============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 73 rings ring int. center anis. iso. PHE 7 1.000 46.460 -3.763 28.213 -99.200 -91.000 HIS 10 0.900 49.584 3.116 27.810 -99.200 -91.000 TYR 17 0.840 41.505 7.494 31.178 -99.200 -91.000 HIS 24 0.900 31.494 5.397 27.522 -99.200 -91.000 PHE 30 1.000 33.247 14.891 35.181 -99.200 -91.000 TYR 31 0.840 39.546 5.875 35.601 -99.200 -91.000 PHE 36 1.000 40.399 15.553 44.340 -99.200 -91.000 TYR 37 0.840 33.091 11.529 39.958 -99.200 -91.000 PHE 40 1.000 44.023 10.679 34.365 -99.200 -91.000 TYR 41 0.840 46.654 10.130 28.119 -99.200 -91.000 TYR 73 0.840 32.614 12.094 47.253 -99.200 -91.000 HIS 74 0.900 33.086 17.800 48.208 -99.200 -91.000 TYR 79 0.840 33.515 21.882 38.881 -99.200 -91.000 TRP 137 1.040 14.878 5.877 9.453 -99.200 -91.000 TRP6 137 1.020 16.411 4.530 8.276 -99.200 -91.000 PHE 143 1.000 12.442 13.415 6.215 -99.200 -91.000 TYR 145 0.840 11.374 13.860 15.351 -99.200 -91.000 PHE 155 1.000 9.983 5.507 22.907 -99.200 -91.000 TYR 180 0.840 23.287 13.158 11.974 -99.200 -91.000 PHE 184 1.000 18.251 13.259 8.154 -99.200 -91.000 TRP 202 1.040 25.755 -0.593 14.226 -99.200 -91.000 TRP6 202 1.020 25.124 -0.770 16.502 -99.200 -91.000 PHE 204 1.000 18.765 5.717 13.310 -99.200 -91.000 PHE 217 1.000 7.223 0.152 24.728 -99.200 -91.000 PHE 225 1.000 2.543 -0.813 23.628 -99.200 -91.000 TYR 243 0.840 22.320 8.878 23.182 -99.200 -91.000 HIS 254 0.900 11.193 6.586 33.276 -99.200 -91.000 TRP 310 1.040 -2.818 19.666 25.845 -99.200 -91.000 TRP6 310 1.020 -4.796 19.880 27.108 -99.200 -91.000 HIS 312 0.900 4.749 25.048 19.769 -99.200 -91.000 PHE 334 1.000 -17.451 25.001 41.371 -99.200 -91.000 HIS 370 0.900 3.010 20.240 50.916 -99.200 -91.000 PHE 372 1.000 1.463 10.278 47.323 -99.200 -91.000 PHE 400 1.000 -1.896 7.583 44.073 -99.200 -91.000 TYR 429 0.840 10.079 3.163 57.690 -99.200 -91.000 TRP 436 1.040 22.474 -0.199 64.721 -99.200 -91.000 TRP6 436 1.020 24.361 -0.988 65.895 -99.200 -91.000 TYR 446 0.840 31.796 9.299 77.842 -99.200 -91.000 PHE 467 1.000 35.438 13.566 65.778 -99.200 -91.000 HIS 471 0.900 45.545 14.768 64.406 -99.200 -91.000 TYR 473 0.840 34.792 11.649 69.976 -99.200 -91.000 TYR 474 0.840 40.443 17.590 70.910 -99.200 -91.000 HIS 483 0.900 54.113 22.787 83.752 -99.200 -91.000 TYR 489 0.840 44.794 13.361 80.920 -99.200 -91.000 TYR 501 0.840 48.292 15.347 76.967 -99.200 -91.000 TYR 509 0.840 31.738 8.743 73.291 -99.200 -91.000 TYR 528 0.840 15.976 7.961 50.297 -99.200 -91.000 PHE 532 1.000 14.345 5.486 45.791 -99.200 -91.000 HIS 538 0.900 1.393 0.891 45.365 -99.200 -91.000 TYR 563 0.840 -14.837 35.798 35.527 -99.200 -91.000 TYR 567 0.840 -9.700 34.409 25.593 -99.200 -91.000 PHE 572 1.000 -15.131 22.405 17.625 -99.200 -91.000 HIS 585 0.900 -2.612 38.613 17.496 -99.200 -91.000 PHE 596 1.000 -7.220 43.580 18.092 -99.200 -91.000 TYR 623 0.840 -9.666 40.078 9.000 -99.200 -91.000 TYR 635 0.840 -10.404 22.692 15.038 -99.200 -91.000 TYR 639 0.840 -15.290 28.317 27.018 -99.200 -91.000 PHE 654 1.000 -0.162 24.391 3.771 -99.200 -91.000 PHE 664 1.000 10.178 36.195 -7.066 -99.200 -91.000 HIS 676 0.900 3.991 21.104 -6.050 -99.200 -91.000 TYR 681 0.840 -12.008 18.864 4.788 -99.200 -91.000 TYR 696 0.840 2.483 45.750 -14.537 -99.200 -91.000 TRP 703 1.040 -4.721 37.041 -12.099 -99.200 -91.000 TRP6 703 1.020 -5.627 39.217 -12.111 -99.200 -91.000 PHE 719 1.000 -2.752 36.329 -2.531 -99.200 -91.000 HIS 722 0.900 2.979 45.072 -2.309 -99.200 -91.000 TYR 723 0.840 1.975 42.968 -6.507 -99.200 -91.000 PHE 724 1.000 -7.114 49.389 -6.035 -99.200 -91.000 HIS 740 0.900 -12.171 48.522 2.417 -99.200 -91.000 HIS 746 0.900 -7.724 62.746 9.352 -99.200 -91.000 PHE 752 1.000 -2.320 54.114 9.132 -99.200 -91.000 HIS 754 0.900 -5.550 50.026 13.776 -99.200 -91.000 TYR 765 0.840 -6.063 54.771 1.715 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ng9A1 MET 1 HA 0.01 -0.13 0.16 -0.75 4.52 3.80 1ng9A1 MET 1 HB2 0.01 -0.06 0.05 -0.04 2.15 2.11 1ng9A1 MET 1 HB3 0.01 0.00 0.03 -0.04 2.03 2.04 1ng9A1 MET 1 HG2 0.01 0.05 -0.46 -0.04 2.63 2.19 1ng9A1 MET 1 HG3 0.01 -0.04 -0.06 -0.04 2.56 2.43 1ng9A1 MET 1 HE3 0.02 0.01 -0.11 -0.04 2.10 1.97 1ng9A1 SER 2 H 0.01 -0.02 0.01 -0.55 8.46 7.91 1ng9A1 SER 2 HA 0.01 -0.11 0.34 -0.75 4.49 3.97 1ng9A1 SER 2 HB2 0.01 0.22 -0.18 -0.04 3.95 3.96 1ng9A1 SER 2 HB3 0.01 -0.06 0.04 -0.04 3.93 3.88 1ng9A1 ALA 3 H 0.00 0.02 0.08 -0.55 8.40 7.96 1ng9A1 ALA 3 HA -0.00 -0.03 0.33 -0.75 4.34 3.89 1ng9A1 ALA 3 HB3 -0.00 0.05 -0.02 -0.04 1.41 1.39 1ng9A1 ILE 4 H 0.01 0.01 -0.04 -0.55 8.25 7.68 1ng9A1 ILE 4 HA 0.02 0.11 0.57 -0.75 4.18 4.12 1ng9A1 ILE 4 HB 0.01 -0.03 0.14 -0.04 1.89 1.97 1ng9A1 ILE 4 HG12 0.02 0.04 0.01 -0.04 1.49 1.51 1ng9A1 ILE 4 HG13 0.01 0.02 -0.04 -0.04 1.21 1.16 1ng9A1 ILE 4 HG23 0.03 -0.02 -0.11 -0.04 0.93 0.79 1ng9A1 ILE 4 HD13 0.01 -0.00 0.00 -0.04 0.88 0.85 1ng9A1 GLU 5 H 0.05 0.19 0.02 -0.55 8.60 8.32 1ng9A1 GLU 5 HA 0.08 0.15 0.52 -0.75 4.29 4.29 1ng9A1 GLU 5 HB2 0.08 0.11 0.11 -0.04 2.09 2.35 1ng9A1 GLU 5 HB3 0.31 -0.04 0.16 -0.04 1.99 2.38 1ng9A1 GLU 5 HG2 -0.11 -0.01 -0.09 -0.04 2.34 2.08 1ng9A1 GLU 5 HG3 0.00 0.04 -0.20 -0.04 2.34 2.14 1ng9A1 ASN 6 H 0.08 0.13 -0.37 -0.55 8.53 7.82 1ng9A1 ASN 6 HA 0.09 0.15 0.54 -0.75 4.76 4.79 1ng9A1 ASN 6 HB2 0.09 -0.06 0.12 -0.04 2.88 2.99 1ng9A1 ASN 6 HB3 0.06 0.05 0.04 -0.04 2.79 2.90 1ng9A1 ASN 6 HD21 0.06 0.08 -0.06 -0.04 7.03 7.06 1ng9A1 ASN 6 HD22 0.08 -0.01 -0.02 -0.04 7.74 7.75 1ng9A1 PHE 7 H 0.21 0.14 0.13 -0.55 8.34 8.26 1ng9A1 PHE 7 HA -0.03 0.14 0.30 -0.75 4.62 4.27 1ng9A1 PHE 7 HB2 -0.02 0.02 0.14 -0.04 3.15 3.25 1ng9A1 PHE 7 HB3 0.00 -0.04 0.07 -0.04 3.06 3.06 1ng9A1 PHE 7 HD2 -0.03 0.00 -0.08 -0.04 7.28 7.14 1ng9A1 PHE 7 HE2 -0.01 0.04 -0.04 -0.04 7.38 7.33 1ng9A1 PHE 7 HZ 0.00 0.01 -0.06 -0.04 7.32 7.23 1ng9A1 ASP 8 H 0.17 0.01 -0.17 -0.55 8.40 7.87 1ng9A1 ASP 8 HA 0.08 0.14 0.35 -0.75 4.63 4.45 1ng9A1 ASP 8 HB2 0.08 -0.05 0.01 -0.04 2.71 2.70 1ng9A1 ASP 8 HB3 0.06 0.05 -0.00 -0.04 2.70 2.76 1ng9A1 ALA 9 H 0.08 0.09 -0.38 -0.55 8.40 7.64 1ng9A1 ALA 9 HA -0.01 0.07 0.53 -0.75 4.34 4.17 1ng9A1 ALA 9 HB3 -0.00 -0.01 0.05 -0.04 1.41 1.42 1ng9A1 HIS 10 H 0.06 0.28 -0.52 -0.55 8.41 7.70 1ng9A1 HIS 10 HA -0.08 0.08 0.75 -0.75 4.63 4.63 1ng9A1 HIS 10 HB2 -0.27 0.21 0.05 -0.04 3.26 3.21 1ng9A1 HIS 10 HB3 -0.19 -0.10 -0.06 -0.04 3.20 2.81 1ng9A1 HIS 10 HD2 -0.02 -0.12 -0.06 -0.04 6.97 6.73 1ng9A1 HIS 10 HE1 -0.02 0.02 -0.03 -0.04 7.75 7.68 1ng9A1 THR 11 H -0.05 0.06 0.16 -0.55 8.28 7.90 1ng9A1 THR 11 HA -0.05 0.23 0.58 -0.75 4.39 4.39 1ng9A1 THR 11 HB -0.05 0.03 0.18 -0.04 4.32 4.44 1ng9A1 THR 11 HG23 -0.08 0.04 0.08 -0.04 1.22 1.23 1ng9A1 PRO 12 HA -0.04 0.11 0.51 -0.51 4.44 4.51 1ng9A1 PRO 12 HB2 0.00 0.02 0.07 -0.04 2.28 2.33 1ng9A1 PRO 12 HB3 0.01 0.06 0.13 -0.04 2.02 2.18 1ng9A1 PRO 12 HG2 -0.01 0.07 0.11 -0.04 2.03 2.17 1ng9A1 PRO 12 HG3 -0.00 0.09 0.12 -0.04 2.03 2.19 1ng9A1 PRO 12 HD2 -0.03 0.07 0.25 -0.04 3.68 3.93 1ng9A1 PRO 12 HD3 -0.03 0.24 0.23 -0.04 3.65 4.04 1ng9A1 MET 13 H -0.02 0.10 -0.20 -0.55 8.47 7.81 1ng9A1 MET 13 HA 0.06 0.13 0.40 -0.75 4.52 4.36 1ng9A1 MET 13 HB2 -0.00 0.03 0.08 -0.04 2.15 2.21 1ng9A1 MET 13 HB3 -0.07 -0.06 0.07 -0.04 2.03 1.92 1ng9A1 MET 13 HG2 -0.07 0.01 -0.25 -0.04 2.63 2.27 1ng9A1 MET 13 HG3 0.08 0.04 -0.02 -0.04 2.56 2.62 1ng9A1 MET 13 HE3 -0.16 0.01 -0.09 -0.04 2.10 1.83 1ng9A1 MET 14 H -0.05 0.06 -0.17 -0.55 8.47 7.76 1ng9A1 MET 14 HA -0.03 0.09 0.45 -0.75 4.52 4.27 1ng9A1 MET 14 HB2 0.07 -0.04 0.12 -0.04 2.15 2.26 1ng9A1 MET 14 HB3 0.25 0.06 0.02 -0.04 2.03 2.31 1ng9A1 MET 14 HG2 -0.16 -0.08 0.03 -0.04 2.63 2.38 1ng9A1 MET 14 HG3 -0.06 0.08 0.04 -0.04 2.56 2.58 1ng9A1 MET 14 HE3 -0.77 -0.02 -0.17 -0.04 2.10 1.10 1ng9A1 GLN 15 H -0.09 0.59 -0.18 -0.55 8.47 8.24 1ng9A1 GLN 15 HA -0.35 0.04 0.45 -0.75 4.36 3.74 1ng9A1 GLN 15 HB2 -0.17 0.07 0.13 -0.04 2.15 2.14 1ng9A1 GLN 15 HB3 -0.31 -0.03 -0.04 -0.04 2.02 1.60 1ng9A1 GLN 15 HG2 -1.82 -0.05 0.01 -0.04 2.40 0.51 1ng9A1 GLN 15 HG3 -0.43 0.04 -0.15 -0.04 2.39 1.82 1ng9A1 GLN 15 HE21 -0.09 -0.11 -0.07 -0.04 6.97 6.65 1ng9A1 GLN 15 HE22 -0.24 0.36 -0.09 -0.04 7.69 7.68 1ng9A1 GLN 16 H 0.03 0.44 -0.17 -0.55 8.47 8.22 1ng9A1 GLN 16 HA 0.11 0.01 0.39 -0.75 4.36 4.12 1ng9A1 GLN 16 HB2 0.11 0.01 0.11 -0.04 2.15 2.33 1ng9A1 GLN 16 HB3 0.16 0.13 0.11 -0.04 2.02 2.38 1ng9A1 GLN 16 HG2 0.23 -0.00 -0.08 -0.04 2.40 2.50 1ng9A1 GLN 16 HG3 0.13 -0.05 0.02 -0.04 2.39 2.45 1ng9A1 GLN 16 HE21 0.08 0.74 -0.16 -0.04 6.97 7.58 1ng9A1 GLN 16 HE22 0.09 -0.20 -0.05 -0.04 7.69 7.48 1ng9A1 TYR 17 H 0.11 0.26 -0.34 -0.55 8.29 7.78 1ng9A1 TYR 17 HA -0.07 0.07 0.39 -0.75 4.56 4.20 1ng9A1 TYR 17 HB2 -0.55 0.04 0.05 -0.04 3.06 2.56 1ng9A1 TYR 17 HB3 -0.19 -0.02 0.18 -0.04 2.98 2.90 1ng9A1 TYR 17 HD2 -0.65 0.02 -0.09 -0.04 7.15 6.39 1ng9A1 TYR 17 HE2 0.22 0.04 -0.07 -0.04 6.85 7.00 1ng9A1 LEU 18 H 0.05 0.72 0.02 -0.55 8.37 8.61 1ng9A1 LEU 18 HA -0.21 0.02 0.40 -0.75 4.35 3.80 1ng9A1 LEU 18 HB2 -0.09 0.08 0.11 -0.04 1.64 1.70 1ng9A1 LEU 18 HB3 -0.09 -0.03 0.04 -0.04 1.64 1.52 1ng9A1 LEU 18 HG 0.16 0.04 0.10 -0.04 1.64 1.90 1ng9A1 LEU 18 HD13 -0.31 -0.01 -0.04 -0.04 0.93 0.53 1ng9A1 LEU 18 HD23 0.02 -0.01 -0.01 -0.04 0.89 0.85 1ng9A1 ARG 19 H 0.01 0.46 -0.28 -0.55 8.46 8.10 1ng9A1 ARG 19 HA 0.00 0.00 0.45 -0.75 4.34 4.04 1ng9A1 ARG 19 HB2 0.08 0.14 0.14 -0.04 1.90 2.21 1ng9A1 ARG 19 HB3 0.05 -0.00 -0.07 -0.04 1.80 1.73 1ng9A1 ARG 19 HG2 0.05 -0.05 0.04 -0.04 1.67 1.67 1ng9A1 ARG 19 HG3 0.20 0.04 0.03 -0.04 1.67 1.90 1ng9A1 ARG 19 HD2 0.13 -0.06 -0.04 -0.04 3.22 3.21 1ng9A1 ARG 19 HD3 0.15 0.00 -0.06 -0.04 3.22 3.26 1ng9A1 LEU 20 H -0.01 0.44 -0.17 -0.55 8.37 8.08 1ng9A1 LEU 20 HA 0.00 0.06 0.60 -0.75 4.35 4.26 1ng9A1 LEU 20 HB2 0.11 0.09 0.12 -0.04 1.64 1.92 1ng9A1 LEU 20 HB3 0.15 -0.04 0.01 -0.04 1.64 1.71 1ng9A1 LEU 20 HG 0.11 0.02 0.08 -0.04 1.64 1.81 1ng9A1 LEU 20 HD13 0.30 -0.00 -0.05 -0.04 0.93 1.13 1ng9A1 LEU 20 HD23 0.09 0.00 0.06 -0.04 0.89 0.99 1ng9A1 LYS 21 H -0.24 0.50 -0.11 -0.55 8.42 8.02 1ng9A1 LYS 21 HA -0.04 0.10 0.44 -0.75 4.32 4.07 1ng9A1 LYS 21 HB2 -0.65 -0.02 0.06 -0.04 1.87 1.21 1ng9A1 LYS 21 HB3 -0.32 0.02 0.12 -0.04 1.79 1.56 1ng9A1 LYS 21 HG2 -0.03 -0.11 -0.02 -0.04 1.46 1.27 1ng9A1 LYS 21 HG3 -0.04 0.02 -0.15 -0.04 1.46 1.24 1ng9A1 LYS 21 HD2 0.03 0.09 0.07 -0.04 1.69 1.84 1ng9A1 LYS 21 HD3 0.07 -0.13 0.04 -0.04 1.68 1.63 1ng9A1 LYS 21 HE2 0.09 -0.15 0.03 -0.04 2.99 2.91 1ng9A1 LYS 21 HE3 0.05 0.12 0.04 -0.04 2.99 3.15 1ng9A1 ALA 22 H -0.09 0.38 -0.36 -0.55 8.40 7.78 1ng9A1 ALA 22 HA -0.05 0.02 0.45 -0.75 4.34 4.01 1ng9A1 ALA 22 HB3 -0.05 0.03 0.09 -0.04 1.41 1.44 1ng9A1 GLN 23 H -0.13 0.25 -0.44 -0.55 8.47 7.60 1ng9A1 GLN 23 HA -0.17 0.04 0.64 -0.75 4.36 4.10 1ng9A1 GLN 23 HB2 -0.34 0.19 0.11 -0.04 2.15 2.06 1ng9A1 GLN 23 HB3 -0.44 -0.04 0.11 -0.04 2.02 1.61 1ng9A1 GLN 23 HG2 -0.11 -0.06 0.03 -0.04 2.40 2.22 1ng9A1 GLN 23 HG3 -0.09 0.19 0.09 -0.04 2.39 2.54 1ng9A1 GLN 23 HE21 -0.03 -0.04 0.02 -0.04 6.97 6.88 1ng9A1 GLN 23 HE22 -0.05 -0.04 0.01 -0.04 7.69 7.58 1ng9A1 HIS 24 H -0.09 0.26 -0.69 -0.55 8.41 7.34 1ng9A1 HIS 24 HA 0.00 0.08 0.60 -0.75 4.63 4.56 1ng9A1 HIS 24 HB2 -0.00 0.04 0.12 -0.04 3.26 3.37 1ng9A1 HIS 24 HB3 -0.00 -0.08 0.07 -0.04 3.20 3.14 1ng9A1 HIS 24 HD2 0.01 0.07 -0.08 -0.04 6.97 6.93 1ng9A1 HIS 24 HE1 -0.03 0.02 -0.08 -0.04 7.75 7.61 1ng9A1 PRO 25 HA 0.02 0.16 0.25 -0.51 4.44 4.36 1ng9A1 PRO 25 HB2 0.02 -0.04 -0.01 -0.04 2.28 2.21 1ng9A1 PRO 25 HB3 0.00 0.02 0.12 -0.04 2.02 2.12 1ng9A1 PRO 25 HG2 0.03 -0.05 0.05 -0.04 2.03 2.02 1ng9A1 PRO 25 HG3 0.01 0.03 0.05 -0.04 2.03 2.08 1ng9A1 PRO 25 HD2 0.03 0.09 -0.07 -0.04 3.68 3.69 1ng9A1 PRO 25 HD3 -0.02 0.35 -0.25 -0.04 3.65 3.69 1ng9A1 GLU 26 H 0.06 0.09 -0.22 -0.55 8.60 7.98 1ng9A1 GLU 26 HA 0.04 0.17 0.71 -0.75 4.29 4.46 1ng9A1 GLU 26 HB2 0.04 0.02 0.02 -0.04 2.09 2.13 1ng9A1 GLU 26 HB3 0.04 -0.00 0.16 -0.04 1.99 2.14 1ng9A1 GLU 26 HG2 0.03 -0.05 -0.09 -0.04 2.34 2.19 1ng9A1 GLU 26 HG3 0.03 -0.00 -0.01 -0.04 2.34 2.32 1ng9A1 ILE 27 H 0.06 0.43 -0.19 -0.55 8.25 8.01 1ng9A1 ILE 27 HA 0.03 0.14 0.81 -0.75 4.18 4.41 1ng9A1 ILE 27 HB -0.02 0.08 -0.04 -0.04 1.89 1.87 1ng9A1 ILE 27 HG12 0.06 -0.06 -0.09 -0.04 1.49 1.36 1ng9A1 ILE 27 HG13 -0.03 0.15 -0.30 -0.04 1.21 0.99 1ng9A1 ILE 27 HG23 0.03 -0.02 -0.23 -0.04 0.93 0.67 1ng9A1 ILE 27 HD13 -0.09 -0.02 -0.21 -0.04 0.88 0.52 1ng9A1 LEU 28 H -0.00 0.23 0.16 -0.55 8.37 8.21 1ng9A1 LEU 28 HA 0.08 -0.02 0.34 -0.75 4.35 4.00 1ng9A1 LEU 28 HB2 -0.06 0.06 0.11 -0.04 1.64 1.70 1ng9A1 LEU 28 HB3 0.09 -0.04 -0.03 -0.04 1.64 1.61 1ng9A1 LEU 28 HG 0.02 0.04 0.10 -0.04 1.64 1.75 1ng9A1 LEU 28 HD13 0.04 0.01 -0.05 -0.04 0.93 0.89 1ng9A1 LEU 28 HD23 0.08 -0.01 0.02 -0.04 0.89 0.93 1ng9A1 LEU 29 H 0.17 0.10 0.14 -0.55 8.37 8.23 1ng9A1 LEU 29 HA 0.08 0.23 0.95 -0.75 4.35 4.86 1ng9A1 LEU 29 HB2 0.12 0.14 -0.01 -0.04 1.64 1.85 1ng9A1 LEU 29 HB3 0.24 -0.13 0.16 -0.04 1.64 1.87 1ng9A1 LEU 29 HG 0.40 -0.05 -0.30 -0.04 1.64 1.65 1ng9A1 LEU 29 HD13 0.16 