53 -0.51 4.01 4.17 1cf3A1 GLY 274 HA3 0.06 0.00 0.28 -0.51 4.01 3.84 1cf3A1 ASN 275 H -0.11 0.53 -0.50 -0.55 8.53 7.91 1cf3A1 ASN 275 HA -0.16 0.20 0.85 -0.75 4.76 4.89 1cf3A1 ASN 275 HB2 -0.02 -0.00 -0.22 -0.04 2.88 2.60 1cf3A1 ASN 275 HB3 -0.03 -0.16 0.17 -0.04 2.79 2.73 1cf3A1 ASN 275 HD21 0.10 -0.03 -0.00 -0.04 7.03 7.06 1cf3A1 ASN 275 HD22 -0.06 0.11 0.09 -0.04 7.74 7.85 1cf3A1 THR 276 H -0.33 0.24 0.03 -0.55 8.28 7.67 1cf3A1 THR 276 HA -0.39 0.25 1.14 -0.75 4.39 4.64 1cf3A1 THR 276 HB -0.22 0.02 0.10 -0.04 4.32 4.18 1cf3A1 THR 276 HG23 -0.38 -0.01 -0.18 -0.04 1.22 0.61 1cf3A1 HIS 277 H -0.51 0.72 0.42 -0.55 8.41 8.49 1cf3A1 HIS 277 HA -0.27 0.14 0.67 -0.75 4.63 4.42 1cf3A1 HIS 277 HB2 -1.69 -0.04 -0.05 -0.04 3.26 1.44 1cf3A1 HIS 277 HB3 -0.38 0.01 0.09 -0.04 3.20 2.87 1cf3A1 HIS 277 HD2 -0.24 0.02 -0.23 -0.04 6.97 6.48 1cf3A1 HIS 277 HE1 -0.03 -0.01 -0.08 -0.04 7.75 7.58 1cf3A1 ASN 278 H -0.10 0.18 0.21 -0.55 8.53 8.26 1cf3A1 ASN 278 HA -0.16 0.32 1.19 -0.75 4.76 5.36 1cf3A1 ASN 278 HB2 -0.08 -0.03 0.08 -0.04 2.88 2.81 1cf3A1 ASN 278 HB3 -0.46 0.07 -0.03 -0.04 2.79 2.33 1cf3A1 ASN 278 HD21 0.01 0.01 -0.09 -0.04 7.03 6.92 1cf3A1 ASN 278 HD22 0.08 0.01 -0.05 -0.04 7.74 7.74 1cf3A1 VAL 279 H -0.20 0.60 0.35 -0.55 8.24 8.44 1cf3A1 VAL 279 HA -0.07 0.17 0.77 -0.75 4.13 4.25 1cf3A1 VAL 279 HB 0.11 -0.11 -0.04 -0.04 2.12 2.04 1cf3A1 VAL 279 HG13 0.06 0.05 -0.13 -0.04 0.97 0.91 1cf3A1 VAL 279 HG23 0.32 0.03 -0.30 -0.04 0.95 0.96 1cf3A1 TYR 280 H 0.11 0.62 0.24 -0.55 8.29 8.71 1cf3A1 TYR 280 HA 0.04 0.11 1.22 -0.75 4.56 5.18 1cf3A1 TYR 280 HB2 0.03 0.04 0.09 -0.04 3.06 3.17 1cf3A1 TYR 280 HB3 0.02 0.13 0.10 -0.04 2.98 3.18 1cf3A1 TYR 280 HD2 0.03 0.20 -0.15 -0.04 7.15 7.19 1cf3A1 TYR 280 HE2 0.02 -0.02 -0.11 -0.04 6.85 6.70 1cf3A1 ALA 281 H 0.13 0.80 0.18 -0.55 8.40 8.97 1cf3A1 ALA 281 HA 0.05 0.30 0.98 -0.75 4.34 4.91 1cf3A1 ALA 281 HB3 0.03 -0.01 -0.23 -0.04 1.41 1.15 1cf3A1 LYS 282 H -0.01 0.60 0.29 -0.55 8.42 8.75 1cf3A1 LYS 282 HA -0.08 0.05 0.52 -0.75 4.32 4.06 1cf3A1 LYS 282 HB2 -0.02 -0.04 -0.01 -0.04 1.87 1.76 1cf3A1 LYS 282 HB3 -0.02 -0.06 0.08 -0.04 1.79 1.74 1cf3A1 LYS 282 HG2 -0.45 0.05 -0.15 -0.04 1.46 0.87 1cf3A1 LYS 282 HG3 -0.14 -0.02 0.06 -0.04 1.46 1.32 1cf3A1 LYS 282 HD2 -0.01 -0.03 -0.03 -0.04 1.69 1.58 1cf3A1 LYS 282 HD3 0.04 -0.02 -0.03 -0.04 1.68 1.64 1cf3A1 LYS 282 HE2 -0.06 0.05 0.00 -0.04 2.99 2.95 1cf3A1 LYS 282 HE3 -0.08 -0.02 0.01 -0.04 2.99 2.86 1cf3A1 HIS 283 H -0.12 0.46 0.23 -0.55 8.41 8.42 1cf3A1 HIS 283 HA -0.09 0.20 1.02 -0.75 4.63 5.00 1cf3A1 HIS 283 HB2 -1.01 0.07 0.13 -0.04 3.26 2.42 1cf3A1 HIS 283 HB3 -0.38 -0.06 -0.04 -0.04 3.20 2.67 1cf3A1 HIS 283 HD2 -0.05 -0.11 0.02 -0.04 6.97 6.79 1cf3A1 HIS 283 HE1 -0.08 0.22 0.05 -0.04 7.75 7.89 1cf3A1 GLU 284 H -0.28 0.28 0.28 -0.55 8.60 8.34 1cf3A1 GLU 284 HA 0.05 0.36 0.79 -0.75 4.29 4.73 1cf3A1 GLU 284 HB2 0.34 -0.11 -0.22 -0.04 2.09 2.06 1cf3A1 GLU 284 HB3 0.14 0.01 -0.16 -0.04 1.99 1.94 1cf3A1 GLU 284 HG2 0.16 0.24 -0.37 -0.04 2.34 2.32 1cf3A1 GLU 284 HG3 0.43 -0.05 -0.29 -0.04 2.34 2.40 1cf3A1 VAL 285 H 0.07 0.75 0.36 -0.55 8.24 8.87 1cf3A1 VAL 285 HA 0.08 0.09 0.87 -0.75 4.13 4.41 1cf3A1 VAL 285 HB 0.04 0.04 0.23 -0.04 2.12 2.39 1cf3A1 VAL 285 HG13 0.04 -0.03 -0.17 -0.04 0.97 0.77 1cf3A1 VAL 285 HG23 0.05 0.04 -0.15 -0.04 0.95 0.85 1cf3A1 LEU 286 H 0.07 0.84 0.36 -0.55 8.37 9.09 1cf3A1 LEU 286 HA 0.02 0.20 0.96 -0.75 4.35 4.77 1cf3A1 LEU 286 HB2 0.02 -0.04 0.11 -0.04 1.64 1.68 1cf3A1 LEU 286 HB3 -0.01 -0.05 -0.11 -0.04 1.64 1.43 1cf3A1 LEU 286 HG 0.15 0.07 -0.30 -0.04 1.64 1.52 1cf3A1 LEU 286 HD13 -0.07 -0.00 -0.19 -0.04 0.93 0.63 1cf3A1 LEU 286 HD23 0.07 0.03 -0.29 -0.04 0.89 0.66 1cf3A1 LEU 287 H -0.02 0.84 0.37 -0.55 8.37 9.02 1cf3A1 LEU 287 HA -0.00 0.08 0.86 -0.75 4.35 4.53 1cf3A1 LEU 287 HB2 -0.04 -0.02 0.24 -0.04 1.64 1.79 1cf3A1 LEU 287 HB3 -0.02 -0.13 0.09 -0.04 1.64 1.53 1cf3A1 LEU 287 HG -0.00 0.16 -0.04 -0.04 1.64 1.71 1cf3A1 LEU 287 HD13 -0.02 0.01 -0.06 -0.04 0.93 0.83 1cf3A1 LEU 287 HD23 0.02 0.00 -0.17 -0.04 0.89 0.70 1cf3A1 ALA 288 H -0.01 0.73 0.32 -0.55 8.40 8.89 1cf3A1 ALA 288 HA -0.05 -0.04 0.74 -0.75 4.34 4.23 1cf3A1 ALA 288 HB3 -0.03 0.03 -0.07 -0.04 1.41 1.29 1cf3A1 ALA 289 H -0.02 0.16 0.07 -0.55 8.40 8.06 1cf3A1 ALA 289 HA 0.01 0.09 0.57 -0.75 4.34 4.26 1cf3A1 ALA 289 HB3 0.00 0.04 0.03 -0.04 1.41 1.44 1cf3A1 GLY 290 H -0.03 -0.00 -0.27 -0.55 8.43 7.57 1cf3A1 GLY 290 HA2 0.00 -0.05 0.33 -0.51 4.01 3.79 1cf3A1 GLY 290 HA3 -0.00 0.28 0.75 -0.51 4.01 4.52 1cf3A1 SER 291 H 0.01 0.22 0.09 -0.55 8.46 8.23 1cf3A1 SER 291 HA -0.06 0.01 0.19 -0.75 4.49 3.88 1cf3A1 SER 291 HB2 -0.02 0.04 -0.22 -0.04 3.95 3.71 1cf3A1 SER 291 HB3 -0.01 -0.04 -0.33 -0.04 3.93 3.50 1cf3A1 ALA 292 H -0.09 0.02 -0.32 -0.55 8.40 7.47 1cf3A1 ALA 292 HA -0.00 0.21 0.54 -0.75 4.34 4.34 1cf3A1 ALA 292 HB3 -0.54 0.02 -0.06 -0.04 1.41 0.79 1cf3A1 VAL 293 H -0.17 0.18 -0.43 -0.55 8.24 7.27 1cf3A1 VAL 293 HA -0.27 0.29 0.91 -0.75 4.13 4.31 1cf3A1 VAL 293 HB -0.09 -0.06 -0.12 -0.04 2.12 1.81 1cf3A1 VAL 293 HG13 0.01 0.01 -0.12 -0.04 0.97 0.82 1cf3A1 VAL 293 HG23 -0.30 -0.01 -0.17 -0.04 0.95 0.43 1cf3A1 SER 294 H -0.08 0.42 -0.01 -0.55 8.46 8.24 1cf3A1 SER 294 HA -0.04 0.03 0.38 -0.75 4.49 4.10 1cf3A1 SER 294 HB2 -0.08 0.05 -0.04 -0.04 3.95 3.84 1cf3A1 SER 294 HB3 -0.07 0.09 -0.07 -0.04 3.93 3.84 1cf3A1 PRO 295 HA -0.09 0.07 0.38 -0.51 4.44 4.30 1cf3A1 PRO 295 HB2 -0.11 0.13 -0.18 -0.04 2.28 2.08 1cf3A1 PRO 295 HB3 -0.10 0.11 -0.01 -0.04 2.02 1.98 1cf3A1 PRO 295 HG2 -0.14 0.06 -0.28 -0.04 2.03 1.63 1cf3A1 PRO 295 HG3 -0.11 0.14 -0.08 -0.04 2.03 1.94 1cf3A1 PRO 295 HD2 -0.11 -0.08 -0.51 -0.04 3.68 2.94 1cf3A1 PRO 295 HD3 -0.10 0.02 -0.12 -0.04 3.65 3.41 1cf3A1 THR 296 H -0.15 0.20 -0.38 -0.55 8.28 7.39 1cf3A1 THR 296 HA -0.27 0.02 0.55 -0.75 4.39 3.94 1cf3A1 THR 296 HB -0.36 -0.02 0.01 -0.04 4.32 3.91 1cf3A1 THR 296 HG23 -0.25 -0.01 -0.11 -0.04 1.22 0.82 1cf3A1 ILE 297 H -0.04 0.37 -0.24 -0.55 8.25 7.79 1cf3A1 ILE 297 HA 0.19 0.19 0.36 -0.75 4.18 4.17 1cf3A1 ILE 297 HB 0.01 0.05 0.11 -0.04 1.89 2.02 1cf3A1 ILE 297 HG12 0.10 0.20 -0.14 -0.04 1.49 1.60 1cf3A1 ILE 297 HG13 0.06 0.05 -0.10 -0.04 1.21 1.18 1cf3A1 ILE 297 HG23 0.05 -0.01 -0.25 -0.04 0.93 0.67 1cf3A1 ILE 297 HD13 0.05 -0.07 -0.11 -0.04 0.88 0.71 1cf3A1 LEU 298 H -0.04 0.37 -0.09 -0.55 8.37 8.06 1cf3A1 LEU 298 HA -0.01 -0.03 0.41 -0.75 4.35 3.97 1cf3A1 LEU 298 HB2 -0.06 0.15 0.22 -0.04 1.64 1.90 1cf3A1 LEU 298 HB3 -0.04 0.11 0.05 -0.04 1.64 1.71 1cf3A1 LEU 298 HG -0.04 0.03 0.02 -0.04 1.64 1.61 1cf3A1 LEU 298 HD13 -0.06 -0.02 -0.06 -0.04 0.93 0.75 1cf3A1 LEU 298 HD23 -0.02 -0.01 -0.07 -0.04 0.89 0.74 1cf3A1 GLU 299 H -0.12 0.47 -0.09 -0.55 8.60 8.31 1cf3A1 GLU 299 HA -0.08 0.05 0.35 -0.75 4.29 3.85 1cf3A1 GLU 299 HB2 -0.28 0.04 0.20 -0.04 2.09 2.01 1cf3A1 GLU 299 HB3 -0.19 -0.05 0.00 -0.04 1.99 1.71 1cf3A1 GLU 299 HG2 -0.07 -0.09 0.08 -0.04 2.34 2.22 1cf3A1 GLU 299 HG3 -0.08 0.13 0.10 -0.04 2.34 2.45 1cf3A1 TYR 300 H -0.20 0.65 -0.08 -0.55 8.29 8.11 1cf3A1 TYR 300 HA -0.04 0.02 0.37 -0.75 4.56 4.16 1cf3A1 TYR 300 HB2 -0.06 0.13 0.20 -0.04 3.06 3.29 1cf3A1 TYR 300 HB3 -0.08 -0.07 0.03 -0.04 2.98 2.83 1cf3A1 TYR 300 HD2 -0.08 0.07 -0.05 -0.04 7.15 7.05 1cf3A1 TYR 300 HE2 -0.07 0.10 -0.11 -0.04 6.85 6.73 1cf3A1 SER 301 H 0.05 0.36 -0.39 -0.55 8.46 7.93 1cf3A1 SER 301 HA 0.04 0.10 0.75 -0.75 4.49 4.63 1cf3A1 SER 301 HB2 0.02 0.06 0.12 -0.04 3.95 4.10 1cf3A1 SER 301 HB3 0.03 0.08 0.23 -0.04 3.93 4.22 1cf3A1 GLY 302 H 0.00 0.45 -0.35 -0.55 8.43 7.99 1cf3A1 GLY 302 HA2 -0.01 0.01 0.13 -0.51 4.01 3.63 1cf3A1 GLY 302 HA3 -0.00 0.18 0.69 -0.51 4.01 4.37 1cf3A1 ILE 303 H -0.02 0.58 -0.04 -0.55 8.25 8.22 1cf3A1 ILE 303 HA -0.03 0.22 1.01 -0.75 4.18 4.63 1cf3A1 ILE 303 HB -0.02 -0.01 0.10 -0.04 1.89 1.91 1cf3A1 ILE 303 HG12 -0.01 0.03 -0.10 -0.04 1.49 1.37 1cf3A1 ILE 303 HG13 -0.01 0.01 -0.43 -0.04 1.21 0.74 1cf3A1 ILE 303 HG23 -0.03 -0.02 -0.13 -0.04 0.93 0.72 1cf3A1 ILE 303 HD13 -0.00 -0.02 -0.10 -0.04 0.88 0.72 1cf3A1 GLY 304 H -0.05 0.66 0.35 -0.55 8.43 8.85 1cf3A1 GLY 304 HA2 -0.07 0.04 0.42 -0.51 4.01 3.89 1cf3A1 GLY 304 HA3 -0.07 0.08 0.57 -0.51 4.01 4.09 1cf3A1 MET 305 H -0.11 0.20 0.24 -0.55 8.47 8.25 1cf3A1 MET 305 HA -0.10 0.09 0.67 -0.75 4.52 4.42 1cf3A1 MET 305 HB2 -0.19 -0.03 0.10 -0.04 2.15 1.99 1cf3A1 MET 305 HB3 -0.14 -0.08 0.02 -0.04 2.03 1.80 1cf3A1 MET 305 HG2 -0.16 0.07 -0.10 -0.04 2.63 2.40 1cf3A1 MET 305 HG3 -0.13 0.11 0.14 -0.04 2.56 2.64 1cf3A1 MET 305 HE3 -0.19 -0.00 -0.04 -0.04 2.10 1.82 1cf3A1 LYS 306 H -0.08 0.20 0.22 -0.55 8.42 8.20 1cf3A1 LYS 306 HA -0.06 0.10 0.19 -0.75 4.32 3.79 1cf3A1 LYS 306 HB2 -0.05 0.08 0.13 -0.04 1.87 1.99 1cf3A1 LYS 306 HB3 -0.06 -0.02 0.14 -0.04 1.79 1.82 1cf3A1 LYS 306 HG2 -0.05 0.00 -0.19 -0.04 1.46 1.19 1cf3A1 LYS 306 HG3 -0.04 -0.00 0.08 -0.04 1.46 1.46 1cf3A1 LYS 306 HD2 -0.03 0.01 -0.00 -0.04 1.69 1.63 1cf3A1 LYS 306 HD3 -0.03 0.05 0.03 -0.04 1.68 1.69 1cf3A1 LYS 306 HE2 -0.03 0.03 0.02 -0.04 2.99 2.97 1cf3A1 LYS 306 HE3 -0.04 -0.02 0.04 -0.04 2.99 2.93 1cf3A1 SER 307 H -0.09 0.06 -0.14 -0.55 8.46 7.74 1cf3A1 SER 307 HA -0.07 0.09 0.42 -0.75 4.49 4.17 1cf3A1 SER 307 HB2 -0.09 0.06 0.08 -0.04 3.95 3.96 1cf3A1 SER 307 HB3 -0.08 -0.03 0.09 -0.04 3.93 3.87 1cf3A1 ILE 308 H -0.16 0.18 -0.36 -0.55 8.25 7.37 1cf3A1 ILE 308 HA -0.18 0.14 0.63 -0.75 4.18 4.02 1cf3A1 ILE 308 HB -0.22 0.07 0.11 -0.04 1.89 1.81 1cf3A1 ILE 308 HG12 -0.35 -0.15 -0.02 -0.04 1.49 0.93 1cf3A1 ILE 308 HG13 -0.79 0.04 0.04 -0.04 1.21 0.46 1cf3A1 ILE 308 HG23 -0.22 0.00 -0.12 -0.04 0.93 0.56 1cf3A1 ILE 308 HD13 -0.53 0.02 -0.07 -0.04 0.88 0.26 1cf3A1 LEU 309 H -0.10 0.40 -0.02 -0.55 8.37 8.10 1cf3A1 LEU 309 HA -0.06 0.09 0.37 -0.75 4.35 4.00 1cf3A1 LEU 309 HB2 -0.05 -0.03 -0.08 -0.04 1.64 1.43 1cf3A1 LEU 309 HB3 -0.04 0.03 -0.15 -0.04 1.64 1.44 1cf3A1 LEU 309 HG -0.09 0.13 -0.20 -0.04 1.64 1.45 1cf3A1 LEU 309 HD13 -0.05 -0.01 -0.40 -0.04 0.93 0.43 1cf3A1 LEU 309 HD23 -0.08 0.02 -0.15 -0.04 0.89 0.63 1cf3A1 GLU 310 H -0.06 0.63 0.02 -0.55 8.60 8.64 1cf3A1 GLU 310 HA -0.03 0.10 0.27 -0.75 4.29 3.88 1cf3A1 GLU 310 HB2 -0.04 -0.05 0.14 -0.04 2.09 2.11 1cf3A1 GLU 310 HB3 -0.04 0.06 0.12 -0.04 1.99 2.10 1cf3A1 GLU 310 HG2 -0.02 0.00 -0.17 -0.04 2.34 2.11 1cf3A1 GLU 310 HG3 -0.02 -0.03 0.03 -0.04 2.34 2.28 1cf3A1 PRO 311 HA -0.02 0.02 0.29 -0.51 4.44 4.22 1cf3A1 PRO 311 HB2 -0.03 0.08 -0.07 -0.04 2.28 2.21 1cf3A1 PRO 311 HB3 -0.03 -0.04 0.08 -0.04 2.02 1.99 1cf3A1 PRO 311 HG2 -0.06 0.20 0.03 -0.04 2.03 2.16 1cf3A1 PRO 311 HG3 -0.04 -0.05 0.05 -0.04 2.03 1.95 1cf3A1 PRO 311 HD2 -0.06 0.10 -0.66 -0.04 3.68 3.02 1cf3A1 PRO 311 HD3 -0.05 0.03 0.06 -0.04 3.65 3.65 1cf3A1 LEU 312 H -0.02 0.38 -0.65 -0.55 8.37 7.53 1cf3A1 LEU 312 HA 0.00 0.09 0.65 -0.75 4.35 4.33 1cf3A1 LEU 312 HB2 -0.01 0.16 -0.05 -0.04 1.64 1.70 1cf3A1 LEU 312 HB3 0.02 -0.17 -0.08 -0.04 1.64 1.37 1cf3A1 LEU 312 HG -0.03 0.14 -0.13 -0.04 1.64 1.58 1cf3A1 LEU 312 HD13 -0.02 -0.01 -0.32 -0.04 0.93 0.54 1cf3A1 LEU 312 HD23 0.01 -0.02 -0.25 -0.04 0.89 0.58 1cf3A1 GLY 313 H -0.01 0.61 -0.12 -0.55 8.43 8.37 1cf3A1 GLY 313 HA2 -0.00 -0.00 0.27 -0.51 4.01 3.76 1cf3A1 GLY 313 HA3 0.00 0.01 0.49 -0.51 4.01 4.00 1cf3A1 ILE 314 H -0.01 0.44 -0.07 -0.55 8.25 8.07 1cf3A1 ILE 314 HA 0.00 0.15 0.85 -0.75 4.18 4.43 1cf3A1 ILE 314 HB -0.01 -0.02 -0.04 -0.04 1.89 1.78 1cf3A1 ILE 314 HG12 0.03 0.06 -0.05 -0.04 1.49 1.50 1cf3A1 ILE 314 HG13 0.02 -0.01 -0.45 -0.04 1.21 0.74 1cf3A1 ILE 314 HG23 0.00 0.03 -0.27 -0.04 0.93 0.65 1cf3A1 ILE 314 HD13 0.05 0.02 -0.11 -0.04 0.88 0.80 1cf3A1 ASP 315 H -0.00 0.18 0.04 -0.55 8.40 8.06 1cf3A1 ASP 315 HA -0.01 0.03 0.56 -0.75 4.63 4.45 1cf3A1 ASP 315 HB2 -0.00 -0.01 0.03 -0.04 2.71 2.68 1cf3A1 ASP 315 HB3 -0.00 0.02 0.10 -0.04 2.70 2.77 1cf3A1 THR 316 H -0.02 0.09 0.10 -0.55 8.28 7.90 1cf3A1 THR 316 HA -0.02 0.14 0.51 -0.75 4.39 4.27 1cf3A1 THR 316 HB -0.03 -0.04 0.13 -0.04 4.32 4.34 1cf3A1 THR 316 HG23 -0.04 -0.01 -0.28 -0.04 1.22 0.84 1cf3A1 VAL 317 H -0.01 0.62 0.40 -0.55 8.24 8.69 1cf3A1 VAL 317 HA -0.01 0.05 0.64 -0.75 4.13 4.06 1cf3A1 VAL 317 HB -0.00 0.02 0.07 -0.04 2.12 2.17 1cf3A1 VAL 317 HG13 0.00 -0.02 -0.08 -0.04 0.97 0.83 1cf3A1 VAL 317 HG23 0.00 0.03 0.05 -0.04 0.95 0.99 1cf3A1 VAL 318 H -0.01 0.41 0.23 -0.55 8.24 8.32 1cf3A1 VAL 318 HA -0.01 0.18 0.91 -0.75 4.13 4.46 1cf3A1 VAL 318 HB -0.01 -0.09 0.08 -0.04 2.12 2.06 1cf3A1 VAL 318 HG13 0.01 0.04 -0.18 -0.04 0.97 0.79 1cf3A1 VAL 318 HG23 0.00 0.01 -0.20 -0.04 0.95 0.73 1cf3A1 ASP 319 H -0.02 0.17 0.07 -0.55 8.40 8.07 1cf3A1 ASP 319 HA -0.05 0.42 0.85 -0.75 4.63 5.10 1cf3A1 ASP 319 HB2 -0.04 0.01 0.10 -0.04 2.71 2.74 1cf3A1 ASP 319 HB3 -0.04 0.00 0.19 -0.04 2.70 2.81 1cf3A1 LEU 320 H -0.06 0.29 0.13 -0.55 8.37 8.17 1cf3A1 LEU 320 HA -0.08 0.22 0.70 -0.75 4.35 4.43 1cf3A1 LEU 320 HB2 -0.04 -0.05 -0.10 -0.04 1.64 1.40 1cf3A1 LEU 320 HB3 -0.04 0.06 -0.07 -0.04 1.64 1.56 1cf3A1 LEU 320 HG 0.00 -0.02 -0.44 -0.04 1.64 1.14 1cf3A1 LEU 320 HD13 0.05 0.05 -0.03 -0.04 0.93 0.96 1cf3A1 LEU 320 HD23 0.05 0.03 0.06 -0.04 0.89 0.99 1cf3A1 PRO 321 HA -0.25 0.06 0.49 -0.51 4.44 4.24 1cf3A1 PRO 321 HB2 -0.58 0.03 0.17 -0.04 2.28 1.86 1cf3A1 PRO 321 HB3 -0.96 -0.06 0.05 -0.04 2.02 1.01 1cf3A1 PRO 321 HG2 -0.20 0.31 -0.09 -0.04 2.03 2.01 1cf3A1 PRO 321 HG3 -0.37 -0.06 0.01 -0.04 2.03 1.57 1cf3A1 PRO 321 HD2 -0.09 0.23 0.02 -0.04 3.68 3.80 1cf3A1 PRO 321 HD3 -0.15 0.10 0.12 -0.04 3.65 3.68 1cf3A1 VAL 322 H -0.09 0.34 -0.17 -0.55 8.24 7.77 1cf3A1 VAL 322 HA -0.07 0.08 0.42 -0.75 4.13 3.80 1cf3A1 VAL 322 HB -0.05 -0.09 0.23 -0.04 2.12 2.17 1cf3A1 VAL 322 HG13 -0.07 0.01 0.01 -0.04 0.97 0.89 1cf3A1 VAL 322 HG23 -0.06 0.03 -0.13 -0.04 0.95 0.75 1cf3A1 GLY 323 H -0.09 0.71 0.43 -0.55 8.43 8.94 1cf3A1 GLY 323 HA2 -0.14 -0.12 0.46 -0.51 4.01 3.70 1cf3A1 GLY 323 HA3 -0.17 0.22 0.50 -0.51 4.01 4.06 1cf3A1 LEU 324 H -0.07 0.27 -0.23 -0.55 8.37 7.80 1cf3A1 LEU 324 HA 0.00 0.20 0.92 -0.75 4.35 4.72 1cf3A1 LEU 324 HB2 -0.05 0.04 0.01 -0.04 1.64 1.59 1cf3A1 LEU 324 HB3 0.07 0.03 -0.01 -0.04 1.64 1.70 1cf3A1 LEU 324 HG -0.08 0.06 -0.24 -0.04 1.64 1.34 1cf3A1 LEU 324 HD13 -0.26 -0.06 -0.15 -0.04 0.93 0.43 1cf3A1 LEU 324 HD23 0.06 0.04 -0.18 -0.04 0.89 0.77 1cf3A1 ASN 325 H 0.16 0.69 0.34 -0.55 8.53 9.17 1cf3A1 ASN 325 HA 0.06 -0.01 0.37 -0.75 4.76 4.44 1cf3A1 ASN 325 HB2 0.33 -0.11 -0.23 -0.04 2.88 2.84 1cf3A1 ASN 325 HB3 0.02 0.35 0.24 -0.04 2.79 3.36 1cf3A1 ASN 325 HD21 -0.24 0.04 0.12 -0.04 7.03 6.91 1cf3A1 ASN 325 HD22 -0.11 0.02 0.13 -0.04 7.74 7.74 1cf3A1 LEU 326 H -0.07 0.46 -0.24 -0.55 8.37 7.97 1cf3A1 LEU 326 HA -0.11 0.16 0.38 -0.75 4.35 4.03 1cf3A1 LEU 326 HB2 -0.22 0.05 -0.29 -0.04 1.64 1.14 1cf3A1 LEU 326 HB3 -0.24 -0.06 -0.45 -0.04 1.64 0.85 1cf3A1 LEU 326 HG -0.30 -0.08 -0.42 -0.04 1.64 0.80 1cf3A1 LEU 326 HD13 -0.14 -0.01 -0.25 -0.04 0.93 0.50 1cf3A1 LEU 326 HD23 -0.84 -0.00 -0.37 -0.04 0.89 -0.36 1cf3A1 GLN 327 H -0.06 0.57 0.29 -0.55 8.47 8.72 1cf3A1 GLN 327 HA -0.06 0.18 0.92 -0.75 4.36 4.65 1cf3A1 GLN 327 HB2 0.01 -0.04 0.08 -0.04 2.15 2.16 1cf3A1 GLN 327 HB3 0.03 -0.05 -0.05 -0.04 2.02 1.91 1cf3A1 GLN 327 HG2 -0.04 0.10 -0.11 -0.04 2.40 2.31 1cf3A1 GLN 327 HG3 -0.07 0.14 -0.54 -0.04 2.39 1.88 1cf3A1 GLN 327 HE21 -0.15 0.32 -0.09 -0.04 6.97 7.01 1cf3A1 GLN 327 HE22 -0.11 0.42 0.04 -0.04 7.69 8.00 1cf3A1 ASP 328 H -0.07 0.30 0.07 -0.55 8.40 8.16 1cf3A1 ASP 328 HA 0.07 0.23 0.76 -0.75 4.63 4.94 1cf3A1 ASP 328 HB2 0.07 -0.03 -0.21 -0.04 2.71 2.50 1cf3A1 ASP 328 HB3 0.09 0.04 -0.07 -0.04 2.70 2.72 1cf3A1 GLN 329 H 0.02 -0.02 0.11 -0.55 8.47 8.04 1cf3A1 GLN 329 HA 0.03 0.22 0.84 -0.75 4.36 4.69 1cf3A1 GLN 329 HB2 -0.16 -0.11 0.02 -0.04 2.15 1.86 1cf3A1 GLN 329 HB3 0.07 0.12 0.08 -0.04 2.02 2.25 1cf3A1 GLN 329 HG2 0.13 0.23 0.01 -0.04 2.40 2.72 1cf3A1 GLN 329 HG3 0.08 -0.10 -0.26 -0.04 2.39 2.06 1cf3A1 GLN 329 HE21 0.26 -0.02 0.10 -0.04 6.97 7.27 1cf3A1 GLN 329 HE22 0.18 0.51 0.18 -0.04 7.69 8.52 1cf3A1 THR 330 H -0.05 0.20 0.22 -0.55 8.28 8.11 1cf3A1 THR 330 HA -0.22 0.18 0.91 -0.75 4.39 4.50 1cf3A1 THR 330 HB -0.22 0.13 -0.10 -0.04 4.32 4.10 1cf3A1 THR 330 HG23 -1.20 -0.01 -0.13 -0.04 1.22 -0.16 1cf3A1 THR 331 H 0.02 0.72 0.31 -0.55 8.28 8.79 1cf3A1 THR 331 HA 0.19 0.39 1.11 -0.75 4.39 5.33 1cf3A1 THR 331 HB -0.10 0.06 -0.01 -0.04 4.32 4.24 1cf3A1 THR 331 HG23 0.16 -0.01 -0.15 -0.04 1.22 1.18 1cf3A1 ALA 332 H 0.20 0.51 0.42 -0.55 8.40 8.98 1cf3A1 ALA 332 HA 0.22 0.22 0.79 -0.75 4.34 4.82 1cf3A1 ALA 332 HB3 0.27 0.01 0.12 -0.04 1.41 1.76 1cf3A1 THR 333 H 0.26 0.27 0.19 -0.55 8.28 8.45 1cf3A1 THR 333 HA 0.23 0.37 1.23 -0.75 4.39 5.47 1cf3A1 THR 333 HB 0.20 -0.02 0.05 -0.04 4.32 4.50 1cf3A1 THR 333 HG23 0.19 0.00 -0.20 -0.04 1.22 1.17 1cf3A1 VAL 334 H 0.27 0.69 0.32 -0.55 8.24 8.97 1cf3A1 VAL 334 HA 0.25 0.28 0.74 -0.75 4.13 4.64 1cf3A1 VAL 334 HB 0.25 -0.07 0.08 -0.04 2.12 2.34 1cf3A1 VAL 334 HG13 0.25 0.00 -0.08 -0.04 0.97 1.10 1cf3A1 VAL 334 HG23 0.19 0.01 -0.10 -0.04 0.95 1.01 1cf3A1 ARG 335 H 0.20 0.66 0.36 -0.55 8.46 9.13 1cf3A1 ARG 335 HA 0.17 0.33 1.22 -0.75 4.34 5.31 1cf3A1 ARG 335 HB2 0.15 0.01 -0.12 -0.04 1.90 1.90 1cf3A1 ARG 335 HB3 0.13 -0.11 0.05 -0.04 1.80 1.82 1cf3A1 ARG 335 HG2 0.08 -0.01 -0.24 -0.04 1.67 1.46 1cf3A1 ARG 335 HG3 0.09 0.04 -0.04 -0.04 1.67 1.72 1cf3A1 ARG 335 HD2 0.08 -0.02 -0.13 -0.04 3.22 3.11 1cf3A1 ARG 335 HD3 0.07 0.03 -0.12 -0.04 3.22 3.15 1cf3A1 SER 336 H 0.13 0.66 0.34 -0.55 8.46 9.04 1cf3A1 SER 336 HA 0.08 -0.00 1.10 -0.75 4.49 4.91 1cf3A1 SER 336 HB2 0.23 0.04 0.05 -0.04 3.95 4.22 1cf3A1 SER 336 HB3 0.08 0.06 -0.05 -0.04 3.93 3.97 1cf3A1 ARG 337 H -0.10 0.87 0.26 -0.55 8.46 8.94 1cf3A1 ARG 337 HA -0.01 0.07 0.65 -0.75 4.34 4.29 1cf3A1 ARG 337 HB2 -0.06 -0.03 0.05 -0.04 1.90 1.82 1cf3A1 ARG 337 HB3 -0.14 0.07 -0.14 -0.04 1.80 1.55 1cf3A1 ARG 337 HG2 -0.04 0.11 0.02 -0.04 1.67 1.72 1cf3A1 ARG 337 HG3 -0.02 -0.04 0.08 -0.04 1.67 1.65 1cf3A1 ARG 337 HD2 -0.07 0.12 0.03 -0.04 3.22 3.26 1cf3A1 ARG 337 HD3 -0.03 -0.07 0.02 -0.04 3.22 3.10 1cf3A1 ILE 338 H -0.00 0.25 0.22 -0.55 8.25 8.17 1cf3A1 ILE 338 HA 0.04 0.39 1.11 -0.75 4.18 4.97 1cf3A1 ILE 338 HB 0.10 -0.06 0.08 -0.04 1.89 1.97 1cf3A1 ILE 338 HG12 0.02 -0.01 -0.29 -0.04 1.49 1.17 1cf3A1 ILE 338 HG13 0.02 0.02 -0.25 -0.04 1.21 0.96 1cf3A1 ILE 338 HG23 0.06 -0.00 -0.32 -0.04 0.93 0.63 1cf3A1 ILE 338 HD13 -0.00 -0.06 -0.34 -0.04 0.88 0.44 1cf3A1 THR 339 H 0.13 0.32 0.21 -0.55 8.28 8.38 1cf3A1 THR 339 HA 0.03 0.15 0.58 -0.75 4.39 4.40 1cf3A1 THR 339 HB 0.04 -0.11 0.17 -0.04 4.32 4.37 1cf3A1 THR 339 HG23 0.02 0.08 -0.06 -0.04 1.22 1.22 1cf3A1 SER 340 H 0.03 0.17 0.18 -0.55 8.46 8.30 1cf3A1 SER 340 HA 0.03 0.13 0.35 -0.75 4.49 4.25 1cf3A1 SER 340 HB2 0.03 -0.01 0.11 -0.04 3.95 4.03 1cf3A1 SER 340 HB3 0.02 0.02 0.06 -0.04 3.93 4.00 1cf3A1 ALA 341 H 0.08 0.06 -0.20 -0.55 8.40 7.80 1cf3A1 ALA 341 HA 0.09 0.07 0.39 -0.75 4.34 4.13 1cf3A1 ALA 341 HB3 0.16 0.01 0.04 -0.04 1.41 1.58 1cf3A1 GLY 342 H 0.16 0.33 -0.46 -0.55 8.43 7.91 1cf3A1 GLY 342 HA2 -0.21 0.03 0.48 -0.51 4.01 3.80 1cf3A1 GLY 342 HA3 -0.06 -0.02 0.23 -0.51 4.01 3.64 1cf3A1 ALA 343 H 0.02 0.47 -0.33 -0.55 8.40 8.01 1cf3A1 ALA 343 HA -0.02 -0.06 0.35 -0.75 4.34 3.86 1cf3A1 ALA 343 HB3 -0.00 -0.02 0.07 -0.04 1.41 1.42 1cf3A1 GLY 344 H -0.03 0.02 0.17 -0.55 8.43 8.04 1cf3A1 GLY 344 HA2 -0.05 -0.02 0.30 -0.51 4.01 3.72 1cf3A1 GLY 344 HA3 -0.04 0.27 0.55 -0.51 4.01 4.27 1cf3A1 GLN 345 H -0.14 0.59 0.28 -0.55 8.47 8.65 1cf3A1 GLN 345 HA -0.05 0.07 0.79 -0.75 4.36 4.41 1cf3A1 GLN 345 HB2 -0.10 -0.07 0.14 -0.04 2.15 2.08 1cf3A1 GLN 345 HB3 -0.13 0.00 0.11 -0.04 2.02 1.96 1cf3A1 GLN 345 HG2 -0.39 0.29 -0.14 -0.04 2.40 2.11 1cf3A1 GLN 345 HG3 -0.56 -0.02 -0.23 -0.04 2.39 1.53 1cf3A1 GLN 345 HE21 -0.47 -0.20 0.00 -0.04 6.97 6.26 1cf3A1 GLN 345 HE22 -0.74 0.47 -0.21 -0.04 7.69 7.17 1cf3A1 GLY 346 H 0.01 0.11 0.16 -0.55 8.43 8.16 1cf3A1 GLY 346 HA2 0.12 0.00 0.47 -0.51 4.01 4.09 1cf3A1 GLY 346 HA3 0.08 0.23 0.88 -0.51 4.01 4.69 1cf3A1 GLN 347 H -0.07 0.20 0.27 -0.55 8.47 8.32 1cf3A1 GLN 347 HA -0.10 0.39 1.04 -0.75 4.36 4.93 1cf3A1 GLN 347 HB2 -0.08 -0.08 0.10 -0.04 2.15 2.05 1cf3A1 GLN 347 HB3 -0.12 0.10 0.13 -0.04 2.02 2.09 1cf3A1 GLN 347 HG2 0.15 0.09 0.07 -0.04 2.40 2.66 1cf3A1 GLN 347 HG3 0.10 -0.20 -0.16 -0.04 2.39 2.09 1cf3A1 GLN 347 HE21 0.32 0.02 -0.02 -0.04 6.97 7.26 1cf3A1 GLN 347 HE22 0.35 0.02 -0.02 -0.04 7.69 8.00 1cf3A1 ALA 348 H -0.26 0.56 0.39 -0.55 8.40 8.54 1cf3A1 ALA 348 HA -0.31 0.17 0.65 -0.75 4.34 4.09 1cf3A1 ALA 348 HB3 -0.10 0.00 -0.10 -0.04 1.41 1.17 1cf3A1 ALA 349 H 0.28 0.54 0.35 -0.55 8.40 9.02 1cf3A1 ALA 349 HA 0.15 0.28 0.92 -0.75 4.34 4.93 1cf3A1 ALA 349 HB3 0.26 -0.01 -0.08 -0.04 1.41 1.54 1cf3A1 TRP 350 H 0.23 0.62 0.27 -0.55 7.97 8.54 1cf3A1 TRP 350 HA 0.17 0.30 0.71 -0.75 4.62 5.04 1cf3A1 TRP 350 HB2 0.05 0.02 -0.03 -0.04 3.23 3.23 1cf3A1 TRP 350 HB3 -0.06 -0.07 0.16 -0.04 3.23 3.23 1cf3A1 TRP 350 HD1 0.12 0.16 -0.41 -0.04 7.22 7.05 1cf3A1 TRP 350 HE1 0.10 -0.05 -0.01 -0.04 10.20 10.21 1cf3A1 TRP 350 HE3 -0.10 0.00 -0.09 -0.04 7.59 7.36 1cf3A1 TRP 350 HZ2 0.01 -0.02 -0.02 -0.04 7.44 7.37 1cf3A1 TRP 350 HZ3 -0.10 0.04 -0.09 -0.04 7.13 6.94 1cf3A1 TRP 350 HH2 -0.04 0.05 -0.04 -0.04 7.19 7.11 1cf3A1 PHE 351 H 0.60 0.61 0.09 -0.55 8.34 9.08 1cf3A1 PHE 351 HA -0.08 0.19 0.89 -0.75 4.62 4.87 1cf3A1 PHE 351 HB2 -0.10 -0.04 -0.09 -0.04 3.15 2.88 1cf3A1 PHE 351 HB3 -0.05 0.13 0.03 -0.04 3.06 3.13 1cf3A1 PHE 351 HD2 -0.43 0.03 -0.12 -0.04 7.28 6.72 1cf3A1 PHE 351 HE2 -0.13 -0.05 -0.27 -0.04 7.38 6.89 1cf3A1 PHE 351 HZ 0.06 -0.14 -0.14 -0.04 7.32 7.06 1cf3A1 ALA 352 H -0.21 0.65 0.17 -0.55 8.40 8.47 1cf3A1 ALA 352 HA 0.20 0.12 0.96 -0.75 4.34 4.86 1cf3A1 ALA 352 HB3 -0.86 0.00 -0.07 -0.04 1.41 0.44 1cf3A1 THR 353 H 0.15 0.18 0.18 -0.55 8.28 8.24 1cf3A1 THR 353 HA 0.08 0.24 0.51 -0.75 4.39 4.47 1cf3A1 THR 353 HB 0.06 0.02 0.11 -0.04 4.32 4.47 1cf3A1 THR 353 HG23 -0.27 0.08 -0.03 -0.04 1.22 0.97 1cf3A1 PHE 354 H 0.24 0.36 0.17 -0.55 8.34 8.56 1cf3A1 PHE 354 HA -0.06 0.06 0.42 -0.75 4.62 4.29 1cf3A1 PHE 354 HB2 -0.11 0.09 0.14 -0.04 3.15 3.23 1cf3A1 PHE 354 HB3 -0.01 0.02 0.06 -0.04 3.06 3.09 1cf3A1 PHE 354 HD2 -0.70 0.02 -0.12 -0.04 7.28 