0.06 -0.07 -0.04 0.93 1.04 1ng9A1 LEU 29 HD23 0.03 -0.01 -0.17 -0.04 0.89 0.71 1ng9A1 PHE 30 H 0.16 0.45 0.13 -0.55 8.34 8.52 1ng9A1 PHE 30 HA 0.10 0.04 0.58 -0.75 4.62 4.58 1ng9A1 PHE 30 HB2 -0.16 0.12 0.19 -0.04 3.15 3.26 1ng9A1 PHE 30 HB3 -0.24 -0.06 -0.01 -0.04 3.06 2.70 1ng9A1 PHE 30 HD2 -0.28 -0.02 -0.19 -0.04 7.28 6.75 1ng9A1 PHE 30 HE2 -0.06 -0.01 -0.14 -0.04 7.38 7.13 1ng9A1 PHE 30 HZ -0.02 0.03 -0.18 -0.04 7.32 7.10 1ng9A1 TYR 31 H 0.34 0.23 0.18 -0.55 8.29 8.49 1ng9A1 TYR 31 HA 0.27 0.13 0.86 -0.75 4.56 5.07 1ng9A1 TYR 31 HB2 0.42 0.05 -0.12 -0.04 3.06 3.37 1ng9A1 TYR 31 HB3 0.24 -0.00 0.13 -0.04 2.98 3.31 1ng9A1 TYR 31 HD2 0.29 -0.01 -0.18 -0.04 7.15 7.20 1ng9A1 TYR 31 HE2 0.18 -0.01 -0.10 -0.04 6.85 6.87 1ng9A1 ARG 32 H -0.07 0.28 0.07 -0.55 8.46 8.18 1ng9A1 ARG 32 HA -0.07 0.16 0.49 -0.75 4.34 4.17 1ng9A1 ARG 32 HB2 0.02 0.29 0.27 -0.04 1.90 2.44 1ng9A1 ARG 32 HB3 -0.12 -0.09 0.08 -0.04 1.80 1.62 1ng9A1 ARG 32 HG2 -0.14 -0.14 0.09 -0.04 1.67 1.44 1ng9A1 ARG 32 HG3 -0.15 -0.03 -0.10 -0.04 1.67 1.35 1ng9A1 ARG 32 HD2 -0.55 0.16 -0.08 -0.04 3.22 2.71 1ng9A1 ARG 32 HD3 -0.56 -0.02 0.01 -0.04 3.22 2.60 1ng9A1 MET 33 H 0.01 0.66 0.29 -0.55 8.47 8.88 1ng9A1 MET 33 HA 0.02 0.08 0.65 -0.75 4.52 4.52 1ng9A1 MET 33 HB2 0.09 -0.01 0.13 -0.04 2.15 2.32 1ng9A1 MET 33 HB3 0.07 -0.06 0.04 -0.04 2.03 2.04 1ng9A1 MET 33 HG2 0.31 0.11 -0.49 -0.04 2.63 2.52 1ng9A1 MET 33 HG3 0.28 -0.03 -0.09 -0.04 2.56 2.68 1ng9A1 MET 33 HE3 0.08 -0.02 -0.03 -0.04 2.10 2.09 1ng9A1 GLY 34 H -0.03 0.16 0.03 -0.55 8.43 8.05 1ng9A1 GLY 34 HA2 -0.05 0.06 0.36 -0.51 4.01 3.86 1ng9A1 GLY 34 HA3 0.02 0.01 0.51 -0.51 4.01 4.04 1ng9A1 ASP 35 H 0.10 0.16 0.20 -0.55 8.40 8.32 1ng9A1 ASP 35 HA -0.15 0.13 0.50 -0.75 4.63 4.36 1ng9A1 ASP 35 HB2 0.09 0.02 0.17 -0.04 2.71 2.95 1ng9A1 ASP 35 HB3 0.00 -0.04 0.25 -0.04 2.70 2.87 1ng9A1 PHE 36 H 0.06 0.41 -0.68 -0.55 8.34 7.58 1ng9A1 PHE 36 HA -0.07 0.10 0.91 -0.75 4.62 4.80 1ng9A1 PHE 36 HB2 -0.05 0.13 -0.02 -0.04 3.15 3.17 1ng9A1 PHE 36 HB3 -0.08 0.05 -0.22 -0.04 3.06 2.77 1ng9A1 PHE 36 HD2 -0.05 -0.04 -0.36 -0.04 7.28 6.78 1ng9A1 PHE 36 HE2 -0.02 0.01 -0.12 -0.04 7.38 7.20 1ng9A1 PHE 36 HZ -0.01 -0.01 -0.06 -0.04 7.32 7.21 1ng9A1 TYR 37 H 0.02 0.55 0.20 -0.55 8.29 8.51 1ng9A1 TYR 37 HA 0.02 0.21 0.61 -0.75 4.56 4.65 1ng9A1 TYR 37 HB2 -0.38 -0.01 0.11 -0.04 3.06 2.73 1ng9A1 TYR 37 HB3 -0.27 -0.04 -0.03 -0.04 2.98 2.59 1ng9A1 TYR 37 HD2 0.03 -0.00 -0.17 -0.04 7.15 6.97 1ng9A1 TYR 37 HE2 0.11 0.13 0.00 -0.04 6.85 7.04 1ng9A1 GLU 38 H 0.15 0.64 0.26 -0.55 8.60 9.10 1ng9A1 GLU 38 HA -0.19 0.23 1.12 -0.75 4.29 4.70 1ng9A1 GLU 38 HB2 0.04 0.08 0.07 -0.04 2.09 2.25 1ng9A1 GLU 38 HB3 -0.56 0.03 -0.01 -0.04 1.99 1.41 1ng9A1 GLU 38 HG2 -0.22 0.06 -0.06 -0.04 2.34 2.08 1ng9A1 GLU 38 HG3 -0.06 -0.08 -0.32 -0.04 2.34 1.84 1ng9A1 LEU 39 H -0.40 0.59 0.34 -0.55 8.37 8.35 1ng9A1 LEU 39 HA -0.10 0.30 0.91 -0.75 4.35 4.70 1ng9A1 LEU 39 HB2 -0.12 -0.05 -0.15 -0.04 1.64 1.27 1ng9A1 LEU 39 HB3 0.01 -0.12 -0.20 -0.04 1.64 1.30 1ng9A1 LEU 39 HG 0.12 0.19 -0.26 -0.04 1.64 1.65 1ng9A1 LEU 39 HD13 -0.13 -0.01 -0.26 -0.04 0.93 0.50 1ng9A1 LEU 39 HD23 0.25 -0.01 -0.18 -0.04 0.89 0.91 1ng9A1 PHE 40 H 0.11 0.22 0.16 -0.55 8.34 8.28 1ng9A1 PHE 40 HA -0.18 0.39 0.96 -0.75 4.62 5.04 1ng9A1 PHE 40 HB2 -0.41 -0.01 -0.02 -0.04 3.15 2.67 1ng9A1 PHE 40 HB3 -0.60 0.01 0.07 -0.04 3.06 2.49 1ng9A1 PHE 40 HD2 -0.81 0.15 -0.03 -0.04 7.28 6.54 1ng9A1 PHE 40 HE2 -0.27 -0.01 -0.10 -0.04 7.38 6.96 1ng9A1 PHE 40 HZ -0.14 -0.03 -0.09 -0.04 7.32 7.01 1ng9A1 TYR 41 H -0.15 0.47 0.16 -0.55 8.29 8.21 1ng9A1 TYR 41 HA 0.08 0.12 0.39 -0.75 4.56 4.39 1ng9A1 TYR 41 HB2 0.15 0.08 0.04 -0.04 3.06 3.28 1ng9A1 TYR 41 HB3 0.09 0.04 0.22 -0.04 2.98 3.28 1ng9A1 TYR 41 HD2 0.15 0.02 -0.06 -0.04 7.15 7.22 1ng9A1 TYR 41 HE2 0.03 0.04 -0.01 -0.04 6.85 6.87 1ng9A1 ASP 42 H 0.25 0.21 0.25 -0.55 8.40 8.56 1ng9A1 ASP 42 HA 0.10 0.07 0.43 -0.75 4.63 4.47 1ng9A1 ASP 42 HB2 0.11 0.04 0.18 -0.04 2.71 3.00 1ng9A1 ASP 42 HB3 0.09 0.07 -0.03 -0.04 2.70 2.79 1ng9A1 ASP 43 H 0.18 0.28 0.02 -0.55 8.40 8.32 1ng9A1 ASP 43 HA 0.10 0.08 0.44 -0.75 4.63 4.50 1ng9A1 ASP 43 HB2 0.20 0.21 0.19 -0.04 2.71 3.27 1ng9A1 ASP 43 HB3 0.13 -0.03 -0.03 -0.04 2.70 2.74 1ng9A1 ALA 44 H 0.07 0.27 -0.82 -0.55 8.40 7.37 1ng9A1 ALA 44 HA -0.04 0.03 0.16 -0.75 4.34 3.74 1ng9A1 ALA 44 HB3 -0.07 0.08 -0.51 -0.04 1.41 0.87 1ng9A1 LYS 45 H 0.05 0.29 -0.32 -0.55 8.42 7.88 1ng9A1 LYS 45 HA 0.01 0.07 0.39 -0.75 4.32 4.03 1ng9A1 LYS 45 HB2 0.05 0.07 0.11 -0.04 1.87 2.06 1ng9A1 LYS 45 HB3 0.03 -0.01 0.02 -0.04 1.79 1.79 1ng9A1 LYS 45 HG2 0.03 -0.04 -0.03 -0.04 1.46 1.38 1ng9A1 LYS 45 HG3 0.06 0.08 -0.02 -0.04 1.46 1.55 1ng9A1 LYS 45 HD2 0.04 -0.00 -0.02 -0.04 1.69 1.67 1ng9A1 LYS 45 HD3 0.03 0.00 -0.01 -0.04 1.68 1.66 1ng9A1 LYS 45 HE2 0.04 0.00 -0.03 -0.04 2.99 2.96 1ng9A1 LYS 45 HE3 0.06 -0.01 -0.07 -0.04 2.99 2.93 1ng9A1 ARG 46 H 0.05 0.55 -0.12 -0.55 8.46 8.39 1ng9A1 ARG 46 HA 0.03 0.06 0.45 -0.75 4.34 4.12 1ng9A1 ARG 46 HB2 0.05 0.07 0.16 -0.04 1.90 2.14 1ng9A1 ARG 46 HB3 0.04 0.00 -0.06 -0.04 1.80 1.74 1ng9A1 ARG 46 HG2 0.04 -0.02 0.02 -0.04 1.67 1.67 1ng9A1 ARG 46 HG3 0.05 0.02 0.03 -0.04 1.67 1.73 1ng9A1 ARG 46 HD2 0.04 -0.02 -0.04 -0.04 3.22 3.17 1ng9A1 ARG 46 HD3 0.05 -0.01 -0.05 -0.04 3.22 3.18 1ng9A1 ALA 47 H 0.04 0.68 -0.07 -0.55 8.40 8.50 1ng9A1 ALA 47 HA 0.06 -0.00 0.35 -0.75 4.34 3.99 1ng9A1 ALA 47 HB3 0.04 -0.00 -0.01 -0.04 1.41 1.39 1ng9A1 SER 48 H 0.00 0.44 -0.55 -0.55 8.46 7.81 1ng9A1 SER 48 HA -0.01 -0.05 0.35 -0.75 4.49 4.03 1ng9A1 SER 48 HB2 -0.02 0.01 0.01 -0.04 3.95 3.91 1ng9A1 SER 48 HB3 0.00 0.18 0.13 -0.04 3.93 4.20 1ng9A1 GLN 49 H 0.02 0.36 -0.19 -0.55 8.47 8.12 1ng9A1 GLN 49 HA 0.02 0.05 0.54 -0.75 4.36 4.22 1ng9A1 GLN 49 HB2 0.03 0.07 0.19 -0.04 2.15 2.39 1ng9A1 GLN 49 HB3 0.02 -0.04 0.03 -0.04 2.02 2.00 1ng9A1 GLN 49 HG2 0.02 -0.05 0.03 -0.04 2.40 2.36 1ng9A1 GLN 49 HG3 0.02 0.09 0.07 -0.04 2.39 2.53 1ng9A1 GLN 49 HE21 0.02 -0.07 -0.05 -0.04 6.97 6.82 1ng9A1 GLN 49 HE22 0.02 0.20 -0.10 -0.04 7.69 7.77 1ng9A1 LEU 50 H 0.04 0.55 0.01 -0.55 8.37 8.42 1ng9A1 LEU 50 HA 0.04 0.08 0.45 -0.75 4.35 4.17 1ng9A1 LEU 50 HB2 0.06 -0.05 0.04 -0.04 1.64 1.64 1ng9A1 LEU 50 HB3 0.05 0.03 -0.03 -0.04 1.64 1.65 1ng9A1 LEU 50 HG 0.04 0.13 0.01 -0.04 1.64 1.78 1ng9A1 LEU 50 HD13 0.04 -0.02 -0.08 -0.04 0.93 0.83 1ng9A1 LEU 50 HD23 0.03 -0.00 -0.04 -0.04 0.89 0.83 1ng9A1 LEU 51 H 0.06 0.51 -0.02 -0.55 8.37 8.37 1ng9A1 LEU 51 HA 0.16 0.09 0.50 -0.75 4.35 4.36 1ng9A1 LEU 51 HB2 0.01 0.07 -0.06 -0.04 1.64 1.61 1ng9A1 LEU 51 HB3 0.14 -0.08 0.00 -0.04 1.64 1.66 1ng9A1 LEU 51 HG 0.08 0.02 0.06 -0.04 1.64 1.76 1ng9A1 LEU 51 HD13 -0.00 -0.04 -0.11 -0.04 0.93 0.73 1ng9A1 LEU 51 HD23 0.23 -0.01 -0.13 -0.04 0.89 0.94 1ng9A1 ASP 52 H 0.05 0.20 -0.52 -0.55 8.40 7.59 1ng9A1 ASP 52 HA 0.04 0.13 0.34 -0.75 4.63 4.38 1ng9A1 ASP 52 HB2 0.05 0.05 -0.17 -0.04 2.71 2.60 1ng9A1 ASP 52 HB3 0.07 0.12 0.25 -0.04 2.70 3.10 1ng9A1 ILE 53 H 0.01 0.33 0.11 -0.55 8.25 8.15 1ng9A1 ILE 53 HA 0.01 0.14 0.71 -0.75 4.18 4.28 1ng9A1 ILE 53 HB -0.06 -0.08 0.11 -0.04 1.89 1.83 1ng9A1 ILE 53 HG12 -0.05 0.05 -0.19 -0.04 1.49 1.25 1ng9A1 ILE 53 HG13 -0.07 0.06 -0.31 -0.04 1.21 0.85 1ng9A1 ILE 53 HG23 -0.07 0.02 -0.34 -0.04 0.93 0.50 1ng9A1 ILE 53 HD13 -0.22 -0.00 -0.18 -0.04 0.88 0.43 1ng9A1 SER 54 H -0.02 0.10 0.14 -0.55 8.46 8.13 1ng9A1 SER 54 HA -0.01 0.06 0.31 -0.75 4.49 4.09 1ng9A1 SER 54 HB2 -0.01 -0.01 0.13 -0.04 3.95 4.01 1ng9A1 SER 54 HB3 -0.03 -0.02 -0.02 -0.04 3.93 3.81 1ng9A1 LEU 55 H -0.02 0.15 0.19 -0.55 8.37 8.15 1ng9A1 LEU 55 HA -0.04 0.26 0.92 -0.75 4.35 4.74 1ng9A1 LEU 55 HB2 -0.01 0.06 0.09 -0.04 1.64 1.73 1ng9A1 LEU 55 HB3 -0.01 -0.05 0.23 -0.04 1.64 1.77 1ng9A1 LEU 55 HG -0.01 0.01 -0.13 -0.04 1.64 1.46 1ng9A1 LEU 55 HD13 -0.02 0.03 -0.08 -0.04 0.93 0.81 1ng9A1 LEU 55 HD23 0.00 -0.01 0.00 -0.04 0.89 0.84 1ng9A1 THR 56 H -0.06 0.65 0.23 -0.55 8.28 8.55 1ng9A1 THR 56 HA -0.03 0.15 0.75 -0.75 4.39 4.50 1ng9A1 THR 56 HB -0.04 -0.00 -0.11 -0.04 4.32 4.12 1ng9A1 THR 56 HG23 -0.08 0.03 -0.14 -0.04 1.22 0.98 1ng9A1 LYS 57 H -0.04 0.22 0.14 -0.55 8.42 8.18 1ng9A1 LYS 57 HA -0.04 0.20 0.57 -0.75 4.32 4.30 1ng9A1 LYS 57 HB2 -0.04 0.04 -0.15 -0.04 1.87 1.67 1ng9A1 LYS 57 HB3 -0.03 0.08 -0.24 -0.04 1.79 1.56 1ng9A1 LYS 57 HG2 -0.03 -0.07 -0.12 -0.04 1.46 1.19 1ng9A1 LYS 57 HG3 -0.03 -0.03 -0.18 -0.04 1.46 1.18 1ng9A1 LYS 57 HD2 -0.02 -0.03 -0.11 -0.04 1.69 1.49 1ng9A1 LYS 57 HD3 -0.03 0.01 -0.16 -0.04 1.68 1.46 1ng9A1 LYS 57 HE2 -0.02 0.05 -0.18 -0.04 2.99 2.80 1ng9A1 LYS 57 HE3 -0.02 -0.02 -0.12 -0.04 2.99 2.79 1ng9A1 ARG 58 H -0.03 0.50 0.21 -0.55 8.46 8.58 1ng9A1 ARG 58 HA -0.04 0.05 0.77 -0.75 4.34 4.36 1ng9A1 ARG 58 HB2 0.01 -0.01 0.08 -0.04 1.90 1.93 1ng9A1 ARG 58 HB3 -0.07 0.03 0.17 -0.04 1.80 1.89 1ng9A1 ARG 58 HG2 -0.12 0.12 -0.13 -0.04 1.67 1.50 1ng9A1 ARG 58 HG3 -0.07 -0.07 0.04 -0.04 1.67 1.54 1ng9A1 ARG 58 HD2 -0.19 -0.05 -0.01 -0.04 3.22 2.94 1ng9A1 ARG 58 HD3 -0.08 -0.03 0.00 -0.04 3.22 3.07 1ng9A1 GLY 59 H -0.05 0.08 0.15 -0.55 8.43 8.06 1ng9A1 GLY 59 HA2 -0.05 0.08 0.38 -0.51 4.01 3.92 1ng9A1 GLY 59 HA3 -0.04 0.01 0.30 -0.51 4.01 3.76 1ng9A1 ALA 60 H -0.05 0.25 0.11 -0.55 8.40 8.17 1ng9A1 ALA 60 HA -0.07 0.02 0.68 -0.75 4.34 4.22 1ng9A1 ALA 60 HB3 -0.07 0.05 -0.24 -0.04 1.41 1.11 1ng9A1 SER 61 H -0.06 0.11 0.10 -0.55 8.46 8.07 1ng9A1 SER 61 HA -0.03 0.14 0.66 -0.75 4.49 4.51 1ng9A1 SER 61 HB2 -0.03 -0.01 0.05 -0.04 3.95 3.92 1ng9A1 SER 61 HB3 -0.04 -0.01 0.10 -0.04 3.93 3.93 1ng9A1 ALA 62 H -0.06 0.04 -0.03 -0.55 8.40 7.81 1ng9A1 ALA 62 HA -0.04 0.11 0.85 -0.75 4.34 4.50 1ng9A1 ALA 62 HB3 -0.08 0.00 0.12 -0.04 1.41 1.41 1ng9A1 GLY 63 H -0.03 0.18 -0.01 -0.55 8.43 8.02 1ng9A1 GLY 63 HA2 -0.02 -0.03 0.28 -0.51 4.01 3.72 1ng9A1 GLY 63 HA3 -0.03 -0.01 0.25 -0.51 4.01 3.72 1ng9A1 GLU 64 H -0.02 0.08 0.17 -0.55 8.60 8.28 1ng9A1 GLU 64 HA -0.01 0.05 0.31 -0.75 4.29 3.89 1ng9A1 GLU 64 HB2 0.01 -0.10 0.12 -0.04 2.09 2.07 1ng9A1 GLU 64 HB3 0.02 0.14 0.01 -0.04 1.99 2.12 1ng9A1 GLU 64 HG2 0.02 -0.02 0.01 -0.04 2.34 2.30 1ng9A1 GLU 64 HG3 0.01 0.06 0.04 -0.04 2.34 2.42 1ng9A1 PRO 65 HA -0.06 0.12 0.43 -0.51 4.44 4.43 1ng9A1 PRO 65 HB2 -0.04 0.00 -0.12 -0.04 2.28 2.08 1ng9A1 PRO 65 HB3 -0.04 0.02 0.02 -0.04 2.02 1.98 1ng9A1 PRO 65 HG2 -0.02 0.01 -0.02 -0.04 2.03 1.96 1ng9A1 PRO 65 HG3 -0.02 0.02 0.03 -0.04 2.03 2.02 1ng9A1 PRO 65 HD2 -0.01 0.08 0.12 -0.04 3.68 3.84 1ng9A1 PRO 65 HD3 -0.01 0.09 0.20 -0.04 3.65 3.88 1ng9A1 ILE 66 H -0.10 0.44 0.18 -0.55 8.25 8.22 1ng9A1 ILE 66 HA -0.23 0.19 0.81 -0.75 4.18 4.20 1ng9A1 ILE 66 HB -0.22 -0.06 0.20 -0.04 1.89 1.76 1ng9A1 ILE 66 HG12 -0.26 0.02 -0.05 -0.04 1.49 1.17 1ng9A1 ILE 66 HG13 -0.15 0.04 -0.20 -0.04 1.21 0.86 1ng9A1 ILE 66 HG23 -0.72 0.04 -0.00 -0.04 0.93 0.21 1ng9A1 ILE 66 HD13 -0.26 -0.01 -0.01 -0.04 0.88 0.56 1ng9A1 PRO 67 HA -0.04 0.26 0.65 -0.51 4.44 4.80 1ng9A1 PRO 67 HB2 0.00 -0.04 0.11 -0.04 2.28 2.30 1ng9A1 PRO 67 HB3 0.00 0.08 0.09 -0.04 2.02 2.15 1ng9A1 PRO 67 HG2 0.08 -0.02 0.09 -0.04 2.03 2.13 1ng9A1 PRO 67 HG3 0.02 0.09 0.06 -0.04 2.03 2.15 1ng9A1 PRO 67 HD2 -0.15 -0.01 0.32 -0.04 3.68 3.79 1ng9A1 PRO 67 HD3 -0.02 0.38 0.20 -0.04 3.65 4.16 1ng9A1 MET 68 H -0.05 0.48 0.25 -0.55 8.47 8.60 1ng9A1 MET 68 HA -0.22 0.30 0.94 -0.75 4.52 4.78 1ng9A1 MET 68 HB2 0.07 0.06 -0.24 -0.04 2.15 2.00 1ng9A1 MET 68 HB3 -0.05 -0.13 -0.29 -0.04 2.03 1.51 1ng9A1 MET 68 HG2 -0.17 -0.02 -0.30 -0.04 2.63 2.10 1ng9A1 MET 68 HG3 -0.35 0.11 0.08 -0.04 2.56 2.36 1ng9A1 MET 68 HE3 -0.10 -0.01 -0.21 -0.04 2.10 1.74 1ng9A1 ALA 69 H -0.31 0.46 0.34 -0.55 8.40 8.34 1ng9A1 ALA 69 HA -0.13 0.18 0.45 -0.75 4.34 4.09 1ng9A1 ALA 69 HB3 -0.10 0.00 0.01 -0.04 1.41 1.28 1ng9A1 GLY 70 H -0.13 0.31 0.19 -0.55 8.43 8.26 1ng9A1 GLY 70 HA2 -0.21 0.05 0.43 -0.51 4.01 3.76 1ng9A1 GLY 70 HA3 -0.10 0.09 0.63 -0.51 4.01 4.11 1ng9A1 ILE 71 H -0.08 0.57 0.33 -0.55 8.25 8.53 1ng9A1 ILE 71 HA -0.06 0.18 0.86 -0.75 4.18 4.41 1ng9A1 ILE 71 HB -0.22 0.05 -0.02 -0.04 1.89 1.67 1ng9A1 ILE 71 HG12 -0.56 -0.00 -0.07 -0.04 1.49 0.82 1ng9A1 ILE 71 HG13 -0.23 -0.09 0.06 -0.04 1.21 0.91 1ng9A1 ILE 71 HG23 -0.95 -0.00 -0.21 -0.04 0.93 -0.27 1ng9A1 ILE 71 HD13 -0.15 0.01 -0.16 -0.04 0.88 0.54 1ng9A1 PRO 72 HA -0.89 0.31 0.76 -0.51 4.44 4.11 1ng9A1 PRO 72 HB2 -0.86 -0.10 0.03 -0.04 2.28 1.31 1ng9A1 PRO 72 HB3 -0.47 0.07 0.16 -0.04 2.02 1.75 1ng9A1 PRO 72 HG2 -0.22 0.05 0.09 -0.04 2.03 1.92 1ng9A1 PRO 72 HG3 -0.39 0.07 0.10 -0.04 2.03 1.77 1ng9A1 PRO 72 HD2 -0.13 0.11 0.21 -0.04 3.68 3.82 1ng9A1 PRO 72 HD3 -0.06 0.20 0.23 -0.04 3.65 3.98 1ng9A1 TYR 73 H -0.07 0.56 0.12 -0.55 8.29 8.34 1ng9A1 TYR 73 HA -0.08 0.07 0.19 -0.75 4.56 3.98 1ng9A1 TYR 73 HB2 -0.38 0.05 -0.02 -0.04 3.06 2.68 1ng9A1 TYR 73 HB3 -0.33 0.02 -0.18 -0.04 2.98 2.45 1ng9A1 TYR 73 HD2 -0.05 0.05 -0.02 -0.04 7.15 7.10 1ng9A1 TYR 73 HE2 -0.00 0.01 -0.02 -0.04 6.85 6.79 1ng9A1 HIS 74 H -0.71 0.10 -0.27 -0.55 8.41 6.99 1ng9A1 HIS 74 HA -0.52 0.13 0.49 -0.75 4.63 3.98 1ng9A1 HIS 74 HB2 -0.35 