6.44 1cf3A1 PHE 354 HE2 -0.73 0.00 -0.11 -0.04 7.38 6.50 1cf3A1 PHE 354 HZ -0.52 0.02 -0.17 -0.04 7.32 6.61 1cf3A1 ASN 355 H 0.25 0.17 -0.09 -0.55 8.53 8.31 1cf3A1 ASN 355 HA 0.19 0.06 0.57 -0.75 4.76 4.83 1cf3A1 ASN 355 HB2 0.16 0.02 0.04 -0.04 2.88 3.07 1cf3A1 ASN 355 HB3 0.15 0.07 -0.01 -0.04 2.79 2.95 1cf3A1 ASN 355 HD21 0.10 0.03 -0.02 -0.04 7.03 7.10 1cf3A1 ASN 355 HD22 0.11 0.05 -0.01 -0.04 7.74 7.85 1cf3A1 GLU 356 H 0.10 0.01 -0.34 -0.55 8.60 7.83 1cf3A1 GLU 356 HA 0.11 0.12 0.41 -0.75 4.29 4.18 1cf3A1 GLU 356 HB2 0.08 -0.09 0.14 -0.04 2.09 2.18 1cf3A1 GLU 356 HB3 0.10 0.06 0.03 -0.04 1.99 2.14 1cf3A1 GLU 356 HG2 0.35 0.12 0.03 -0.04 2.34 2.80 1cf3A1 GLU 356 HG3 0.23 -0.04 0.01 -0.04 2.34 2.50 1cf3A1 THR 357 H -0.10 0.42 -0.30 -0.55 8.28 7.75 1cf3A1 THR 357 HA -0.40 0.06 0.14 -0.75 4.39 3.43 1cf3A1 THR 357 HB -0.32 0.07 0.11 -0.04 4.32 4.13 1cf3A1 THR 357 HG23 -0.61 -0.03 -0.22 -0.04 1.22 0.32 1cf3A1 PHE 358 H -0.12 0.48 -0.05 -0.55 8.34 8.10 1cf3A1 PHE 358 HA -0.17 0.10 0.52 -0.75 4.62 4.31 1cf3A1 PHE 358 HB2 -0.26 0.10 0.02 -0.04 3.15 2.96 1cf3A1 PHE 358 HB3 -0.07 -0.18 -0.35 -0.04 3.06 2.41 1cf3A1 PHE 358 HD2 -0.74 0.09 -0.01 -0.04 7.28 6.58 1cf3A1 PHE 358 HE2 -0.66 -0.01 -0.13 -0.04 7.38 6.55 1cf3A1 PHE 358 HZ -0.13 -0.03 -0.15 -0.04 7.32 6.97 1cf3A1 GLY 359 H 0.04 0.48 -0.34 -0.55 8.43 8.07 1cf3A1 GLY 359 HA2 0.07 0.15 0.33 -0.51 4.01 4.05 1cf3A1 GLY 359 HA3 0.07 0.02 0.36 -0.51 4.01 3.96 1cf3A1 ASP 360 H 0.08 0.20 0.22 -0.55 8.40 8.36 1cf3A1 ASP 360 HA 0.03 0.06 0.36 -0.75 4.63 4.32 1cf3A1 ASP 360 HB2 -0.03 0.03 0.13 -0.04 2.71 2.80 1cf3A1 ASP 360 HB3 -0.07 -0.01 0.17 -0.04 2.70 2.75 1cf3A1 TYR 361 H 0.30 0.59 -0.37 -0.55 8.29 8.27 1cf3A1 TYR 361 HA 0.02 0.08 0.70 -0.75 4.56 4.61 1cf3A1 TYR 361 HB2 0.17 0.30 0.09 -0.04 3.06 3.57 1cf3A1 TYR 361 HB3 0.05 -0.12 0.12 -0.04 2.98 2.99 1cf3A1 TYR 361 HD2 0.03 0.04 0.05 -0.04 7.15 7.23 1cf3A1 TYR 361 HE2 0.02 0.01 0.02 -0.04 6.85 6.86 1cf3A1 SER 362 H 0.13 0.66 -0.36 -0.55 8.46 8.35 1cf3A1 SER 362 HA 0.03 -0.01 0.28 -0.75 4.49 4.04 1cf3A1 SER 362 HB2 0.13 0.02 0.07 -0.04 3.95 4.14 1cf3A1 SER 362 HB3 0.29 -0.06 -0.03 -0.04 3.93 4.10 1cf3A1 GLU 363 H 0.06 0.23 -0.17 -0.55 8.60 8.18 1cf3A1 GLU 363 HA 0.09 0.07 0.34 -0.75 4.29 4.05 1cf3A1 GLU 363 HB2 0.01 0.02 0.06 -0.04 2.09 2.13 1cf3A1 GLU 363 HB3 0.01 0.03 -0.02 -0.04 1.99 1.97 1cf3A1 GLU 363 HG2 0.03 -0.05 0.03 -0.04 2.34 2.31 1cf3A1 GLU 363 HG3 0.00 0.05 0.03 -0.04 2.34 2.38 1cf3A1 LYS 364 H 0.01 0.17 -0.27 -0.55 8.42 7.78 1cf3A1 LYS 364 HA 0.00 0.05 0.43 -0.75 4.32 4.05 1cf3A1 LYS 364 HB2 0.05 0.13 0.14 -0.04 1.87 2.15 1cf3A1 LYS 364 HB3 0.03 -0.01 0.02 -0.04 1.79 1.79 1cf3A1 LYS 364 HG2 0.01 0.01 0.03 -0.04 1.46 1.47 1cf3A1 LYS 364 HG3 -0.01 -0.05 0.01 -0.04 1.46 1.37 1cf3A1 LYS 364 HD2 -0.05 0.02 0.07 -0.04 1.69 1.69 1cf3A1 LYS 364 HD3 0.05 -0.01 0.02 -0.04 1.68 1.71 1cf3A1 LYS 364 HE2 -0.03 -0.00 0.01 -0.04 2.99 2.93 1cf3A1 LYS 364 HE3 -0.05 -0.00 0.01 -0.04 2.99 2.91 1cf3A1 ALA 365 H -0.15 0.58 -0.06 -0.55 8.40 8.23 1cf3A1 ALA 365 HA -0.26 -0.02 0.38 -0.75 4.34 3.68 1cf3A1 ALA 365 HB3 -1.10 0.02 0.06 -0.04 1.41 0.34 1cf3A1 HIS 366 H 0.08 0.72 -0.14 -0.55 8.41 8.52 1cf3A1 HIS 366 HA -0.04 -0.03 0.34 -0.75 4.63 4.15 1cf3A1 HIS 366 HB2 0.00 0.15 0.14 -0.04 3.26 3.51 1cf3A1 HIS 366 HB3 -0.04 -0.03 -0.02 -0.04 3.20 3.07 1cf3A1 HIS 366 HD2 0.14 0.04 -0.14 -0.04 6.97 6.96 1cf3A1 HIS 366 HE1 -0.23 0.02 -0.09 -0.04 7.75 7.41 1cf3A1 GLU 367 H 0.03 0.40 -0.31 -0.55 8.60 8.18 1cf3A1 GLU 367 HA -0.02 0.02 0.43 -0.75 4.29 3.97 1cf3A1 GLU 367 HB2 0.00 0.10 0.17 -0.04 2.09 2.33 1cf3A1 GLU 367 HB3 -0.02 0.12 0.18 -0.04 1.99 2.23 1cf3A1 GLU 367 HG2 -0.04 -0.05 -0.02 -0.04 2.34 2.19 1cf3A1 GLU 367 HG3 -0.02 -0.01 0.04 -0.04 2.34 2.31 1cf3A1 LEU 368 H -0.03 0.47 -0.09 -0.55 8.37 8.17 1cf3A1 LEU 368 HA -0.13 0.00 0.42 -0.75 4.35 3.89 1cf3A1 LEU 368 HB2 0.06 0.17 0.17 -0.04 1.64 1.99 1cf3A1 LEU 368 HB3 0.21 -0.11 -0.01 -0.04 1.64 1.70 1cf3A1 LEU 368 HG 0.01 0.17 0.05 -0.04 1.64 1.83 1cf3A1 LEU 368 HD13 0.13 -0.03 -0.05 -0.04 0.93 0.95 1cf3A1 LEU 368 HD23 0.03 -0.01 -0.02 -0.04 0.89 0.85 1cf3A1 LEU 369 H -0.04 0.53 -0.08 -0.55 8.37 8.23 1cf3A1 LEU 369 HA -0.08 -0.05 0.38 -0.75 4.35 3.84 1cf3A1 LEU 369 HB2 -0.14 0.02 0.09 -0.04 1.64 1.57 1cf3A1 LEU 369 HB3 -0.12 0.15 0.11 -0.04 1.64 1.73 1cf3A1 LEU 369 HG -0.07 0.01 -0.08 -0.04 1.64 1.46 1cf3A1 LEU 369 HD13 -0.02 -0.02 -0.01 -0.04 0.93 0.84 1cf3A1 LEU 369 HD23 -0.47 -0.00 -0.02 -0.04 0.89 0.35 1cf3A1 ASN 370 H -0.08 0.50 -0.25 -0.55 8.53 8.15 1cf3A1 ASN 370 HA -0.07 0.04 0.58 -0.75 4.76 4.55 1cf3A1 ASN 370 HB2 -0.06 0.12 0.13 -0.04 2.88 3.03 1cf3A1 ASN 370 HB3 -0.06 -0.06 0.04 -0.04 2.79 2.67 1cf3A1 ASN 370 HD21 -0.01 -0.07 -0.04 -0.04 7.03 6.87 1cf3A1 ASN 370 HD22 -0.02 -0.03 -0.05 -0.04 7.74 7.61 1cf3A1 THR 371 H -0.21 0.34 -0.12 -0.55 8.28 7.74 1cf3A1 THR 371 HA -0.15 0.21 0.97 -0.75 4.39 4.67 1cf3A1 THR 371 HB -0.14 -0.06 0.06 -0.04 4.32 4.13 1cf3A1 THR 371 HG23 -0.08 0.00 -0.05 -0.04 1.22 1.04 1cf3A1 LYS 372 H -0.61 0.55 0.12 -0.55 8.42 7.93 1cf3A1 LYS 372 HA -0.47 0.20 0.92 -0.75 4.32 4.22 1cf3A1 LYS 372 HB2 -2.50 0.09 0.04 -0.04 1.87 -0.54 1cf3A1 LYS 372 HB3 -1.57 -0.11 0.18 -0.04 1.79 0.25 1cf3A1 LYS 372 HG2 -0.42 0.00 -0.02 -0.04 1.46 0.99 1cf3A1 LYS 372 HG3 -0.42 -0.03 0.05 -0.04 1.46 1.02 1cf3A1 LYS 372 HD2 -0.08 -0.03 0.02 -0.04 1.69 1.56 1cf3A1 LYS 372 HD3 -0.29 -0.02 0.04 -0.04 1.68 1.36 1cf3A1 LYS 372 HE2 -0.14 0.02 -0.06 -0.04 2.99 2.77 1cf3A1 LYS 372 HE3 -0.04 -0.00 -0.02 -0.04 2.99 2.89 1cf3A1 LEU 373 H -0.36 0.29 -0.20 -0.55 8.37 7.56 1cf3A1 LEU 373 HA -0.00 0.05 0.27 -0.75 4.35 3.91 1cf3A1 LEU 373 HB2 -0.01 0.01 0.02 -0.04 1.64 1.62 1cf3A1 LEU 373 HB3 0.20 0.01 -0.01 -0.04 1.64 1.80 1cf3A1 LEU 373 HG -0.11 0.16 0.04 -0.04 1.64 1.69 1cf3A1 LEU 373 HD13 0.09 -0.01 -0.09 -0.04 0.93 0.89 1cf3A1 LEU 373 HD23 0.08 -0.03 0.02 -0.04 0.89 0.91 1cf3A1 GLU 374 H -0.09 0.17 -0.23 -0.55 8.60 7.91 1cf3A1 GLU 374 HA 0.05 0.09 0.55 -0.75 4.29 4.22 1cf3A1 GLU 374 HB2 -0.04 0.04 0.08 -0.04 2.09 2.12 1cf3A1 GLU 374 HB3 -0.04 0.03 0.03 -0.04 1.99 1.96 1cf3A1 GLU 374 HG2 -0.01 0.00 0.03 -0.04 2.34 2.32 1cf3A1 GLU 374 HG3 -0.02 0.05 -0.00 -0.04 2.34 2.32 1cf3A1 GLN 375 H -0.11 0.12 -0.12 -0.55 8.47 7.82 1cf3A1 GLN 375 HA 0.03 0.06 0.48 -0.75 4.36 4.18 1cf3A1 GLN 375 HB2 -0.08 0.02 0.15 -0.04 2.15 2.20 1cf3A1 GLN 375 HB3 -0.21 0.07 0.21 -0.04 2.02 2.05 1cf3A1 GLN 375 HG2 0.12 -0.01 -0.16 -0.04 2.40 2.31 1cf3A1 GLN 375 HG3 0.04 0.00 0.07 -0.04 2.39 2.46 1cf3A1 GLN 375 HE21 0.07 0.01 0.00 -0.04 6.97 7.00 1cf3A1 GLN 375 HE22 0.14 -0.00 -0.02 -0.04 7.69 7.76 1cf3A1 TRP 376 H 0.00 0.71 -0.07 -0.55 7.97 8.07 1cf3A1 TRP 376 HA 0.08 -0.01 0.33 -0.75 4.62 4.27 1cf3A1 TRP 376 HB2 0.10 0.13 0.06 -0.04 3.23 3.48 1cf3A1 TRP 376 HB3 0.10 -0.02 -0.01 -0.04 3.23 3.26 1cf3A1 TRP 376 HD1 0.01 0.03 -0.03 -0.04 7.22 7.18 1cf3A1 TRP 376 HE1 -0.04 0.00 0.01 -0.04 10.20 10.13 1cf3A1 TRP 376 HE3 -0.41 0.09 -0.08 -0.04 7.59 7.15 1cf3A1 TRP 376 HZ2 -0.12 -0.01 -0.06 -0.04 7.44 7.22 1cf3A1 TRP 376 HZ3 -0.74 0.07 -0.07 -0.04 7.13 6.35 1cf3A1 TRP 376 HH2 -0.28 0.00 -0.20 -0.04 7.19 6.66 1cf3A1 ALA 377 H 0.33 0.41 -0.24 -0.55 8.40 8.36 1cf3A1 ALA 377 HA 0.18 0.06 0.48 -0.75 4.34 4.30 1cf3A1 ALA 377 HB3 -0.02 0.01 0.10 -0.04 1.41 1.46 1cf3A1 GLU 378 H 0.11 0.60 -0.05 -0.55 8.60 8.71 1cf3A1 GLU 378 HA 0.05 -0.03 0.43 -0.75 4.29 3.99 1cf3A1 GLU 378 HB2 0.07 0.10 0.13 -0.04 2.09 2.34 1cf3A1 GLU 378 HB3 0.05 -0.04 0.02 -0.04 1.99 1.97 1cf3A1 GLU 378 HG2 0.03 -0.10 0.05 -0.04 2.34 2.28 1cf3A1 GLU 378 HG3 0.04 0.37 0.12 -0.04 2.34 2.84 1cf3A1 GLU 379 H 0.16 0.54 -0.11 -0.55 8.60 8.64 1cf3A1 GLU 379 HA 0.09 0.04 0.54 -0.75 4.29 4.21 1cf3A1 GLU 379 HB2 0.19 0.06 0.14 -0.04 2.09 2.44 1cf3A1 GLU 379 HB3 0.11 0.00 0.05 -0.04 1.99 2.12 1cf3A1 GLU 379 HG2 0.10 -0.02 0.04 -0.04 2.34 2.41 1cf3A1 GLU 379 HG3 0.13 0.16 0.09 -0.04 2.34 2.68 1cf3A1 ALA 380 H 0.16 0.53 -0.11 -0.55 8.40 8.44 1cf3A1 ALA 380 HA 0.09 0.04 0.41 -0.75 4.34 4.13 1cf3A1 ALA 380 HB3 0.14 0.01 0.09 -0.04 1.41 1.61 1cf3A1 VAL 381 H 0.09 0.48 -0.21 -0.55 8.24 8.05 1cf3A1 VAL 381 HA 0.10 0.08 0.53 -0.75 4.13 4.09 1cf3A1 VAL 381 HB 0.05 0.09 0.11 -0.04 2.12 2.33 1cf3A1 VAL 381 HG13 0.02 0.01 -0.19 -0.04 0.97 0.78 1cf3A1 VAL 381 HG23 0.10 -0.04 -0.32 -0.04 0.95 0.64 1cf3A1 ALA 382 H 0.06 0.51 -0.11 -0.55 8.40 8.31 1cf3A1 ALA 382 HA 0.03 0.01 0.44 -0.75 4.34 4.07 1cf3A1 ALA 382 HB3 0.04 0.01 0.14 -0.04 1.41 1.56 1cf3A1 ARG 383 H 0.07 0.29 -0.39 -0.55 8.46 7.87 1cf3A1 ARG 383 HA 0.06 0.09 0.68 -0.75 4.34 4.42 1cf3A1 ARG 383 HB2 0.08 0.07 0.15 -0.04 1.90 2.16 1cf3A1 ARG 383 HB3 0.08 -0.06 0.14 -0.04 1.80 1.92 1cf3A1 ARG 383 HG2 0.06 -0.02 0.01 -0.04 1.67 1.68 1cf3A1 ARG 383 HG3 0.06 0.13 0.02 -0.04 1.67 1.84 1cf3A1 ARG 383 HD2 0.05 -0.05 0.03 -0.04 3.22 3.20 1cf3A1 ARG 383 HD3 0.05 -0.03 -0.00 -0.04 3.22 3.20 1cf3A1 GLY 384 H 0.06 0.47 -0.35 -0.55 8.43 8.05 1cf3A1 GLY 384 HA2 0.01 0.04 0.27 -0.51 4.01 3.83 1cf3A1 GLY 384 HA3 -0.02 0.05 0.44 -0.51 4.01 3.98 1cf3A1 GLY 385 H 0.12 0.43 -0.06 -0.55 8.43 8.37 1cf3A1 GLY 385 HA2 0.16 0.06 0.19 -0.51 4.01 3.91 1cf3A1 GLY 385 HA3 0.11 0.14 0.13 -0.51 4.01 3.88 1cf3A1 PHE 386 H 0.16 0.32 -0.11 -0.55 8.34 8.15 1cf3A1 PHE 386 HA 0.09 0.12 0.45 -0.75 4.62 4.53 1cf3A1 PHE 386 HB2 -0.01 0.11 -0.41 -0.04 3.15 2.80 1cf3A1 PHE 386 HB3 -0.03 -0.07 -0.15 -0.04 3.06 2.77 1cf3A1 PHE 386 HD2 -0.06 0.04 0.05 -0.04 7.28 7.28 1cf3A1 PHE 386 HE2 -0.07 0.03 -0.00 -0.04 7.38 7.30 1cf3A1 PHE 386 HZ 0.03 0.30 0.10 -0.04 7.32 7.71 1cf3A1 HIS 387 H -0.54 0.13 0.13 -0.55 8.41 7.58 1cf3A1 HIS 387 HA -0.11 0.29 0.98 -0.75 4.63 5.03 1cf3A1 HIS 387 HB2 -0.17 -0.01 0.08 -0.04 3.26 3.13 1cf3A1 HIS 387 HB3 -0.22 0.06 -0.06 -0.04 3.20 2.93 1cf3A1 HIS 387 HD2 -0.17 -0.02 -0.08 -0.04 6.97 6.66 1cf3A1 HIS 387 HE1 -0.62 0.11 0.10 -0.04 7.75 7.30 1cf3A1 ASN 388 H -0.52 0.13 0.02 -0.55 8.53 7.61 1cf3A1 ASN 388 HA -0.20 0.19 0.90 -0.75 4.76 4.90 1cf3A1 ASN 388 HB2 -0.65 0.13 -0.08 -0.04 2.88 2.24 1cf3A1 ASN 388 HB3 -0.31 0.04 0.12 -0.04 2.79 2.59 1cf3A1 ASN 388 HD21 -0.07 0.01 0.04 -0.04 7.03 6.97 1cf3A1 ASN 388 HD22 -0.13 0.15 0.02 -0.04 7.74 7.74 1cf3A1 THR 389 H -0.04 0.26 0.08 -0.55 8.28 8.03 1cf3A1 THR 389 HA 0.01 0.13 0.28 -0.75 4.39 4.05 1cf3A1 THR 389 HB -0.00 0.00 -0.04 -0.04 4.32 4.23 1cf3A1 THR 389 HG23 0.01 0.05 -0.04 -0.04 1.22 1.20 1cf3A1 THR 390 H -0.04 0.11 -0.11 -0.55 8.28 7.70 1cf3A1 THR 390 HA -0.04 0.08 0.42 -0.75 4.39 4.10 1cf3A1 THR 390 HB -0.04 0.04 0.03 -0.04 4.32 4.31 1cf3A1 THR 390 HG23 -0.04 0.02 -0.05 -0.04 1.22 1.11 1cf3A1 ALA 391 H -0.01 0.10 -0.17 -0.55 8.40 7.77 1cf3A1 ALA 391 HA -0.03 0.06 0.50 -0.75 4.34 4.11 1cf3A1 ALA 391 HB3 0.13 0.08 0.09 -0.04 1.41 1.67 1cf3A1 LEU 392 H -0.04 0.39 -0.20 -0.55 8.37 7.98 1cf3A1 LEU 392 HA -0.58 0.12 0.54 -0.75 4.35 3.68 1cf3A1 LEU 392 HB2 -0.25 0.01 0.06 -0.04 1.64 1.42 1cf3A1 LEU 392 HB3 -0.22 0.04 0.10 -0.04 1.64 1.52 1cf3A1 LEU 392 HG -0.98 -0.06 -0.15 -0.04 1.64 0.41 1cf3A1 LEU 392 HD13 -0.71 0.01 0.03 -0.04 0.93 0.23 1cf3A1 LEU 392 HD23 -0.10 0.02 -0.04 -0.04 0.89 0.73 1cf3A1 LEU 393 H -0.16 0.56 -0.09 -0.55 8.37 8.14 1cf3A1 LEU 393 HA -0.12 -0.01 0.48 -0.75 4.35 3.95 1cf3A1 LEU 393 HB2 -0.04 -0.02 0.13 -0.04 1.64 1.67 1cf3A1 LEU 393 HB3 -0.06 0.19 0.23 -0.04 1.64 1.96 1cf3A1 LEU 393 HG -0.02 0.02 -0.19 -0.04 1.64 1.41 1cf3A1 LEU 393 HD13 0.05 -0.03 -0.08 -0.04 0.93 0.83 1cf3A1 LEU 393 HD23 -0.02 -0.01 -0.01 -0.04 0.89 0.81 1cf3A1 ILE 394 H -0.12 0.41 -0.26 -0.55 8.25 7.73 1cf3A1 ILE 394 HA -0.10 -0.04 0.41 -0.75 4.18 3.71 1cf3A1 ILE 394 HB -0.12 0.25 0.18 -0.04 1.89 2.15 1cf3A1 ILE 394 HG12 -0.09 -0.05 0.04 -0.04 1.49 1.35 1cf3A1 ILE 394 HG13 -0.08 0.07 0.08 -0.04 1.21 1.24 1cf3A1 ILE 394 HG23 -0.23 -0.01 -0.09 -0.04 0.93 0.56 1cf3A1 ILE 394 HD13 -0.07 -0.01 -0.00 -0.04 0.88 0.75 1cf3A1 GLN 395 H -0.22 0.40 -0.13 -0.55 8.47 7.97 1cf3A1 GLN 395 HA -0.10 0.01 0.50 -0.75 4.36 4.01 1cf3A1 GLN 395 HB2 -0.44 0.12 0.16 -0.04 2.15 1.95 1cf3A1 GLN 395 HB3 -0.39 -0.03 0.05 -0.04 2.02 1.62 1cf3A1 GLN 395 HG2 0.09 -0.03 0.06 -0.04 2.40 2.49 1cf3A1 GLN 395 HG3 -0.23 0.14 0.16 -0.04 2.39 2.42 1cf3A1 GLN 395 HE21 -0.89 0.01 0.03 -0.04 6.97 6.08 1cf3A1 GLN 395 HE22 -0.64 0.01 -0.03 -0.04 7.69 7.00 1cf3A1 TYR 396 H -0.16 0.50 -0.19 -0.55 8.29 7.90 1cf3A1 TYR 396 HA -0.19 0.02 0.44 -0.75 4.56 4.07 1cf3A1 TYR 396 HB2 0.06 0.12 0.20 -0.04 3.06 3.39 1cf3A1 TYR 396 HB3 0.30 -0.11 0.05 -0.04 2.98 3.18 1cf3A1 TYR 396 HD2 -0.07 0.02 -0.04 -0.04 7.15 7.03 1cf3A1 TYR 396 HE2 0.07 0.01 -0.19 -0.04 6.85 6.70 1cf3A1 GLU 397 H 0.03 0.73 0.00 -0.55 8.60 8.81 1cf3A1 GLU 397 HA 0.06 -0.02 0.54 -0.75 4.29 4.11 1cf3A1 GLU 397 HB2 -0.04 0.12 0.16 -0.04 2.09 2.30 1cf3A1 GLU 397 HB3 -0.01 -0.05 0.05 -0.04 1.99 1.93 1cf3A1 GLU 397 HG2 0.02 -0.05 0.05 -0.04 2.34 2.32 1cf3A1 GLU 397 HG3 0.04 0.12 0.06 -0.04 2.34 2.52 1cf3A1 ASN 398 H -0.12 0.59 -0.24 -0.55 8.53 8.21 1cf3A1 ASN 398 HA -0.12 -0.03 0.45 -0.75 4.76 4.31 1cf3A1 ASN 398 HB2 -0.21 0.07 0.13 -0.04 2.88 2.83 1cf3A1 ASN 398 HB3 -0.28 0.23 0.18 -0.04 2.79 2.89 1cf3A1 ASN 398 HD21 0.38 -0.05 -0.05 -0.04 7.03 7.27 1cf3A1 ASN 398 HD22 -0.08 0.10 -0.04 -0.04 7.74 7.68 1cf3A1 TYR 399 H -0.16 0.55 -0.11 -0.55 8.29 8.01 1cf3A1 TYR 399 HA -0.70 -0.03 0.42 -0.75 4.56 3.50 1cf3A1 TYR 399 HB2 -0.22 0.14 0.18 -0.04 3.06 3.12 1cf3A1 TYR 399 HB3 -0.07 -0.08 -0.06 -0.04 2.98 2.73 1cf3A1 TYR 399 HD2 -1.35 -0.07 -0.14 -0.04 7.15 5.55 1cf3A1 TYR 399 HE2 -0.41 0.13 -0.10 -0.04 6.85 6.43 1cf3A1 ARG 400 H 0.13 0.66 -0.13 -0.55 8.46 8.57 1cf3A1 ARG 400 HA 0.09 -0.04 0.46 -0.75 4.34 4.09 1cf3A1 ARG 400 HB2 0.12 0.04 0.12 -0.04 1.90 2.14 1cf3A1 ARG 400 HB3 0.06 0.11 0.21 -0.04 1.80 2.14 1cf3A1 ARG 400 HG2 0.02 -0.05 -0.14 -0.04 1.67 1.46 1cf3A1 ARG 400 HG3 -0.01 -0.08 0.01 -0.04 1.67 1.56 1cf3A1 ARG 400 HD2 -0.00 0.15 -0.03 -0.04 3.22 3.29 1cf3A1 ARG 400 HD3 0.01 -0.00 0.02 -0.04 3.22 3.21 1cf3A1 ASP 401 H 0.04 0.71 -0.08 -0.55 8.40 8.52 1cf3A1 ASP 401 HA 0.09 -0.04 0.37 -0.75 4.63 4.30 1cf3A1 ASP 401 HB2 0.07 0.09 0.16 -0.04 2.71 2.99 1cf3A1 ASP 401 HB3 0.14 0.17 0.20 -0.04 2.70 3.17 1cf3A1 TRP 402 H 0.23 0.64 -0.12 -0.55 7.97 8.18 1cf3A1 TRP 402 HA 0.11 -0.06 0.31 -0.75 4.62 4.22 1cf3A1 TRP 402 HB2 0.03 0.23 0.13 -0.04 3.23 3.57 1cf3A1 TRP 402 HB3 -0.05 -0.12 -0.05 -0.04 3.23 2.97 1cf3A1 TRP 402 HD1 0.03 -0.09 -0.05 -0.04 7.22 7.07 1cf3A1 TRP 402 HE1 0.10 -0.00 -0.01 -0.04 10.20 10.25 1cf3A1 TRP 402 HE3 -0.22 0.01 -0.07 -0.04 7.59 7.27 1cf3A1 TRP 402 HZ2 0.32 0.08 0.04 -0.04 7.44 7.84 1cf3A1 TRP 402 HZ3 -0.21 0.01 -0.13 -0.04 7.13 6.77 1cf3A1 TRP 402 HH2 0.31 0.18 -0.02 -0.04 7.19 7.63 1cf3A1 ILE 403 H 0.19 0.54 -0.25 -0.55 8.25 8.18 1cf3A1 ILE 403 HA 0.07 -0.02 0.62 -0.75 4.18 4.10 1cf3A1 ILE 403 HB -0.08 0.14 0.19 -0.04 1.89 2.09 1cf3A1 ILE 403 HG12 0.09 -0.08 -0.01 -0.04 1.49 1.44 1cf3A1 ILE 403 HG13 0.18 0.03 -0.03 -0.04 1.21 1.35 1cf3A1 ILE 403 HG23 -0.57 -0.04 -0.13 -0.04 0.93 0.15 1cf3A1 ILE 403 HD13 0.05 -0.00 -0.07 -0.04 0.88 0.82 1cf3A1 VAL 404 H 0.03 0.72 0.15 -0.55 8.24 8.59 1cf3A1 VAL 404 HA 0.01 0.06 0.58 -0.75 4.13 4.03 1cf3A1 VAL 404 HB -0.03 -0.02 0.08 -0.04 2.12 2.11 1cf3A1 VAL 404 HG13 0.01 0.01 0.03 -0.04 0.97 0.98 1cf3A1 VAL 404 HG23 0.01 0.05 -0.09 -0.04 0.95 0.87 1cf3A1 ASN 405 H 0.04 0.62 0.05 -0.55 8.53 8.70 1cf3A1 ASN 405 HA -0.09 0.20 0.88 -0.75 4.76 5.00 1cf3A1 ASN 405 HB2 -0.04 0.10 0.11 -0.04 2.88 3.02 1cf3A1 ASN 405 HB3 -0.27 -0.04 0.00 -0.04 2.79 2.45 1cf3A1 ASN 405 HD21 0.00 -0.01 -0.03 -0.04 7.03 6.95 1cf3A1 ASN 405 HD22 0.04 -0.02 0.03 -0.04 7.74 7.74 1cf3A1 HIS 406 H 0.09 0.28 -0.01 -0.55 8.41 8.22 1cf3A1 HIS 406 HA -0.03 0.21 0.92 -0.75 4.63 4.99 1cf3A1 HIS 406 HB2 -0.12 0.07 0.14 -0.04 3.26 3.31 1cf3A1 HIS 406 HB3 -0.36 -0.10 0.10 -0.04 3.20 2.79 1cf3A1 HIS 406 HD2 0.15 0.05 -0.28 -0.04 6.97 6.85 1cf3A1 HIS 406 HE1 0.04 -0.01 -0.04 -0.04 7.75 7.70 1cf3A1 ASN 407 H 0.02 0.13 -0.28 -0.55 8.53 7.86 1cf3A1 ASN 407 HA 0.02 0.14 0.42 -0.75 4.76 4.58 1cf3A1 ASN 407 HB2 0.00 0.03 -0.19 -0.04 2.88 2.69 1cf3A1 ASN 407 HB3 -0.01 0.07 0.05 -0.04 2.79 2.85 1cf3A1 ASN 407 HD21 0.02 -0.09 0.04 -0.04 7.03 6.95 1cf3A1 ASN 407 HD22 0.00 0.05 0.03 -0.04 7.74 7.78 1cf3A1 VAL 408 H -0.04 0.32 -0.10 -0.55 8.24 7.87 1cf3A1 VAL 408 HA -0.16 0.12 0.49 -0.75 4.13 3.83 1cf3A1 VAL 408 HB -0.21 -0.06 0.08 -0.04 2.12 1.89 1cf3A1 VAL 408 HG13 -0.77 0.01 -0.03 -0.04 0.97 0.13 1cf3A1 VAL 408 HG23 0.07 0.03 -0.31 -0.04 0.95 0.71 1cf3A1 ALA 409 H -0.01 0.12 0.13 -0.55 8.40 8.11 1cf3A1 ALA 409 HA 0.07 -0.05 0.08 -0.75 4.34 3.70 1cf3A1 ALA 409 HB3 0.17 0.07 0.08 -0.04 1.41 1.68 1cf3A1 TYR 410 H 0.16 0.57 0.42 -0.55 8.29 8.89 1cf3A1 TYR 410 HA 0.07 0.13 0.77 -0.75 4.56 4.77 1cf3A1 TYR 410 HB2 0.21 -0.01 0.03 -0.04 3.06 3.25 1cf3A1 TYR 410 HB3 0.04 0.04 -0.11 -0.04 2.98 2.91 1cf3A1 TYR 410 HD2 0.04 0.06 -0.07 -0.04 7.15 7.13 1cf3A1 TYR 410 HE2 0.07 0.06 -0.03 -0.04 6.85 6.91 1cf3A1 SER 411 H -0.09 0.50 0.28 -0.55 8.46 8.61 1cf3A1 SER 411 HA -0.36 0.09 0.84 -0.75 4.49 4.30 1cf3A1 SER 411 HB2 -0.38 0.08 0.01 -0.04 3.95 3.62 1cf3A1 SER 411 HB3 -0.37 -0.04 -0.15 -0.04 3.93 3.33 1cf3A1 GLU 412 H -0.70 0.69 0.32 -0.55 8.60 8.36 1cf3A1 GLU 412 HA -0.71 0.33 1.07 -0.75 4.29 4.23 1cf3A1 GLU 412 HB2 -1.01 -0.02 -0.09 -0.04 2.09 0.92 1cf3A1 GLU 412 HB3 -1.92 -0.03 0.09 -0.04 1.99 0.09 1cf3A1 GLU 412 HG2 -0.82 0.01 -0.31 -0.04 2.34 1.17 1cf3A1 GLU 412 HG3 -1.34 0.04 -0.12 -0.04 2.34 0.88 1cf3A1 LEU 413 H -0.35 0.62 0.21 -0.55 8.37 8.30 1cf3A1 LEU 413 HA -0.18 0.19 0.84 -0.75 4.35 4.45 1cf3A1 LEU 413 HB2 -0.08 -0.06 0.21 -0.04 1.64 1.68 1cf3A1 LEU 413 HB3 -0.18 0.04 0.03 -0.04 1.64 1.50 1cf3A1 LEU 413 HG -0.38 0.06 -0.04 -0.04 1.64 1.24 1cf3A1 LEU 413 HD13 -0.61 -0.03 -0.31 -0.04 0.93 -0.06 1cf3A1 LEU 413 HD23 -0.54 0.01 -0.13 -0.04 0.89 0.20 1cf3A1 PHE 414 H 0.17 0.76 0.26 -0.55 8.34 8.98 1cf3A1 PHE 414 HA 0.16 0.11 1.02 -0.75 4.62 5.16 1cf3A1 PHE 414 HB2 -0.00 -0.07 0.04 -0.04 3.15 3.08 1cf3A1 PHE 414 HB3 0.31 0.01 0.23 -0.04 3.06 3.56 1cf3A1 PHE 414 HD2 0.25 -0.04 -0.24 -0.04 7.28 7.22 1cf3A1 PHE 414 HE2 0.01 -0.04 -0.11 -0.04 7.38 7.20 1cf3A1 PHE 414 HZ 0.26 -0.01 -0.06 -0.04 7.32 7.46 1cf3A1 LEU 415 H -0.19 0.86 0.45 -0.55 8.37 8.95 1cf3A1 LEU 415 HA -0.20 0.30 0.73 -0.75 4.35 4.42 1cf3A1 LEU 415 HB2 -0.31 -0.02 -0.15 -0.04 1.64 1.12 1cf3A1 LEU 415 HB3 -0.13 -0.10 0.05 -0.04 1.64 1.42 1cf3A1 LEU 415 HG -0.20 0.05 -0.52 -0.04 1.64 0.93 1cf3A1 LEU 415 HD13 -0.71 0.02 -0.16 -0.04 0.93 0.04 1cf3A1 LEU 415 HD23 -0.12 -0.03 -0.24 -0.04 0.89 0.46 1cf3A1 ASP 416 H -0.04 0.76 0.46 -0.55 8.40 9.03 1cf3A1 ASP 416 HA 0.07 0.11 1.03 -0.75 4.63 5.09 1cf3A1 ASP 416 HB2 0.15 0.06 0.17 -0.04 2.71 3.04 1cf3A1 ASP 416 HB3 0.11 0.06 -0.02 -0.04 2.70 2.81 1cf3A1 THR 417 H 0.01 0.17 0.14 -0.55 8.28 8.06 1cf3A1 THR 417 HA -0.03 0.48 1.07 -0.75 4.39 5.16 1cf3A1 THR 417 HB -0.05 0.03 0.19 -0.04 4.32 4.46 1cf3A1 THR 417 HG23 -0.08 -0.02 -0.18 -0.04 1.22 0.90 1cf3A1 ALA 418 H -0.02 0.36 0.34 -0.55 8.40 8.54 1cf3A1 ALA 418 HA -0.02 0.03 0.32 -0.75 4.34 3.92 1cf3A1 ALA 418 HB3 0.01 0.01 0.07 -0.04 1.41 1.46 1cf3A1 GLY 419 H -0.01 0.14 -0.11 -0.55 8.43 7.90 1cf3A1 GLY 419 HA2 -0.00 -0.06 0.29 -0.51 4.01 3.73 1cf3A1 GLY 419 HA3 0.00 0.21 0.86 -0.51 4.01 4.57 1cf3A1 VAL 420 H 0.00 0.35 -0.25 -0.55 8.24 7.80 1cf3A1 VAL 420 HA 0.02 0.12 0.73 -0.75 4.13 4.24 1cf3A1 VAL 420 HB 0.04 0.01 0.07 -0.04 2.12 2.19 1cf3A1 VAL 420 HG13 0.03 -0.02 -0.17 -0.04 0.97 0.76 1cf3A1 VAL 420 HG23 0.04 0.01 -0.24 -0.04 0.95 0.71 1cf3A1 ALA 421 H 0.04 0.59 0.13 -0.55 8.40 8.61 1cf3A1 ALA 421 HA -0.06 0.21 0.92 -0.75 4.34 4.64 1cf3A1 ALA 421 HB3 0.05 -0.02 0.05 -0.04 1.41 1.45 1cf3A1 SER 422 H -0.06 0.70 0.19 -0.55 8.46 8.75 1cf3A1 SER 422 HA 0.09 0.23 1.29 -0.75 4.49 5.35 1cf3A1 SER 422 HB2 0.07 -0.03 -0.04 -0.04 3.95 3.91 1cf3A1 SER 422 HB3 0.09 -0.04 0.12 -0.04 3.93 4.07 1cf3A1 PHE 423 H 0.28 0.89 0.41 -0.55 8.34 9.37 1cf3A1 PHE 423 HA 0.18 0.36 0.99 -0.75 4.62 5.41 1cf3A1 PHE 423 HB2 0.11 0.02 0.16 -0.04 3.15 3.40 1cf3A1 PHE 423 HB3 0.09 -0.04 -0.17 -0.04 3.06 2.89 1cf3A1 PHE 423 HD2 0.10 0.01 -0.29 -0.04 7.28 7.06 1cf3A1 PHE 423 HE2 0.12 0.01 -0.19 -0.04 7.38 7.28 1cf3A1 PHE 423 HZ 0.11 -0.01 -0.17 -0.04 7.32 7.21 1cf3A1 ASP 424 H 0.43 0.55 0.34 -0.55 8.40 9.17 1cf3A1 ASP 424 HA 0.29 0.27 0.99 -0.75 4.63 5.43 1cf3A1 ASP 424 HB2 0.42 -0.02 0.17 -0.04 2.71 3.24 1cf3A1 ASP 424 HB3 0.45 -0.02 -0.01 -0.04 2.70 3.07 1cf3A1 VAL 425 H 0.25 0.74 0.39 -0.55 8.24 9.06 1cf3A1 VAL 425 HA -0.10 0.28 1.13 -0.75 4.13 4.69 1cf3A1 VAL 425 HB 0.04 -0.04 0.07 -0.04 2.12 2.15 1cf3A1 VAL 425 HG13 -0.21 -0.02 -0.42 -0.04 0.97 0.29 1cf3A1 VAL 425 HG23 -0.05 0.01 -0.18 -0.04 0.95 0.69 1cf3A1 TRP 426 H -0.44 0.56 0.36 -0.55 7.97 7.90 1cf3A1 TRP 426 HA -0.09 0.23 0.98 -0.75 4.62 4.98 1cf3A1 TRP 426 HB2 -0.11 0.01 -0.03 -0.04 3.23 3.07 1cf3A1 TRP 426 HB3 -0.09 0.08 -0.18 -0.04 3.23 3.00 1cf3A1 TRP 426 HD1 -0.10 0.07 -0.31 -0.04 7.22 6.84 1cf3A1 TRP 426 HE1 -0.16 0.01 -0.12 -0.04 10.20 9.90 1cf3A1 TRP 426 HE3 -0.04 -0.05 -0.51 -0.04 7.59 6.96 1cf3A1 TRP 426 HZ2 -0.28 -0.05 -0.12 -0.04 7.44 6.95 1cf3A1 TRP 426 HZ3 -0.01 0.04 -0.12 -0.04 7.13 6.99 1cf3A1 TRP 426 HH2 -0.09 -0.02 -0.08 -0.04 7.19 6.96 1cf3A1 ASP 427 H 0.03 0.21 0.20 -0.55 8.40 8.30 1cf3A1 ASP 427 HA -0.38 0.12 0.70 -0.75 4.63 4.32 1cf3A1 ASP 427 HB2 -0.21 0.03 -0.06 -0.04 2.71 2.43 1cf3A1 ASP 427 HB3 -0.07 -0.03 0.20 -0.04 2.70 2.76 1cf3A1 LEU 428 H -0.26 0.62 0.23 -0.55 8.37 8.42 1cf3A1 LEU 428 HA 0.19 0.06 0.42 -0.75 4.35 4.27 1cf3A1 LEU 428 HB2 -0.03 0.08 -0.22 -0.04 1.64 1.43 1cf3A1 LEU 428 HB3 0.08 0.01 -0.16 -0.04 1.64 1.53 1cf3A1 LEU 428 HG -0.26 -0.02 -0.28 -0.04 1.64 1.04 1cf3A1 LEU 428 HD13 0.03 -0.04 -0.45 -0.04 0.93 0.43 1cf3A1 LEU 428 HD23 0.15 -0.00 -0.11 -0.04 0.89 0.88 1cf3A1 LEU 429 H -0.16 0.11 -0.25 -0.55 8.37 7.52 1cf3A1 LEU 429 HA 0.01 0.24 0.82 -0.75 4.35 4.66 1cf3A1 LEU 429 HB2 0.19 -0.06 0.12 -0.04 1.64 1.85 1cf3A1 LEU 429 HB3 -0.34 0.03 -0.00 -0.04 1.64 1.29 1cf3A1 LEU 429 HG 0.06 -0.04 -0.22 -0.04 1.64 1.39 1cf3A1 LEU 429 HD13 0.22 -0.00 -0.09 -0.04 0.93 1.01 1cf3A1 LEU 429 HD23 0.05 0.06 -0.33 -0.04 0.89 0.63 1cf3A1 PRO 