0.02 0.14 -0.04 3.26 3.03 1ng9A1 HIS 74 HB3 -0.97 0.00 0.06 -0.04 3.20 2.26 1ng9A1 HIS 74 HD2 -0.30 -0.02 0.04 -0.04 6.97 6.65 1ng9A1 HIS 74 HE1 -0.09 0.02 -0.04 -0.04 7.75 7.60 1ng9A1 ALA 75 H -0.32 0.50 -0.52 -0.55 8.40 7.51 1ng9A1 ALA 75 HA -0.09 0.16 0.84 -0.75 4.34 4.50 1ng9A1 ALA 75 HB3 -0.14 0.03 0.04 -0.04 1.41 1.30 1ng9A1 VAL 76 H 0.04 0.35 -0.14 -0.55 8.24 7.95 1ng9A1 VAL 76 HA 0.21 0.07 0.22 -0.75 4.13 3.88 1ng9A1 VAL 76 HB 0.11 0.01 -0.18 -0.04 2.12 2.02 1ng9A1 VAL 76 HG13 0.10 0.00 -0.02 -0.04 0.97 1.01 1ng9A1 VAL 76 HG23 0.24 0.06 0.10 -0.04 0.95 1.31 1ng9A1 GLU 77 H 0.04 0.14 -0.24 -0.55 8.60 7.99 1ng9A1 GLU 77 HA 0.03 0.07 0.21 -0.75 4.29 3.85 1ng9A1 GLU 77 HB2 0.01 0.01 0.04 -0.04 2.09 2.12 1ng9A1 GLU 77 HB3 -0.01 0.03 -0.01 -0.04 1.99 1.96 1ng9A1 GLU 77 HG2 -0.01 0.06 -0.16 -0.04 2.34 2.19 1ng9A1 GLU 77 HG3 0.00 -0.00 -0.01 -0.04 2.34 2.28 1ng9A1 ASN 78 H -0.04 0.19 -0.29 -0.55 8.53 7.84 1ng9A1 ASN 78 HA -0.09 0.09 0.40 -0.75 4.76 4.40 1ng9A1 ASN 78 HB2 -0.23 0.09 0.12 -0.04 2.88 2.82 1ng9A1 ASN 78 HB3 -0.38 0.06 -0.03 -0.04 2.79 2.40 1ng9A1 ASN 78 HD21 -0.07 0.01 0.01 -0.04 7.03 6.94 1ng9A1 ASN 78 HD22 -0.09 -0.02 0.03 -0.04 7.74 7.63 1ng9A1 TYR 79 H 0.07 0.27 -0.15 -0.55 8.29 7.94 1ng9A1 TYR 79 HA 0.04 0.12 0.54 -0.75 4.56 4.50 1ng9A1 TYR 79 HB2 0.12 0.04 0.06 -0.04 3.06 3.24 1ng9A1 TYR 79 HB3 0.15 -0.01 -0.03 -0.04 2.98 3.05 1ng9A1 TYR 79 HD2 0.01 0.07 -0.02 -0.04 7.15 7.16 1ng9A1 TYR 79 HE2 -0.03 0.10 -0.01 -0.04 6.85 6.86 1ng9A1 LEU 80 H 0.16 0.63 -0.04 -0.55 8.37 8.57 1ng9A1 LEU 80 HA 0.00 0.04 0.43 -0.75 4.35 4.06 1ng9A1 LEU 80 HB2 0.03 0.05 0.06 -0.04 1.64 1.73 1ng9A1 LEU 80 HB3 -0.03 -0.01 -0.09 -0.04 1.64 1.48 1ng9A1 LEU 80 HG 0.08 0.02 -0.06 -0.04 1.64 1.64 1ng9A1 LEU 80 HD13 -0.03 -0.03 -0.12 -0.04 0.93 0.71 1ng9A1 LEU 80 HD23 -0.26 0.00 -0.05 -0.04 0.89 0.54 1ng9A1 ALA 81 H 0.01 0.39 -0.38 -0.55 8.40 7.88 1ng9A1 ALA 81 HA -0.01 0.04 0.44 -0.75 4.34 4.06 1ng9A1 ALA 81 HB3 -0.02 0.06 0.08 -0.04 1.41 1.49 1ng9A1 LYS 82 H 0.01 0.36 -0.07 -0.55 8.42 8.16 1ng9A1 LYS 82 HA 0.01 0.01 0.33 -0.75 4.32 3.92 1ng9A1 LYS 82 HB2 0.10 0.05 0.16 -0.04 1.87 2.14 1ng9A1 LYS 82 HB3 0.07 0.05 -0.03 -0.04 1.79 1.84 1ng9A1 LYS 82 HG2 0.00 -0.01 0.06 -0.04 1.46 1.47 1ng9A1 LYS 82 HG3 -0.04 0.02 0.11 -0.04 1.46 1.52 1ng9A1 LYS 82 HD2 -0.12 -0.08 -0.03 -0.04 1.69 1.41 1ng9A1 LYS 82 HD3 0.10 0.08 0.05 -0.04 1.68 1.86 1ng9A1 LYS 82 HE2 -0.05 -0.03 0.01 -0.04 2.99 2.88 1ng9A1 LYS 82 HE3 -0.19 -0.09 -0.03 -0.04 2.99 2.65 1ng9A1 LEU 83 H 0.05 0.36 -0.50 -0.55 8.37 7.73 1ng9A1 LEU 83 HA 0.03 0.04 0.50 -0.75 4.35 4.16 1ng9A1 LEU 83 HB2 -0.02 0.11 0.09 -0.04 1.64 1.78 1ng9A1 LEU 83 HB3 -0.03 0.01 -0.09 -0.04 1.64 1.49 1ng9A1 LEU 83 HG 0.10 0.08 -0.07 -0.04 1.64 1.71 1ng9A1 LEU 83 HD13 0.01 -0.03 -0.16 -0.04 0.93 0.71 1ng9A1 LEU 83 HD23 0.05 -0.02 -0.09 -0.04 0.89 0.79 1ng9A1 VAL 84 H -0.01 0.53 0.01 -0.55 8.24 8.22 1ng9A1 VAL 84 HA -0.02 0.09 0.32 -0.75 4.13 3.77 1ng9A1 VAL 84 HB -0.03 0.15 0.13 -0.04 2.12 2.33 1ng9A1 VAL 84 HG13 -0.01 0.01 -0.10 -0.04 0.97 0.82 1ng9A1 VAL 84 HG23 -0.02 -0.01 -0.15 -0.04 0.95 0.73 1ng9A1 ASN 85 H -0.00 0.54 -0.22 -0.55 8.53 8.30 1ng9A1 ASN 85 HA -0.00 0.06 0.49 -0.75 4.76 4.56 1ng9A1 ASN 85 HB2 0.00 0.11 -0.00 -0.04 2.88 2.95 1ng9A1 ASN 85 HB3 0.00 -0.06 0.01 -0.04 2.79 2.70 1ng9A1 ASN 85 HD21 -0.01 -0.08 -0.14 -0.04 7.03 6.75 1ng9A1 ASN 85 HD22 -0.00 -0.03 -0.13 -0.04 7.74 7.53 1ng9A1 GLN 86 H 0.01 0.33 -0.40 -0.55 8.47 7.86 1ng9A1 GLN 86 HA 0.01 0.12 0.77 -0.75 4.36 4.50 1ng9A1 GLN 86 HB2 0.01 0.05 0.10 -0.04 2.15 2.27 1ng9A1 GLN 86 HB3 0.01 -0.09 0.15 -0.04 2.02 2.06 1ng9A1 GLN 86 HG2 0.01 -0.07 -0.02 -0.04 2.40 2.29 1ng9A1 GLN 86 HG3 0.02 0.13 0.03 -0.04 2.39 2.52 1ng9A1 GLN 86 HE21 0.04 -0.01 -0.04 -0.04 6.97 6.92 1ng9A1 GLN 86 HE22 0.03 0.23 0.10 -0.04 7.69 8.00 1ng9A1 GLY 87 H 0.00 0.28 -0.24 -0.55 8.43 7.93 1ng9A1 GLY 87 HA2 0.00 0.07 0.29 -0.51 4.01 3.86 1ng9A1 GLY 87 HA3 0.01 0.03 0.56 -0.51 4.01 4.09 1ng9A1 GLU 88 H -0.00 0.42 -0.02 -0.55 8.60 8.46 1ng9A1 GLU 88 HA 0.00 0.05 0.60 -0.75 4.29 4.19 1ng9A1 GLU 88 HB2 -0.01 -0.04 0.00 -0.04 2.09 2.00 1ng9A1 GLU 88 HB3 -0.02 0.04 -0.04 -0.04 1.99 1.93 1ng9A1 GLU 88 HG2 0.01 0.05 -0.11 -0.04 2.34 2.25 1ng9A1 GLU 88 HG3 0.02 -0.06 -0.01 -0.04 2.34 2.25 1ng9A1 SER 89 H -0.01 0.11 0.22 -0.55 8.46 8.24 1ng9A1 SER 89 HA -0.05 0.36 0.89 -0.75 4.49 4.93 1ng9A1 SER 89 HB2 -0.01 -0.06 0.03 -0.04 3.95 3.86 1ng9A1 SER 89 HB3 -0.05 0.00 -0.06 -0.04 3.93 3.78 1ng9A1 VAL 90 H -0.15 0.52 0.18 -0.55 8.24 8.24 1ng9A1 VAL 90 HA -0.20 0.18 0.74 -0.75 4.13 4.10 1ng9A1 VAL 90 HB -0.42 -0.08 -0.01 -0.04 2.12 1.56 1ng9A1 VAL 90 HG13 -1.02 -0.01 -0.19 -0.04 0.97 -0.29 1ng9A1 VAL 90 HG23 -0.28 0.04 -0.30 -0.04 0.95 0.38 1ng9A1 ALA 91 H -0.18 0.68 0.21 -0.55 8.40 8.57 1ng9A1 ALA 91 HA -0.24 0.16 0.95 -0.75 4.34 4.44 1ng9A1 ALA 91 HB3 -0.36 0.01 0.09 -0.04 1.41 1.11 1ng9A1 ILE 92 H -0.13 0.76 0.40 -0.55 8.25 8.72 1ng9A1 ILE 92 HA -0.05 0.05 0.85 -0.75 4.18 4.28 1ng9A1 ILE 92 HB -0.05 -0.01 0.20 -0.04 1.89 1.99 1ng9A1 ILE 92 HG12 -0.17 0.10 -0.05 -0.04 1.49 1.32 1ng9A1 ILE 92 HG13 -0.12 -0.02 -0.06 -0.04 1.21 0.97 1ng9A1 ILE 92 HG23 -0.08 -0.02 -0.11 -0.04 0.93 0.68 1ng9A1 ILE 92 HD13 -0.31 -0.01 -0.18 -0.04 0.88 0.34 1ng9A1 CYS 93 H 0.15 0.42 0.22 -0.55 8.50 8.74 1ng9A1 CYS 93 HA 0.07 0.20 1.06 -0.75 4.58 5.16 1ng9A1 CYS 93 HB2 0.18 0.03 0.01 -0.04 2.97 3.14 1ng9A1 CYS 93 HB3 0.14 -0.10 0.31 -0.04 2.97 3.28 1ng9A1 GLU 94 H 0.04 0.66 0.35 -0.55 8.60 9.11 1ng9A1 GLU 94 HA 0.06 0.11 0.98 -0.75 4.29 4.68 1ng9A1 GLU 94 HB2 0.04 0.02 -0.03 -0.04 2.09 2.08 1ng9A1 GLU 94 HB3 0.03 0.03 0.10 -0.04 1.99 2.12 1ng9A1 GLU 94 HG2 0.10 -0.05 -0.26 -0.04 2.34 2.10 1ng9A1 GLU 94 HG3 0.08 0.05 -0.06 -0.04 2.34 2.36 1ng9A1 GLN 95 H -0.04 0.12 0.19 -0.55 8.47 8.19 1ng9A1 GLN 95 HA -0.04 0.21 0.87 -0.75 4.36 4.65 1ng9A1 GLN 95 HB2 -0.06 0.00 0.11 -0.04 2.15 2.17 1ng9A1 GLN 95 HB3 -0.04 0.02 0.06 -0.04 2.02 2.02 1ng9A1 GLN 95 HG2 -0.09 0.13 -0.01 -0.04 2.40 2.38 1ng9A1 GLN 95 HG3 -0.09 -0.06 0.07 -0.04 2.39 2.26 1ng9A1 GLN 95 HE21 -0.05 -0.08 0.05 -0.04 6.97 6.84 1ng9A1 GLN 95 HE22 -0.06 0.10 0.03 -0.04 7.69 7.72 1ng9A1 ILE 96 H -0.01 0.54 0.25 -0.55 8.25 8.48 1ng9A1 ILE 96 HA -0.00 0.16 0.70 -0.75 4.18 4.29 1ng9A1 ILE 96 HB 0.00 -0.07 -0.02 -0.04 1.89 1.77 1ng9A1 ILE 96 HG12 0.01 -0.04 -0.10 -0.04 1.49 1.32 1ng9A1 ILE 96 HG13 0.01 0.02 -0.10 -0.04 1.21 1.10 1ng9A1 ILE 96 HG23 0.01 0.00 -0.07 -0.04 0.93 0.83 1ng9A1 ILE 96 HD13 0.01 0.03 -0.27 -0.04 0.88 0.61 1ng9A1 GLY 97 H -0.01 0.12 0.10 -0.55 8.43 8.10 1ng9A1 GLY 97 HA2 -0.00 0.15 0.48 -0.51 4.01 4.13 1ng9A1 GLY 97 HA3 -0.00 -0.05 0.27 -0.51 4.01 3.72 1ng9A1 ASP 98 H -0.01 0.13 0.11 -0.55 8.40 8.08 1ng9A1 ASP 98 HA -0.02 0.23 0.69 -0.75 4.63 4.78 1ng9A1 ASP 98 HB2 -0.01 0.09 0.10 -0.04 2.71 2.85 1ng9A1 ASP 98 HB3 -0.01 -0.03 0.15 -0.04 2.70 2.77 1ng9A1 PRO 99 HA -0.01 0.11 0.48 -0.51 4.44 4.51 1ng9A1 PRO 99 HB2 -0.01 0.03 0.01 -0.04 2.28 2.26 1ng9A1 PRO 99 HB3 -0.01 0.05 0.11 -0.04 2.02 2.13 1ng9A1 PRO 99 HG2 -0.03 0.03 0.10 -0.04 2.03 2.08 1ng9A1 PRO 99 HG3 -0.02 0.05 0.08 -0.04 2.03 2.10 1ng9A1 PRO 99 HD2 -0.02 0.05 0.24 -0.04 3.68 3.90 1ng9A1 PRO 99 HD3 -0.02 0.43 0.34 -0.04 3.65 4.35 1ng9A1 ALA 100 H -0.01 0.07 -0.23 -0.55 8.40 7.68 1ng9A1 ALA 100 HA -0.01 0.14 0.44 -0.75 4.34 4.16 1ng9A1 ALA 100 HB3 -0.01 0.00 0.04 -0.04 1.41 1.40 1ng9A1 THR 101 H -0.01 0.23 -0.40 -0.55 8.28 7.56 1ng9A1 THR 101 HA -0.00 0.21 0.80 -0.75 4.39 4.64 1ng9A1 THR 101 HB -0.00 -0.01 0.16 -0.04 4.32 4.43 1ng9A1 THR 101 HG23 -0.00 -0.01 -0.14 -0.04 1.22 1.02 1ng9A1 SER 102 H 0.00 0.34 -0.27 -0.55 8.46 7.98 1ng9A1 SER 102 HA 0.01 0.05 0.87 -0.75 4.49 4.66 1ng9A1 SER 102 HB2 0.00 0.07 0.06 -0.04 3.95 4.04 1ng9A1 SER 102 HB3 0.01 0.05 -0.26 -0.04 3.93 3.69 1ng9A1 LYS 103 H 0.01 0.08 0.06 -0.55 8.42 8.02 1ng9A1 LYS 103 HA 0.01 0.09 0.41 -0.75 4.32 4.07 1ng9A1 LYS 103 HB2 0.01 0.01 0.10 -0.04 1.87 1.95 1ng9A1 LYS 103 HB3 0.01 -0.09 0.14 -0.04 1.79 1.81 1ng9A1 LYS 103 HG2 0.01 -0.03 -0.07 -0.04 1.46 1.33 1ng9A1 LYS 103 HG3 0.01 0.04 -0.01 -0.04 1.46 1.45 1ng9A1 LYS 103 HD2 0.01 0.02 0.01 -0.04 1.69 1.68 1ng9A1 LYS 103 HD3 0.01 -0.02 0.00 -0.04 1.68 1.63 1ng9A1 LYS 103 HE2 0.01 0.01 -0.01 -0.04 2.99 2.95 1ng9A1 LYS 103 HE3 0.00 0.00 -0.00 -0.04 2.99 2.95 1ng9A1 GLY 104 H 0.02 -0.02 -0.07 -0.55 8.43 7.81 1ng9A1 GLY 104 HA2 0.01 0.13 0.56 -0.51 4.01 4.20 1ng9A1 GLY 104 HA3 0.02 0.00 0.32 -0.51 4.01 3.85 1ng9A1 PRO 105 HA 0.03 0.05 0.58 -0.51 4.44 4.59 1ng9A1 PRO 105 HB2 0.07 0.07 -0.09 -0.04 2.28 2.28 1ng9A1 PRO 105 HB3 0.08 0.04 -0.00 -0.04 2.02 2.10 1ng9A1 PRO 105 HG2 0.04 0.03 -0.34 -0.04 2.03 1.72 1ng9A1 PRO 105 HG3 0.03 -0.01 -0.07 -0.04 2.03 1.94 1ng9A1 PRO 105 HD2 0.03 0.09 0.16 -0.04 3.68 3.92 1ng9A1 PRO 105 HD3 0.02 0.12 0.10 -0.04 3.65 3.85 1ng9A1 VAL 106 H 0.03 0.09 0.10 -0.55 8.24 7.90 1ng9A1 VAL 106 HA 0.02 0.03 0.20 -0.75 4.13 3.62 1ng9A1 VAL 106 HB -0.00 0.02 0.03 -0.04 2.12 2.12 1ng9A1 VAL 106 HG13 -0.00 0.09 -0.18 -0.04 0.97 0.84 1ng9A1 VAL 106 HG23 0.00 0.01 -0.07 -0.04 0.95 0.85 1ng9A1 GLU 107 H 0.02 0.05 0.12 -0.55 8.60 8.24 1ng9A1 GLU 107 HA 0.03 0.08 0.41 -0.75 4.29 4.06 1ng9A1 GLU 107 HB2 0.02 0.03 0.14 -0.04 2.09 2.23 1ng9A1 GLU 107 HB3 0.01 -0.15 0.12 -0.04 1.99 1.93 1ng9A1 GLU 107 HG2 0.02 0.01 -0.21 -0.04 2.34 2.12 1ng9A1 GLU 107 HG3 0.02 0.05 0.01 -0.04 2.34 2.38 1ng9A1 ARG 108 H 0.04 0.21 0.19 -0.55 8.46 8.34 1ng9A1 ARG 108 HA -0.01 0.19 1.08 -0.75 4.34 4.85 1ng9A1 ARG 108 HB2 0.06 -0.05 0.12 -0.04 1.90 1.99 1ng9A1 ARG 108 HB3 -0.07 0.04 -0.05 -0.04 1.80 1.69 1ng9A1 ARG 108 HG2 -0.03 0.06 -0.42 -0.04 1.67 1.24 1ng9A1 ARG 108 HG3 0.02 0.00 -0.09 -0.04 1.67 1.57 1ng9A1 ARG 108 HD2 -0.56 -0.05 -0.13 -0.04 3.22 2.44 1ng9A1 ARG 108 HD3 -0.19 -0.06 -0.18 -0.04 3.22 2.75 1ng9A1 LYS 109 H 0.02 0.26 0.18 -0.55 8.42 8.32 1ng9A1 LYS 109 HA 0.05 0.16 0.94 -0.75 4.32 4.72 1ng9A1 LYS 109 HB2 0.02 -0.06 0.02 -0.04 1.87 1.81 1ng9A1 LYS 109 HB3 0.03 0.21 -0.11 -0.04 1.79 1.88 1ng9A1 LYS 109 HG2 0.03 0.05 0.03 -0.04 1.46 1.53 1ng9A1 LYS 109 HG3 0.02 -0.12 -0.17 -0.04 1.46 1.15 1ng9A1 LYS 109 HD2 0.01 -0.08 -0.05 -0.04 1.69 1.54 1ng9A1 LYS 109 HD3 0.02 0.02 -0.04 -0.04 1.68 1.63 1ng9A1 LYS 109 HE2 0.01 0.07 -0.00 -0.04 2.99 3.03 1ng9A1 LYS 109 HE3 0.02 0.07 0.01 -0.04 2.99 3.05 1ng9A1 VAL 110 H 0.08 0.16 0.16 -0.55 8.24 8.09 1ng9A1 VAL 110 HA 0.05 0.17 0.95 -0.75 4.13 4.55 1ng9A1 VAL 110 HB 0.16 -0.01 0.15 -0.04 2.12 2.38 1ng9A1 VAL 110 HG13 -0.08 0.03 -0.17 -0.04 0.97 0.71 1ng9A1 VAL 110 HG23 0.20 -0.00 -0.07 -0.04 0.95 1.03 1ng9A1 VAL 111 H 0.02 0.39 0.28 -0.55 8.24 8.39 1ng9A1 VAL 111 HA 0.01 0.15 0.68 -0.75 4.13 4.22 1ng9A1 VAL 111 HB 0.01 0.06 0.05 -0.04 2.12 2.20 1ng9A1 VAL 111 HG13 0.03 -0.01 -0.09 -0.04 0.97 0.85 1ng9A1 VAL 111 HG23 0.03 0.01 -0.05 -0.04 0.95 0.89 1ng9A1 ARG 112 H -0.03 0.18 0.21 -0.55 8.46 8.27 1ng9A1 ARG 112 HA -0.06 0.33 0.34 -0.75 4.34 4.19 1ng9A1 ARG 112 HB2 -0.06 0.19 0.25 -0.04 1.90 2.23 1ng9A1 ARG 112 HB3 -0.03 0.08 -0.20 -0.04 1.80 1.61 1ng9A1 ARG 112 HG2 -0.06 -0.17 -0.08 -0.04 1.67 1.32 1ng9A1 ARG 112 HG3 -0.07 -0.02 -0.28 -0.04 1.67 1.25 1ng9A1 ARG 112 HD2 -0.03 0.01 -0.07 -0.04 3.22 3.08 1ng9A1 ARG 112 HD3 -0.01 0.06 -0.09 -0.04 3.22 3.13 1ng9A1 ILE 113 H -0.12 0.83 0.35 -0.55 8.25 8.76 1ng9A1 ILE 113 HA -0.17 0.16 1.04 -0.75 4.18 4.45 1ng9A1 ILE 113 HB -0.20 -0.04 0.09 -0.04 1.89 1.71 1ng9A1 ILE 113 HG12 -0.30 -0.03 -0.16 -0.04 1.49 0.96 1ng9A1 ILE 113 HG13 -0.15 0.13 -0.20 -0.04 1.21 0.95 1ng9A1 ILE 113 HG23 -0.18 -0.03 -0.32 -0.04 0.93 0.36 1ng9A1 ILE 113 HD13 -0.16 -0.01 -0.13 -0.04 0.88 0.54 1ng9A1 VAL 114 H -0.16 0.53 0.21 -0.55 8.24 8.27 1ng9A1 VAL 114 HA -0.08 0.11 0.68 -0.75 4.13 4.08 1ng9A1 VAL 114 HB -0.15 -0.02 0.20 -0.04 2.12 2.11 1ng9A1 VAL 114 HG13 -0.07 -0.00 -0.15 -0.04 0.97 0.71 1ng9A1 VAL 114 HG23 -0.10 -0.01 -0.05 -0.04 0.95 0.75 1ng9A1 THR 115 H -0.05 0.24 0.11 -0.55 8.28 8.03 1ng9A1 THR 115 HA -0.01 0.25 0.79 -0.75 4.39 4.66 1ng9A1 THR 115 HB 0.10 0.07 0.04 -0.04 4.32 4.49 1ng9A1 THR 115 HG23 -0.06 0.04 -0.27 -0.04 1.22 0.89 1ng9A1 PRO 116 HA -0.01 0.09 0.18 -0.51 4.44 4.20 1ng9A1 PRO 116 HB2 0.00 0.13 -0.12 -0.04 2.28 2.25 1ng9A1 PRO 116 HB3 -0.00 0.15 0.07 -0.04 2.02 2.20 1ng9A1 PRO 116 HG2 0.01 0.09 0.04 -0.04 2.03 2.12 1ng9A1 PRO 116 HG3 -0.00 0.06 -0.11 -0.04 2.03 1.94 1ng9A1 PRO 116 HD2 0.04 0.08 0.08 -0.04 3.68 3.83 1ng9A1 PRO 116 HD3 0.02 0.13 0.03 -0.04 3.65 3.79 1ng9A1 GLY 117 H 0.04 0.08 -0.34 -0.55 8.43 7.66 1ng9A1 GLY 117 HA2 -0.00 0.20 0.52 -0.51 4.01 4.21 1ng9A1 GLY 117 HA3 0.01 -0.01 0.21 -0.51 4.01 3.71 1ng9A1 THR 118 H 0.02 0.44 -0.29 -0.55 8.28 7.90 1ng9A1 THR 118 HA -0.01 0.17 0.84 -0.75 4.39 4.64 1ng9A1 THR 118 HB -0.03 0.03 0.17 -0.04 4.32 4.45 1ng9A1 THR 118 HG23 0.06 -0.02 -0.20 -0.04 1.22 1.03 1ng9A1 ILE 119 H -0.01 0.21 -0.19 -0.55 8.25 7.72 1ng9A1 ILE 119 HA -0.02 0.05 0.63 -0.75 4.18 4.08 1ng9A1 ILE 119 HB -0.02 -0.10 -0.08 -0.04 1.89 1.65 1ng9A1 ILE 119 HG12 -0.01 