430 HA 0.14 -0.08 0.50 -0.51 4.44 4.50 1cf3A1 PRO 430 HB2 0.02 0.08 -0.07 -0.04 2.28 2.26 1cf3A1 PRO 430 HB3 0.02 -0.05 0.08 -0.04 2.02 2.02 1cf3A1 PRO 430 HG2 0.06 0.09 -0.04 -0.04 2.03 2.09 1cf3A1 PRO 430 HG3 0.04 0.13 -0.20 -0.04 2.03 1.97 1cf3A1 PRO 430 HD2 0.10 0.14 0.06 -0.04 3.68 3.95 1cf3A1 PRO 430 HD3 0.06 0.16 -0.42 -0.04 3.65 3.41 1cf3A1 PHE 431 H 0.24 -0.07 0.19 -0.55 8.34 8.14 1cf3A1 PHE 431 HA -0.01 0.26 0.64 -0.75 4.62 4.76 1cf3A1 PHE 431 HB2 -0.43 -0.20 0.08 -0.04 3.15 2.56 1cf3A1 PHE 431 HB3 -0.62 0.02 0.03 -0.04 3.06 2.45 1cf3A1 PHE 431 HD2 -0.64 -0.02 -0.03 -0.04 7.28 6.55 1cf3A1 PHE 431 HE2 0.13 0.03 -0.02 -0.04 7.38 7.48 1cf3A1 PHE 431 HZ 0.17 -0.00 -0.11 -0.04 7.32 7.33 1cf3A1 THR 432 H 0.01 -0.15 0.01 -0.55 8.28 7.61 1cf3A1 THR 432 HA 0.02 0.04 0.46 -0.75 4.39 4.15 1cf3A1 THR 432 HB -0.06 -0.30 0.13 -0.04 4.32 4.05 1cf3A1 THR 432 HG23 -0.10 0.00 -0.22 -0.04 1.22 0.86 1cf3A1 ARG 433 H 0.02 0.15 0.17 -0.55 8.46 8.25 1cf3A1 ARG 433 HA -0.05 0.33 0.78 -0.75 4.34 4.65 1cf3A1 ARG 433 HB2 0.05 -0.16 -0.02 -0.04 1.90 1.72 1cf3A1 ARG 433 HB3 0.02 0.13 0.02 -0.04 1.80 1.93 1cf3A1 ARG 433 HG2 0.03 0.05 -0.49 -0.04 1.67 1.22 1cf3A1 ARG 433 HG3 -0.14 -0.11 -0.12 -0.04 1.67 1.27 1cf3A1 ARG 433 HD2 -0.14 -0.03 -0.05 -0.04 3.22 2.96 1cf3A1 ARG 433 HD3 -0.07 0.15 -0.09 -0.04 3.22 3.17 1cf3A1 GLY 434 H -0.12 0.60 0.18 -0.55 8.43 8.54 1cf3A1 GLY 434 HA2 -0.10 0.16 0.91 -0.51 4.01 4.47 1cf3A1 GLY 434 HA3 -0.28 0.02 0.39 -0.51 4.01 3.63 1cf3A1 TYR 435 H -0.60 0.41 0.29 -0.55 8.29 7.84 1cf3A1 TYR 435 HA -0.25 0.29 1.00 -0.75 4.56 4.84 1cf3A1 TYR 435 HB2 -0.50 0.07 0.03 -0.04 3.06 2.62 1cf3A1 TYR 435 HB3 -0.13 0.16 -0.16 -0.04 2.98 2.82 1cf3A1 TYR 435 HD2 -0.17 0.03 -0.39 -0.04 7.15 6.57 1cf3A1 TYR 435 HE2 0.01 0.03 -0.05 -0.04 6.85 6.80 1cf3A1 VAL 436 H -0.28 0.72 0.31 -0.55 8.24 8.44 1cf3A1 VAL 436 HA -0.07 0.33 0.87 -0.75 4.13 4.50 1cf3A1 VAL 436 HB -0.22 -0.09 0.03 -0.04 2.12 1.80 1cf3A1 VAL 436 HG13 -0.15 -0.00 0.02 -0.04 0.97 0.79 1cf3A1 VAL 436 HG23 -0.03 0.01 -0.10 -0.04 0.95 0.79 1cf3A1 HIS 437 H 0.15 0.52 0.29 -0.55 8.41 8.83 1cf3A1 HIS 437 HA -0.05 0.09 0.35 -0.75 4.63 4.27 1cf3A1 HIS 437 HB2 -0.01 -0.01 0.07 -0.04 3.26 3.27 1cf3A1 HIS 437 HB3 -0.08 0.05 0.13 -0.04 3.20 3.27 1cf3A1 HIS 437 HD2 -0.57 -0.02 -0.10 -0.04 6.97 6.23 1cf3A1 HIS 437 HE1 -0.13 0.11 0.02 -0.04 7.75 7.71 1cf3A1 ILE 438 H -0.05 0.13 0.08 -0.55 8.25 7.86 1cf3A1 ILE 438 HA 0.05 0.06 0.73 -0.75 4.18 4.27 1cf3A1 ILE 438 HB -0.09 0.10 0.12 -0.04 1.89 1.98 1cf3A1 ILE 438 HG12 -0.18 -0.08 0.02 -0.04 1.49 1.21 1cf3A1 ILE 438 HG13 -0.08 0.03 -0.20 -0.04 1.21 0.91 1cf3A1 ILE 438 HG23 -0.78 -0.00 0.03 -0.04 0.93 0.15 1cf3A1 ILE 438 HD13 -0.20 0.05 -0.23 -0.04 0.88 0.45 1cf3A1 LEU 439 H 0.02 0.46 0.35 -0.55 8.37 8.65 1cf3A1 LEU 439 HA -0.04 0.21 0.84 -0.75 4.35 4.60 1cf3A1 LEU 439 HB2 -0.71 0.04 -0.20 -0.04 1.64 0.72 1cf3A1 LEU 439 HB3 -0.28 -0.03 0.05 -0.04 1.64 1.33 1cf3A1 LEU 439 HG -0.11 -0.05 -0.38 -0.04 1.64 1.06 1cf3A1 LEU 439 HD13 -0.38 -0.02 -0.28 -0.04 0.93 0.21 1cf3A1 LEU 439 HD23 -0.04 0.03 -0.08 -0.04 0.89 0.76 1cf3A1 ASP 440 H 0.11 0.20 0.18 -0.55 8.40 8.35 1cf3A1 ASP 440 HA 0.09 0.20 0.67 -0.75 4.63 4.84 1cf3A1 ASP 440 HB2 0.28 0.07 -0.18 -0.04 2.71 2.85 1cf3A1 ASP 440 HB3 0.16 -0.01 -0.06 -0.04 2.70 2.75 1cf3A1 LYS 441 H 0.06 0.17 0.15 -0.55 8.42 8.25 1cf3A1 LYS 441 HA 0.15 0.14 0.33 -0.75 4.32 4.18 1cf3A1 LYS 441 HB2 0.04 0.29 0.09 -0.04 1.87 2.24 1cf3A1 LYS 441 HB3 0.02 -0.10 0.10 -0.04 1.79 1.78 1cf3A1 LYS 441 HG2 0.01 -0.10 -0.11 -0.04 1.46 1.22 1cf3A1 LYS 441 HG3 0.05 0.03 0.05 -0.04 1.46 1.54 1cf3A1 LYS 441 HD2 0.01 -0.04 0.02 -0.04 1.69 1.63 1cf3A1 LYS 441 HD3 0.02 0.16 -0.20 -0.04 1.68 1.61 1cf3A1 LYS 441 HE2 0.00 0.00 0.06 -0.04 2.99 3.02 1cf3A1 LYS 441 HE3 0.01 0.03 0.06 -0.04 2.99 3.06 1cf3A1 ASP 442 H 0.00 0.01 -0.12 -0.55 8.40 7.74 1cf3A1 ASP 442 HA -0.17 0.23 0.65 -0.75 4.63 4.59 1cf3A1 ASP 442 HB2 -0.06 0.07 0.06 -0.04 2.71 2.74 1cf3A1 ASP 442 HB3 -0.07 -0.01 0.11 -0.04 2.70 2.69 1cf3A1 PRO 443 HA -1.67 0.11 0.18 -0.51 4.44 2.55 1cf3A1 PRO 443 HB2 -1.60 -0.07 -0.08 -0.04 2.28 0.49 1cf3A1 PRO 443 HB3 -1.06 0.20 0.11 -0.04 2.02 1.23 1cf3A1 PRO 443 HG2 -0.52 -0.05 -0.05 -0.04 2.03 1.37 1cf3A1 PRO 443 HG3 -0.80 0.19 0.04 -0.04 2.03 1.42 1cf3A1 PRO 443 HD2 -0.37 -0.03 0.15 -0.04 3.68 3.39 1cf3A1 PRO 443 HD3 -0.34 0.52 0.45 -0.04 3.65 4.24 1cf3A1 TYR 444 H -0.54 0.09 -0.31 -0.55 8.29 6.97 1cf3A1 TYR 444 HA -0.54 0.19 0.35 -0.75 4.56 3.81 1cf3A1 TYR 444 HB2 -0.25 -0.16 -0.14 -0.04 3.06 2.48 1cf3A1 TYR 444 HB3 -0.11 0.18 -0.29 -0.04 2.98 2.71 1cf3A1 TYR 444 HD2 -0.11 0.03 -0.30 -0.04 7.15 6.73 1cf3A1 TYR 444 HE2 -0.01 0.12 -0.21 -0.04 6.85 6.71 1cf3A1 LEU 445 H -0.23 0.29 -0.43 -0.55 8.37 7.45 1cf3A1 LEU 445 HA -0.01 0.09 0.49 -0.75 4.35 4.18 1cf3A1 LEU 445 HB2 -0.05 -0.10 0.03 -0.04 1.64 1.48 1cf3A1 LEU 445 HB3 -0.00 0.09 -0.00 -0.04 1.64 1.68 1cf3A1 LEU 445 HG 0.02 0.02 -0.13 -0.04 1.64 1.51 1cf3A1 LEU 445 HD13 -0.02 0.00 0.03 -0.04 0.93 0.90 1cf3A1 LEU 445 HD23 -0.03 -0.01 -0.02 -0.04 0.89 0.78 1cf3A1 HIS 446 H -0.31 0.26 -0.32 -0.55 8.41 7.50 1cf3A1 HIS 446 HA 0.25 0.03 0.23 -0.75 4.63 4.38 1cf3A1 HIS 446 HB2 0.09 0.16 -0.17 -0.04 3.26 3.31 1cf3A1 HIS 446 HB3 0.28 -0.07 0.14 -0.04 3.20 3.51 1cf3A1 HIS 446 HD2 -0.09 0.15 -0.19 -0.04 6.97 6.80 1cf3A1 HIS 446 HE1 -0.30 -0.09 -0.07 -0.04 7.75 7.25 1cf3A1 HIS 447 H 0.25 0.09 -0.26 -0.55 8.41 7.94 1cf3A1 HIS 447 HA -0.09 0.19 0.78 -0.75 4.63 4.75 1cf3A1 HIS 447 HB2 0.02 0.07 -0.12 -0.04 3.26 3.19 1cf3A1 HIS 447 HB3 0.05 -0.10 0.05 -0.04 3.20 3.16 1cf3A1 HIS 447 HD2 0.02 0.03 -0.23 -0.04 6.97 6.74 1cf3A1 HIS 447 HE1 -0.02 -0.01 -0.04 -0.04 7.75 7.64 1cf3A1 PHE 448 H -0.59 0.36 0.13 -0.55 8.34 7.68 1cf3A1 PHE 448 HA -0.07 0.11 0.85 -0.75 4.62 4.75 1cf3A1 PHE 448 HB2 -0.01 0.05 -0.15 -0.04 3.15 3.00 1cf3A1 PHE 448 HB3 0.02 -0.03 -0.29 -0.04 3.06 2.72 1cf3A1 PHE 448 HD2 0.09 -0.07 -0.49 -0.04 7.28 6.76 1cf3A1 PHE 448 HE2 0.06 0.01 -0.07 -0.04 7.38 7.34 1cf3A1 PHE 448 HZ 0.15 -0.09 -0.00 -0.04 7.32 7.34 1cf3A1 ALA 449 H 0.20 0.86 0.26 -0.55 8.40 9.17 1cf3A1 ALA 449 HA 0.07 0.14 0.90 -0.75 4.34 4.70 1cf3A1 ALA 449 HB3 0.16 0.00 0.04 -0.04 1.41 1.57 1cf3A1 TYR 450 H 0.22 0.27 0.11 -0.55 8.29 8.35 1cf3A1 TYR 450 HA -0.09 0.24 1.02 -0.75 4.56 4.98 1cf3A1 TYR 450 HB2 0.16 0.03 -0.06 -0.04 3.06 3.15 1cf3A1 TYR 450 HB3 0.17 0.09 0.12 -0.04 2.98 3.32 1cf3A1 TYR 450 HD2 -0.09 0.02 -0.11 -0.04 7.15 6.93 1cf3A1 TYR 450 HE2 -0.06 -0.07 -0.16 -0.04 6.85 6.52 1cf3A1 ASP 451 H -0.62 0.85 0.25 -0.55 8.40 8.33 1cf3A1 ASP 451 HA -0.22 0.15 0.99 -0.75 4.63 4.79 1cf3A1 ASP 451 HB2 -0.40 0.01 -0.11 -0.04 2.71 2.17 1cf3A1 ASP 451 HB3 -1.16 0.08 0.18 -0.04 2.70 1.75 1cf3A1 PRO 452 HA -0.47 0.15 0.26 -0.51 4.44 3.87 1cf3A1 PRO 452 HB2 -1.77 -0.07 -0.13 -0.04 2.28 0.26 1cf3A1 PRO 452 HB3 -0.68 0.00 -0.05 -0.04 2.02 1.25 1cf3A1 PRO 452 HG2 -0.05 0.03 -0.05 -0.04 2.03 1.91 1cf3A1 PRO 452 HG3 -0.35 0.05 -0.13 -0.04 2.03 1.56 1cf3A1 PRO 452 HD2 -0.22 0.06 0.12 -0.04 3.68 3.60 1cf3A1 PRO 452 HD3 -0.08 0.29 -0.12 -0.04 3.65 3.70 1cf3A1 GLN 453 H -0.30 0.08 -0.36 -0.55 8.47 7.35 1cf3A1 GLN 453 HA -0.12 -0.01 0.22 -0.75 4.36 3.69 1cf3A1 GLN 453 HB2 -0.12 0.12 -0.22 -0.04 2.15 1.89 1cf3A1 GLN 453 HB3 -0.06 -0.06 0.09 -0.04 2.02 1.95 1cf3A1 GLN 453 HG2 -0.10 -0.06 -0.02 -0.04 2.40 2.17 1cf3A1 GLN 453 HG3 -0.21 0.11 -0.17 -0.04 2.39 2.08 1cf3A1 GLN 453 HE21 0.18 0.30 -0.07 -0.04 6.97 7.35 1cf3A1 GLN 453 HE22 0.05 -0.07 0.01 -0.04 7.69 7.64 1cf3A1 TYR 454 H -0.36 0.02 -0.31 -0.55 8.29 7.09 1cf3A1 TYR 454 HA -0.34 0.03 0.28 -0.75 4.56 3.77 1cf3A1 TYR 454 HB2 -0.18 -0.01 -0.03 -0.04 3.06 2.80 1cf3A1 TYR 454 HB3 -0.99 0.04 -0.11 -0.04 2.98 1.88 1cf3A1 TYR 454 HD2 -0.08 0.01 -0.14 -0.04 7.15 6.91 1cf3A1 TYR 454 HE2 0.01 0.01 -0.18 -0.04 6.85 6.65 1cf3A1 PHE 455 H -0.33 0.08 0.14 -0.55 8.34 7.67 1cf3A1 PHE 455 HA -0.09 -0.09 0.29 -0.75 4.62 3.98 1cf3A1 PHE 455 HB2 -0.13 0.20 -0.13 -0.04 3.15 3.05 1cf3A1 PHE 455 HB3 -0.10 0.01 0.14 -0.04 3.06 3.07 1cf3A1 PHE 455 HD2 -0.31 -0.02 -0.21 -0.04 7.28 6.70 1cf3A1 PHE 455 HE2 -0.92 0.08 -0.16 -0.04 7.38 6.34 1cf3A1 PHE 455 HZ -0.33 0.05 -0.18 -0.04 7.32 6.81 1cf3A1 LEU 456 H -0.01 0.39 -0.22 -0.55 8.37 7.98 1cf3A1 LEU 456 HA 0.03 0.21 0.63 -0.75 4.35 4.47 1cf3A1 LEU 456 HB2 -0.01 0.05 0.03 -0.04 1.64 1.67 1cf3A1 LEU 456 HB3 0.02 -0.01 0.11 -0.04 1.64 1.72 1cf3A1 LEU 456 HG 0.01 0.07 -0.29 -0.04 1.64 1.38 1cf3A1 LEU 456 HD13 0.01 -0.01 -0.01 -0.04 0.93 0.88 1cf3A1 LEU 456 HD23 0.05 -0.01 -0.23 -0.04 0.89 0.66 1cf3A1 ASN 457 H -0.05 0.00 -0.16 -0.55 8.53 7.77 1cf3A1 ASN 457 HA -0.24 0.24 0.79 -0.75 4.76 4.80 1cf3A1 ASN 457 HB2 -0.18 0.20 -0.10 -0.04 2.88 2.76 1cf3A1 ASN 457 HB3 -0.17 -0.16 0.11 -0.04 2.79 2.53 1cf3A1 ASN 457 HD21 -2.05 0.01 -0.03 -0.04 7.03 4.92 1cf3A1 ASN 457 HD22 -0.50 0.17 -0.05 -0.04 7.74 7.33 1cf3A1 GLU 458 H -0.25 0.26 0.05 -0.55 8.60 8.11 1cf3A1 GLU 458 HA -0.04 0.15 0.28 -0.75 4.29 3.93 1cf3A1 GLU 458 HB2 0.04 0.04 0.06 -0.04 2.09 2.19 1cf3A1 GLU 458 HB3 0.04 0.11 0.09 -0.04 1.99 2.19 1cf3A1 GLU 458 HG2 0.03 -0.09 0.07 -0.04 2.34 2.31 1cf3A1 GLU 458 HG3 0.18 -0.00 -0.14 -0.04 2.34 2.33 1cf3A1 LEU 459 H -0.64 0.11 -0.21 -0.55 8.37 7.09 1cf3A1 LEU 459 HA -0.02 0.11 0.46 -0.75 4.35 4.15 1cf3A1 LEU 459 HB2 -0.31 0.03 0.03 -0.04 1.64 1.35 1cf3A1 LEU 459 HB3 -0.70 -0.01 0.01 -0.04 1.64 0.90 1cf3A1 LEU 459 HG 0.16 -0.01 -0.16 -0.04 1.64 1.59 1cf3A1 LEU 459 HD13 0.06 -0.00 0.03 -0.04 0.93 0.98 1cf3A1 LEU 459 HD23 -0.21 0.02 -0.06 -0.04 0.89 0.61 1cf3A1 ASP 460 H -0.16 0.16 -0.20 -0.55 8.40 7.65 1cf3A1 ASP 460 HA 0.10 0.09 0.50 -0.75 4.63 4.56 1cf3A1 ASP 460 HB2 0.04 0.15 0.14 -0.04 2.71 3.00 1cf3A1 ASP 460 HB3 0.04 0.04 0.05 -0.04 2.70 2.79 1cf3A1 LEU 461 H 0.06 0.31 -0.21 -0.55 8.37 7.98 1cf3A1 LEU 461 HA -0.03 0.08 0.54 -0.75 4.35 4.18 1cf3A1 LEU 461 HB2 0.00 0.06 0.09 -0.04 1.64 1.75 1cf3A1 LEU 461 HB3 -0.02 0.07 0.15 -0.04 1.64 1.80 1cf3A1 LEU 461 HG -0.10 -0.06 -0.17 -0.04 1.64 1.28 1cf3A1 LEU 461 HD13 -0.53 0.04 0.07 -0.04 0.93 0.47 1cf3A1 LEU 461 HD23 -0.07 0.04 -0.00 -0.04 0.89 0.82 1cf3A1 LEU 462 H 0.03 0.56 -0.00 -0.55 8.37 8.41 1cf3A1 LEU 462 HA 0.01 0.04 0.38 -0.75 4.35 4.03 1cf3A1 LEU 462 HB2 0.12 0.01 0.16 -0.04 1.64 1.89 1cf3A1 LEU 462 HB3 0.21 -0.04 -0.01 -0.04 1.64 1.76 1cf3A1 LEU 462 HG 0.03 0.09 0.09 -0.04 1.64 1.81 1cf3A1 LEU 462 HD13 0.04 -0.02 -0.08 -0.04 0.93 0.83 1cf3A1 LEU 462 HD23 0.02 -0.01 -0.02 -0.04 0.89 0.84 1cf3A1 GLY 463 H 0.16 0.66 -0.18 -0.55 8.43 8.52 1cf3A1 GLY 463 HA2 -0.30 0.01 0.36 -0.51 4.01 3.57 1cf3A1 GLY 463 HA3 0.20 0.07 0.25 -0.51 4.01 4.02 1cf3A1 GLN 464 H 0.02 0.54 -0.18 -0.55 8.47 8.31 1cf3A1 GLN 464 HA -0.09 -0.02 0.51 -0.75 4.36 4.00 1cf3A1 GLN 464 HB2 0.18 0.00 0.16 -0.04 2.15 2.45 1cf3A1 GLN 464 HB3 0.09 0.10 0.14 -0.04 2.02 2.30 1cf3A1 GLN 464 HG2 0.34 0.00 -0.11 -0.04 2.40 2.59 1cf3A1 GLN 464 HG3 0.08 0.01 -0.24 -0.04 2.39 2.20 1cf3A1 GLN 464 HE21 0.10 0.31 -0.01 -0.04 6.97 7.33 1cf3A1 GLN 464 HE22 0.11 -0.02 -0.07 -0.04 7.69 7.66 1cf3A1 ALA 465 H -0.09 0.55 -0.20 -0.55 8.40 8.12 1cf3A1 ALA 465 HA -0.08 0.05 0.30 -0.75 4.34 3.86 1cf3A1 ALA 465 HB3 -0.00 0.02 -0.01 -0.04 1.41 1.37 1cf3A1 ALA 466 H -0.29 0.57 -0.14 -0.55 8.40 8.00 1cf3A1 ALA 466 HA -0.44 -0.01 0.43 -0.75 4.34 3.57 1cf3A1 ALA 466 HB3 -0.67 0.05 0.02 -0.04 1.41 0.76 1cf3A1 ALA 467 H -0.40 0.52 -0.27 -0.55 8.40 7.70 1cf3A1 ALA 467 HA -0.46 0.06 0.29 -0.75 4.34 3.47 1cf3A1 ALA 467 HB3 -0.35 -0.00 -0.07 -0.04 1.41 0.94 1cf3A1 THR 468 H -0.39 0.56 -0.23 -0.55 8.28 7.68 1cf3A1 THR 468 HA -0.32 0.03 0.58 -0.75 4.39 3.92 1cf3A1 THR 468 HB -0.58 0.04 0.05 -0.04 4.32 3.80 1cf3A1 THR 468 HG23 0.02 -0.01 -0.12 -0.04 1.22 1.07 1cf3A1 GLN 469 H -0.98 0.65 -0.13 -0.55 8.47 7.47 1cf3A1 GLN 469 HA -1.13 0.02 0.36 -0.75 4.36 2.84 1cf3A1 GLN 469 HB2 -1.64 0.00 0.07 -0.04 2.15 0.54 1cf3A1 GLN 469 HB3 -0.65 0.10 0.14 -0.04 2.02 1.57 1cf3A1 GLN 469 HG2 -0.28 -0.04 -0.10 -0.04 2.40 1.94 1cf3A1 GLN 469 HG3 -0.19 0.04 0.00 -0.04 2.39 2.20 1cf3A1 GLN 469 HE21 0.07 -0.26 -0.05 -0.04 6.97 6.69 1cf3A1 GLN 469 HE22 0.18 0.34 -0.03 -0.04 7.69 8.13 1cf3A1 LEU 470 H -0.48 0.49 -0.27 -0.55 8.37 7.56 1cf3A1 LEU 470 HA -0.23 -0.02 0.37 -0.75 4.35 3.71 1cf3A1 LEU 470 HB2 -0.36 0.13 0.11 -0.04 1.64 1.48 1cf3A1 LEU 470 HB3 -0.46 0.12 0.13 -0.04 1.64 1.38 1cf3A1 LEU 470 HG -0.41 -0.04 -0.26 -0.04 1.64 0.88 1cf3A1 LEU 470 HD13 -0.03 -0.01 0.01 -0.04 0.93 0.86 1cf3A1 LEU 470 HD23 -0.96 0.02 -0.13 -0.04 0.89 -0.23 1cf3A1 ALA 471 H -0.40 0.41 -0.30 -0.55 8.40 7.56 1cf3A1 ALA 471 HA -0.56 -0.03 0.38 -0.75 4.34 3.37 1cf3A1 ALA 471 HB3 -0.37 0.04 0.04 -0.04 1.41 1.08 1cf3A1 ARG 472 H -0.21 0.41 -0.24 -0.55 8.46 7.87 1cf3A1 ARG 472 HA 0.10 -0.00 0.43 -0.75 4.34 4.11 1cf3A1 ARG 472 HB2 0.15 -0.02 0.10 -0.04 1.90 2.09 1cf3A1 ARG 472 HB3 -0.07 0.15 0.19 -0.04 1.80 2.03 1cf3A1 ARG 472 HG2 -0.22 0.02 -0.23 -0.04 1.67 1.19 1cf3A1 ARG 472 HG3 0.02 -0.09 0.02 -0.04 1.67 1.57 1cf3A1 ARG 472 HD2 0.15 -0.01 0.02 -0.04 3.22 3.35 1cf3A1 ARG 472 HD3 -0.54 0.18 0.08 -0.04 3.22 2.89 1cf3A1 ASN 473 H -0.14 0.60 -0.05 -0.55 8.53 8.38 1cf3A1 ASN 473 HA -0.08 -0.00 0.29 -0.75 4.76 4.22 1cf3A1 ASN 473 HB2 -0.10 0.03 0.09 -0.04 2.88 2.85 1cf3A1 ASN 473 HB3 -0.08 0.10 0.16 -0.04 2.79 2.93 1cf3A1 ASN 473 HD21 -0.01 -0.05 -0.01 -0.04 7.03 6.91 1cf3A1 ASN 473 HD22 -0.05 0.01 0.00 -0.04 7.74 7.66 1cf3A1 ILE 474 H -0.03 0.63 -0.16 -0.55 8.25 8.14 1cf3A1 ILE 474 HA 0.06 0.00 0.26 -0.75 4.18 3.75 1cf3A1 ILE 474 HB 0.19 0.06 0.04 -0.04 1.89 2.14 1cf3A1 ILE 474 HG12 0.13 -0.04 -0.07 -0.04 1.49 1.47 1cf3A1 ILE 474 HG13 0.09 -0.04 0.04 -0.04 1.21 1.26 1cf3A1 ILE 474 HG23 0.06 0.01 -0.12 -0.04 0.93 0.84 1cf3A1 ILE 474 HD13 0.08 -0.00 -0.14 -0.04 0.88 0.78 1cf3A1 SER 475 H 0.08 0.42 -0.45 -0.55 8.46 7.96 1cf3A1 SER 475 HA 0.27 -0.02 0.34 -0.75 4.49 4.33 1cf3A1 SER 475 HB2 0.18 0.23 0.09 -0.04 3.95 4.41 1cf3A1 SER 475 HB3 0.34 -0.12 -0.03 -0.04 3.93 4.08 1cf3A1 ASN 476 H -0.05 0.43 -0.47 -0.55 8.53 7.89 1cf3A1 ASN 476 HA -0.18 0.10 0.63 -0.75 4.76 4.56 1cf3A1 ASN 476 HB2 -0.98 -0.04 -0.13 -0.04 2.88 1.69 1cf3A1 ASN 476 HB3 -0.22 0.05 0.11 -0.04 2.79 2.69 1cf3A1 ASN 476 HD21 -0.11 -0.03 0.02 -0.04 7.03 6.87 1cf3A1 ASN 476 HD22 -0.11 0.00 0.03 -0.04 7.74 7.62 1cf3A1 SER 477 H 0.02 0.35 -0.23 -0.55 8.46 8.05 1cf3A1 SER 477 HA -0.00 0.15 0.92 -0.75 4.49 4.81 1cf3A1 SER 477 HB2 0.03 0.05 0.04 -0.04 3.95 4.03 1cf3A1 SER 477 HB3 0.01 -0.05 -0.06 -0.04 3.93 3.79 1cf3A1 GLY 478 H 0.01 0.15 0.14 -0.55 8.43 8.18 1cf3A1 GLY 478 HA2 0.01 0.07 0.35 -0.51 4.01 3.92 1cf3A1 GLY 478 HA3 0.01 0.05 0.42 -0.51 4.01 3.98 1cf3A1 ALA 479 H 0.02 0.17 0.18 -0.55 8.40 8.22 1cf3A1 ALA 479 HA 0.02 0.04 0.38 -0.75 4.34 4.02 1cf3A1 ALA 479 HB3 0.06 0.06 0.13 -0.04 1.41 1.62 1cf3A1 MET 480 H 0.08 0.45 -0.21 -0.55 8.47 8.24 1cf3A1 MET 480 HA 0.26 0.00 0.57 -0.75 4.52 4.60 1cf3A1 MET 480 HB2 0.10 -0.00 -0.06 -0.04 2.15 2.14 1cf3A1 MET 480 HB3 0.18 0.15 -0.02 -0.04 2.03 2.29 1cf3A1 MET 480 HG2 0.10 -0.05 -0.10 -0.04 2.63 2.54 1cf3A1 MET 480 HG3 0.14 0.26 0.03 -0.04 2.56 2.95 1cf3A1 MET 480 HE3 0.19 0.02 -0.06 -0.04 2.10 2.21 1cf3A1 GLN 481 H 0.05 0.45 -0.42 -0.55 8.47 8.00 1cf3A1 GLN 481 HA 0.08 0.06 0.31 -0.75 4.36 4.06 1cf3A1 GLN 481 HB2 0.01 0.04 -0.04 -0.04 2.15 2.12 1cf3A1 GLN 481 HB3 0.03 -0.01 -0.03 -0.04 2.02 1.97 1cf3A1 GLN 481 HG2 -0.02 0.06 -0.28 -0.04 2.40 2.12 1cf3A1 GLN 481 HG3 0.01 -0.02 -0.40 -0.04 2.39 1.94 1cf3A1 GLN 481 HE21 0.00 -0.05 -0.01 -0.04 6.97 6.87 1cf3A1 GLN 481 HE22 0.00 0.12 -0.03 -0.04 7.69 7.74 1cf3A1 THR 482 H -0.04 0.23 -0.45 -0.55 8.28 7.46 1cf3A1 THR 482 HA -0.11 0.05 0.37 -0.75 4.39 3.94 1cf3A1 THR 482 HB -0.63 0.11 -0.00 -0.04 4.32 3.76 1cf3A1 THR 482 HG23 -0.39 -0.02 -0.05 -0.04 1.22 0.71 1cf3A1 TYR 483 H 0.07 0.40 -0.27 -0.55 8.29 7.94 1cf3A1 TYR 483 HA 0.05 0.03 0.81 -0.75 4.56 4.70 1cf3A1 TYR 483 HB2 0.08 0.16 0.06 -0.04 3.06 3.32 1cf3A1 TYR 483 HB3 0.05 -0.10 0.07 -0.04 2.98 2.96 1cf3A1 TYR 483 HD2 0.04 -0.02 -0.03 -0.04 7.15 7.10 1cf3A1 TYR 483 HE2 0.02 0.01 -0.21 -0.04 6.85 6.63 1cf3A1 PHE 484 H 0.28 0.28 -0.10 -0.55 8.34 8.26 1cf3A1 PHE 484 HA 0.10 0.06 0.47 -0.75 4.62 4.50 1cf3A1 PHE 484 HB2 0.10 0.23 0.12 -0.04 3.15 3.57 1cf3A1 PHE 484 HB3 0.06 0.06 0.17 -0.04 3.06 3.30 1cf3A1 PHE 484 HD2 0.07 0.09 -0.09 -0.04 7.28 7.32 1cf3A1 PHE 484 HE2 0.04 0.01 -0.08 -0.04 7.38 7.30 1cf3A1 PHE 484 HZ -0.03 -0.06 0.01 -0.04 7.32 7.20 1cf3A1 ALA 485 H -0.30 0.78 0.29 -0.55 8.40 8.63 1cf3A1 ALA 485 HA -0.19 0.18 0.81 -0.75 4.34 4.38 1cf3A1 ALA 485 HB3 -0.08 -0.04 -0.26 -0.04 1.41 0.99 1cf3A1 GLY 486 H -1.75 0.08 -0.14 -0.55 8.43 6.07 1cf3A1 GLY 486 HA2 -0.53 -0.04 0.37 -0.51 4.01 3.31 1cf3A1 GLY 486 HA3 -0.28 0.22 0.78 -0.51 4.01 4.22 1cf3A1 GLU 487 H 0.01 0.11 0.17 -0.55 8.60 8.35 1cf3A1 GLU 487 HA 0.13 0.09 0.75 -0.75 4.29 4.51 1cf3A1 GLU 487 HB2 0.47 0.04 0.11 -0.04 2.09 2.67 1cf3A1 GLU 487 HB3 0.23 -0.04 0.13 -0.04 1.99 2.27 1cf3A1 GLU 487 HG2 0.16 -0.21 -0.39 -0.04 2.34 1.86 1cf3A1 GLU 487 HG3 0.24 0.23 0.05 -0.04 2.34 2.81 1cf3A1 THR 488 H 0.10 0.67 0.44 -0.55 8.28 8.94 1cf3A1 THR 488 HA 0.04 0.18 0.98 -0.75 4.39 4.84 1cf3A1 THR 488 HB 0.05 -0.01 -0.03 -0.04 4.32 4.28 1cf3A1 THR 488 HG23 0.01 0.01 -0.15 -0.04 1.22 1.05 1cf3A1 ILE 489 H 0.13 0.48 0.29 -0.55 8.25 8.60 1cf3A1 ILE 489 HA 0.09 0.16 0.26 -0.75 4.18 3.94 1cf3A1 ILE 489 HB 0.15 -0.13 0.08 -0.04 1.89 1.95 1cf3A1 ILE 489 HG12 0.10 0.11 -0.00 -0.04 1.49 1.65 1cf3A1 ILE 489 HG13 0.10 -0.09 -0.48 -0.04 1.21 0.69 1cf3A1 ILE 489 HG23 0.17 0.06 -0.08 -0.04 0.93 1.04 1cf3A1 ILE 489 HD13 0.11 -0.00 -0.09 -0.04 0.88 0.86 1cf3A1 PRO 490 HA 0.08 0.11 0.31 -0.51 4.44 4.44 1cf3A1 PRO 490 HB2 -0.29 0.08 -0.20 -0.04 2.28 1.83 1cf3A1 PRO 490 HB3 -0.34 0.05 -0.07 -0.04 2.02 1.62 1cf3A1 PRO 490 HG2 -0.67 0.05 0.01 -0.04 2.03 1.38 1cf3A1 PRO 490 HG3 -0.24 0.09 0.05 -0.04 2.03 1.88 1cf3A1 PRO 490 HD2 0.11 0.06 0.24 -0.04 3.68 4.05 1cf3A1 PRO 490 HD3 0.25 0.20 0.38 -0.04 3.65 4.44 1cf3A1 GLY 491 H 0.07 0.15 -0.36 -0.55 8.43 7.75 1cf3A1 GLY 491 HA2 0.07 0.09 0.08 -0.51 4.01 3.74 1cf3A1 GLY 491 HA3 0.04 0.18 0.12 -0.51 4.01 3.84 1cf3A1 ASP 492 H 0.02 0.19 0.18 -0.55 8.40 8.25 1cf3A1 ASP 492 HA 0.00 0.04 0.32 -0.75 4.63 4.23 1cf3A1 ASP 492 HB2 0.02 0.05 0.05 -0.04 2.71 2.79 1cf3A1 ASP 492 HB3 0.01 -0.01 0.05 -0.04 2.70 2.70 1cf3A1 ASN 493 H -0.01 0.52 -0.32 -0.55 8.53 8.17 1cf3A1 ASN 493 HA 0.01 0.06 0.49 -0.75 4.76 4.57 1cf3A1 ASN 493 HB2 0.02 0.10 0.07 -0.04 2.88 3.02 1cf3A1 ASN 493 HB3 0.09 -0.01 0.08 -0.04 2.79 2.90 1cf3A1 ASN 493 HD21 0.09 -0.04 0.03 -0.04 7.03 7.07 1cf3A1 ASN 493 HD22 0.11 0.01 0.06 -0.04 7.74 7.88 1cf3A1 LEU 494 H -0.15 0.39 -0.59 -0.55 8.37 7.47 1cf3A1 LEU 494 HA -0.25 0.05 0.51 -0.75 4.35 3.90 1cf3A1 LEU 494 HB2 -1.03 0.09 -0.23 -0.04 1.64 0.44 1cf3A1 LEU 494 HB3 -0.81 -0.04 -0.06 -0.04 1.64 0.69 1cf3A1 LEU 494 HG -0.67 0.10 -0.22 -0.04 1.64 0.82 1cf3A1 LEU 494 HD13 -0.46 -0.04 -0.06 -0.04 0.93 0.33 1cf3A1 LEU 494 HD23 -2.25 -0.02 -0.11 -0.04 0.89 -1.53 1cf3A1 ALA 495 H -0.14 0.10 0.02 -0.55 8.40 7.84 1cf3A1 ALA 495 HA -0.02 0.07 0.33 -0.75 4.34 3.97 1cf3A1 ALA 495 HB3 -0.04 -0.01 0.00 -0.04 1.41 1.32 1cf3A1 TYR 496 H 0.14 0.11 0.17 -0.55 8.29 8.16 1cf3A1 TYR 496 HA 0.01 0.17 0.20 -0.75 4.56 4.20 1cf3A1 TYR 496 HB2 0.04 0.02 0.14 -0.04 3.06 3.21 1cf3A1 TYR 496 HB3 0.03 -0.03 0.07 -0.04 2.98 3.01 1cf3A1 TYR 496 HD2 0.08 -0.01 -0.04 -0.04 7.15 7.14 1cf3A1 TYR 496 HE2 0.09 0.00 -0.01 -0.04 6.85 6.90 1cf3A1 ASP 497 H 0.07 -0.01 -0.30 -0.55 8.40 7.61 1cf3A1 ASP 497 HA -0.02 0.25 0.75 -0.75 4.63 4.86 1cf3A1 ASP 497 HB2 0.04 0.01 0.12 -0.04 2.71 2.83 1cf3A1 ASP 497 HB3 0.08 0.02 -0.00 -0.04 2.70 2.76 1cf3A1 ALA 498 H -0.06 0.46 -0.44 -0.55 8.40 7.82 1cf3A1 ALA 498 HA -0.04 -0.11 0.36 -0.75 4.34 3.79 1cf3A1 ALA 498 HB3 -0.30 0.01 -0.03 -0.04 1.41 1.04 1cf3A1 ASP 499 H 0.04 -0.02 0.16 -0.55 8.40 8.03 1cf3A1 ASP 499 HA 0.12 0.29 0.68 -0.75 4.63 4.97 1cf3A1 ASP 499 HB2 0.12 -0.06 0.20 -0.04 2.71 2.93 1cf3A1 ASP 499 HB3 0.08 0.15 0.12 -0.04 2.70 3.00 1cf3A1 LEU 500 H 0.09 0.18 0.14 -0.55 8.37 8.23 1cf3A1 LEU 500 HA 0.07 0.17 0.25 -0.75 4.35 4.09 1cf3A1 LEU 500 HB2 -0.41 0.07 0.11 -0.04 1.64 1.37 1cf3A1 LEU 500 HB3 -0.21 -0.03 0.10 -0.04 1.64 1.45 1cf3A1 LEU 500 HG -0.14 -0.03 -0.15 -0.04 1.64 1.29 1cf3A1 LEU 500 HD13 -0.23 0.03 -0.08 -0.04 0.93 0.61 1cf3A1 LEU 500 HD23 -0.66 0.01 -0.00 -0.04 0.89 0.20 1cf3A1 SER 501 H 0.07 0.08 -0.10 -0.55 8.46 7.97 1cf3A1 SER 501 HA 0.05 0.11 0.39 -0.75 4.49 4.29 1cf3A1 SER 501 HB2 0.04 0.08 0.04 -0.04 3.95 4.08 1cf3A1 SER 501 HB3 0.06 0.02 0.07 -0.04 3.93 4.04 1cf3A1 ALA 502 H 0.06 0.02 -0.30 -0.55 8.40 7.63 1cf3A1 ALA 502 HA 0.00 0.08 0.30 -0.75 4.34 3.96 1cf3A1 ALA 502 HB3 -0.07 0.04 0.06 -0.04 1.41 1.41 1cf3A1 TRP 503 H 0.21 0.42 -0.23 -0.55 7.97 7.83 1cf3A1 TRP 503 HA -0.01 0.05 0.40 -0.75 4.62 4.30 1cf3A1 TRP 503 HB2 -0.08 0.09 0.11 -0.04 3.23 3.30 1cf3A1 TRP 503 HB3 -0.06 -0.06 -0.01 -0.04 3.23 3.05 1cf3A1 TRP 503 HD1 -0.10 0.14 -0.33 -0.04 7.22 6.89 1cf3A1 TRP 503 HE1 -0.15 0.10 -0.09 -0.04 10.20 10.03 1cf3A1 TRP 503 HE3 0.04 -0.06 -0.00 -0.04 7.59 7.53 1cf3A1 TRP 503 HZ2 -0.15 0.03 -0.05 -0.04 7.44 7.23 1cf3A1 TRP 503 HZ3 0.06 0.03 -0.07 -0.04 7.13 7.11 1cf3A1 TRP 503 HH2 -0.09 0.05 -0.05 -0.04 7.19 7.06 1cf3A1 THR 504 H 0.14 0.43 -0.20 -0.55 8.28 8.10 1cf3A1 THR 504 HA 0.03 -0.00 0.27 -0.75 4.39 3.93 1cf3A1 THR 504 HB -0.03 -0.05 0.00 -0.04 4.32 4.20 1cf3A1 THR 504 HG23 0.01 0.06 -0.03 -0.04 1.22 1.22 1cf3A1 GLU 505 H 0.07 0.35 -0.25 -0.55 8.60 8.22 1cf3A1 GLU 505 HA 0.08 0.08 0.70 -0.75 4.29 4.39 1cf3A1 GLU 505 HB2 0.05 0.07 0.15 -0.04 2.09 2.32 1cf3A1 GLU 505 HB3 0.07 -0.01 0.03 -0.04 1.99 2.04 1cf3A1 GLU 505 HG2 0.06 0.01 0.04 -0.04 2.34 2.41 1cf3A1 GLU 505 HG3 0.05 -0.03 -0.03 -0.04 2.34 2.29 1cf3A1 TYR 506 H 0.18 0.31 -0.17 -0.55 8.29 8.06 1cf3A1 TYR 506 HA 0.16 0.07 0.49 -0.75 4.56 4.53 1cf3A1 TYR 506 HB2 -0.16 -0.03 0.05 -0.04 3.06 2.88 1cf3A1 TYR 506 HB3 -0.17 0.04 0.18 -0.04 2.98 2.99 1cf3A1 TYR 506 HD2 -0.09 0.05 -0.10 -0.04 7.15 6.97 1cf3A1 TYR 506 HE2 -0.31 -0.00 -0.07 -0.04 6.85 6.43 1cf3A1 ILE 507 H 0.21 0.56 0.02 -0.55 8.25 8.50 1cf3A1 ILE 507 HA 0.14 