0.16 -0.01 -0.04 1.49 1.58 1ng9A1 ILE 119 HG13 -0.01 -0.04 0.00 -0.04 1.21 1.12 1ng9A1 ILE 119 HG23 -0.03 0.05 -0.10 -0.04 0.93 0.82 1ng9A1 ILE 119 HD13 -0.01 -0.02 -0.17 -0.04 0.88 0.63 1ng9A1 SER 120 H -0.02 0.03 0.15 -0.55 8.46 8.08 1ng9A1 SER 120 HA -0.00 0.21 0.74 -0.75 4.49 4.69 1ng9A1 SER 120 HB2 0.00 -0.03 -0.04 -0.04 3.95 3.84 1ng9A1 SER 120 HB3 0.00 0.09 -0.27 -0.04 3.93 3.71 1ng9A1 ASP 121 H -0.01 -0.01 0.06 -0.55 8.40 7.89 1ng9A1 ASP 121 HA -0.01 0.13 0.53 -0.75 4.63 4.52 1ng9A1 ASP 121 HB2 -0.01 0.01 0.05 -0.04 2.71 2.72 1ng9A1 ASP 121 HB3 -0.00 -0.08 0.02 -0.04 2.70 2.59 1ng9A1 GLU 122 H -0.00 0.13 0.15 -0.55 8.60 8.33 1ng9A1 GLU 122 HA -0.01 0.16 0.20 -0.75 4.29 3.88 1ng9A1 GLU 122 HB2 -0.01 0.02 0.11 -0.04 2.09 2.16 1ng9A1 GLU 122 HB3 -0.01 -0.05 0.09 -0.04 1.99 1.98 1ng9A1 GLU 122 HG2 -0.01 0.04 -0.15 -0.04 2.34 2.19 1ng9A1 GLU 122 HG3 -0.01 0.02 0.01 -0.04 2.34 2.33 1ng9A1 ALA 123 H -0.01 0.01 -0.21 -0.55 8.40 7.64 1ng9A1 ALA 123 HA -0.01 0.20 0.45 -0.75 4.34 4.21 1ng9A1 ALA 123 HB3 -0.01 -0.01 0.02 -0.04 1.41 1.37 1ng9A1 LEU 124 H -0.01 0.21 -0.43 -0.55 8.37 7.58 1ng9A1 LEU 124 HA -0.01 0.20 0.81 -0.75 4.35 4.60 1ng9A1 LEU 124 HB2 -0.01 0.03 -0.12 -0.04 1.64 1.49 1ng9A1 LEU 124 HB3 -0.01 0.05 0.03 -0.04 1.64 1.66 1ng9A1 LEU 124 HG -0.01 -0.16 -0.15 -0.04 1.64 1.28 1ng9A1 LEU 124 HD13 -0.02 -0.02 -0.08 -0.04 0.93 0.78 1ng9A1 LEU 124 HD23 -0.01 0.01 -0.25 -0.04 0.89 0.60 1ng9A1 LEU 125 H -0.01 0.16 -0.24 -0.55 8.37 7.73 1ng9A1 LEU 125 HA -0.01 0.19 0.74 -0.75 4.35 4.52 1ng9A1 LEU 125 HB2 -0.01 -0.02 -0.13 -0.04 1.64 1.45 1ng9A1 LEU 125 HB3 -0.01 0.10 -0.04 -0.04 1.64 1.64 1ng9A1 LEU 125 HG -0.01 -0.13 -0.38 -0.04 1.64 1.08 1ng9A1 LEU 125 HD13 -0.01 -0.01 -0.34 -0.04 0.93 0.53 1ng9A1 LEU 125 HD23 -0.01 0.07 -0.07 -0.04 0.89 0.84 1ng9A1 GLN 126 H -0.01 0.24 0.09 -0.55 8.47 8.24 1ng9A1 GLN 126 HA -0.01 0.13 0.83 -0.75 4.36 4.56 1ng9A1 GLN 126 HB2 -0.01 0.07 0.05 -0.04 2.15 2.22 1ng9A1 GLN 126 HB3 -0.01 -0.09 0.01 -0.04 2.02 1.90 1ng9A1 GLN 126 HG2 -0.01 0.05 -0.26 -0.04 2.40 2.14 1ng9A1 GLN 126 HG3 -0.01 0.08 -0.06 -0.04 2.39 2.36 1ng9A1 GLN 126 HE21 -0.00 -0.01 -0.03 -0.04 6.97 6.88 1ng9A1 GLN 126 HE22 -0.01 -0.03 -0.01 -0.04 7.69 7.60 1ng9A1 GLU 127 H -0.01 0.14 0.10 -0.55 8.60 8.29 1ng9A1 GLU 127 HA -0.01 0.08 0.17 -0.75 4.29 3.77 1ng9A1 GLU 127 HB2 -0.01 -0.02 0.14 -0.04 2.09 2.16 1ng9A1 GLU 127 HB3 -0.01 -0.01 -0.06 -0.04 1.99 1.87 1ng9A1 GLU 127 HG2 -0.01 -0.01 0.02 -0.04 2.34 2.30 1ng9A1 GLU 127 HG3 -0.01 0.05 0.04 -0.04 2.34 2.38 1ng9A1 ARG 128 H -0.01 0.06 -0.11 -0.55 8.46 7.85 1ng9A1 ARG 128 HA -0.02 0.20 0.69 -0.75 4.34 4.46 1ng9A1 ARG 128 HB2 -0.01 0.03 -0.01 -0.04 1.90 1.88 1ng9A1 ARG 128 HB3 -0.01 0.02 0.09 -0.04 1.80 1.85 1ng9A1 ARG 128 HG2 -0.02 -0.02 -0.19 -0.04 1.67 1.40 1ng9A1 ARG 128 HG3 -0.01 -0.08 -0.04 -0.04 1.67 1.50 1ng9A1 ARG 128 HD2 -0.01 -0.00 -0.06 -0.04 3.22 3.11 1ng9A1 ARG 128 HD3 -0.01 0.05 -0.05 -0.04 3.22 3.17 1ng9A1 GLN 129 H -0.01 0.27 -0.45 -0.55 8.47 7.73 1ng9A1 GLN 129 HA -0.00 0.16 0.85 -0.75 4.36 4.61 1ng9A1 GLN 129 HB2 -0.00 -0.15 -0.04 -0.04 2.15 1.91 1ng9A1 GLN 129 HB3 -0.01 0.21 -0.09 -0.04 2.02 2.09 1ng9A1 GLN 129 HG2 0.00 0.09 0.00 -0.04 2.40 2.45 1ng9A1 GLN 129 HG3 0.00 0.04 -0.23 -0.04 2.39 2.16 1ng9A1 GLN 129 HE21 0.00 -0.03 -0.07 -0.04 6.97 6.83 1ng9A1 GLN 129 HE22 0.00 -0.02 -0.14 -0.04 7.69 7.49 1ng9A1 ASP 130 H -0.01 0.14 0.07 -0.55 8.40 8.06 1ng9A1 ASP 130 HA -0.01 0.03 0.51 -0.75 4.63 4.41 1ng9A1 ASP 130 HB2 -0.01 0.08 0.05 -0.04 2.71 2.79 1ng9A1 ASP 130 HB3 -0.01 -0.00 -0.10 -0.04 2.70 2.55 1ng9A1 ASN 131 H -0.01 0.13 0.07 -0.55 8.53 8.17 1ng9A1 ASN 131 HA -0.01 0.19 0.77 -0.75 4.76 4.95 1ng9A1 ASN 131 HB2 -0.01 -0.00 -0.04 -0.04 2.88 2.79 1ng9A1 ASN 131 HB3 -0.01 -0.04 0.19 -0.04 2.79 2.88 1ng9A1 ASN 131 HD21 -0.01 0.31 0.14 -0.04 7.03 7.43 1ng9A1 ASN 131 HD22 -0.01 -0.18 0.06 -0.04 7.74 7.56 1ng9A1 LEU 132 H -0.01 0.27 0.12 -0.55 8.37 8.20 1ng9A1 LEU 132 HA -0.02 0.20 0.87 -0.75 4.35 4.63 1ng9A1 LEU 132 HB2 -0.00 0.04 0.01 -0.04 1.64 1.64 1ng9A1 LEU 132 HB3 -0.02 0.10 -0.05 -0.04 1.64 1.64 1ng9A1 LEU 132 HG -0.00 -0.00 -0.18 -0.04 1.64 1.42 1ng9A1 LEU 132 HD13 0.01 0.03 -0.11 -0.04 0.93 0.83 1ng9A1 LEU 132 HD23 -0.01 -0.03 -0.25 -0.04 0.89 0.56 1ng9A1 LEU 133 H -0.04 0.41 0.48 -0.55 8.37 8.67 1ng9A1 LEU 133 HA -0.04 0.09 0.96 -0.75 4.35 4.61 1ng9A1 LEU 133 HB2 -0.01 0.22 0.17 -0.04 1.64 1.98 1ng9A1 LEU 133 HB3 -0.06 -0.07 0.18 -0.04 1.64 1.65 1ng9A1 LEU 133 HG -0.09 0.02 -0.10 -0.04 1.64 1.42 1ng9A1 LEU 133 HD13 -0.12 0.00 0.01 -0.04 0.93 0.79 1ng9A1 LEU 133 HD23 0.04 -0.01 -0.08 -0.04 0.89 0.80 1ng9A1 ALA 134 H -0.08 0.43 0.35 -0.55 8.40 8.55 1ng9A1 ALA 134 HA -0.16 0.17 0.80 -0.75 4.34 4.40 1ng9A1 ALA 134 HB3 -0.09 0.01 0.03 -0.04 1.41 1.32 1ng9A1 ALA 135 H -0.21 0.52 0.34 -0.55 8.40 8.51 1ng9A1 ALA 135 HA 0.05 0.31 0.83 -0.75 4.34 4.78 1ng9A1 ALA 135 HB3 -0.02 -0.04 0.04 -0.04 1.41 1.35 1ng9A1 ILE 136 H 0.25 0.76 0.41 -0.55 8.25 9.11 1ng9A1 ILE 136 HA 0.48 0.30 1.06 -0.75 4.18 5.27 1ng9A1 ILE 136 HB 0.32 0.04 -0.06 -0.04 1.89 2.15 1ng9A1 ILE 136 HG12 0.50 -0.12 -0.00 -0.04 1.49 1.83 1ng9A1 ILE 136 HG13 0.38 0.14 0.19 -0.04 1.21 1.88 1ng9A1 ILE 136 HG23 -0.18 0.00 -0.14 -0.04 0.93 0.57 1ng9A1 ILE 136 HD13 -0.01 -0.01 -0.08 -0.04 0.88 0.74 1ng9A1 TRP 137 H 0.60 0.47 0.33 -0.55 7.97 8.82 1ng9A1 TRP 137 HA 0.20 -0.04 0.68 -0.75 4.62 4.70 1ng9A1 TRP 137 HB2 -0.47 0.03 0.07 -0.04 3.23 2.82 1ng9A1 TRP 137 HB3 0.32 0.02 -0.41 -0.04 3.23 3.11 1ng9A1 TRP 137 HD1 0.20 -0.03 0.05 -0.04 7.22 7.40 1ng9A1 TRP 137 HE1 0.09 -0.08 -0.05 -0.04 10.20 10.12 1ng9A1 TRP 137 HE3 -0.41 -0.05 0.03 -0.04 7.59 7.11 1ng9A1 TRP 137 HZ2 0.04 -0.06 -0.08 -0.04 7.44 7.30 1ng9A1 TRP 137 HZ3 -0.06 -0.06 -0.01 -0.04 7.13 6.96 1ng9A1 TRP 137 HH2 0.02 -0.05 -0.04 -0.04 7.19 7.08 1ng9A1 GLN 138 H -0.27 0.21 0.19 -0.55 8.47 8.05 1ng9A1 GLN 138 HA -0.70 0.30 1.14 -0.75 4.36 4.35 1ng9A1 GLN 138 HB2 -0.66 -0.02 -0.12 -0.04 2.15 1.31 1ng9A1 GLN 138 HB3 -0.77 -0.14 0.06 -0.04 2.02 1.13 1ng9A1 GLN 138 HG2 -0.80 0.26 -0.02 -0.04 2.40 1.80 1ng9A1 GLN 138 HG3 -1.68 0.04 -0.07 -0.04 2.39 0.64 1ng9A1 GLN 138 HE21 -0.36 -0.07 -0.07 -0.04 6.97 6.42 1ng9A1 GLN 138 HE22 -0.54 0.25 -0.14 -0.04 7.69 7.23 1ng9A1 ASP 139 H -0.72 0.54 0.27 -0.55 8.40 7.94 1ng9A1 ASP 139 HA -0.49 0.16 0.38 -0.75 4.63 3.93 1ng9A1 ASP 139 HB2 -0.27 -0.08 0.20 -0.04 2.71 2.52 1ng9A1 ASP 139 HB3 -0.72 0.08 0.05 -0.04 2.70 2.07 1ng9A1 SER 140 H -0.22 0.13 0.12 -0.55 8.46 7.94 1ng9A1 SER 140 HA -0.19 0.05 0.37 -0.75 4.49 3.97 1ng9A1 SER 140 HB2 -0.10 0.07 0.02 -0.04 3.95 3.90 1ng9A1 SER 140 HB3 -0.11 0.02 0.15 -0.04 3.93 3.95 1ng9A1 LYS 141 H -0.17 -0.06 -0.21 -0.55 8.42 7.43 1ng9A1 LYS 141 HA -0.12 0.09 0.30 -0.75 4.32 3.84 1ng9A1 LYS 141 HB2 -0.08 -0.07 0.09 -0.04 1.87 1.77 1ng9A1 LYS 141 HB3 -0.06 0.05 0.03 -0.04 1.79 1.78 1ng9A1 LYS 141 HG2 -0.06 0.05 0.01 -0.04 1.46 1.42 1ng9A1 LYS 141 HG3 -0.07 -0.11 0.03 -0.04 1.46 1.26 1ng9A1 LYS 141 HD2 -0.02 0.01 0.01 -0.04 1.69 1.65 1ng9A1 LYS 141 HD3 -0.02 0.03 0.01 -0.04 1.68 1.66 1ng9A1 LYS 141 HE2 -0.03 -0.01 0.01 -0.04 2.99 2.93 1ng9A1 LYS 141 HE3 -0.02 -0.04 0.01 -0.04 2.99 2.90 1ng9A1 GLY 142 H -0.25 -0.02 0.02 -0.55 8.43 7.63 1ng9A1 GLY 142 HA2 -0.31 0.19 0.62 -0.51 4.01 4.00 1ng9A1 GLY 142 HA3 -0.08 0.05 0.38 -0.51 4.01 3.85 1ng9A1 PHE 143 H 0.18 0.45 0.15 -0.55 8.34 8.57 1ng9A1 PHE 143 HA -0.13 0.19 1.21 -0.75 4.62 5.14 1ng9A1 PHE 143 HB2 0.04 0.01 -0.01 -0.04 3.15 3.15 1ng9A1 PHE 143 HB3 0.11 0.11 0.08 -0.04 3.06 3.33 1ng9A1 PHE 143 HD2 0.04 0.14 -0.17 -0.04 7.28 7.25 1ng9A1 PHE 143 HE2 -0.15 -0.12 -0.30 -0.04 7.38 6.78 1ng9A1 PHE 143 HZ -0.12 -0.08 -0.10 -0.04 7.32 6.98 1ng9A1 GLY 144 H 0.41 0.49 0.30 -0.55 8.43 9.09 1ng9A1 GLY 144 HA2 0.34 0.18 0.63 -0.51 4.01 4.65 1ng9A1 GLY 144 HA3 0.58 0.22 0.11 -0.51 4.01 4.41 1ng9A1 TYR 145 H 0.29 0.33 0.31 -0.55 8.29 8.68 1ng9A1 TYR 145 HA 0.19 0.35 1.03 -0.75 4.56 5.38 1ng9A1 TYR 145 HB2 0.13 -0.04 -0.30 -0.04 3.06 2.80 1ng9A1 TYR 145 HB3 0.09 -0.08 -0.01 -0.04 2.98 2.94 1ng9A1 TYR 145 HD2 0.07 -0.05 -0.04 -0.04 7.15 7.08 1ng9A1 TYR 145 HE2 0.01 0.01 -0.18 -0.04 6.85 6.65 1ng9A1 ALA 146 H -0.29 0.55 0.39 -0.55 8.40 8.51 1ng9A1 ALA 146 HA -0.09 0.25 0.98 -0.75 4.34 4.72 1ng9A1 ALA 146 HB3 0.06 -0.01 -0.03 -0.04 1.41 1.38 1ng9A1 THR 147 H -0.01 0.39 0.27 -0.55 8.28 8.39 1ng9A1 THR 147 HA -0.13 0.26 0.81 -0.75 4.39 4.57 1ng9A1 THR 147 HB -0.03 0.11 0.03 -0.04 4.32 4.39 1ng9A1 THR 147 HG23 -0.15 -0.01 -0.21 -0.04 1.22 0.81 1ng9A1 LEU 148 H -0.07 0.72 0.25 -0.55 8.37 8.72 1ng9A1 LEU 148 HA -0.07 0.30 0.79 -0.75 4.35 4.62 1ng9A1 LEU 148 HB2 -0.42 -0.01 -0.10 -0.04 1.64 1.07 1ng9A1 LEU 148 HB3 -0.18 -0.04 0.05 -0.04 1.64 1.44 1ng9A1 LEU 148 HG -0.19 -0.11 -0.44 -0.04 1.64 0.86 1ng9A1 LEU 148 HD13 -0.40 0.02 -0.21 -0.04 0.93 0.30 1ng9A1 LEU 148 HD23 -0.33 0.00 -0.10 -0.04 0.89 0.43 1ng9A1 ASP 149 H -0.06 0.50 0.03 -0.55 8.40 8.33 1ng9A1 ASP 149 HA -0.04 0.25 0.83 -0.75 4.63 4.91 1ng9A1 ASP 149 HB2 -0.02 0.09 0.02 -0.04 2.71 2.77 1ng9A1 ASP 149 HB3 -0.03 -0.07 0.18 -0.04 2.70 2.73 1ng9A1 ILE 150 H -0.06 0.38 -0.01 -0.55 8.25 8.02 1ng9A1 ILE 150 HA -0.12 0.04 0.30 -0.75 4.18 3.65 1ng9A1 ILE 150 HB -0.04 0.06 0.09 -0.04 1.89 1.95 1ng9A1 ILE 150 HG12 0.02 0.08 -0.13 -0.04 1.49 1.42 1ng9A1 ILE 150 HG13 0.10 -0.05 0.03 -0.04 1.21 1.26 1ng9A1 ILE 150 HG23 -0.01 -0.01 -0.30 -0.04 0.93 0.58 1ng9A1 ILE 150 HD13 -0.02 0.00 0.01 -0.04 0.88 0.82 1ng9A1 SER 151 H -0.02 0.14 -0.32 -0.55 8.46 7.72 1ng9A1 SER 151 HA 0.07 0.15 0.63 -0.75 4.49 4.58 1ng9A1 SER 151 HB2 0.01 0.02 0.17 -0.04 3.95 4.11 1ng9A1 SER 151 HB3 0.00 0.11 0.08 -0.04 3.93 4.09 1ng9A1 SER 152 H -0.10 0.15 -0.56 -0.55 8.46 7.41 1ng9A1 SER 152 HA 0.00 0.11 0.43 -0.75 4.49 4.28 1ng9A1 SER 152 HB2 -0.01 -0.02 0.06 -0.04 3.95 3.95 1ng9A1 SER 152 HB3 -0.01 0.06 -0.37 -0.04 3.93 3.57 1ng9A1 GLY 153 H -0.21 0.48 0.17 -0.55 8.43 8.32 1ng9A1 GLY 153 HA2 -0.36 -0.04 0.27 -0.51 4.01 3.38 1ng9A1 GLY 153 HA3 -0.18 0.45 0.80 -0.51 4.01 4.57 1ng9A1 ARG 154 H -0.04 0.05 -0.25 -0.55 8.46 7.67 1ng9A1 ARG 154 HA 0.04 0.05 0.42 -0.75 4.34 4.09 1ng9A1 ARG 154 HB2 0.01 -0.04 0.07 -0.04 1.90 1.89 1ng9A1 ARG 154 HB3 0.03 -0.01 0.01 -0.04 1.80 1.79 1ng9A1 ARG 154 HG2 0.05 0.03 -0.06 -0.04 1.67 1.64 1ng9A1 ARG 154 HG3 0.04 0.01 -0.05 -0.04 1.67 1.63 1ng9A1 ARG 154 HD2 0.07 0.01 -0.07 -0.04 3.22 3.19 1ng9A1 ARG 154 HD3 0.05 -0.02 -0.08 -0.04 3.22 3.13 1ng9A1 PHE 155 H 0.14 0.22 0.30 -0.55 8.34 8.45 1ng9A1 PHE 155 HA -0.04 0.24 0.95 -0.75 4.62 5.02 1ng9A1 PHE 155 HB2 -0.02 0.12 0.13 -0.04 3.15 3.34 1ng9A1 PHE 155 HB3 -0.03 0.09 0.41 -0.04 3.06 3.49 1ng9A1 PHE 155 HD2 0.09 0.15 0.08 -0.04 7.28 7.56 1ng9A1 PHE 155 HE2 -0.05 -0.05 -0.08 -0.04 7.38 7.16 1ng9A1 PHE 155 HZ -0.06 0.14 0.01 -0.04 7.32 7.37 1ng9A1 ARG 156 H 0.27 0.62 0.41 -0.55 8.46 9.20 1ng9A1 ARG 156 HA -0.03 0.25 1.11 -0.75 4.34 4.91 1ng9A1 ARG 156 HB2 0.05 -0.04 0.01 -0.04 1.90 1.89 1ng9A1 ARG 156 HB3 0.04 -0.00 0.02 -0.04 1.80 1.81 1ng9A1 ARG 156 HG2 0.06 -0.08 -0.57 -0.04 1.67 1.04 1ng9A1 ARG 156 HG3 0.05 0.03 -0.17 -0.04 1.67 1.54 1ng9A1 ARG 156 HD2 0.03 -0.01 -0.10 -0.04 3.22 3.10 1ng9A1 ARG 156 HD3 0.01 0.09 0.04 -0.04 3.22 3.32 1ng9A1 LEU 157 H -0.02 0.53 0.38 -0.55 8.37 8.72 1ng9A1 LEU 157 HA -0.00 0.26 1.02 -0.75 4.35 4.87 1ng9A1 LEU 157 HB2 -0.14 0.05 -0.23 -0.04 1.64 1.27 1ng9A1 LEU 157 HB3 -0.08 0.02 -0.14 -0.04 1.64 1.41 1ng9A1 LEU 157 HG 0.02 -0.05 -0.06 -0.04 1.64 1.51 1ng9A1 LEU 157 HD13 -0.05 0.00 -0.22 -0.04 0.93 0.62 1ng9A1 LEU 157 HD23 0.03 -0.01 -0.30 -0.04 0.89 0.56 1ng9A1 SER 158 H 0.13 0.75 0.46 -0.55 8.46 9.25 1ng9A1 SER 158 HA 0.08 0.06 0.51 -0.75 4.49 4.39 1ng9A1 SER 158 HB2 0.09 -0.03 0.16 -0.04 3.95 4.12 1ng9A1 SER 158 HB3 0.10 0.10 0.03 -0.04 3.93 4.11 1ng9A1 GLU 159 H 0.09 0.19 0.05 -0.55 8.60 8.38 1ng9A1 GLU 159 HA 0.18 0.33 0.92 -0.75 4.29 4.97 1ng9A1 GLU 159 HB2 0.08 -0.03 0.16 -0.04 2.09 2.26 1ng9A1 GLU 159 HB3 0.11 0.04 0.17 -0.04 1.99 2.27 1ng9A1 GLU 159 HG2 0.15 0.01 -0.03 -0.04 2.34 2.44 1ng9A1 GLU 159 HG3 0.10 -0.03 -0.29 -0.04 2.34 2.08 1ng9A1 PRO 160 HA 0.04 -0.00 0.38 -0.51 4.44 4.35 1ng9A1 PRO 160 HB2 -0.06 -0.00 -0.06 -0.04 2.28 2.12 1ng9A1 PRO 160 HB3 -0.08 -0.05 -0.20 -0.04 2.02 1.66 1ng9A1 PRO 160 HG2 -0.13 0.08 -0.10 -0.04 2.03 1.84 1ng9A1 PRO 160 HG3 -0.02 0.10 -0.09 -0.04 2.03 1.98 1ng9A1 PRO 160 HD2 0.17 0.13 -0.19 -0.04 3.68 3.76 1ng9A1 PRO 160 HD3 0.14 0.05 -0.57 -0.04 3.65 3.22 1ng9A1 ALA 161 H 0.05 0.08 0.22 -0.55 8.40 8.21 1ng9A1 ALA 161 HA 0.08 0.14 0.42 -0.75 4.34 4.22 1ng9A1 ALA 161 HB3 0.04 0.00 0.16 -0.04 1.41 1.57 1ng9A1 ASP 162 H 0.08 -0.01 0.04 -0.55 8.40 7.95 1ng9A1 ASP 162 HA 0.17 0.37 0.95 -0.75 4.63 5.36 1ng9A1 ASP 162 HB2 0.05 -0.09 0.16 -0.04 2.71 2.79 1ng9A1 ASP 162 HB3 0.04 0.20 -0.09 -0.04 2.70 2.81 1ng9A1 ARG 163 H 0.11 0.25 0.16 -0.55 8.46 8.43 1ng9A1 ARG 163 HA 0.06 0.12 0.36 -0.75 4.34 4.12 1ng9A1 ARG 163 HB2 0.08 0.06 0.15 -0.04 1.90 2.14 1ng9A1 ARG 163 HB3 0.03 -0.01 0.09 -0.04 1.80 1.87 1ng9A1 ARG 163 HG2 -0.00 0.00 -0.05 -0.04 1.67 1.58 1ng9A1 ARG 163 HG3 0.06 0.01 0.03 -0.04 1.67 1.73 1ng9A1 ARG 163 HD2 0.01 0.01 -0.02 -0.04 3.22 3.19 1ng9A1 ARG 163 HD3 0.01 -0.00 -0.07 -0.04 3.22 3.11 1ng9A1 GLU 164 H 0.01 0.08 -0.26 -0.55 8.60 7.89 1ng9A1 GLU 164 HA -0.03 0.14 0.34 -0.75 4.29 3.99 1ng9A1 GLU 164 HB2 0.04 0.02 0.06 -0.04 2.09 2.16 1ng9A1 GLU 164 HB3 0.03 0.03 0.04 -0.04 1.99 2.04 1ng9A1 GLU 164 HG2 0.04 0.06 0.02 -0.04 2.34 2.42 1ng9A1 GLU 164 HG3 0.01 0.03 -0.03 -0.04 2.34 2.31 1ng9A1 THR 165 H -0.03 0.06 -0.13 -0.55 8.28 7.64 1ng9A1 THR 165 HA -0.06 0.17 0.56 -0.75 4.39 4.30 1ng9A1 THR 165 HB -0.03 -0.11 0.12 -0.04 4.32 4.26 1ng9A1 THR 165 HG23 -0.04 0.03 -0.05 -0.04 1.22 1.12 1ng9A1 MET 166 H -0.21 0.43 -0.12 -0.55 8.47 8.03 1ng9A1 MET 166 HA -0.35 0.08 0.48 -0.75 4.52 3.98 1ng9A1 MET 166 HB2 -0.99 0.02 -0.01 -0.04 2.15 1.13 1ng9A1 MET 166 HB3 -0.64 0.10 0.02 -0.04 2.03 1.48 1ng9A1 MET 166 HG2 -1.42 -0.03 -0.08 -0.04 2.63 1.05 1ng9A1 MET 166 HG3 -0.48 0.04 -0.20 -0.04 2.56 1.88 1ng9A1 MET 166 HE3 -0.18 0.01 -0.11 -0.04 2.10 1.78 1ng9A1 ALA 167 H -0.17 0.30 -0.25 -0.55 8.40 7.74 1ng9A1 ALA 167 HA -0.13 0.13 0.52 -0.75 4.34 4.10 1ng9A1 ALA 167 HB3 -0.07 0.03 0.13 -0.04 1.41 1.46 1ng9A1 ALA 168 H -0.09 0.37 -0.16 -0.55 8.40 7.98 1ng9A1 ALA 168 HA -0.05 0.02 0.47 -0.75 4.34 4.02 1ng9A1 ALA 168 HB3 -0.05 0.02 0.20 -0.04 1.41 1.53 1ng9A1 GLU 169 H -0.16 0.18 -0.55 -0.55 8.60 7.52 1ng9A1 GLU 169 HA -0.07 0.15 0.65 -0.75 4.29 4.26 1ng9A1 GLU 169 HB2 -0.31 0.01 0.15 -0.04 2.09 1.91 1ng9A1 GLU 169 HB3 -0.35 -0.01 -0.11 -0.04 1.99 1.48 1ng9A1 GLU 169 HG2 -0.08 0.06 -0.05 -0.04 2.34 2.22 1ng9A1 GLU 169 HG3 -0.10 -0.13 -0.08 -0.04 2.34 1.98 1ng9A1 LEU 170 H -0.25 0.47 -0.01 -0.55 8.37 8.04 1ng9A1 LEU 170 HA -0.08 0.04 0.56 -0.75 4.35 4.12 1ng9A1 LEU 170 HB2 -0.12 0.12 0.16 -0.04 1.64 1.75 1ng9A1 LEU 170 HB3 -0.07 0.04 0.01 -0.04 1.64 1.58 1ng9A1 LEU 170 HG -0.31 0.06 0.08 -0.04 1.64 1.43 1ng9A1 LEU 170 HD13 -0.11 -0.02 -0.06 -0.04 0.93 0.70 1ng9A1 LEU 170 HD23 -0.06 -0.01 -0.05 -0.04 0.89 0.73 1ng9A1 GLN 171 H -0.08 0.24 -0.37 -0.55 8.47 7.72 1ng9A1 GLN 171 HA -0.04 0.08 0.43 -0.75 4.36 4.08 1ng9A1 GLN 171 HB2 -0.03 -0.02 0.10 -0.04 2.15 2.16 1ng9A1 GLN 171 HB3 -0.03 0.09 0.13 -0.04 2.02 2.17 1ng9A1 GLN 171 HG2 0.02 -0.06 -0.01 -0.04 2.40 2.31 1ng9A1 GLN 171 HG3 0.01 0.06 -0.16 -0.04 2.39 2.26 1ng9A1 GLN 171 HE21 0.01 -0.04 -0.01 -0.04 6.97 6.90 1ng9A1 GLN 171 HE22 0.02 0.01 0.04 -0.04 7.69 7.72 1ng9A1 ARG 172 H -0.05 0.21 -0.25 -0.55 8.46 7.82 1ng9A1 ARG 172 HA -0.22 0.04 0.34 -0.75 4.34 3.74 1ng9A1 ARG 172 HB2 0.02 0.04 0.18 -0.04 1.90 2.10 1ng9A1 ARG 172 HB3 -0.01 -0.02 0.17 -0.04 1.80 1.90 1ng9A1 ARG 172 HG2 -0.00 -0.04 -0.23 -0.04 1.67 1.36 1ng9A1 ARG 172 HG3 0.08 0.06 0.06 -0.04 1.67 1.82 1ng9A1 ARG 172 HD2 0.07 0.12 -0.06 -0.04 3.22 3.31 1ng9A1 ARG 172 HD3 0.04 -0.04 0.06 -0.04 3.22 3.24 1ng9A1 THR 173 H -0.01 0.25 -0.28 -0.55 8.28 7.68 1ng9A1 THR 173 HA -0.00 0.12 0.58 -0.75 4.39 4.33 1ng9A1 THR 173 HB 0.10 -0.07 -0.10 -0.04 4.32 4.21 1ng9A1 THR 173 HG23 0.15 -0.02 -0.11 -0.04 1.22 1.20 1ng9A1 ASN 174 H -0.01 0.26 -0.18 -0.55 8.53 8.06 1ng9A1 ASN 174 HA -0.01 0.09 0.32 -0.75 4.76 4.40 1ng9A1 ASN 174 HB2 -0.06 0.14 -0.23 -0.04 2.88 2.68 1ng9A1 ASN 174 HB3 -0.04 0.05 -0.24 -0.04 2.79 2.52 1ng9A1 ASN 174 HD21 -0.01 -0.07 -0.03 -0.04 7.03 6.89 1ng9A1 ASN 174 HD22 -0.03 -0.01 -0.04 -0.04 7.74 7.62 1ng9A1 PRO 175 HA 0.00 0.03 0.38 -0.51 4.44 4.34 1ng9A1 PRO 175 HB2 0.01 0.09 -0.21 -0.04 2.28 2.14 1ng9A1 PRO 175 HB3 0.02 -0.02 -0.18 -0.04 2.02 1.80 1ng9A1 PRO 175 HG2 0.05 0.01 -0.10 -0.04 2.03 1.95 1ng9A1 PRO 175 HG3 0.16 -0.06 -0.08 -0.04 2.03 2.02 1ng9A1 PRO 175 HD2 0.03 0.14 0.13 -0.04 3.68 3.94 1ng9A1 PRO 175 HD3 0.10 -0.01 -0.16 -0.04 3.65 3.53 1ng9A1 ALA 176 H -0.01 0.46 0.31 -0.55 8.40 8.62 1ng9A1 ALA 176 HA -0.00 0.12 0.58 -0.75 4.34 4.28 1ng9A1 ALA 176 HB3 -0.01 -0.02 -0.04 -0.04 1.41 1.30 1ng9A1 GLU 177 H -0.01 0.29 0.13 -0.55 8.60 8.46 1ng9A1 GLU 177 HA -0.02 0.33 0.73 -0.75 4.29 4.57 1ng9A1 GLU 177 HB2 0.00 -0.15 -0.11 -0.04 2.09 1.79 1ng9A1 GLU 177 HB3 -0.03 -0.10 0.14 -0.04 1.99 1.96 1ng9A1 GLU 177 HG2 -0.14 -0.02 -0.13 -0.04 2.34 2.02 1ng9A1 GLU 177 HG3 -0.02 0.24 0.09 -0.04 2.34 2.62 1ng9A1 LEU 178 H -0.02 0.69 0.06 -0.55 8.37 8.55 1ng9A1 LEU 178 HA -0.02 0.13 0.91 -0.75 4.35 4.61 1ng9A1 LEU 178 HB2 0.01 0.08 -0.21 -0.04 1.64 1.48 1ng9A1 LEU 178 HB3 -0.00 0.02 -0.02 -0.04 1.64 1.60 1ng9A1 LEU 178 HG 0.02 -0.10 -0.38 -0.04 1.64 1.13 1ng9A1 LEU 178 HD13 0.12 0.01 -0.25 -0.04 0.93 0.76 1ng9A1 LEU 178 HD23 -0.03 0.00 -0.13 -0.04 0.89 0.69 1ng9A1 LEU 179 H -0.08 0.64 0.22 -0.55 8.37 8.61 1ng9A1 LEU 179 HA -0.09 0.22 0.77 -0.75 4.35 4.50 1ng9A1 LEU 179 HB2 -0.08 -0.10 0.26 -0.04 1.64 1.68 1ng9A1 LEU 179 HB3 -0.15 -0.01 0.04 -0.04 1.64 1.47 1ng9A1 LEU 179 HG -0.36 0.11 0.08 -0.04 1.64 1.44 1ng9A1 LEU 179 HD13 -0.33 -0.03 -0.11 -0.04 0.93 0.43 1ng9A1 LEU 179 HD23 -1.06 -0.00 -0.08 -0.04 0.89 -0.29 1ng9A1 TYR 180 H -0.06 0.55 0.27 -0.55 8.29 8.49 1ng9A1 TYR 180 HA 0.05 0.30 1.00 -0.75 4.56 5.15 1ng9A1 TYR 180 HB2 -0.44 -0.06 -0.04 -0.04 3.06 2.48 1ng9A1 TYR 180 HB3 -0.19 0.05 -0.31 -0.04 2.98 2.49 1ng9A1 TYR 180 HD2 -0.10 0.08 -0.21 -0.04 7.15 6.87 1ng9A1 TYR 180 HE2 -0.00 0.01 -0.15 -0.04 6.85 6.67 1ng9A1 ALA 181 H -0.08 0.25 0.24 -0.55 8.40 8.26 1ng9A1 ALA 181 HA -0.24 0.23 0.42 -0.75 4.34 4.00 1ng9A1 ALA 181 HB3 -0.53 -0.03 0.12 -0.04 1.41 0.92 1ng9A1 GLU 182 H -0.09 0.26 0.20 -0.55 8.60 8.42 1ng9A1 GLU 182 HA -0.07 0.11 0.25 -0.75 4.29 3.83 1ng9A1 GLU 182 HB2 0.00 0.03 0.07 -0.04 2.09 2.15 1ng9A1 GLU 182 HB3 -0.06 0.12 0.09 -0.04 1.99 2.10 1ng9A1 GLU 182 HG2 0.01 -0.10 0.14 -0.04 2.34 2.35 1ng9A1 GLU 182 HG3 0.04 0.05 -0.12 -0.04 2.34 2.27 1ng9A1 ASP 183 H 0.06 0.01 -0.27 -0.55 8.40 7.65 1ng9A1 ASP 183 HA 0.06 0.21 0.66 -0.75 4.63 4.80 1ng9A1 ASP 183 HB2 0.00 0.02 0.15 -0.04 2.71 2.83 1ng9A1 ASP 183 HB3 0.05 -0.06 0.06 -0.04 2.70 2.71 1ng9A1 PHE 184 H 0.29 0.40 -0.47 -0.55 8.34 8.00 1ng9A1 PHE 184 HA -0.05 -0.07 0.33 -0.75 4.62 4.08 1ng9A1 PHE 184 HB2 0.24 0.29 0.05 -0.04 3.15 3.69 1ng9A1 PHE 184 HB3 0.10 0.01 -0.06 -0.04 3.06 3.07 1ng9A1 PHE 184 HD2 0.00 -0.07 -0.29 -0.04 7.28 6.89 1ng9A1 PHE 184 HE2 0.12 0.09 -0.22 -0.04 7.38 7.33 1ng9A1 PHE 184 HZ 0.19 0.04 -0.13 -0.04 7.32 7.38 1ng9A1 ALA 185 H -0.44 0.09 0.17 -0.55 8.40 7.67 1ng9A1 ALA 185 HA -0.07 0.16 0.46 -0.75 4.34 4.14 1ng9A1 ALA 185 HB3 -0.21 0.01 0.06 -0.04 1.41 1.23 1ng9A1 GLU 186 H -0.52 0.09 -0.09 -0.55 8.60 7.53 1ng9A1 GLU 186 HA -0.03 0.15 0.54 -0.75 4.29 4.19 1ng9A1 GLU 186 HB2 -0.14 0.02 0.11 -0.04 2.09 2.04 1ng9A1 GLU 186 HB3 0.08 -0.04 0.16 -0.04 1.99 2.15 1ng9A1 GLU 186 HG2 -0.07 0.03 -0.08 -0.04 2.34 2.19 1ng9A1 GLU 186 HG3 0.02 0.02 0.00 -0.04 2.34 2.34 1ng9A1 MET 187 H 0.05 0.49 -0.02 -0.55 8.47 8.45 1ng9A1 MET 187 HA 0.13 0.09 0.25 -0.75 4.52 4.24 1ng9A1 MET 187 HB2 0.03 0.02 0.03 -0.04 2.15 2.18 1ng9A1 MET 187 HB3 -0.01 -0.01 0.05 -0.04 2.03 2.02 1ng9A1 MET 187 HG2 0.09 0.14 -0.08 -0.04 2.63 2.74 1ng9A1 MET 187 HG3 0.05 0.01 -0.01 -0.04 2.56 2.57 1ng9A1 MET 187 HE3 -0.32 -0.02 -0.06 -0.04 2.10 1.66 1ng9A1 SER 188 H 0.04 0.04 -0.39 -0.55 8.46 7.60 1ng9A1 SER 188 HA 0.00 0.14 0.43 -0.75 4.49 4.30 1ng9A1 SER 188 HB2 0.00 0.06 -0.03 -0.04 3.95 3.95 1ng9A1 SER 188 HB3 0.01 0.02 0.04 -0.04 3.93 3.95 1ng9A1 LEU 189 H 0.07 0.25 -0.29 -0.55 8.37 7.85 1ng9A1 LEU 189 HA -0.02 0.11 0.57 -0.75 4.35 4.26 1ng9A1 LEU 189 HB2 0.13 0.08 -0.00 -0.04 1.64 1.81 1ng9A1 LEU 189 HB3 -0.03 0.04 -0.03 -0.04 1.64 1.58 1ng9A1 LEU 189 HG 0.04 -0.11 -0.01 -0.04 1.64 1.53 1ng9A1 LEU 189 HD13 -0.04 -0.02 -0.03 -0.04 0.93 0.79 1ng9A1 LEU 189 HD23 -0.06 0.00 -0.02 -0.04 0.89 0.78 1ng9A1 ILE 190 H -0.02 0.14 -0.39 -0.55 8.25 7.43 1ng9A1 ILE 190 HA -0.12 0.20 0.44 -0.75 4.18 3.96 1ng9A1 ILE 190 HB -0.20 -0.07 -0.01 -0.04 1.89 1.57 1ng9A1 ILE 190 HG12 -0.71 -0.06 -0.17 -0.04 1.49 0.51 1ng9A1 ILE 190 HG13 -0.27 0.09 -0.15 -0.04 1.21 0.84 1ng9A1 ILE 190 HG23 -0.57 -0.00 -0.23 -0.04 0.93 0.08 1ng9A1 ILE 190 HD13 -0.06 0.03 -0.39 -0.04 0.88 0.42 1ng9A1 GLU 191 H -0.06 0.43 0.12 -0.55 8.60 8.54 1ng9A1 GLU 191 HA -0.07 -0.03 0.40 -0.75 4.29 3.83 1ng9A1 GLU 191 HB2 -0.03 0.03 0.07 -0.04 2.09 2.12 1ng9A1 GLU 191 HB3 -0.02 0.01 -0.08 -0.04 1.99 1.85 1ng9A1 GLU 191 HG2 -0.02 -0.02 0.02 -0.04 2.34 2.27 1ng9A1 GLU 191 HG3 -0.05 0.01 0.06 -0.04 2.34 2.32 1ng9A1 GLY 192 H -0.03 0.09 0.18 -0.55 8.43 8.13 1ng9A1 GLY 192 HA2 -0.01 -0.01 0.31 -0.51 4.01 3.78 1ng9A1 GLY 192 HA3 -0.01 0.03 0.33 -0.51 4.01 3.84 1ng9A1 ARG 193 H -0.04 0.18 -0.29 -0.55 8.46 7.76 1ng9A1 ARG 193 HA -0.02 0.12 0.74 -0.75 4.34 4.43 1ng9A1 ARG 193 HB2 -0.06 0.12 0.05 -0.04 1.90 1.98 1ng9A1 ARG 193 HB3 -0.03 0.07 -0.04 -0.04 1.80 1.75 1ng9A1 ARG 193 HG2 -0.03 -0.01 -0.07 -0.04 1.67 1.52 1ng9A1 ARG 193 HG3 -0.05 0.06 -0.19 -0.04 1.67 1.45 1ng9A1 ARG 193 HD2 -0.05 0.00 -0.01 -0.04 3.22 3.12 1ng9A1 ARG 193 HD3 -0.06 -0.10 -0.02 -0.04 3.22 3.00 1ng9A1 ARG 194 H -0.01 0.16 0.06 -0.55 8.46 8.12 1ng9A1 ARG 194 HA -0.00 0.02 0.39 -0.75 4.34 3.99 1ng9A1 ARG 194 HB2 -0.00 -0.01 0.10 -0.04 1.90 1.95 1ng9A1 ARG 194 HB3 -0.00 -0.02 0.07 -0.04 1.80 1.81 1ng9A1 ARG 194 HG2 -0.01 -0.02 -0.01 -0.04 1.67 1.60 1ng9A1 ARG 194 HG3 -0.00 0.15 -0.08 -0.04 1.67 1.69 1ng9A1 ARG 194 HD2 -0.00 -0.05 0.01 -0.04 3.22 3.14 1ng9A1 ARG 194 HD3 -0.01 -0.00 0.00 -0.04 3.22 3.17 1ng9A1 GLY 195 H 0.00 0.12 0.19 -0.55 8.43 8.20 1ng9A1 GLY 195 HA2 0.01 0.06 0.41 -0.51 4.01 3.98 1ng9A1 GLY 195 HA3 0.00 0.23 0.52 -0.51 4.01 4.25 1ng9A1 LEU 196 H 0.01 0.07 -0.22 -0.55 8.37 7.69 1ng9A1 LEU 196 HA 0.03 0.14 0.51 -0.75 4.35 4.28 1ng9A1 LEU 196 HB2 -0.00 0.27 -0.03 -0.04 1.64 1.83 1ng9A1 LEU 196 HB3 0.04 -0.09 0.04 -0.04 1.64 1.59 1ng9A1 LEU 196 HG 0.16 -0.11 -0.12 -0.04 1.64 1.53 1ng9A1 LEU 196 HD13 -0.11 0.05 -0.05 -0.04 0.93 0.78 1ng9A1 LEU 196 HD23 -0.12 -0.01 -0.07 -0.04 0.89 0.65 1ng9A1 ARG 197 H 0.15 0.40 0.20 -0.55 8.46 8.66 1ng9A1 ARG 197 HA 0.02 0.13 0.93 -0.75 4.34 4.67 1ng9A1 ARG 197 HB2 -0.12 -0.02 -0.01 -0.04 1.90 1.71 1ng9A1 ARG 197 HB3 -0.09 -0.01 -0.06 -0.04 1.80 1.59 1ng9A1 ARG 197 HG2 -0.01 0.12 -0.84 -0.04 1.67 0.90 1ng9A1 ARG 197 HG3 -0.11 -0.06 -0.21 -0.04 1.67 1.26 1ng9A1 ARG 197 HD2 0.08 -0.05 -0.08 -0.04 3.22 3.12 1ng9A1 ARG 197 HD3 0.03 0.04 -0.02 -0.04 3.22 3.23 1ng9A1 ARG 198 H -0.02 0.14 0.08 -0.55 8.46 8.11 1ng9A1 ARG 198 HA -1.05 0.14 0.49 -0.75 4.34 3.16 1ng9A1 ARG 198 HB2 -0.05 -0.01 0.11 -0.04 1.90 1.91 1ng9A1 ARG 198 HB3 -0.10 -0.01 0.08 -0.04 1.80 1.73 1ng9A1 ARG 198 HG2 -0.21 -0.04 -0.11 -0.04 1.67 1.27 1ng9A1 ARG 198 HG3 -0.52 0.04 -0.02 -0.04 1.67 1.13 1ng9A1 ARG 198 HD2 0.11 0.01 -0.00 -0.04 3.22 3.30 1ng9A1 ARG 198 HD3 0.00 -0.01 -0.01 -0.04 3.22 3.16 1ng9A1 ARG 199 H -0.41 0.52 0.37 -0.55 8.46 8.39 1ng9A1 ARG 199 HA -0.14 0.21 0.94 -0.75 4.34 4.60 1ng9A1 ARG 199 HB2 0.04 -0.03 -0.06 -0.04 1.90 1.80 1ng9A1 ARG 199 HB3 -0.10 -0.01 -0.01 -0.04 1.80 1.64 1ng9A1 ARG 199 HG2 -0.14 0.13 -0.47 -0.04 1.67 1.15 1ng9A1 ARG 199 HG3 -0.12 -0.07 -0.07 -0.04 1.67 1.37 1ng9A1 ARG 199 HD2 -0.11 -0.01 -0.05 -0.04 3.22 3.01 1ng9A1 ARG 199 HD3 -0.14 -0.05 0.01 -0.04 3.22 3.00 1ng9A1 PRO 200 HA -0.09 0.04 0.52 -0.51 4.44 4.40 1ng9A1 PRO 200 HB2 -1.22 -0.13 -0.01 -0.04 2.28 0.87 1ng9A1 PRO 200 HB3 -0.11 0.02 0.14 -0.04 2.02 2.04 1ng9A1 PRO 200 HG2 -0.33 0.09 0.08 -0.04 2.03 1.82 1ng9A1 PRO 200 HG3 -0.03 0.10 0.09 -0.04 2.03 2.15 1ng9A1 PRO 200 HD2 -0.33 0.13 0.20 -0.04 3.68 3.65 1ng9A1 PRO 200 HD3 -0.13 0.27 0.21 -0.04 3.65 3.96 1ng9A1 LEU 201 H 0.00 0.17 0.22 -0.55 8.37 8.21 1ng9A1 LEU 201 HA 0.05 0.10 0.53 -0.75 4.35 4.28 1ng9A1 LEU 201 HB2 0.08 0.00 0.18 -0.04 1.64 1.86 1ng9A1 LEU 201 HB3 0.13 0.02 0.11 -0.04 1.64 1.86 1ng9A1 LEU 201 HG 0.17 0.01 -0.07 -0.04 1.64 1.70 1ng9A1 LEU 201 HD13 0.26 -0.01 0.06 -0.04 0.93 1.19 1ng9A1 LEU 201 HD23 0.13 0.01 0.02 -0.04 0.89 1.01 1ng9A1 TRP 202 H 0.06 0.10 -0.12 -0.55 7.97 7.47 1ng9A1 TRP 202 HA 0.03 0.04 0.23 -0.75 4.62 4.16 1ng9A1 TRP 202 HB2 0.01 0.03 0.07 -0.04 3.23 3.29 1ng9A1 TRP 202 HB3 0.02 -0.00 0.08 -0.04 3.23 3.29 1ng9A1 TRP 202 HD1 0.02 -0.05 0.04 -0.04 7.22 7.20 1ng9A1 TRP 202 HE1 0.01 0.05 0.01 -0.04 10.20 10.24 1ng9A1 TRP 202 HE3 -0.02 -0.05 -0.37 -0.04 7.59 7.10 1ng9A1 TRP 202 HZ2 -0.00 0.06 -0.01 -0.04 7.44 7.44 1ng9A1 TRP 202 HZ3 -0.03 0.03 -0.08 -0.04 7.13 7.01 1ng9A1 TRP 202 HH2 -0.01 0.08 -0.03 -0.04 7.19 7.18 1ng9A1 GLU 203 H -0.69 0.20 -0.55 -0.55 8.60 7.02 1ng9A1 GLU 203 HA -0.23 0.08 0.43 -0.75 4.29 3.82 1ng9A1 GLU 203 HB2 -0.45 0.16 -0.03 -0.04 2.09 1.73 1ng9A1 GLU 203 HB3 -0.50 0.02 0.09 -0.04 1.99 1.55 1ng9A1 GLU 203 HG2 -0.95 0.02 -0.01 -0.04 2.34 1.35 1ng9A1 GLU 203 HG3 -1.97 -0.12 -0.03 -0.04 2.34 0.19 1ng9A1 PHE 204 H 0.07 0.46 -0.47 -0.55 8.34 7.85 1ng9A1 PHE 204 HA -0.33 0.31 0.81 -0.75 4.62 4.66 1ng9A1 PHE 204 HB2 -0.45 0.07 0.06 -0.04 3.15 2.79 1ng9A1 PHE 204 HB3 -1.21 -0.11 0.08 -0.04 3.06 1.78 1ng9A1 PHE 204 HD2 -0.39 -0.02 -0.23 -0.04 7.28 