0.04 0.24 -0.75 4.18 3.85 1cf3A1 ILE 507 HB -0.12 0.06 0.06 -0.04 1.89 1.84 1cf3A1 ILE 507 HG12 0.57 0.10 0.04 -0.04 1.49 2.16 1cf3A1 ILE 507 HG13 0.22 -0.12 -0.13 -0.04 1.21 1.15 1cf3A1 ILE 507 HG23 -0.24 -0.02 -0.24 -0.04 0.93 0.38 1cf3A1 ILE 507 HD13 0.40 -0.00 -0.07 -0.04 0.88 1.18 1cf3A1 PRO 508 HA -0.05 -0.04 0.23 -0.51 4.44 4.07 1cf3A1 PRO 508 HB2 -0.61 0.11 -0.12 -0.04 2.28 1.62 1cf3A1 PRO 508 HB3 -0.21 -0.05 -0.04 -0.04 2.02 1.68 1cf3A1 PRO 508 HG2 -0.12 0.10 0.02 -0.04 2.03 1.99 1cf3A1 PRO 508 HG3 -0.36 -0.08 0.02 -0.04 2.03 1.56 1cf3A1 PRO 508 HD2 0.00 0.25 -0.63 -0.04 3.68 3.26 1cf3A1 PRO 508 HD3 -0.23 0.08 -0.02 -0.04 3.65 3.44 1cf3A1 TYR 509 H 0.01 0.40 -0.43 -0.55 8.29 7.72 1cf3A1 TYR 509 HA -0.09 0.10 0.78 -0.75 4.56 4.59 1cf3A1 TYR 509 HB2 -0.18 0.15 0.04 -0.04 3.06 3.03 1cf3A1 TYR 509 HB3 -0.38 -0.06 0.10 -0.04 2.98 2.59 1cf3A1 TYR 509 HD2 -0.04 0.10 0.04 -0.04 7.15 7.21 1cf3A1 TYR 509 HE2 0.00 0.03 0.03 -0.04 6.85 6.87 1cf3A1 HIS 510 H 0.07 0.46 -0.24 -0.55 8.41 8.15 1cf3A1 HIS 510 HA -0.04 0.14 0.73 -0.75 4.63 4.71 1cf3A1 HIS 510 HB2 -0.45 -0.01 0.10 -0.04 3.26 2.86 1cf3A1 HIS 510 HB3 -0.04 -0.09 0.18 -0.04 3.20 3.21 1cf3A1 HIS 510 HD2 -0.00 -0.06 0.04 -0.04 6.97 6.90 1cf3A1 HIS 510 HE1 -0.14 -0.02 -0.02 -0.04 7.75 7.52 1cf3A1 PHE 511 H -0.03 0.25 -0.02 -0.55 8.34 7.98 1cf3A1 PHE 511 HA 0.07 0.26 1.00 -0.75 4.62 5.20 1cf3A1 PHE 511 HB2 0.09 -0.03 0.00 -0.04 3.15 3.17 1cf3A1 PHE 511 HB3 0.17 0.13 -0.21 -0.04 3.06 3.11 1cf3A1 PHE 511 HD2 -0.12 0.08 -0.18 -0.04 7.28 7.01 1cf3A1 PHE 511 HE2 -0.57 0.01 -0.14 -0.04 7.38 6.63 1cf3A1 PHE 511 HZ -0.09 -0.10 -0.12 -0.04 7.32 6.97 1cf3A1 ARG 512 H 0.06 0.60 0.39 -0.55 8.46 8.95 1cf3A1 ARG 512 HA -0.48 0.16 0.81 -0.75 4.34 4.08 1cf3A1 ARG 512 HB2 -0.14 0.02 0.13 -0.04 1.90 1.87 1cf3A1 ARG 512 HB3 -0.11 0.03 -0.04 -0.04 1.80 1.64 1cf3A1 ARG 512 HG2 -0.01 0.00 -0.08 -0.04 1.67 1.54 1cf3A1 ARG 512 HG3 -0.15 -0.08 -0.07 -0.04 1.67 1.32 1cf3A1 ARG 512 HD2 -0.12 0.12 -0.05 -0.04 3.22 3.13 1cf3A1 ARG 512 HD3 0.07 -0.02 -0.05 -0.04 3.22 3.18 1cf3A1 PRO 513 HA -0.41 0.13 0.58 -0.51 4.44 4.24 1cf3A1 PRO 513 HB2 -0.30 -0.01 -0.02 -0.04 2.28 1.92 1cf3A1 PRO 513 HB3 0.07 -0.05 0.09 -0.04 2.02 2.09 1cf3A1 PRO 513 HG2 0.06 0.14 -0.05 -0.04 2.03 2.14 1cf3A1 PRO 513 HG3 -0.07 0.02 0.03 -0.04 2.03 1.97 1cf3A1 PRO 513 HD2 -0.14 0.17 0.25 -0.04 3.68 3.91 1cf3A1 PRO 513 HD3 -0.35 0.19 0.22 -0.04 3.65 3.66 1cf3A1 ASN 514 H -0.29 0.37 0.26 -0.55 8.53 8.32 1cf3A1 ASN 514 HA -0.76 0.25 0.60 -0.75 4.76 4.10 1cf3A1 ASN 514 HB2 -0.49 0.04 -0.31 -0.04 2.88 2.08 1cf3A1 ASN 514 HB3 -0.44 -0.16 0.03 -0.04 2.79 2.17 1cf3A1 ASN 514 HD21 -1.84 0.00 -0.07 -0.04 7.03 5.09 1cf3A1 ASN 514 HD22 -0.83 -0.03 -0.06 -0.04 7.74 6.78 1cf3A1 TYR 515 H -0.31 0.04 -0.12 -0.55 8.29 7.35 1cf3A1 TYR 515 HA 0.03 -0.02 0.29 -0.75 4.56 4.10 1cf3A1 TYR 515 HB2 -0.07 0.11 0.24 -0.04 3.06 3.29 1cf3A1 TYR 515 HB3 -0.02 0.09 0.22 -0.04 2.98 3.23 1cf3A1 TYR 515 HD2 -0.07 -0.02 -0.04 -0.04 7.15 6.98 1cf3A1 TYR 515 HE2 -0.10 0.16 0.07 -0.04 6.85 6.94 1cf3A1 HIS 516 H 0.08 -0.02 -0.23 -0.55 8.41 7.70 1cf3A1 HIS 516 HA 0.04 0.17 0.86 -0.75 4.63 4.94 1cf3A1 HIS 516 HB2 -0.11 -0.11 -0.03 -0.04 3.26 2.97 1cf3A1 HIS 516 HB3 -0.01 0.07 0.22 -0.04 3.20 3.44 1cf3A1 HIS 516 HD2 -0.02 0.11 -0.03 -0.04 6.97 6.99 1cf3A1 HIS 516 HE1 -0.12 0.04 0.07 -0.04 7.75 7.69 1cf3A1 GLY 517 H 0.17 0.04 -0.22 -0.55 8.43 7.88 1cf3A1 GLY 517 HA2 0.08 0.29 0.29 -0.51 4.01 4.15 1cf3A1 GLY 517 HA3 0.13 -0.05 0.16 -0.51 4.01 3.73 1cf3A1 VAL 518 H 0.03 0.49 0.33 -0.55 8.24 8.55 1cf3A1 VAL 518 HA 0.02 0.18 0.91 -0.75 4.13 4.49 1cf3A1 VAL 518 HB -0.01 0.07 0.11 -0.04 2.12 2.26 1cf3A1 VAL 518 HG13 0.20 -0.00 -0.11 -0.04 0.97 1.02 1cf3A1 VAL 518 HG23 0.04 0.08 -0.23 -0.04 0.95 0.80 1cf3A1 GLY 519 H -0.11 0.17 0.02 -0.55 8.43 7.97 1cf3A1 GLY 519 HA2 -0.16 0.16 0.24 -0.51 4.01 3.74 1cf3A1 GLY 519 HA3 -0.10 0.33 0.59 -0.51 4.01 4.31 1cf3A1 THR 520 H -0.09 -0.08 -0.14 -0.55 8.28 7.41 1cf3A1 THR 520 HA -0.09 0.49 0.33 -0.75 4.39 4.37 1cf3A1 THR 520 HB -0.11 -0.09 0.05 -0.04 4.32 4.13 1cf3A1 THR 520 HG23 -0.13 0.03 -0.20 -0.04 1.22 0.87 1cf3A1 CYS 521 H -0.12 0.41 -0.36 -0.55 8.50 7.88 1cf3A1 CYS 521 HA -0.09 0.14 0.37 -0.75 4.58 4.24 1cf3A1 CYS 521 HB2 -0.13 -0.17 -0.16 -0.04 2.97 2.47 1cf3A1 CYS 521 HB3 -0.12 0.03 -0.02 -0.04 2.97 2.82 1cf3A1 SER 522 H -0.09 0.32 -0.19 -0.55 8.46 7.96 1cf3A1 SER 522 HA -0.23 0.15 0.27 -0.75 4.49 3.92 1cf3A1 SER 522 HB2 -0.04 0.02 0.07 -0.04 3.95 3.96 1cf3A1 SER 522 HB3 -0.15 -0.04 -0.15 -0.04 3.93 3.55 1cf3A1 MET 523 H -0.38 0.74 0.24 -0.55 8.47 8.52 1cf3A1 MET 523 HA -0.21 0.16 0.77 -0.75 4.52 4.49 1cf3A1 MET 523 HB2 -0.42 -0.06 0.07 -0.04 2.15 1.70 1cf3A1 MET 523 HB3 -0.61 -0.01 0.17 -0.04 2.03 1.54 1cf3A1 MET 523 HG2 -0.38 -0.02 -0.20 -0.04 2.63 1.99 1cf3A1 MET 523 HG3 -0.29 0.17 -0.24 -0.04 2.56 2.16 1cf3A1 MET 523 HE3 -1.39 -0.02 -0.04 -0.04 2.10 0.61 1cf3A1 MET 524 H -0.01 0.41 0.22 -0.55 8.47 8.54 1cf3A1 MET 524 HA 0.03 0.17 0.10 -0.75 4.52 4.07 1cf3A1 MET 524 HB2 0.18 0.00 0.20 -0.04 2.15 2.49 1cf3A1 MET 524 HB3 -0.06 0.14 0.27 -0.04 2.03 2.34 1cf3A1 MET 524 HG2 0.00 -0.08 -0.33 -0.04 2.63 2.18 1cf3A1 MET 524 HG3 0.11 -0.05 -0.31 -0.04 2.56 2.26 1cf3A1 MET 524 HE3 0.18 -0.03 -0.25 -0.04 2.10 1.95 1cf3A1 PRO 525 HA 0.10 0.03 0.53 -0.51 4.44 4.60 1cf3A1 PRO 525 HB2 0.02 -0.15 -0.04 -0.04 2.28 2.07 1cf3A1 PRO 525 HB3 0.01 0.00 0.08 -0.04 2.02 2.07 1cf3A1 PRO 525 HG2 0.06 0.05 -0.02 -0.04 2.03 2.08 1cf3A1 PRO 525 HG3 0.09 0.09 0.07 -0.04 2.03 2.23 1cf3A1 PRO 525 HD2 0.13 0.05 0.18 -0.04 3.68 3.99 1cf3A1 PRO 525 HD3 0.12 0.57 0.21 -0.04 3.65 4.51 1cf3A1 LYS 526 H -0.36 0.14 0.16 -0.55 8.42 7.81 1cf3A1 LYS 526 HA -0.27 0.24 0.25 -0.75 4.32 3.79 1cf3A1 LYS 526 HB2 -1.00 -0.02 0.14 -0.04 1.87 0.94 1cf3A1 LYS 526 HB3 -0.32 -0.03 0.06 -0.04 1.79 1.46 1cf3A1 LYS 526 HG2 -0.21 0.00 0.00 -0.04 1.46 1.21 1cf3A1 LYS 526 HG3 -0.46 0.13 0.02 -0.04 1.46 1.11 1cf3A1 LYS 526 HD2 -0.42 -0.04 -0.02 -0.04 1.69 1.17 1cf3A1 LYS 526 HD3 -0.23 -0.04 -0.01 -0.04 1.68 1.36 1cf3A1 LYS 526 HE2 -0.07 0.09 -0.03 -0.04 2.99 2.95 1cf3A1 LYS 526 HE3 -0.06 -0.01 -0.04 -0.04 2.99 2.84 1cf3A1 GLU 527 H -0.09 0.05 -0.19 -0.55 8.60 7.82 1cf3A1 GLU 527 HA -0.04 0.13 0.48 -0.75 4.29 4.11 1cf3A1 GLU 527 HB2 -0.03 0.01 0.09 -0.04 2.09 2.12 1cf3A1 GLU 527 HB3 -0.05 0.00 0.08 -0.04 1.99 1.98 1cf3A1 GLU 527 HG2 -0.01 0.04 -0.13 -0.04 2.34 2.21 1cf3A1 GLU 527 HG3 -0.02 0.03 -0.04 -0.04 2.34 2.26 1cf3A1 MET 528 H 0.02 0.36 -0.39 -0.55 8.47 7.92 1cf3A1 MET 528 HA 0.05 0.07 0.73 -0.75 4.52 4.61 1cf3A1 MET 528 HB2 0.10 0.09 0.02 -0.04 2.15 2.31 1cf3A1 MET 528 HB3 0.14 0.02 0.12 -0.04 2.03 2.28 1cf3A1 MET 528 HG2 0.02 -0.04 0.01 -0.04 2.63 2.58 1cf3A1 MET 528 HG3 0.02 -0.09 -0.07 -0.04 2.56 2.38 1cf3A1 MET 528 HE3 -0.08 -0.01 0.01 -0.04 2.10 1.97 1cf3A1 GLY 529 H 0.06 0.37 -0.42 -0.55 8.43 7.90 1cf3A1 GLY 529 HA2 0.18 0.01 0.25 -0.51 4.01 3.95 1cf3A1 GLY 529 HA3 0.29 0.02 0.58 -0.51 4.01 4.39 1cf3A1 GLY 530 H 0.07 0.23 -0.23 -0.55 8.43 7.96 1cf3A1 GLY 530 HA2 0.06 0.07 0.31 -0.51 4.01 3.95 1cf3A1 GLY 530 HA3 0.15 0.28 0.06 -0.51 4.01 4.00 1cf3A1 VAL 531 H 0.02 0.66 0.23 -0.55 8.24 8.60 1cf3A1 VAL 531 HA 0.10 0.13 0.82 -0.75 4.13 4.43 1cf3A1 VAL 531 HB -0.08 -0.01 -0.24 -0.04 2.12 1.76 1cf3A1 VAL 531 HG13 -0.06 -0.03 -0.11 -0.04 0.97 0.72 1cf3A1 VAL 531 HG23 -0.05 0.01 -0.25 -0.04 0.95 0.62 1cf3A1 VAL 532 H -0.11 0.38 0.20 -0.55 8.24 8.16 1cf3A1 VAL 532 HA -0.52 0.29 1.00 -0.75 4.13 4.15 1cf3A1 VAL 532 HB -0.24 -0.15 -0.31 -0.04 2.12 1.39 1cf3A1 VAL 532 HG13 -0.16 -0.02 -0.35 -0.04 0.97 0.39 1cf3A1 VAL 532 HG23 -0.23 0.04 -0.17 -0.04 0.95 0.56 1cf3A1 ASP 533 H -0.45 0.43 0.16 -0.55 8.40 8.00 1cf3A1 ASP 533 HA -0.04 0.23 0.64 -0.75 4.63 4.71 1cf3A1 ASP 533 HB2 0.06 -0.05 0.17 -0.04 2.71 2.85 1cf3A1 ASP 533 HB3 -0.22 0.09 0.06 -0.04 2.70 2.58 1cf3A1 ASN 534 H 0.08 0.17 0.13 -0.55 8.53 8.36 1cf3A1 ASN 534 HA 0.02 0.17 0.17 -0.75 4.76 4.37 1cf3A1 ASN 534 HB2 0.45 0.09 0.08 -0.04 2.88 3.47 1cf3A1 ASN 534 HB3 0.18 0.01 0.15 -0.04 2.79 3.08 1cf3A1 ASN 534 HD21 0.14 -0.04 -0.01 -0.04 7.03 7.08 1cf3A1 ASN 534 HD22 0.25 0.38 0.06 -0.04 7.74 8.38 1cf3A1 ALA 535 H 0.05 -0.03 -0.49 -0.55 8.40 7.38 1cf3A1 ALA 535 HA 0.20 0.27 0.87 -0.75 4.34 4.93 1cf3A1 ALA 535 HB3 0.07 0.00 0.02 -0.04 1.41 1.46 1cf3A1 ALA 536 H -0.04 0.53 -0.15 -0.55 8.40 8.19 1cf3A1 ALA 536 HA -0.15 0.10 0.23 -0.75 4.34 3.77 1cf3A1 ALA 536 HB3 -0.05 0.10 -0.03 -0.04 1.41 1.38 1cf3A1 ARG 537 H -0.10 -0.10 -0.27 -0.55 8.46 7.44 1cf3A1 ARG 537 HA -0.07 0.25 0.70 -0.75 4.34 4.48 1cf3A1 ARG 537 HB2 -0.08 -0.17 0.03 -0.04 1.90 1.64 1cf3A1 ARG 537 HB3 -0.05 0.17 0.03 -0.04 1.80 1.91 1cf3A1 ARG 537 HG2 0.00 0.07 -0.11 -0.04 1.67 1.59 1cf3A1 ARG 537 HG3 -0.01 0.00 -0.19 -0.04 1.67 1.44 1cf3A1 ARG 537 HD2 0.02 0.04 -0.00 -0.04 3.22 3.23 1cf3A1 ARG 537 HD3 0.04 0.04 -0.04 -0.04 3.22 3.21 1cf3A1 VAL 538 H -0.08 0.51 0.30 -0.55 8.24 8.41 1cf3A1 VAL 538 HA -0.20 0.23 0.67 -0.75 4.13 4.07 1cf3A1 VAL 538 HB -0.04 -0.01 0.07 -0.04 2.12 2.09 1cf3A1 VAL 538 HG13 -0.03 0.05 -0.13 -0.04 0.97 0.82 1cf3A1 VAL 538 HG23 -0.07 -0.01 -0.12 -0.04 0.95 0.71 1cf3A1 TYR 539 H -0.21 0.42 0.21 -0.55 8.29 8.15 1cf3A1 TYR 539 HA -0.01 -0.05 0.36 -0.75 4.56 4.11 1cf3A1 TYR 539 HB2 -0.03 0.07 0.07 -0.04 3.06 3.13 1cf3A1 TYR 539 HB3 -0.02 -0.03 -0.07 -0.04 2.98 2.83 1cf3A1 TYR 539 HD2 -0.02 0.07 -0.16 -0.04 7.15 7.00 1cf3A1 TYR 539 HE2 -0.02 0.03 -0.26 -0.04 6.85 6.56 1cf3A1 GLY 540 H 0.11 0.08 0.18 -0.55 8.43 8.26 1cf3A1 GLY 540 HA2 0.05 -0.04 0.34 -0.51 4.01 3.85 1cf3A1 GLY 540 HA3 0.05 0.12 0.50 -0.51 4.01 4.18 1cf3A1 VAL 541 H 0.03 0.39 -0.16 -0.55 8.24 7.94 1cf3A1 VAL 541 HA 0.02 0.30 0.90 -0.75 4.13 4.59 1cf3A1 VAL 541 HB 0.00 -0.03 -0.08 -0.04 2.12 1.97 1cf3A1 VAL 541 HG13 0.01 0.01 -0.20 -0.04 0.97 0.76 1cf3A1 VAL 541 HG23 0.01 0.02 -0.30 -0.04 0.95 0.64 1cf3A1 GLN 542 H 0.02 0.76 0.33 -0.55 8.47 9.03 1cf3A1 GLN 542 HA 0.02 0.10 0.90 -0.75 4.36 4.62 1cf3A1 GLN 542 HB2 0.02 -0.01 0.09 -0.04 2.15 2.21 1cf3A1 GLN 542 HB3 0.02 0.00 0.05 -0.04 2.02 2.05 1cf3A1 GLN 542 HG2 0.02 -0.06 -0.07 -0.04 2.40 2.25 1cf3A1 GLN 542 HG3 0.02 0.14 -0.12 -0.04 2.39 2.39 1cf3A1 GLN 542 HE21 0.01 -0.05 -0.03 -0.04 6.97 6.86 1cf3A1 GLN 542 HE22 0.01 0.25 -0.12 -0.04 7.69 7.79 1cf3A1 GLY 543 H 0.04 0.13 0.19 -0.55 8.43 8.24 1cf3A1 GLY 543 HA2 0.06 0.04 0.37 -0.51 4.01 3.97 1cf3A1 GLY 543 HA3 0.04 0.26 0.56 -0.51 4.01 4.36 1cf3A1 LEU 544 H 0.02 0.18 -0.13 -0.55 8.37 7.89 1cf3A1 LEU 544 HA 0.03 0.32 1.01 -0.75 4.35 4.96 1cf3A1 LEU 544 HB2 0.02 0.04 -0.17 -0.04 1.64 1.49 1cf3A1 LEU 544 HB3 0.00 -0.01 -0.04 -0.04 1.64 1.55 1cf3A1 LEU 544 HG -0.02 -0.06 -0.25 -0.04 1.64 1.27 1cf3A1 LEU 544 HD13 0.01 0.03 0.01 -0.04 0.93 0.94 1cf3A1 LEU 544 HD23 -0.00 -0.00 -0.11 -0.04 0.89 0.74 1cf3A1 ARG 545 H 0.02 0.54 0.36 -0.55 8.46 8.82 1cf3A1 ARG 545 HA -0.05 0.23 1.05 -0.75 4.34 4.82 1cf3A1 ARG 545 HB2 -0.00 -0.12 -0.08 -0.04 1.90 1.65 1cf3A1 ARG 545 HB3 -0.03 0.13 -0.04 -0.04 1.80 1.81 1cf3A1 ARG 545 HG2 -0.00 0.02 -0.30 -0.04 1.67 1.34 1cf3A1 