6.60 1ng9A1 PHE 204 HE2 -0.02 0.03 -0.24 -0.04 7.38 7.11 1ng9A1 PHE 204 HZ -0.02 0.05 -0.22 -0.04 7.32 7.09 1ng9A1 GLU 205 H -0.01 0.41 -0.16 -0.55 8.60 8.30 1ng9A1 GLU 205 HA -0.04 0.06 0.60 -0.75 4.29 4.16 1ng9A1 GLU 205 HB2 0.11 0.16 0.16 -0.04 2.09 2.48 1ng9A1 GLU 205 HB3 0.05 -0.09 0.07 -0.04 1.99 1.98 1ng9A1 GLU 205 HG2 0.05 0.03 0.07 -0.04 2.34 2.46 1ng9A1 GLU 205 HG3 0.07 0.05 0.03 -0.04 2.34 2.46 1ng9A1 ILE 206 H -0.02 0.14 0.17 -0.55 8.25 8.00 1ng9A1 ILE 206 HA -0.05 0.14 0.17 -0.75 4.18 3.69 1ng9A1 ILE 206 HB -0.00 0.08 0.08 -0.04 1.89 2.00 1ng9A1 ILE 206 HG12 0.03 0.02 -0.04 -0.04 1.49 1.46 1ng9A1 ILE 206 HG13 0.01 -0.01 -0.23 -0.04 1.21 0.93 1ng9A1 ILE 206 HG23 0.03 0.00 0.06 -0.04 0.93 0.98 1ng9A1 ILE 206 HD13 0.00 0.03 -0.02 -0.04 0.88 0.85 1ng9A1 ASP 207 H 0.01 0.10 -0.03 -0.55 8.40 7.93 1ng9A1 ASP 207 HA 0.01 0.09 0.38 -0.75 4.63 4.36 1ng9A1 ASP 207 HB2 0.02 -0.03 0.05 -0.04 2.71 2.70 1ng9A1 ASP 207 HB3 0.01 0.08 -0.05 -0.04 2.70 2.69 1ng9A1 THR 208 H 0.01 0.09 -0.32 -0.55 8.28 7.51 1ng9A1 THR 208 HA 0.01 0.08 0.49 -0.75 4.39 4.21 1ng9A1 THR 208 HB 0.03 0.10 0.04 -0.04 4.32 4.45 1ng9A1 THR 208 HG23 0.05 0.02 -0.13 -0.04 1.22 1.13 1ng9A1 ALA 209 H -0.03 0.33 -0.23 -0.55 8.40 7.92 1ng9A1 ALA 209 HA -0.05 0.08 0.40 -0.75 4.34 4.01 1ng9A1 ALA 209 HB3 -0.08 0.05 -0.04 -0.04 1.41 1.30 1ng9A1 ARG 210 H -0.01 0.51 -0.09 -0.55 8.46 8.32 1ng9A1 ARG 210 HA 0.01 0.00 0.39 -0.75 4.34 3.99 1ng9A1 ARG 210 HB2 0.01 0.08 0.12 -0.04 1.90 2.07 1ng9A1 ARG 210 HB3 0.02 0.01 -0.06 -0.04 1.80 1.73 1ng9A1 ARG 210 HG2 0.03 -0.05 -0.01 -0.04 1.67 1.60 1ng9A1 ARG 210 HG3 0.01 0.05 -0.01 -0.04 1.67 1.68 1ng9A1 ARG 210 HD2 0.02 -0.01 -0.04 -0.04 3.22 3.15 1ng9A1 ARG 210 HD3 0.03 -0.03 -0.02 -0.04 3.22 3.15 1ng9A1 GLN 211 H -0.00 0.36 -0.34 -0.55 8.47 7.94 1ng9A1 GLN 211 HA 0.00 0.05 0.41 -0.75 4.36 4.07 1ng9A1 GLN 211 HB2 0.00 0.03 0.12 -0.04 2.15 2.26 1ng9A1 GLN 211 HB3 -0.01 0.08 0.16 -0.04 2.02 2.21 1ng9A1 GLN 211 HG2 -0.00 -0.01 0.02 -0.04 2.40 2.37 1ng9A1 GLN 211 HG3 -0.00 -0.04 -0.01 -0.04 2.39 2.30 1ng9A1 GLN 211 HE21 -0.01 0.02 -0.08 -0.04 6.97 6.86 1ng9A1 GLN 211 HE22 -0.01 -0.01 -0.06 -0.04 7.69 7.57 1ng9A1 GLN 212 H -0.03 0.58 -0.05 -0.55 8.47 8.42 1ng9A1 GLN 212 HA -0.05 0.03 0.41 -0.75 4.36 4.00 1ng9A1 GLN 212 HB2 -0.05 0.05 0.14 -0.04 2.15 2.26 1ng9A1 GLN 212 HB3 -0.06 -0.00 -0.01 -0.04 2.02 1.91 1ng9A1 GLN 212 HG2 -0.02 0.01 0.07 -0.04 2.40 2.42 1ng9A1 GLN 212 HG3 -0.01 -0.02 -0.01 -0.04 2.39 2.31 1ng9A1 GLN 212 HE21 -0.02 0.01 -0.04 -0.04 6.97 6.88 1ng9A1 GLN 212 HE22 -0.02 -0.05 -0.10 -0.04 7.69 7.49 1ng9A1 LEU 213 H -0.07 0.59 -0.22 -0.55 8.37 8.12 1ng9A1 LEU 213 HA -0.39 0.09 0.35 -0.75 4.35 3.65 1ng9A1 LEU 213 HB2 -0.04 0.02 0.01 -0.04 1.64 1.59 1ng9A1 LEU 213 HB3 -0.10 -0.05 -0.12 -0.04 1.64 1.33 1ng9A1 LEU 213 HG -0.07 0.03 -0.07 -0.04 1.64 1.48 1ng9A1 LEU 213 HD13 -0.03 -0.03 -0.24 -0.04 0.93 0.59 1ng9A1 LEU 213 HD23 -0.00 0.02 -0.14 -0.04 0.89 0.73 1ng9A1 ASN 214 H -0.02 0.48 -0.20 -0.55 8.53 8.25 1ng9A1 ASN 214 HA 0.16 -0.07 0.39 -0.75 4.76 4.49 1ng9A1 ASN 214 HB2 0.03 0.16 0.13 -0.04 2.88 3.16 1ng9A1 ASN 214 HB3 0.06 0.24 -0.05 -0.04 2.79 3.00 1ng9A1 ASN 214 HD21 0.08 -0.31 -0.07 -0.04 7.03 6.68 1ng9A1 ASN 214 HD22 0.04 0.39 -0.02 -0.04 7.74 8.12 1ng9A1 LEU 215 H -0.05 0.41 -0.29 -0.55 8.37 7.90 1ng9A1 LEU 215 HA 0.00 0.02 0.43 -0.75 4.35 4.05 1ng9A1 LEU 215 HB2 -0.02 0.04 0.11 -0.04 1.64 1.73 1ng9A1 LEU 215 HB3 -0.06 0.12 0.16 -0.04 1.64 1.83 1ng9A1 LEU 215 HG -0.02 0.03 -0.15 -0.04 1.64 1.46 1ng9A1 LEU 215 HD13 -0.00 -0.02 0.01 -0.04 0.93 0.88 1ng9A1 LEU 215 HD23 -0.02 -0.02 -0.03 -0.04 0.89 0.78 1ng9A1 GLN 216 H -0.18 0.49 -0.13 -0.55 8.47 8.10 1ng9A1 GLN 216 HA -0.09 -0.01 0.34 -0.75 4.36 3.85 1ng9A1 GLN 216 HB2 -0.22 -0.02 0.13 -0.04 2.15 1.99 1ng9A1 GLN 216 HB3 -0.65 0.03 0.15 -0.04 2.02 1.51 1ng9A1 GLN 216 HG2 -0.25 -0.09 0.00 -0.04 2.40 2.02 1ng9A1 GLN 216 HG3 -0.23 0.16 -0.14 -0.04 2.39 2.14 1ng9A1 GLN 216 HE21 0.03 -0.10 0.07 -0.04 6.97 6.93 1ng9A1 GLN 216 HE22 0.05 0.34 0.17 -0.04 7.69 8.20 1ng9A1 PHE 217 H -0.18 0.36 -0.31 -0.55 8.34 7.65 1ng9A1 PHE 217 HA 0.04 0.18 0.53 -0.75 4.62 4.62 1ng9A1 PHE 217 HB2 0.10 -0.08 0.02 -0.04 3.15 3.15 1ng9A1 PHE 217 HB3 0.20 -0.03 0.02 -0.04 3.06 3.21 1ng9A1 PHE 217 HD2 -0.14 0.01 -0.27 -0.04 7.28 6.84 1ng9A1 PHE 217 HE2 -0.16 -0.04 -0.28 -0.04 7.38 6.86 1ng9A1 PHE 217 HZ -0.09 0.01 -0.28 -0.04 7.32 6.91 1ng9A1 GLY 218 H 0.10 0.37 -0.45 -0.55 8.43 7.90 1ng9A1 GLY 218 HA2 0.08 0.02 0.31 -0.51 4.01 3.90 1ng9A1 GLY 218 HA3 0.11 0.00 0.53 -0.51 4.01 4.14 1ng9A1 THR 219 H 0.20 0.27 -0.10 -0.55 8.28 8.10 1ng9A1 THR 219 HA 0.09 0.16 0.94 -0.75 4.39 4.83 1ng9A1 THR 219 HB 0.11 -0.11 0.12 -0.04 4.32 4.41 1ng9A1 THR 219 HG23 0.17 0.03 -0.13 -0.04 1.22 1.26 1ng9A1 ARG 220 H 0.05 0.08 0.16 -0.55 8.46 8.20 1ng9A1 ARG 220 HA 0.04 0.16 0.62 -0.75 4.34 4.40 1ng9A1 ARG 220 HB2 0.02 -0.08 0.17 -0.04 1.90 1.97 1ng9A1 ARG 220 HB3 0.02 -0.02 -0.01 -0.04 1.80 1.76 1ng9A1 ARG 220 HG2 0.03 0.08 -0.02 -0.04 1.67 1.72 1ng9A1 ARG 220 HG3 0.02 0.01 0.05 -0.04 1.67 1.70 1ng9A1 ARG 220 HD2 0.01 -0.04 0.01 -0.04 3.22 3.16 1ng9A1 ARG 220 HD3 0.02 -0.00 0.01 -0.04 3.22 3.21 1ng9A1 ASP 221 H 0.05 0.10 0.12 -0.55 8.40 8.12 1ng9A1 ASP 221 HA 0.07 0.28 0.57 -0.75 4.63 4.80 1ng9A1 ASP 221 HB2 0.04 -0.11 0.13 -0.04 2.71 2.73 1ng9A1 ASP 221 HB3 0.03 0.15 -0.04 -0.04 2.70 2.80 1ng9A1 LEU 222 H 0.09 0.19 0.05 -0.55 8.37 8.16 1ng9A1 LEU 222 HA 0.32 0.29 0.65 -0.75 4.35 4.86 1ng9A1 LEU 222 HB2 0.13 -0.06 -0.08 -0.04 1.64 1.59 1ng9A1 LEU 222 HB3 0.29 0.04 0.01 -0.04 1.64 1.94 1ng9A1 LEU 222 HG 0.15 -0.06 -0.15 -0.04 1.64 1.53 1ng9A1 LEU 222 HD13 0.08 0.02 -0.14 -0.04 0.93 0.85 1ng9A1 LEU 222 HD23 0.33 0.04 -0.31 -0.04 0.89 0.91 1ng9A1 VAL 223 H 0.02 0.14 -0.36 -0.55 8.24 7.48 1ng9A1 VAL 223 HA 0.00 -0.02 0.43 -0.75 4.13 3.79 1ng9A1 VAL 223 HB -0.04 0.00 0.08 -0.04 2.12 2.13 1ng9A1 VAL 223 HG13 -0.03 0.04 -0.12 -0.04 0.97 0.81 1ng9A1 VAL 223 HG23 0.00 0.00 0.02 -0.04 0.95 0.93 1ng9A1 GLY 224 H -0.16 0.13 -0.12 -0.55 8.43 7.73 1ng9A1 GLY 224 HA2 -0.17 0.07 0.32 -0.51 4.01 3.72 1ng9A1 GLY 224 HA3 -0.38 0.09 0.27 -0.51 4.01 3.49 1ng9A1 PHE 225 H -0.11 0.11 -0.52 -0.55 8.34 7.26 1ng9A1 PHE 225 HA -0.08 0.23 0.77 -0.75 4.62 4.78 1ng9A1 PHE 225 HB2 -0.09 -0.12 0.03 -0.04 3.15 2.93 1ng9A1 PHE 225 HB3 -0.16 0.34 0.21 -0.04 3.06 3.41 1ng9A1 PHE 225 HD2 -0.12 -0.03 0.04 -0.04 7.28 7.13 1ng9A1 PHE 225 HE2 -0.08 0.07 0.01 -0.04 7.38 7.34 1ng9A1 PHE 225 HZ -0.10 0.18 0.00 -0.04 7.32 7.36 1ng9A1 GLY 226 H 0.02 0.40 -0.06 -0.55 8.43 8.24 1ng9A1 GLY 226 HA2 0.01 0.02 0.34 -0.51 4.01 3.87 1ng9A1 GLY 226 HA3 0.02 0.15 0.59 -0.51 4.01 4.26 1ng9A1 VAL 227 H 0.08 0.21 -0.03 -0.55 8.24 7.94 1ng9A1 VAL 227 HA 0.03 0.24 0.90 -0.75 4.13 4.54 1ng9A1 VAL 227 HB 0.00 -0.03 -0.03 -0.04 2.12 2.02 1ng9A1 VAL 227 HG13 -0.01 0.07 -0.42 -0.04 0.97 0.56 1ng9A1 VAL 227 HG23 0.06 0.01 -0.26 -0.04 0.95 0.72 1ng9A1 GLU 228 H 0.05 0.18 -0.04 -0.55 8.60 8.24 1ng9A1 GLU 228 HA 0.05 0.07 0.35 -0.75 4.29 4.01 1ng9A1 GLU 228 HB2 0.04 -0.12 -0.29 -0.04 2.09 1.68 1ng9A1 GLU 228 HB3 0.03 0.03 -0.01 -0.04 1.99 1.99 1ng9A1 GLU 228 HG2 0.02 0.03 -0.07 -0.04 2.34 2.27 1ng9A1 GLU 228 HG3 0.03 0.08 -0.18 -0.04 2.34 2.22 1ng9A1 ASN 229 H 0.03 0.07 -0.28 -0.55 8.53 7.81 1ng9A1 ASN 229 HA 0.03 0.05 0.37 -0.75 4.76 4.45 1ng9A1 ASN 229 HB2 0.02 0.03 -0.11 -0.04 2.88 2.79 1ng9A1 ASN 229 HB3 0.03 0.02 -0.12 -0.04 2.79 2.68 1ng9A1 ASN 229 HD21 0.01 0.01 -0.01 -0.04 7.03 7.00 1ng9A1 ASN 229 HD22 0.01 0.06 -0.03 -0.04 7.74 7.74 1ng9A1 ALA 230 H 0.04 0.49 -0.73 -0.55 8.40 7.65 1ng9A1 ALA 230 HA 0.06 0.19 0.60 -0.75 4.34 4.44 1ng9A1 ALA 230 HB3 0.04 0.02 -0.01 -0.04 1.41 1.42 1ng9A1 PRO 231 HA 0.05 0.07 0.32 -0.51 4.44 4.37 1ng9A1 PRO 231 HB2 0.11 0.01 -0.01 -0.04 2.28 2.35 1ng9A1 PRO 231 HB3 0.06 -0.00 0.04 -0.04 2.02 2.08 1ng9A1 PRO 231 HG2 0.06 0.04 0.04 -0.04 2.03 2.14 1ng9A1 PRO 231 HG3 0.05 0.08 0.00 -0.04 2.03 2.12 1ng9A1 PRO 231 HD2 0.07 0.11 0.20 -0.04 3.68 4.01 1ng9A1 PRO 231 HD3 0.05 0.27 -0.49 -0.04 3.65 3.44 1ng9A1 ARG 232 H 0.15 0.17 -0.16 -0.55 8.46 8.07 1ng9A1 ARG 232 HA 0.49 0.04 0.30 -0.75 4.34 4.41 1ng9A1 ARG 232 HB2 0.17 -0.02 0.04 -0.04 1.90 2.05 1ng9A1 ARG 232 HB3 0.25 0.18 -0.08 -0.04 1.80 2.10 1ng9A1 ARG 232 HG2 0.32 -0.04 -0.31 -0.04 1.67 1.60 1ng9A1 ARG 232 HG3 0.21 -0.06 -0.10 -0.04 1.67 1.67 1ng9A1 ARG 232 HD2 0.12 0.36 -0.16 -0.04 3.22 3.50 1ng9A1 ARG 232 HD3 -0.01 -0.11 -0.50 -0.04 3.22 2.55 1ng9A1 GLY 233 H 0.15 0.13 -0.21 -0.55 8.43 7.95 1ng9A1 GLY 233 HA2 0.19 -0.05 0.56 -0.51 4.01 4.20 1ng9A1 GLY 233 HA3 0.10 0.09 0.26 -0.51 4.01 3.95 1ng9A1 LEU 234 H 0.05 0.56 -0.08 -0.55 8.37 8.35 1ng9A1 LEU 234 HA -0.04 0.02 0.26 -0.75 4.35 3.84 1ng9A1 LEU 234 HB2 0.01 0.03 0.07 -0.04 1.64 1.72 1ng9A1 LEU 234 HB3 -0.02 -0.06 -0.13 -0.04 1.64 1.39 1ng9A1 LEU 234 HG 0.02 0.18 -0.09 -0.04 1.64 1.70 1ng9A1 LEU 234 HD13 0.03 -0.03 -0.15 -0.04 0.93 0.74 1ng9A1 LEU 234 HD23 -0.01 -0.02 -0.16 -0.04 0.89 0.66 1ng9A1 CYS 235 H -0.03 0.58 -0.31 -0.55 8.50 8.19 1ng9A1 CYS 235 HA -0.20 -0.01 0.26 -0.75 4.58 3.88 1ng9A1 CYS 235 HB2 -0.46 0.12 0.09 -0.04 2.97 2.67 1ng9A1 CYS 235 HB3 -0.75 0.02 0.01 -0.04 2.97 2.21 1ng9A1 ALA 236 H 0.01 0.33 -0.20 -0.55 8.40 8.00 1ng9A1 ALA 236 HA -0.02 0.03 0.39 -0.75 4.34 3.99 1ng9A1 ALA 236 HB3 0.22 0.04 -0.17 -0.04 1.41 1.46 1ng9A1 ALA 237 H -0.02 0.60 -0.14 -0.55 8.40 8.30 1ng9A1 ALA 237 HA 0.13 0.01 0.31 -0.75 4.34 4.03 1ng9A1 ALA 237 HB3 -0.11 0.02 -0.03 -0.04 1.41 1.24 1ng9A1 GLY 238 H -0.12 0.45 -0.42 -0.55 8.43 7.79 1ng9A1 GLY 238 HA2 -0.06 0.01 0.44 -0.51 4.01 3.89 1ng9A1 GLY 238 HA3 -0.14 0.00 0.28 -0.51 4.01 3.65 1ng9A1 CYS 239 H -0.43 0.46 0.04 -0.55 8.50 8.02 1ng9A1 CYS 239 HA -0.36 -0.00 0.48 -0.75 4.58 3.94 1ng9A1 CYS 239 HB2 -1.46 0.12 0.01 -0.04 2.97 1.59 1ng9A1 CYS 239 HB3 -0.80 0.09 0.15 -0.04 2.97 2.37 1ng9A1 LEU 240 H -0.17 0.60 -0.24 -0.55 8.37 8.02 1ng9A1 LEU 240 HA -0.10 0.02 0.27 -0.75 4.35 3.79 1ng9A1 LEU 240 HB2 -0.03 0.09 -0.04 -0.04 1.64 1.62 1ng9A1 LEU 240 HB3 0.05 0.12 -0.02 -0.04 1.64 1.74 1ng9A1 LEU 240 HG -0.15 -0.01 -0.27 -0.04 1.64 1.17 1ng9A1 LEU 240 HD13 -0.10 -0.03 -0.40 -0.04 0.93 0.37 1ng9A1 LEU 240 HD23 0.06 -0.01 -0.40 -0.04 0.89 0.49 1ng9A1 LEU 241 H -0.02 0.52 -0.19 -0.55 8.37 8.13 1ng9A1 LEU 241 HA -0.15 0.01 0.36 -0.75 4.35 3.82 1ng9A1 LEU 241 HB2 0.05 0.05 0.09 -0.04 1.64 1.79 1ng9A1 LEU 241 HB3 -0.03 0.09 0.12 -0.04 1.64 1.78 1ng9A1 LEU 241 HG -0.08 -0.05 -0.18 -0.04 1.64 1.29 1ng9A1 LEU 241 HD13 -0.13 -0.00 0.02 -0.04 0.93 0.78 1ng9A1 LEU 241 HD23 -0.12 -0.01 -0.15 -0.04 0.89 0.57 1ng9A1 GLN 242 H -0.07 0.54 -0.22 -0.55 8.47 8.17 1ng9A1 GLN 242 HA -0.03 0.00 0.39 -0.75 4.36 3.97 1ng9A1 GLN 242 HB2 -0.08 0.16 0.17 -0.04 2.15 2.36 1ng9A1 GLN 242 HB3 -0.02 -0.05 0.01 -0.04 2.02 1.92 1ng9A1 GLN 242 HG2 0.02 -0.04 0.01 -0.04 2.40 2.36 1ng9A1 GLN 242 HG3 -0.03 -0.00 -0.01 -0.04 2.39 2.31 1ng9A1 GLN 242 HE21 0.00 -0.09 -0.04 -0.04 6.97 6.79 1ng9A1 GLN 242 HE22 -0.11 0.08 0.00 -0.04 7.69 7.62 1ng9A1 TYR 243 H 0.05 0.53 -0.20 -0.55 8.29 8.12 1ng9A1 TYR 243 HA -0.07 0.00 0.37 -0.75 4.56 4.12 1ng9A1 TYR 243 HB2 -0.11 0.08 0.10 -0.04 3.06 3.09 1ng9A1 TYR 243 HB3 -0.10 0.12 0.08 -0.04 2.98 3.04 1ng9A1 TYR 243 HD2 -0.07 0.00 -0.11 -0.04 7.15 6.94 1ng9A1 TYR 243 HE2 -0.04 -0.04 -0.09 -0.04 6.85 6.64 1ng9A1 ALA 244 H 0.01 0.49 -0.14 -0.55 8.40 8.22 1ng9A1 ALA 244 HA -0.05 0.00 0.37 -0.75 4.34 3.92 1ng9A1 ALA 244 HB3 -0.09 0.03 0.10 -0.04 1.41 1.41 1ng9A1 LYS 245 H -0.06 0.66 -0.06 -0.55 8.42 8.40 1ng9A1 LYS 245 HA -0.05 0.03 0.43 -0.75 4.32 3.97 1ng9A1 LYS 245 HB2 -0.04 0.09 0.15 -0.04 1.87 2.03 1ng9A1 LYS 245 HB3 -0.04 -0.05 0.01 -0.04 1.79 1.66 1ng9A1 LYS 245 HG2 -0.05 -0.02 0.05 -0.04 1.46 1.40 1ng9A1 LYS 245 HG3 -0.06 0.13 0.09 -0.04 1.46 1.58 1ng9A1 LYS 245 HD2 -0.07 -0.03 -0.05 -0.04 1.69 1.51 1ng9A1 LYS 245 HD3 -0.04 -0.03 -0.06 -0.04 1.68 1.51 1ng9A1 LYS 245 HE2 -0.03 -0.00 -0.03 -0.04 2.99 2.88 1ng9A1 LYS 245 HE3 -0.04 0.00 -0.02 -0.04 2.99 2.89 1ng9A1 ASP 246 H -0.08 0.47 -0.26 -0.55 8.40 7.98 1ng9A1 ASP 246 HA -0.05 0.00 0.41 -0.75 4.63 4.24 1ng9A1 ASP 246 HB2 -0.05 0.01 0.11 -0.04 2.71 2.74 1ng9A1 ASP 246 HB3 -0.19 0.10 0.14 -0.04 2.70 2.71 1ng9A1 THR 247 H -0.21 0.50 -0.10 -0.55 8.28 7.93 1ng9A1 THR 247 HA -0.18 -0.04 0.50 -0.75 4.39 3.92 1ng9A1 THR 247 HB -0.16 0.24 0.19 -0.04 4.32 4.55 1ng9A1 THR 247 HG23 -0.50 0.01 0.00 -0.04 1.22 0.68 1ng9A1 GLN 248 H -0.09 0.45 -0.03 -0.55 8.47 8.26 1ng9A1 GLN 248 HA -0.06 0.05 0.62 -0.75 4.36 4.21 1ng9A1 GLN 248 HB2 -0.05 0.02 0.12 -0.04 2.15 2.20 1ng9A1 GLN 248 HB3 -0.05 -0.02 0.03 -0.04 2.02 1.93 1ng9A1 GLN 248 HG2 -0.05 0.14 0.08 -0.04 2.40 2.54 1ng9A1 GLN 248 HG3 -0.03 -0.05 -0.01 -0.04 2.39 2.27 1ng9A1 GLN 248 HE21 -0.06 0.05 -0.05 -0.04 6.97 6.87 1ng9A1 GLN 248 HE22 -0.08 -0.05 -0.07 -0.04 7.69 7.45 1ng9A1 ARG 249 H -0.05 0.50 0.06 -0.55 8.46 8.41 1ng9A1 ARG 249 HA -0.03 0.01 0.35 -0.75 4.34 3.92 1ng9A1 ARG 249 HB2 -0.03 0.34 -0.34 -0.04 1.90 1.83 1ng9A1 ARG 249 HB3 -0.01 -0.13 0.27 -0.04 1.80 1.89 1ng9A1 ARG 249 HG2 -0.01 -0.16 0.05 -0.04 1.67 1.51 1ng9A1 ARG 249 HG3 -0.03 0.16 -0.01 -0.04 1.67 1.75 1ng9A1 ARG 249 HD2 -0.01 -0.03 -0.42 -0.04 3.22 2.72 1ng9A1 ARG 249 HD3 0.01 0.00 -0.01 -0.04 3.22 3.18 1ng9A1 THR 250 H -0.04 0.15 -0.19 -0.55 8.28 7.66 1ng9A1 THR 250 HA -0.02 0.06 0.56 -0.75 4.39 4.24 1ng9A1 THR 250 HB -0.04 -0.09 0.16 -0.04 4.32 4.31 1ng9A1 THR 250 HG23 -0.02 0.07 -0.10 -0.04 1.22 1.12 1ng9A1 THR 251 H -0.03 0.08 0.12 -0.55 8.28 7.90 1ng9A1 THR 251 HA -0.02 0.06 0.57 -0.75 4.39 4.24 1ng9A1 THR 251 HB -0.01 -0.00 0.07 -0.04 4.32 4.34 1ng9A1 THR 251 HG23 -0.01 -0.00 0.03 -0.04 1.22 1.19 1ng9A1 LEU 252 H -0.01 0.13 0.05 -0.55 8.37 8.00 1ng9A1 LEU 252 HA -0.07 0.23 0.77 -0.75 4.35 4.52 1ng9A1 LEU 252 HB2 0.03 0.01 0.19 -0.04 1.64 1.83 1ng9A1 LEU 252 HB3 0.18 -0.04 0.10 -0.04 1.64 1.83 1ng9A1 LEU 252 HG -0.02 0.12 -0.31 -0.04 1.64 1.39 1ng9A1 LEU 252 HD13 -0.03 -0.02 -0.09 -0.04 0.93 0.75 1ng9A1 LEU 252 HD23 0.01 0.02 -0.09 -0.04 0.89 0.79 1ng9A1 PRO 253 HA 0.06 0.15 0.26 -0.51 4.44 4.40 1ng9A1 PRO 253 HB2 0.02 0.01 -0.02 -0.04 2.28 2.25 1ng9A1 PRO 253 HB3 0.01 0.01 0.06 -0.04 2.02 2.05 1ng9A1 PRO 253 HG2 -0.08 -0.02 0.03 -0.04 2.03 1.93 1ng9A1 PRO 253 HG3 -0.06 0.07 0.04 -0.04 2.03 2.04 1ng9A1 PRO 253 HD2 -0.16 0.27 -0.01 -0.04 3.68 3.74 1ng9A1 PRO 253 HD3 -0.05 0.04 -0.38 -0.04 3.65 3.22 1ng9A1 HIS 254 H 0.21 0.12 -0.44 -0.55 8.41 7.76 1ng9A1 HIS 254 HA 0.02 0.09 0.48 -0.75 4.63 4.46 1ng9A1 HIS 254 HB2 -0.01 0.04 0.00 -0.04 3.26 3.26 1ng9A1 HIS 254 HB3 -0.02 -0.01 0.01 -0.04 3.20 3.13 1ng9A1 HIS 254 HD2 -0.04 -0.11 -0.05 -0.04 6.97 6.73 1ng9A1 HIS 254 HE1 -0.06 -0.02 -0.05 -0.04 7.75 7.58 1ng9A1 ILE 255 H 0.19 0.45 -0.49 -0.55 8.25 7.85 1ng9A1 ILE 255 HA 0.01 0.18 0.88 -0.75 4.18 4.49 1ng9A1 ILE 255 HB 0.05 0.13 0.22 -0.04 1.89 2.26 1ng9A1 ILE 255 HG12 -0.27 0.01 -0.03 -0.04 1.49 1.16 1ng9A1 ILE 255 HG13 -0.35 -0.10 -0.27 -0.04 1.21 0.45 1ng9A1 ILE 255 HG23 0.10 -0.00 0.00 -0.04 0.93 0.99 1ng9A1 ILE 255 HD13 -0.13 -0.01 -0.02 -0.04 0.88 0.67 1ng9A1 ARG 256 H 0.09 0.20 -0.06 -0.55 8.46 8.13 1ng9A1 ARG 256 HA 0.27 0.26 0.72 -0.75 4.34 4.83 1ng9A1 ARG 256 HB2 0.11 -0.03 0.16 -0.04 1.90 2.11 1ng9A1 ARG 256 HB3 0.11 0.15 -0.01 -0.04 1.80 2.02 1ng9A1 ARG 256 HG2 0.06 0.04 -0.05 -0.04 1.67 1.68 1ng9A1 ARG 256 HG3 0.05 -0.04 -0.18 -0.04 1.67 1.46 1ng9A1 ARG 256 HD2 0.06 -0.03 -0.02 -0.04 3.22 3.19 1ng9A1 ARG 256 HD3 0.07 -0.05 0.01 -0.04 3.22 3.21 1ng9A1 SER 257 H 0.02 0.26 -0.05 -0.55 8.46 8.14 1ng9A1 SER 257 HA -1.24 0.06 0.62 -0.75 4.49 3.18 1ng9A1 SER 257 HB2 -0.04 0.06 -0.43 -0.04 3.95 3.49 1ng9A1 SER 257 HB3 -0.08 -0.00 -0.11 -0.04 3.93 3.69 1ng9A1 ILE 258 H -0.86 0.24 0.19 -0.55 8.25 7.27 1ng9A1 ILE 258 HA -0.21 0.33 0.63 -0.75 4.18 4.18 1ng9A1 ILE 258 HB -0.41 0.06 -0.19 -0.04 1.89 1.31 1ng9A1 ILE 258 HG12 -0.35 -0.04 -0.31 -0.04 1.49 0.75 1ng9A1 ILE 258 HG13 -0.70 0.10 -0.29 -0.04 1.21 0.28 1ng9A1 ILE 258 HG23 -0.44 -0.03 -0.18 -0.04 0.93 0.24 1ng9A1 ILE 258 HD13 -0.96 -0.01 -0.21 -0.04 0.88 -0.34 1ng9A1 THR 259 H -0.12 0.51 0.29 -0.55 8.28 8.41 1ng9A1 THR 259 HA -0.02 0.25 1.02 -0.75 4.39 4.88 1ng9A1 THR 259 HB -0.01 -0.02 0.06 -0.04 4.32 4.32 1ng9A1 THR 259 HG23 0.01 0.06 0.03 -0.04 1.22 1.27 1ng9A1 MET 260 H -0.01 0.23 0.14 -0.55 8.47 8.29 1ng9A1 MET 260 HA -0.00 0.24 0.87 -0.75 4.52 4.87 1ng9A1 MET 260 HB2 0.01 -0.07 -0.00 -0.04 2.15 2.04 1ng9A1 MET 260 HB3 0.01 0.06 0.11 -0.04 2.03 2.17 1ng9A1 MET 260 HG2 0.01 -0.08 -0.32 -0.04 2.63 2.20 1ng9A1 MET 260 HG3 0.02 0.07 -0.13 -0.04 2.56 2.48 1ng9A1 MET 260 HE3 0.04 -0.03 -0.09 -0.04 2.10 1.99 1ng9A1 GLU 261 H 0.03 0.61 0.35 -0.55 8.60 9.04 1ng9A1 GLU 261 HA 0.01 0.13 0.84 -0.75 4.29 4.52 1ng9A1 GLU 261 HB2 0.05 -0.03 0.15 -0.04 2.09 2.21 1ng9A1 GLU 261 HB3 0.03 0.06 -0.02 -0.04 1.99 2.02 1ng9A1 GLU 261 HG2 0.02 0.05 -0.08 -0.04 2.34 2.30 1ng9A1 GLU 261 HG3 0.03 -0.02 -0.25 -0.04 2.34 2.06 1ng9A1 ARG 262 H 0.00 0.20 0.08 -0.55 8.46 8.18 1ng9A1 ARG 262 HA 0.01 0.08 0.61 -0.75 4.34 4.29 1ng9A1 ARG 262 HB2 -0.01 -0.01 0.06 -0.04 1.90 1.90 1ng9A1 ARG 262 HB3 -0.00 -0.06 0.10 -0.04 1.80 1.79 1ng9A1 ARG 262 HG2 0.01 -0.00 -0.08 -0.04 1.67 1.56 1ng9A1 ARG 262 HG3 0.00 0.10 -0.04 -0.04 1.67 1.70 1ng9A1 ARG 262 HD2 -0.00 0.06 0.01 -0.04 3.22 3.25 1ng9A1 ARG 262 HD3 -0.01 -0.03 0.01 -0.04 3.22 3.15 1ng9A1 GLU 263 H 0.00 0.12 0.18 -0.55 8.60 8.36 1ng9A1 GLU 263 HA -0.01 0.12 0.36 -0.75 4.29 4.01 1ng9A1 GLU 263 HB2 -0.01 -0.07 0.20 -0.04 2.09 2.16 1ng9A1 GLU 263 HB3 -0.02 0.10 0.01 -0.04 1.99 2.04 1ng9A1 GLU 263 HG2 -0.01 0.03 0.09 -0.04 2.34 2.41 1ng9A1 GLU 263 HG3 0.01 -0.03 0.09 -0.04 2.34 2.37 1ng9A1 GLN 264 H -0.02 -0.03 -0.22 -0.55 8.47 7.66 1ng9A1 GLN 264 HA -0.05 0.24 0.31 -0.75 4.36 4.10 1ng9A1 GLN 264 HB2 -0.04 0.00 -0.04 -0.04 2.15 2.04 1ng9A1 GLN 264 HB3 -0.06 0.06 0.10 -0.04 2.02 2.08 1ng9A1 GLN 264 HG2 -0.04 0.04 0.02 -0.04 2.40 2.38 1ng9A1 GLN 264 HG3 -0.03 -0.04 0.02 -0.04 2.39 2.30 1ng9A1 GLN 264 HE21 -0.02 -0.01 0.00 -0.04 6.97 6.91 1ng9A1 GLN 264 HE22 -0.03 0.06 -0.01 -0.04 7.69 7.67 1ng9A1 ASP 265 H -0.03 0.25 -0.44 -0.55 8.40 7.64 1ng9A1 ASP 265 HA -0.04 0.05 0.61 -0.75 4.63 4.50 1ng9A1 ASP 265 HB2 -0.02 0.14 0.08 -0.04 2.71 2.86 1ng9A1 ASP 265 HB3 -0.03 0.02 0.11 -0.04 2.70 2.75 1ng9A1 SER 266 H -0.04 0.32 -0.19 -0.55 8.46 8.00 1ng9A1 SER 266 HA -0.05 0.18 0.79 -0.75 4.49 4.65 1ng9A1 SER 266 HB2 -0.02 0.22 -0.04 -0.04 3.95 4.06 1ng9A1 SER 266 HB3 -0.02 -0.10 -0.26 -0.04 3.93 3.51 1ng9A1 ILE 267 H -0.07 0.52 0.06 -0.55 8.25 8.22 1ng9A1 ILE 267 HA -0.11 0.20 0.61 -0.75 4.18 4.13 1ng9A1 ILE 267 HB -0.08 0.05 0.06 -0.04 1.89 1.87 1ng9A1 ILE 267 HG12 -0.26 0.19 -0.21 -0.04 1.49 1.17 1ng9A1 ILE 267 HG13 -0.21 0.03 -0.21 -0.04 1.21 0.78 1ng9A1 ILE 267 HG23 -0.11 -0.06 -0.45 -0.04 0.93 0.27 1ng9A1 ILE 267 HD13 -0.41 -0.02 -0.15 -0.04 0.88 0.26 1ng9A1 ILE 268 H -0.09 0.45 0.28 -0.55 8.25 8.34 1ng9A1 ILE 268 HA -0.07 0.11 0.56 -0.75 4.18 4.02 1ng9A1 ILE 268 HB -0.13 -0.02 0.23 -0.04 1.89 1.93 1ng9A1 ILE 268 HG12 -0.05 -0.05 0.03 -0.04 1.49 1.38 1ng9A1 ILE 268 HG13 -0.06 0.27 0.10 -0.04 1.21 1.48 1ng9A1 ILE 268 HG23 -0.10 -0.05 -0.17 -0.04 0.93 0.57 1ng9A1 ILE 268 HD13 -0.04 -0.06 0.08 -0.04 0.88 0.81 1ng9A1 MET 269 H -0.06 0.31 0.22 -0.55 8.47 8.39 1ng9A1 MET 269 HA -0.16 0.18 1.06 -0.75 4.52 4.84 1ng9A1 MET 269 HB2 -0.03 0.10 0.16 -0.04 2.15 2.34 1ng9A1 MET 269 HB3 -0.05 -0.11 0.02 -0.04 2.03 1.85 1ng9A1 MET 269 HG2 -0.07 -0.11 -0.04 -0.04 2.63 2.37 1ng9A1 MET 269 HG3 -0.07 0.11 -0.33 -0.04 2.56 2.23 1ng9A1 MET 269 HE3 -0.01 0.09 -0.03 -0.04 2.10 2.11 1ng9A1 ASP 270 H -0.18 0.39 0.26 -0.55 8.40 8.32 1ng9A1 ASP 270 HA -0.06 0.11 0.50 -0.75 4.63 4.43 1ng9A1 ASP 270 HB2 0.02 -0.06 0.20 -0.04 2.71 2.82 1ng9A1 ASP 270 HB3 -0.05 0.10 0.15 -0.04 2.70 2.87 1ng9A1 ALA 271 H -0.02 0.15 0.21 -0.55 8.40 8.19 1ng9A1 ALA 271 HA -0.00 0.20 0.40 -0.75 4.34 4.18 1ng9A1 ALA 271 HB3 -0.01 0.02 0.04 -0.04 1.41 1.41 1ng9A1 ALA 272 H 0.01 0.03 -0.22 -0.55 8.40 7.67 1ng9A1 ALA 272 HA 0.01 0.13 0.48 -0.75 4.34 4.21 1ng9A1 ALA 272 HB3 0.02 0.01 0.07 -0.04 1.41 1.46 1ng9A1 THR 273 H 0.00 0.12 -0.20 -0.55 8.28 7.65 1ng9A1 THR 273 HA 0.01 0.00 0.35 -0.75 4.39 3.99 1ng9A1 THR 273 HB -0.03 0.22 0.05 -0.04 4.32 4.52 1ng9A1 THR 273 HG23 -0.03 0.02 -0.19 -0.04 1.22 0.99 1ng9A1 ARG 274 H 0.00 0.40 -0.21 -0.55 8.46 8.10 1ng9A1 ARG 274 HA 0.00 0.05 0.29 -0.75 4.34 3.93 1ng9A1 ARG 274 HB2 0.04 0.07 0.07 -0.04 1.90 2.04 1ng9A1 ARG 274 HB3 0.10 0.02 -0.07 -0.04 1.80 1.81 1ng9A1 ARG 274 HG2 0.11 0.03 0.02 -0.04 1.67 1.78 1ng9A1 ARG 274 HG3 0.03 -0.02 -0.01 -0.04 1.67 1.63 1ng9A1 ARG 274 HD2 0.05 -0.10 -0.02 -0.04 3.22 3.11 1ng9A1 ARG 274 HD3 0.17 0.04 -0.07 -0.04 3.22 3.33 1ng9A1 ARG 275 H 0.02 0.29 -0.33 -0.55 8.46 7.88 1ng9A1 ARG 275 HA 0.03 0.13 0.47 -0.75 4.34 4.22 1ng9A1 ARG 275 HB2 0.02 0.00 0.15 -0.04 1.90 2.03 1ng9A1 ARG 275 HB3 0.02 -0.04 -0.02 -0.04 1.80 1.72 1ng9A1 ARG 275 HG2 0.02 0.17 0.07 -0.04 1.67 1.89 1ng9A1 ARG 275 HG3 0.01 -0.05 0.00 -0.04 1.67 1.60 1ng9A1 ARG 275 HD2 0.04 -0.03 -0.11 -0.04 3.22 3.08 1ng9A1 ARG 275 HD3 0.02 0.02 -0.03 -0.04 3.22 3.19 1ng9A1 ASN 276 H 0.02 0.60 -0.03 -0.55 8.53 8.57 1ng9A1 ASN 276 HA 0.02 0.02 0.41 -0.75 4.76 4.46 1ng9A1 ASN 276 HB2 0.02 0.00 0.08 -0.04 2.88 2.94 1ng9A1 ASN 276 HB3 0.02 0.04 0.04 -0.04 2.79 2.85 1ng9A1 ASN 276 HD21 0.02 -0.09 -0.06 -0.04 7.03 6.85 1ng9A1 ASN 276 HD22 0.02 0.03 -0.13 -0.04 7.74 7.63 1ng9A1 LEU 277 H 0.01 0.54 -0.27 -0.55 8.37 8.11 1ng9A1 LEU 277 HA 0.05 0.04 0.64 -0.75 4.35 4.32 1ng9A1 LEU 277 HB2 -0.02 0.11 -0.04 -0.04 1.64 1.66 1ng9A1 LEU 277 HB3 -0.02 -0.03 -0.03 -0.04 1.64 1.51 1ng9A1 LEU 277 HG 0.00 0.01 -0.07 -0.04 1.64 1.54 1ng9A1 LEU 277 HD13 -0.03 -0.01 -0.17 -0.04 0.93 0.68 1ng9A1 LEU 277 HD23 0.02 -0.01 -0.07 -0.04 0.89 0.79 1ng9A1 GLU 278 H 0.02 0.24 -0.40 -0.55 8.60 7.91 1ng9A1 GLU 278 HA 0.02 0.32 0.36 -0.75 4.29 4.24 1ng9A1 GLU 278 HB2 0.04 0.06 -0.22 -0.04 2.09 1.93 1ng9A1 GLU 278 HB3 0.03 -0.07 -0.00 -0.04 1.99 1.91 1ng9A1 GLU 278 HG2 0.03 0.20 0.06 -0.04 2.34 2.59 1ng9A1 GLU 278 HG3 0.04 0.05 -0.32 -0.04 2.34 2.07 1ng9A1 ILE 279 H -0.02 0.30 0.01 -0.55 8.25 7.98 1ng9A1 ILE 279 HA -0.06 0.03 0.35 -0.75 4.18 3.75 1ng9A1 ILE 279 HB -0.29 -0.01 0.09 -0.04 1.89 1.64 1ng9A1 ILE 279 HG12 -0.12 0.03 -0.10 -0.04 1.49 1.26 1ng9A1 ILE 279 HG13 -0.08 -0.08 -0.22 -0.04 1.21 0.80 1ng9A1 ILE 279 HG23 -0.35 0.03 -0.24 -0.04 0.93 0.33 1ng9A1 ILE 279 HD13 -0.16 0.02 -0.06 -0.04 0.88 0.64 1ng9A1 THR 280 H 0.07 0.13 0.05 -0.55 8.28 7.98 1ng9A1 THR 280 HA 0.04 0.09 0.81 -0.75 4.39 4.58 1ng9A1 THR 280 HB 0.09 0.01 0.11 -0.04 4.32 4.49 1ng9A1 THR 280 HG23 0.16 0.00 -0.12 -0.04 1.22 1.21 1ng9A1 GLN 281 H 0.05 0.04 -0.12 -0.55 8.47 7.90 1ng9A1 GLN 281 HA 0.03 0.31 0.79 -0.75 4.36 4.74 1ng9A1 GLN 281 HB2 0.06 -0.06 -0.19 -0.04 2.15 1.91 1ng9A1 GLN 281 HB3 0.04 -0.04 0.03 -0.04 2.02 2.01 1ng9A1 GLN 281 HG2 0.02 0.02 -0.09 -0.04 2.40 2.31 1ng9A1 GLN 281 HG3 0.02 0.06 -0.03 -0.04 2.39 2.41 1ng9A1 GLN 281 HE21 0.01 -0.02 -0.03 -0.04 6.97 6.89 1ng9A1 GLN 281 HE22 0.03 -0.03 -0.06 -0.04 7.69 7.59 1ng9A1 ASN 282 H 0.02 0.49 -0.01 -0.55 8.53 8.48 1ng9A1 ASN 282 HA 0.02 0.17 0.56 -0.75 4.76 4.76 1ng9A1 ASN 282 HB2 0.02 -0.15 0.11 -0.04 2.88 2.82 1ng9A1 ASN 282 HB3 0.02 0.30 -0.11 -0.04 2.79 2.96 1ng9A1 ASN 282 HD21 0.01 -0.21 -0.16 -0.04 7.03 6.64 1ng9A1 ASN 282 HD22 0.02 0.60 -0.13 -0.04 7.74 8.18 1ng9A1 LEU 283 H 0.02 0.13 0.12 -0.55 8.37 8.09 1ng9A1 LEU 283 HA 0.02 0.21 0.34 -0.75 4.35 4.17 1ng9A1 LEU 283 HB2 0.01 -0.05 0.08 -0.04 1.64 1.64 1ng9A1 LEU 283 HB3 0.01 -0.01 0.05 -0.04 1.64 1.65 1ng9A1 LEU 283 HG 0.02 0.07 0.02 -0.04 1.64 1.71 1ng9A1 LEU 283 HD13 0.01 -0.02 -0.00 -0.04 0.93 0.88 1ng9A1 LEU 283 HD23 0.02 0.00 -0.13 -0.04 0.89 0.74 1ng9A1 ALA 284 H 0.01 0.02 -0.17 -0.55 8.40 7.71 1ng9A1 ALA 284 HA 0.01 0.18 0.64 -0.75 4.34 4.41 1ng9A1 ALA 284 HB3 0.01 -0.01 0.05 -0.04 1.41 1.42 1ng9A1 GLY 285 H 0.01 0.32 -0.65 -0.55 8.43 7.57 1ng9A1 GLY 285 HA2 0.01 0.10 0.23 -0.51 4.01 3.84 1ng9A1 GLY 285 HA3 0.01 0.15 0.62 -0.51 4.01 4.28 1ng9A1 GLY 286 H 0.01 -0.04 -0.41 -0.55 8.43 7.45 1ng9A1 GLY 286 HA2 0.01 0.16 0.31 -0.51 4.01 3.98 1ng9A1 GLY 286 HA3 0.01 -0.06 0.27 -0.51 4.01 3.72 1ng9A1 ALA 287 H 0.01 0.09 0.14 -0.55 8.40 8.09 1ng9A1 ALA 287 HA 0.02 0.33 0.77 -0.75 4.34 4.71 1ng9A1 ALA 287 HB3 0.01 0.02 0.07 -0.04 1.41 1.46 1ng9A1 GLU 288 H 0.01 -0.04 -0.10 -0.55 8.60 7.92 1ng9A1 GLU 288 HA 0.01 0.12 0.48 -0.75 4.29 4.15 1ng9A1 GLU 288 HB2 0.01 -0.01 -0.08 -0.04 2.09 1.98 1ng9A1 GLU 288 HB3 0.01 0.05 0.04 -0.04 1.99 2.05 1ng9A1 GLU 288 HG2 0.01 0.06 -0.00 -0.04 2.34 2.37 1ng9A1 GLU 288 HG3 0.01 -0.00 -0.00 -0.04 2.34 2.30 1ng9A1 ASN 289 H 0.01 0.16 0.11 -0.55 8.53 8.27 1ng9A1 ASN 289 HA 0.02 0.08 0.28 -0.75 4.76 4.39 1ng9A1 ASN 289 HB2 0.02 0.06 -0.26 -0.04 2.88 2.66 1ng9A1 ASN 289 HB3 0.03 -0.01 0.10 -0.04 2.79 2.87 1ng9A1 ASN 289 HD21 0.01 0.03 -0.05 -0.04 7.03 6.98 1ng9A1 ASN 289 HD22 0.01 -0.03 -0.06 -0.04 7.74 7.62 1ng9A1 THR 290 H 0.02 0.03 -0.32 -0.55 8.28 7.46 1ng9A1 THR 290 HA 0.03 0.31 0.70 -0.75 4.39 4.67 1ng9A1 THR 290 HB 0.01 0.14 -0.30 -0.04 4.32 4.13 1ng9A1 THR 290 HG23 0.02 0.06 -0.76 -0.04 1.22 0.50 1ng9A1 LEU 291 H -0.00 0.63 0.29 -0.55 8.37 8.74 1ng9A1 LEU 291 HA -0.01 0.02 0.49 -0.75 4.35 4.09 1ng9A1 LEU 291 HB2 -0.04 0.07 0.09 -0.04 1.64 1.71 1ng9A1 LEU 291 HB3 -0.03 0.11 0.22 -0.04 1.64 1.90 1ng9A1 LEU 291 HG -0.01 -0.02 -0.21 -0.04 1.64 1.36 1ng9A1 LEU 291 HD13 -0.06 -0.01 -0.00 -0.04 0.93 0.82 1ng9A1 LEU 291 HD23 -0.04 0.01 -0.05 -0.04 0.89 0.77 1ng9A1 ALA 292 H 0.00 0.52 0.09 -0.55 8.40 8.46 1ng9A1 ALA 292 HA 0.01 0.04 0.33 -0.75 4.34 3.96 1ng9A1 ALA 292 HB3 0.02 0.02 0.09 -0.04 1.41 1.50 1ng9A1 SER 293 H 0.01 0.04 -0.42 -0.55 8.46 7.55 1ng9A1 SER 293 HA 0.01 0.11 0.41 -0.75 4.49 4.25 1ng9A1 SER 293 HB2 0.01 -0.02 0.08 -0.04 3.95 3.98 1ng9A1 SER 293 HB3 0.01 0.10 0.11 -0.04 3.93 4.11 1ng9A1 VAL 294 H 0.01 0.25 -0.39 -0.55 8.24 7.56 