ARG 545 HG3 0.04 -0.06 -0.33 -0.04 1.67 1.28 1cf3A1 ARG 545 HD2 0.01 -0.06 -0.14 -0.04 3.22 2.98 1cf3A1 ARG 545 HD3 0.00 0.29 -0.10 -0.04 3.22 3.37 1cf3A1 VAL 546 H -0.09 0.62 0.21 -0.55 8.24 8.44 1cf3A1 VAL 546 HA -0.06 0.09 0.99 -0.75 4.13 4.39 1cf3A1 VAL 546 HB -0.12 0.11 0.08 -0.04 2.12 2.15 1cf3A1 VAL 546 HG13 -0.11 -0.06 -0.09 -0.04 0.97 0.67 1cf3A1 VAL 546 HG23 -0.07 0.02 -0.16 -0.04 0.95 0.69 1cf3A1 ILE 547 H -0.08 0.55 0.20 -0.55 8.25 8.36 1cf3A1 ILE 547 HA -0.12 0.30 0.95 -0.75 4.18 4.57 1cf3A1 ILE 547 HB -0.08 0.01 0.07 -0.04 1.89 1.85 1cf3A1 ILE 547 HG12 -0.06 0.07 -0.30 -0.04 1.49 1.16 1cf3A1 ILE 547 HG13 -0.08 -0.17 -0.34 -0.04 1.21 0.58 1cf3A1 ILE 547 HG23 -0.05 0.03 -0.31 -0.04 0.93 0.56 1cf3A1 ILE 547 HD13 -0.07 0.01 -0.23 -0.04 0.88 0.55 1cf3A1 ASP 548 H -0.14 0.07 -0.06 -0.55 8.40 7.72 1cf3A1 ASP 548 HA -0.21 0.26 0.81 -0.75 4.63 4.73 1cf3A1 ASP 548 HB2 -0.09 -0.17 0.15 -0.04 2.71 2.57 1cf3A1 ASP 548 HB3 -0.08 0.07 0.03 -0.04 2.70 2.67 1cf3A1 GLY 549 H -0.18 0.04 0.14 -0.55 8.43 7.89 1cf3A1 GLY 549 HA2 -0.69 0.17 0.28 -0.51 4.01 3.26 1cf3A1 GLY 549 HA3 -0.05 0.04 0.39 -0.51 4.01 3.88 1cf3A1 SER 550 H -0.15 -0.07 -0.62 -0.55 8.46 7.07 1cf3A1 SER 550 HA -0.10 0.01 0.40 -0.75 4.49 4.05 1cf3A1 SER 550 HB2 -0.14 0.15 -0.22 -0.04 3.95 3.70 1cf3A1 SER 550 HB3 -0.12 -0.01 -0.12 -0.04 3.93 3.64 1cf3A1 ILE 551 H -0.27 0.38 -0.21 -0.55 8.25 7.60 1cf3A1 ILE 551 HA -0.26 0.31 0.53 -0.75 4.18 4.01 1cf3A1 ILE 551 HB -0.34 -0.01 0.03 -0.04 1.89 1.53 1cf3A1 ILE 551 HG12 -0.34 0.11 -0.06 -0.04 1.49 1.16 1cf3A1 ILE 551 HG13 -0.46 -0.01 -0.22 -0.04 1.21 0.48 1cf3A1 ILE 551 HG23 -0.21 0.07 -0.14 -0.04 0.93 0.61 1cf3A1 ILE 551 HD13 -0.29 0.02 -0.06 -0.04 0.88 0.51 1cf3A1 PRO 552 HA -0.96 0.10 0.48 -0.51 4.44 3.54 1cf3A1 PRO 552 HB2 -0.02 0.10 0.04 -0.04 2.28 2.36 1cf3A1 PRO 552 HB3 0.01 0.03 0.07 -0.04 2.02 2.09 1cf3A1 PRO 552 HG2 -0.06 -0.03 0.02 -0.04 2.03 1.92 1cf3A1 PRO 552 HG3 -0.18 0.02 -0.02 -0.04 2.03 1.81 1cf3A1 PRO 552 HD2 -0.24 0.25 -0.20 -0.04 3.68 3.45 1cf3A1 PRO 552 HD3 -0.39 0.08 0.02 -0.04 3.65 3.33 1cf3A1 PRO 553 HA -0.39 0.14 0.55 -0.51 4.44 4.24 1cf3A1 PRO 553 HB2 -1.12 -0.03 0.03 -0.04 2.28 1.12 1cf3A1 PRO 553 HB3 -0.65 0.10 0.06 -0.04 2.02 1.49 1cf3A1 PRO 553 HG2 -1.22 -0.05 0.05 -0.04 2.03 0.77 1cf3A1 PRO 553 HG3 -1.07 0.16 0.16 -0.04 2.03 1.24 1cf3A1 PRO 553 HD2 -1.98 -0.01 0.24 -0.04 3.68 1.89 1cf3A1 PRO 553 HD3 -1.19 0.18 0.31 -0.04 3.65 2.91 1cf3A1 THR 554 H -0.17 0.11 -0.14 -0.55 8.28 7.53 1cf3A1 THR 554 HA 0.03 0.24 0.90 -0.75 4.39 4.80 1cf3A1 THR 554 HB 0.59 -0.05 0.07 -0.04 4.32 4.89 1cf3A1 THR 554 HG23 0.10 -0.01 -0.18 -0.04 1.22 1.09 1cf3A1 GLN 555 H 0.38 0.11 0.09 -0.55 8.47 8.51 1cf3A1 GLN 555 HA 0.20 0.11 0.52 -0.75 4.36 4.44 1cf3A1 GLN 555 HB2 0.23 -0.02 0.12 -0.04 2.15 2.44 1cf3A1 GLN 555 HB3 0.17 0.08 0.17 -0.04 2.02 2.40 1cf3A1 GLN 555 HG2 0.12 0.01 -0.07 -0.04 2.40 2.43 1cf3A1 GLN 555 HG3 0.12 0.01 -0.05 -0.04 2.39 2.44 1cf3A1 GLN 555 HE21 0.10 0.17 0.16 -0.04 6.97 7.35 1cf3A1 GLN 555 HE22 0.09 0.20 0.03 -0.04 7.69 7.97 1cf3A1 MET 556 H 0.15 0.33 0.21 -0.55 8.47 8.62 1cf3A1 MET 556 HA 0.06 0.16 0.80 -0.75 4.52 4.80 1cf3A1 MET 556 HB2 0.07 0.02 -0.18 -0.04 2.15 2.02 1cf3A1 MET 556 HB3 -0.00 -0.09 -0.25 -0.04 2.03 1.64 1cf3A1 MET 556 HG2 0.02 -0.04 -0.17 -0.04 2.63 2.40 1cf3A1 MET 556 HG3 0.29 0.16 -0.49 -0.04 2.56 2.47 1cf3A1 MET 556 HE3 0.49 0.02 -0.09 -0.04 2.10 2.48 1cf3A1 SER 557 H -0.10 0.03 0.06 -0.55 8.46 7.90 1cf3A1 SER 557 HA 0.10 0.20 0.32 -0.75 4.49 4.36 1cf3A1 SER 557 HB2 -0.10 -0.17 0.25 -0.04 3.95 3.89 1cf3A1 SER 557 HB3 0.06 0.05 0.13 -0.04 3.93 4.13 1cf3A1 SER 558 H 0.11 0.59 0.01 -0.55 8.46 8.63 1cf3A1 SER 558 HA 0.24 0.06 0.15 -0.75 4.49 4.18 1cf3A1 SER 558 HB2 0.01 -0.09 -0.31 -0.04 3.95 3.52 1cf3A1 SER 558 HB3 -0.12 0.30 -0.61 -0.04 3.93 3.46 1cf3A1 HIS 559 H 0.31 0.13 -0.02 -0.55 8.41 8.29 1cf3A1 HIS 559 HA 0.27 0.11 0.60 -0.75 4.63 4.85 1cf3A1 HIS 559 HB2 0.12 -0.06 0.03 -0.04 3.26 3.31 1cf3A1 HIS 559 HB3 0.15 0.01 0.05 -0.04 3.20 3.37 1cf3A1 HIS 559 HD2 0.33 0.00 -0.12 -0.04 6.97 7.14 1cf3A1 HIS 559 HE1 0.32 0.05 -0.07 -0.04 7.75 8.00 1cf3A1 VAL 560 H -0.21 0.16 0.14 -0.55 8.24 7.78 1cf3A1 VAL 560 HA -0.21 0.19 0.23 -0.75 4.13 3.59 1cf3A1 VAL 560 HB -1.25 -0.04 0.08 -0.04 2.12 0.86 1cf3A1 VAL 560 HG13 -0.44 0.05 -0.01 -0.04 0.97 0.53 1cf3A1 VAL 560 HG23 -0.79 -0.00 -0.02 -0.04 0.95 0.10 1cf3A1 MET 561 H -0.03 0.17 -0.14 -0.55 8.47 7.92 1cf3A1 MET 561 HA -0.12 -0.03 0.36 -0.75 4.52 3.97 1cf3A1 MET 561 HB2 0.28 0.11 0.06 -0.04 2.15 2.56 1cf3A1 MET 561 HB3 0.54 0.09 -0.08 -0.04 2.03 2.54 1cf3A1 MET 561 HG2 0.04 -0.08 0.03 -0.04 2.63 2.58 1cf3A1 MET 561 HG3 0.11 -0.03 0.03 -0.04 2.56 2.63 1cf3A1 MET 561 HE3 0.35 0.02 -0.09 -0.04 2.10 2.33 1cf3A1 THR 562 H -0.27 0.25 -0.14 -0.55 8.28 7.57 1cf3A1 THR 562 HA -0.48 0.09 0.41 -0.75 4.39 3.66 1cf3A1 THR 562 HB -0.44 0.02 -0.04 -0.04 4.32 3.82 1cf3A1 THR 562 HG23 -1.63 -0.02 -0.10 -0.04 1.22 -0.58 1cf3A1 VAL 563 H -0.06 0.21 -0.28 -0.55 8.24 7.56 1cf3A1 VAL 563 HA 0.07 0.11 0.50 -0.75 4.13 4.05 1cf3A1 VAL 563 HB 0.15 0.08 0.07 -0.04 2.12 2.37 1cf3A1 VAL 563 HG13 0.26 0.00 -0.13 -0.04 0.97 1.06 1cf3A1 VAL 563 HG23 -0.01 0.00 -0.07 -0.04 0.95 0.84 1cf3A1 PHE 564 H 0.18 0.57 0.03 -0.55 8.34 8.57 1cf3A1 PHE 564 HA 0.04 0.08 0.45 -0.75 4.62 4.43 1cf3A1 PHE 564 HB2 -0.11 0.02 0.06 -0.04 3.15 3.08 1cf3A1 PHE 564 HB3 -0.10 -0.11 -0.01 -0.04 3.06 2.80 1cf3A1 PHE 564 HD2 0.00 -0.11 -0.08 -0.04 7.28 7.05 1cf3A1 PHE 564 HE2 0.02 0.01 0.00 -0.04 7.38 7.37 1cf3A1 PHE 564 HZ -0.03 0.15 0.01 -0.04 7.32 7.40 1cf3A1 TYR 565 H 0.20 0.59 -0.17 -0.55 8.29 8.35 1cf3A1 TYR 565 HA 0.10 -0.01 0.39 -0.75 4.56 4.29 1cf3A1 TYR 565 HB2 0.28 0.15 0.10 -0.04 3.06 3.55 1cf3A1 TYR 565 HB3 0.32 0.05 -0.03 -0.04 2.98 3.27 1cf3A1 TYR 565 HD2 0.29 0.06 -0.05 -0.04 7.15 7.41 1cf3A1 TYR 565 HE2 0.39 -0.00 -0.04 -0.04 6.85 7.15 1cf3A1 ALA 566 H 0.22 0.29 -0.31 -0.55 8.40 8.06 1cf3A1 ALA 566 HA 0.16 0.10 0.18 -0.75 4.34 4.03 1cf3A1 ALA 566 HB3 0.10 0.04 0.06 -0.04 1.41 1.57 1cf3A1 MET 567 H 0.18 0.63 -0.13 -0.55 8.47 8.59 1cf3A1 MET 567 HA 0.31 -0.00 0.39 -0.75 4.52 4.47 1cf3A1 MET 567 HB2 0.30 0.02 0.06 -0.04 2.15 2.50 1cf3A1 MET 567 HB3 0.10 0.06 0.17 -0.04 2.03 2.33 1cf3A1 MET 567 HG2 -0.01 0.06 -0.23 -0.04 2.63 2.41 1cf3A1 MET 567 HG3 0.18 -0.01 -0.05 -0.04 2.56 2.64 1cf3A1 MET 567 HE3 -0.56 0.01 -0.20 -0.04 2.10 1.32 1cf3A1 ALA 568 H 0.03 0.50 -0.18 -0.55 8.40 8.20 1cf3A1 ALA 568 HA -0.05 0.04 0.45 -0.75 4.34 4.03 1cf3A1 ALA 568 HB3 -0.10 0.00 0.08 -0.04 1.41 1.36 1cf3A1 LEU 569 H -0.04 0.45 -0.18 -0.55 8.37 8.05 1cf3A1 LEU 569 HA -0.06 0.04 0.48 -0.75 4.35 4.05 1cf3A1 LEU 569 HB2 0.05 0.09 0.15 -0.04 1.64 1.89 1cf3A1 LEU 569 HB3 0.20 -0.02 0.01 -0.04 1.64 1.78 1cf3A1 LEU 569 HG 0.02 0.08 0.04 -0.04 1.64 1.75 1cf3A1 LEU 569 HD13 0.29 -0.02 -0.07 -0.04 0.93 1.09 1cf3A1 LEU 569 HD23 0.08 -0.00 -0.04 -0.04 0.89 0.89 1cf3A1 LYS 570 H -0.50 0.66 -0.07 -0.55 8.42 7.96 1cf3A1 LYS 570 HA -0.95 0.01 0.42 -0.75 4.32 3.04 1cf3A1 LYS 570 HB2 -1.48 -0.01 0.07 -0.04 1.87 0.40 1cf3A1 LYS 570 HB3 -0.54 0.08 0.12 -0.04 1.79 1.41 1cf3A1 LYS 570 HG2 -0.67 0.03 -0.19 -0.04 1.46 0.59 1cf3A1 LYS 570 HG3 -0.54 -0.04 0.02 -0.04 1.46 0.85 1cf3A1 LYS 570 HD2 -0.60 -0.04 -0.08 -0.04 1.69 0.94 1cf3A1 LYS 570 HD3 -1.63 -0.04 -0.08 -0.04 1.68 -0.10 1cf3A1 LYS 570 HE2 -1.23 0.10 -0.20 -0.04 2.99 1.62 1cf3A1 LYS 570 HE3 -2.47 0.04 -0.14 -0.04 2.99 0.38 1cf3A1 ILE 571 H -0.07 0.61 -0.11 -0.55 8.25 8.14 1cf3A1 ILE 571 HA 0.03 0.03 0.47 -0.75 4.18 3.95 1cf3A1 ILE 571 HB -0.00 0.06 0.11 -0.04 1.89 2.01 1cf3A1 ILE 571 HG12 0.18 -0.03 -0.14 -0.04 1.49 1.45 1cf3A1 ILE 571 HG13 0.35 0.01 -0.02 -0.04 1.21 1.51 1cf3A1 ILE 571 HG23 -0.01 -0.01 -0.18 -0.04 0.93 0.70 1cf3A1 ILE 571 HD13 0.02 -0.02 -0.08 -0.04 0.88 0.76 1cf3A1 SER 572 H -0.09 0.62 -0.19 -0.55 8.46 8.25 1cf3A1 SER 572 HA -0.10 -0.02 0.41 -0.75 4.49 4.03 1cf3A1 SER 572 HB2 -0.06 0.11 0.11 -0.04 3.95 4.06 1cf3A1 SER 572 HB3 -0.09 -0.04 -0.03 -0.04 3.93 3.74 1cf3A1 ASP 573 H -0.05 0.54 -0.19 -0.55 8.40 8.16 1cf3A1 ASP 573 HA 0.01 0.03 0.49 -0.75 4.63 4.40 1cf3A1 ASP 573 HB2 0.03 0.17 0.16 -0.04 2.71 3.02 1cf3A1 ASP 573 HB3 0.05 -0.06 -0.01 -0.04 2.70 2.64 1cf3A1 ALA 574 H -0.02 0.42 -0.21 -0.55 8.40 8.03 1cf3A1 ALA 574 HA 0.02 -0.02 0.41 -0.75 4.34 3.99 1cf3A1 ALA 574 HB3 0.03 0.04 0.12 -0.04 1.41 1.55 1cf3A1 ILE 575 H -0.02 0.55 -0.12 -0.55 8.25 8.10 1cf3A1 ILE 575 HA 0.04 -0.01 0.47 -0.75 4.18 3.92 1cf3A1 ILE 575 HB -0.13 0.15 0.12 -0.04 1.89 1.99 1cf3A1 ILE 575 HG12 -0.00 -0.05 -0.07 -0.04 1.49 1.33 1cf3A1 ILE 575 HG13 -0.03 0.17 0.01 -0.04 1.21 1.32 1cf3A1 ILE 575 HG23 -0.27 -0.02 -0.15 -0.04 0.93 0.45 1cf3A1 ILE 575 HD13 -0.11 -0.03 -0.15 -0.04 0.88 0.54 1cf3A1 LEU 576 H -0.03 0.55 -0.20 -0.55 8.37 8.14 1cf3A1 LEU 576 HA 0.01 0.01 0.34 -0.75 4.35 3.96 1cf3A1 LEU 576 HB2 0.00 0.12 0.18 -0.04 1.64 1.91 1cf3A1 LEU 576 HB3 0.02 -0.06 0.03 -0.04 1.64 1.59 1cf3A1 LEU 576 HG -0.09 0.18 0.02 -0.04 1.64 1.72 1cf3A1 LEU 576 HD13 -0.02 -0.01 -0.09 -0.04 0.93 0.77 1cf3A1 LEU 576 HD23 -0.14 -0.01 -0.00 -0.04 0.89 0.70 1cf3A1 GLU 577 H 0.04 0.47 -0.18 -0.55 8.60 8.38 1cf3A1 GLU 577 HA 0.06 0.02 0.43 -0.75 4.29 4.05 1cf3A1 GLU 577 HB2 0.04 0.13 0.16 -0.04 2.09 2.38 1cf3A1 GLU 577 HB3 0.04 -0.06 0.00 -0.04 1.99 1.94 1cf3A1 GLU 577 HG2 0.03 -0.04 0.01 -0.04 2.34 2.30 1cf3A1 GLU 577 HG3 0.03 0.17 0.04 -0.04 2.34 2.54 1cf3A1 ASP 578 H 0.07 0.53 -0.11 -0.55 8.40 8.35 1cf3A1 ASP 578 HA 0.07 -0.02 0.34 -0.75 4.63 4.26 1cf3A1 ASP 578 HB2 0.11 0.13 0.16 -0.04 2.71 3.07 1cf3A1 ASP 578 HB3 0.12 -0.02 0.01 -0.04 2.70 2.76 1cf3A1 TYR 579 H 0.20 0.53 -0.30 -0.55 8.29 8.17 1cf3A1 TYR 579 HA 0.01 0.03 0.32 -0.75 4.56 4.16 1cf3A1 TYR 579 HB2 0.04 -0.01 0.04 -0.04 3.06 3.08 1cf3A1 TYR 579 HB3 -0.00 0.22 0.12 -0.04 2.98 3.29 1cf3A1 TYR 579 HD2 -0.40 0.01 -0.08 -0.04 7.15 6.64 1cf3A1 TYR 579 HE2 -0.09 -0.03 -0.06 -0.04 6.85 6.62 1cf3A1 ALA 580 H 0.11 0.40 -0.24 -0.55 8.40 8.12 1cf3A1 ALA 580 HA -0.15 0.06 0.47 -0.75 4.34 3.97 1cf3A1 ALA 580 HB3 0.05 0.00 0.10 -0.04 1.41 1.52 1cf3A1 SER 581 H 0.02 0.35 -0.28 -0.55 8.46 8.01 1cf3A1 SER 581 HA 0.00 -0.00 0.49 -0.75 4.49 4.22 1cf3A1 SER 581 HB2 0.04 0.15 0.10 -0.04 3.95 4.20 1cf3A1 SER 581 HB3 0.03 -0.09 -0.01 -0.04 3.93 3.82 1cf3A1 MET 582 H -0.01 0.39 -0.42 -0.55 8.47 7.88 1cf3A1 MET 582 HA 0.01 0.09 0.85 -0.75 4.52 4.71 1cf3A1 MET 582 HB2 0.14 0.07 0.16 -0.04 2.15 2.48 1cf3A1 MET 582 HB3 0.05 -0.03 0.18 -0.04 2.03 2.18 1cf3A1 MET 582 HG2 0.08 0.22 -0.02 -0.04 2.63 2.87 1cf3A1 MET 582 HG3 0.09 -0.05 0.00 -0.04 2.56 2.56 1cf3A1 MET 582 HE3 0.02 -0.02 0.01 -0.04 2.10 2.07 1cf3A1 GLN 583 H -0.04 0.20 -0.53 -0.55 8.47 7.56 1cf3A1 GLN 583 HA -0.06 0.24 0.71 -0.75 4.36 4.50 1cf3A1 GLN 583 HB2 -0.06 0.07 0.03 -0.04 2.15 2.16 1cf3A1 GLN 583 HB3 -0.05 -0.07 0.05 -0.04 2.02 1.90 1cf3A1 GLN 583 HG2 -0.22 0.15 -0.16 -0.04 2.40 2.12 1cf3A1 GLN 583 HG3 -0.15 -0.08 0.01 -0.04 2.39 2.13 1cf3A1 GLN 583 HE21 -0.24 -0.10 -0.02 -0.04 6.97 6.56 1cf3A1 GLN 583 HE22 -0.45 0.28 -0.17 -0.04 7.69 7.31