1ng9A1 VAL 294 HA 0.01 0.08 0.50 -0.75 4.13 3.96 1ng9A1 VAL 294 HB 0.02 0.11 0.08 -0.04 2.12 2.29 1ng9A1 VAL 294 HG13 0.04 0.04 -0.10 -0.04 0.97 0.90 1ng9A1 VAL 294 HG23 0.02 -0.01 0.01 -0.04 0.95 0.93 1ng9A1 LEU 295 H 0.02 0.40 -0.02 -0.55 8.37 8.22 1ng9A1 LEU 295 HA 0.03 0.11 0.41 -0.75 4.35 4.15 1ng9A1 LEU 295 HB2 0.03 -0.01 -0.03 -0.04 1.64 1.59 1ng9A1 LEU 295 HB3 0.05 -0.05 0.02 -0.04 1.64 1.61 1ng9A1 LEU 295 HG 0.05 0.10 -0.01 -0.04 1.64 1.73 1ng9A1 LEU 295 HD13 0.05 -0.02 -0.07 -0.04 0.93 0.86 1ng9A1 LEU 295 HD23 0.18 -0.00 -0.11 -0.04 0.89 0.92 1ng9A1 ASP 296 H 0.00 0.39 -0.42 -0.55 8.40 7.82 1ng9A1 ASP 296 HA -0.02 0.04 0.64 -0.75 4.63 4.54 1ng9A1 ASP 296 HB2 -0.01 -0.07 0.03 -0.04 2.71 2.63 1ng9A1 ASP 296 HB3 -0.01 0.22 0.20 -0.04 2.70 3.07 1ng9A1 CYS 297 H -0.02 0.30 -0.02 -0.55 8.50 8.22 1ng9A1 CYS 297 HA -0.02 0.19 0.65 -0.75 4.58 4.65 1ng9A1 CYS 297 HB2 -0.02 -0.00 0.06 -0.04 2.97 2.97 1ng9A1 CYS 297 HB3 -0.01 -0.04 0.13 -0.04 2.97 3.00 1ng9A1 THR 298 H -0.03 0.05 -0.17 -0.55 8.28 7.58 1ng9A1 THR 298 HA -0.04 0.12 0.53 -0.75 4.39 4.24 1ng9A1 THR 298 HB -0.06 -0.16 -0.03 -0.04 4.32 4.04 1ng9A1 THR 298 HG23 -0.08 0.06 -0.21 -0.04 1.22 0.94 1ng9A1 VAL 299 H -0.03 0.07 0.12 -0.55 8.24 7.85 1ng9A1 VAL 299 HA -0.02 0.25 0.74 -0.75 4.13 4.35 1ng9A1 VAL 299 HB -0.01 -0.01 0.11 -0.04 2.12 2.17 1ng9A1 VAL 299 HG13 -0.01 0.02 -0.09 -0.04 0.97 0.84 1ng9A1 VAL 299 HG23 -0.01 0.04 -0.10 -0.04 0.95 0.84 1ng9A1 THR 300 H -0.03 0.02 -0.01 -0.55 8.28 7.70 1ng9A1 THR 300 HA -0.02 0.32 0.75 -0.75 4.39 4.69 1ng9A1 THR 300 HB -0.02 0.08 0.05 -0.04 4.32 4.40 1ng9A1 THR 300 HG23 -0.02 0.03 -0.22 -0.04 1.22 0.97 1ng9A1 PRO 301 HA -0.02 0.10 0.34 -0.51 4.44 4.35 1ng9A1 PRO 301 HB2 -0.02 -0.03 0.06 -0.04 2.28 2.25 1ng9A1 PRO 301 HB3 -0.02 0.18 -0.03 -0.04 2.02 2.11 1ng9A1 PRO 301 HG2 -0.01 0.01 0.06 -0.04 2.03 2.05 1ng9A1 PRO 301 HG3 -0.01 0.08 0.01 -0.04 2.03 2.06 1ng9A1 PRO 301 HD2 -0.02 0.04 -0.07 -0.04 3.68 3.60 1ng9A1 PRO 301 HD3 -0.01 0.26 0.13 -0.04 3.65 3.99 1ng9A1 MET 302 H -0.03 0.14 -0.14 -0.55 8.47 7.90 1ng9A1 MET 302 HA -0.03 0.14 0.32 -0.75 4.52 4.20 1ng9A1 MET 302 HB2 -0.03 0.07 0.03 -0.04 2.15 2.19 1ng9A1 MET 302 HB3 -0.02 -0.08 0.10 -0.04 2.03 1.99 1ng9A1 MET 302 HG2 -0.02 0.04 0.09 -0.04 2.63 2.70 1ng9A1 MET 302 HG3 -0.03 0.04 -0.08 -0.04 2.56 2.44 1ng9A1 MET 302 HE3 -0.00 0.07 -0.02 -0.04 2.10 2.10 1ng9A1 GLY 303 H -0.05 0.08 -0.37 -0.55 8.43 7.55 1ng9A1 GLY 303 HA2 -0.13 0.14 0.50 -0.51 4.01 4.01 1ng9A1 GLY 303 HA3 -0.09 0.01 0.28 -0.51 4.01 3.70 1ng9A1 SER 304 H -0.06 0.39 -0.14 -0.55 8.46 8.11 1ng9A1 SER 304 HA -0.07 0.00 0.40 -0.75 4.49 4.07 1ng9A1 SER 304 HB2 -0.04 0.00 0.03 -0.04 3.95 3.90 1ng9A1 SER 304 HB3 -0.03 0.12 0.15 -0.04 3.93 4.12 1ng9A1 ARG 305 H -0.05 0.46 -0.12 -0.55 8.46 8.20 1ng9A1 ARG 305 HA -0.02 0.09 0.37 -0.75 4.34 4.02 1ng9A1 ARG 305 HB2 -0.04 0.04 0.03 -0.04 1.90 1.90 1ng9A1 ARG 305 HB3 -0.02 -0.04 -0.10 -0.04 1.80 1.60 1ng9A1 ARG 305 HG2 -0.01 0.02 -0.47 -0.04 1.67 1.17 1ng9A1 ARG 305 HG3 -0.02 0.17 -0.04 -0.04 1.67 1.73 1ng9A1 ARG 305 HD2 -0.01 -0.09 -0.38 -0.04 3.22 2.70 1ng9A1 ARG 305 HD3 -0.01 0.19 -0.35 -0.04 3.22 3.01 1ng9A1 MET 306 H -0.12 0.40 -0.34 -0.55 8.47 7.86 1ng9A1 MET 306 HA -0.12 0.01 0.42 -0.75 4.52 4.08 1ng9A1 MET 306 HB2 -0.16 0.03 0.09 -0.04 2.15 2.06 1ng9A1 MET 306 HB3 -0.35 0.12 0.10 -0.04 2.03 1.86 1ng9A1 MET 306 HG2 -1.13 0.01 -0.18 -0.04 2.63 1.29 1ng9A1 MET 306 HG3 -0.17 -0.03 0.02 -0.04 2.56 2.34 1ng9A1 MET 306 HE3 0.06 0.00 -0.02 -0.04 2.10 2.11 1ng9A1 LEU 307 H -0.24 0.56 -0.06 -0.55 8.37 8.08 1ng9A1 LEU 307 HA -0.42 0.03 0.44 -0.75 4.35 3.64 1ng9A1 LEU 307 HB2 -0.21 -0.03 0.11 -0.04 1.64 1.48 1ng9A1 LEU 307 HB3 -0.11 0.11 0.17 -0.04 1.64 1.77 1ng9A1 LEU 307 HG -0.02 -0.02 -0.28 -0.04 1.64 1.29 1ng9A1 LEU 307 HD13 -0.00 -0.01 0.02 -0.04 0.93 0.90 1ng9A1 LEU 307 HD23 -0.03 -0.01 -0.13 -0.04 0.89 0.68 1ng9A1 LYS 308 H -0.04 0.51 -0.17 -0.55 8.42 8.16 1ng9A1 LYS 308 HA 0.07 -0.02 0.35 -0.75 4.32 3.97 1ng9A1 LYS 308 HB2 0.04 0.14 0.09 -0.04 1.87 2.10 1ng9A1 LYS 308 HB3 0.13 -0.03 0.00 -0.04 1.79 1.85 1ng9A1 LYS 308 HG2 0.04 -0.08 0.01 -0.04 1.46 1.39 1ng9A1 LYS 308 HG3 0.00 0.12 0.06 -0.04 1.46 1.59 1ng9A1 LYS 308 HD2 0.01 0.07 -0.00 -0.04 1.69 1.73 1ng9A1 LYS 308 HD3 0.05 -0.04 0.01 -0.04 1.68 1.66 1ng9A1 LYS 308 HE2 0.02 -0.06 -0.02 -0.04 2.99 2.89 1ng9A1 LYS 308 HE3 0.00 -0.03 -0.04 -0.04 2.99 2.88 1ng9A1 ARG 309 H 0.04 0.36 -0.29 -0.55 8.46 8.02 1ng9A1 ARG 309 HA 0.16 0.07 0.43 -0.75 4.34 4.24 1ng9A1 ARG 309 HB2 0.13 0.12 0.15 -0.04 1.90 2.26 1ng9A1 ARG 309 HB3 0.23 -0.04 -0.05 -0.04 1.80 1.89 1ng9A1 ARG 309 HG2 0.07 0.01 -0.01 -0.04 1.67 1.70 1ng9A1 ARG 309 HG3 0.05 0.18 0.02 -0.04 1.67 1.87 1ng9A1 ARG 309 HD2 0.10 -0.02 -0.07 -0.04 3.22 3.19 1ng9A1 ARG 309 HD3 0.05 -0.06 -0.08 -0.04 3.22 3.09 1ng9A1 TRP 310 H 0.28 0.39 -0.26 -0.55 7.97 7.83 1ng9A1 TRP 310 HA 0.04 0.10 0.34 -0.75 4.62 4.35 1ng9A1 TRP 310 HB2 0.03 0.12 0.20 -0.04 3.23 3.54 1ng9A1 TRP 310 HB3 0.04 -0.01 0.01 -0.04 3.23 3.23 1ng9A1 TRP 310 HD1 0.04 -0.08 -0.12 -0.04 7.22 7.02 1ng9A1 TRP 310 HE1 0.03 -0.08 -0.03 -0.04 10.20 10.07 1ng9A1 TRP 310 HE3 0.03 0.05 0.00 -0.04 7.59 7.64 1ng9A1 TRP 310 HZ2 0.02 -0.07 -0.02 -0.04 7.44 7.33 1ng9A1 TRP 310 HZ3 0.03 -0.00 -0.04 -0.04 7.13 7.08 1ng9A1 TRP 310 HH2 0.02 -0.05 -0.01 -0.04 7.19 7.11 1ng9A1 LEU 311 H 0.21 0.54 -0.04 -0.55 8.37 8.53 1ng9A1 LEU 311 HA 0.09 0.02 0.27 -0.75 4.35 3.99 1ng9A1 LEU 311 HB2 0.01 0.07 0.02 -0.04 1.64 1.70 1ng9A1 LEU 311 HB3 -0.04 -0.10 -0.04 -0.04 1.64 1.42 1ng9A1 LEU 311 HG 0.09 0.26 0.02 -0.04 1.64 1.96 1ng9A1 LEU 311 HD13 0.02 -0.04 -0.13 -0.04 0.93 0.73 1ng9A1 LEU 311 HD23 0.06 -0.01 -0.08 -0.04 0.89 0.82 1ng9A1 HIS 312 H 0.20 0.39 -0.55 -0.55 8.41 7.90 1ng9A1 HIS 312 HA 0.04 -0.04 0.46 -0.75 4.63 4.34 1ng9A1 HIS 312 HB2 0.06 0.20 0.12 -0.04 3.26 3.61 1ng9A1 HIS 312 HB3 0.04 -0.05 0.07 -0.04 3.20 3.22 1ng9A1 HIS 312 HD2 0.03 0.10 -0.03 -0.04 6.97 7.02 1ng9A1 HIS 312 HE1 0.01 -0.09 -0.04 -0.04 7.75 7.59 1ng9A1 MET 313 H 0.14 0.44 -0.58 -0.55 8.47 7.93 1ng9A1 MET 313 HA 0.05 0.07 0.68 -0.75 4.52 4.56 1ng9A1 MET 313 HB2 0.09 -0.02 -0.15 -0.04 2.15 2.03 1ng9A1 MET 313 HB3 0.12 0.15 0.04 -0.04 2.03 2.30 1ng9A1 MET 313 HG2 0.02 -0.07 -0.01 -0.04 2.63 2.52 1ng9A1 MET 313 HG3 0.01 0.07 -0.15 -0.04 2.56 2.45 1ng9A1 MET 313 HE3 0.02 0.01 -0.08 -0.04 2.10 2.01 1ng9A1 PRO 314 HA 0.02 0.12 0.60 -0.51 4.44 4.66 1ng9A1 PRO 314 HB2 0.02 -0.15 -0.00 -0.04 2.28 2.11 1ng9A1 PRO 314 HB3 0.11 0.09 -0.07 -0.04 2.02 2.11 1ng9A1 PRO 314 HG2 0.01 -0.10 0.02 -0.04 2.03 1.92 1ng9A1 PRO 314 HG3 0.04 0.13 0.01 -0.04 2.03 2.18 1ng9A1 PRO 314 HD2 0.00 0.10 0.14 -0.04 3.68 3.88 1ng9A1 PRO 314 HD3 0.03 0.18 -0.24 -0.04 3.65 3.59 1ng9A1 VAL 315 H -0.03 0.40 0.40 -0.55 8.24 8.47 1ng9A1 VAL 315 HA -0.05 0.22 0.93 -0.75 4.13 4.48 1ng9A1 VAL 315 HB -0.09 -0.19 0.18 -0.04 2.12 1.98 1ng9A1 VAL 315 HG13 -0.18 0.03 0.04 -0.04 0.97 0.83 1ng9A1 VAL 315 HG23 -0.13 0.00 -0.08 -0.04 0.95 0.70 1ng9A1 ARG 316 H -0.05 0.40 0.19 -0.55 8.46 8.45 1ng9A1 ARG 316 HA 0.03 0.24 0.72 -0.75 4.34 4.57 1ng9A1 ARG 316 HB2 -0.06 0.02 -0.03 -0.04 1.90 1.79 1ng9A1 ARG 316 HB3 -0.06 -0.08 0.06 -0.04 1.80 1.69 1ng9A1 ARG 316 HG2 -0.19 0.06 -0.24 -0.04 1.67 1.27 1ng9A1 ARG 316 HG3 -0.09 -0.08 -0.51 -0.04 1.67 0.94 1ng9A1 ARG 316 HD2 -0.12 0.09 -0.23 -0.04 3.22 2.92 1ng9A1 ARG 316 HD3 -0.08 0.17 -0.19 -0.04 3.22 3.08 1ng9A1 ASP 317 H -0.06 0.12 0.02 -0.55 8.40 7.93 1ng9A1 ASP 317 HA -0.06 0.06 0.56 -0.75 4.63 4.43 1ng9A1 ASP 317 HB2 -0.06 0.10 0.16 -0.04 2.71 2.87 1ng9A1 ASP 317 HB3 -0.07 0.00 0.17 -0.04 2.70 2.76 1ng9A1 THR 318 H -0.09 0.20 0.25 -0.55 8.28 8.09 1ng9A1 THR 318 HA -0.31 0.19 0.22 -0.75 4.39 3.74 1ng9A1 THR 318 HB -0.08 -0.07 0.04 -0.04 4.32 4.17 1ng9A1 THR 318 HG23 -0.22 0.02 0.01 -0.04 1.22 0.99 1ng9A1 ARG 319 H -0.07 0.06 -0.16 -0.55 8.46 7.74 1ng9A1 ARG 319 HA -0.03 0.10 0.43 -0.75 4.34 4.08 1ng9A1 ARG 319 HB2 -0.03 0.00 0.10 -0.04 1.90 1.93 1ng9A1 ARG 319 HB3 -0.04 0.00 0.03 -0.04 1.80 1.76 1ng9A1 ARG 319 HG2 -0.02 0.01 -0.10 -0.04 1.67 1.52 1ng9A1 ARG 319 HG3 -0.01 0.01 0.05 -0.04 1.67 1.68 1ng9A1 ARG 319 HD2 -0.02 -0.00 -0.00 -0.04 3.22 3.15 1ng9A1 ARG 319 HD3 -0.01 0.02 -0.03 -0.04 3.22 3.16 1ng9A1 VAL 320 H -0.07 0.14 -0.21 -0.55 8.24 7.55 1ng9A1 VAL 320 HA -0.05 0.02 0.38 -0.75 4.13 3.73 1ng9A1 VAL 320 HB -0.10 0.13 0.07 -0.04 2.12 2.17 1ng9A1 VAL 320 HG13 -0.16 0.03 -0.11 -0.04 0.97 0.68 1ng9A1 VAL 320 HG23 -0.06 -0.02 0.03 -0.04 0.95 0.85 1ng9A1 LEU 321 H -0.10 0.36 -0.27 -0.55 8.37 7.81 1ng9A1 LEU 321 HA -0.04 0.10 0.42 -0.75 4.35 4.07 1ng9A1 LEU 321 HB2 -0.25 0.05 0.03 -0.04 1.64 1.43 1ng9A1 LEU 321 HB3 0.01 0.09 -0.00 -0.04 1.64 1.70 1ng9A1 LEU 321 HG -0.12 -0.02 -0.15 -0.04 1.64 1.31 1ng9A1 LEU 321 HD13 -0.27 0.07 -0.15 -0.04 0.93 0.53 1ng9A1 LEU 321 HD23 -0.03 0.07 -0.22 -0.04 0.89 0.66 1ng9A1 LEU 322 H -0.03 0.38 -0.15 -0.55 8.37 8.03 1ng9A1 LEU 322 HA 0.11 0.11 0.52 -0.75 4.35 4.33 1ng9A1 LEU 322 HB2 0.01 0.06 0.22 -0.04 1.64 1.89 1ng9A1 LEU 322 HB3 0.05 -0.08 0.03 -0.04 1.64 1.60 1ng9A1 LEU 322 HG 0.04 0.17 0.08 -0.04 1.64 1.89 1ng9A1 LEU 322 HD13 0.03 -0.04 -0.01 -0.04 0.93 0.88 1ng9A1 LEU 322 HD23 0.16 0.00 0.04 -0.04 0.89 1.05 1ng9A1 GLU 323 H 0.01 0.49 -0.09 -0.55 8.60 8.47 1ng9A1 GLU 323 HA 0.03 -0.04 0.40 -0.75 4.29 3.93 1ng9A1 GLU 323 HB2 0.00 0.14 0.15 -0.04 2.09 2.34 1ng9A1 GLU 323 HB3 0.02 -0.06 0.01 -0.04 1.99 1.92 1ng9A1 GLU 323 HG2 0.01 -0.09 0.05 -0.04 2.34 2.28 1ng9A1 GLU 323 HG3 0.00 0.20 0.11 -0.04 2.34 2.61 1ng9A1 ARG 324 H 0.02 0.50 -0.21 -0.55 8.46 8.22 1ng9A1 ARG 324 HA 0.08 -0.04 0.45 -0.75 4.34 4.08 1ng9A1 ARG 324 HB2 0.02 0.11 0.21 -0.04 1.90 2.20 1ng9A1 ARG 324 HB3 0.10 0.04 0.03 -0.04 1.80 1.93 1ng9A1 ARG 324 HG2 0.06 -0.11 0.04 -0.04 1.67 1.63 1ng9A1 ARG 324 HG3 -0.08 0.06 0.08 -0.04 1.67 1.69 1ng9A1 ARG 324 HD2 -0.23 0.03 -0.13 -0.04 3.22 2.85 1ng9A1 ARG 324 HD3 -0.32 0.08 0.06 -0.04 3.22 3.00 1ng9A1 GLN 325 H 0.10 0.43 -0.20 -0.55 8.47 8.25 1ng9A1 GLN 325 HA 0.21 0.16 0.45 -0.75 4.36 4.43 1ng9A1 GLN 325 HB2 0.13 0.07 0.23 -0.04 2.15 2.54 1ng9A1 GLN 325 HB3 0.21 -0.12 0.01 -0.04 2.02 2.08 1ng9A1 GLN 325 HG2 0.21 0.07 0.02 -0.04 2.40 2.66 1ng9A1 GLN 325 HG3 0.16 0.18 0.18 -0.04 2.39 2.87 1ng9A1 GLN 325 HE21 -0.10 -0.01 -0.04 -0.04 6.97 6.78 1ng9A1 GLN 325 HE22 0.13 0.07 -0.03 -0.04 7.69 7.83 1ng9A1 GLN 326 H 0.09 0.48 -0.12 -0.55 8.47 8.37 1ng9A1 GLN 326 HA 0.10 0.04 0.45 -0.75 4.36 4.19 1ng9A1 GLN 326 HB2 0.05 0.10 0.18 -0.04 2.15 2.44 1ng9A1 GLN 326 HB3 0.05 -0.10 0.05 -0.04 2.02 1.98 1ng9A1 GLN 326 HG2 0.05 -0.04 0.05 -0.04 2.40 2.42 1ng9A1 GLN 326 HG3 0.07 0.17 0.08 -0.04 2.39 2.67 1ng9A1 GLN 326 HE21 0.03 -0.07 -0.06 -0.04 6.97 6.83 1ng9A1 GLN 326 HE22 0.04 0.05 -0.04 -0.04 7.69 7.70 1ng9A1 THR 327 H 0.06 0.53 -0.17 -0.55 8.28 8.16 1ng9A1 THR 327 HA 0.04 -0.07 0.39 -0.75 4.39 3.99 1ng9A1 THR 327 HB 0.07 0.25 0.13 -0.04 4.32 4.73 1ng9A1 THR 327 HG23 0.05 -0.02 -0.12 -0.04 1.22 1.09 1ng9A1 ILE 328 H 0.03 0.52 -0.22 -0.55 8.25 8.03 1ng9A1 ILE 328 HA -0.06 0.04 0.34 -0.75 4.18 3.75 1ng9A1 ILE 328 HB -0.13 0.19 0.17 -0.04 1.89 2.08 1ng9A1 ILE 328 HG12 -0.06 -0.06 -0.05 -0.04 1.49 1.28 1ng9A1 ILE 328 HG13 0.02 -0.01 0.05 -0.04 1.21 1.23 1ng9A1 ILE 328 HG23 -0.69 -0.04 -0.18 -0.04 0.93 -0.02 1ng9A1 ILE 328 HD13 0.05 -0.02 -0.14 -0.04 0.88 0.73 1ng9A1 GLY 329 H 0.05 0.45 -0.22 -0.55 8.43 8.16 1ng9A1 GLY 329 HA2 0.04 0.04 0.42 -0.51 4.01 4.00 1ng9A1 GLY 329 HA3 0.13 0.03 0.33 -0.51 4.01 3.99 1ng9A1 ALA 330 H 0.06 0.57 -0.11 -0.55 8.40 8.38 1ng9A1 ALA 330 HA 0.09 0.03 0.40 -0.75 4.34 4.11 1ng9A1 ALA 330 HB3 0.05 -0.01 0.04 -0.04 1.41 1.45 1ng9A1 LEU 331 H 0.06 0.50 -0.26 -0.55 8.37 8.12 1ng9A1 LEU 331 HA 0.30 0.06 0.53 -0.75 4.35 4.48 1ng9A1 LEU 331 HB2 0.04 0.20 0.01 -0.04 1.64 1.85 1ng9A1 LEU 331 HB3 0.07 -0.08 0.06 -0.04 1.64 1.65 1ng9A1 LEU 331 HG 0.04 0.01 -0.01 -0.04 1.64 1.64 1ng9A1 LEU 331 HD13 0.02 -0.01 -0.08 -0.04 0.93 0.82 1ng9A1 LEU 331 HD23 -0.00 -0.01 -0.04 -0.04 0.89 0.80 1ng9A1 GLN 332 H 0.03 0.33 -0.46 -0.55 8.47 7.83 1ng9A1 GLN 332 HA -0.06 0.05 0.23 -0.75 4.36 3.82 1ng9A1 GLN 332 HB2 -0.04 0.20 0.16 -0.04 2.15 2.43 1ng9A1 GLN 332 HB3 -0.10 -0.06 0.02 -0.04 2.02 1.85 1ng9A1 GLN 332 HG2 -0.14 -0.09 -0.00 -0.04 2.40 2.13 1ng9A1 GLN 332 HG3 -0.07 0.03 -0.01 -0.04 2.39 2.29 1ng9A1 GLN 332 HE21 -0.01 -0.02 -0.07 -0.04 6.97 6.83 1ng9A1 GLN 332 HE22 -0.09 0.20 0.12 -0.04 7.69 7.88 1ng9A1 ASP 333 H -0.19 0.19 -0.21 -0.55 8.40 7.65 1ng9A1 ASP 333 HA -0.35 0.11 0.53 -0.75 4.63 4.17 1ng9A1 ASP 333 HB2 -1.13 0.05 0.02 -0.04 2.71 1.61 1ng9A1 ASP 333 HB3 -0.59 -0.03 0.08 -0.04 2.70 2.12 1ng9A1 PHE 334 H -0.03 0.34 -0.41 -0.55 8.34 7.69 1ng9A1 PHE 334 HA -0.04 0.09 0.68 -0.75 4.62 4.60 1ng9A1 PHE 334 HB2 -0.03 0.10 0.10 -0.04 3.15 3.27 1ng9A1 PHE 334 HB3 -0.03 -0.03 0.15 -0.04 3.06 3.11 1ng9A1 PHE 334 HD2 -0.03 0.01 0.02 -0.04 7.28 7.24 1ng9A1 PHE 334 HE2 -0.02 0.08 0.02 -0.04 7.38 7.42 1ng9A1 PHE 334 HZ -0.02 -0.01 -0.04 -0.04 7.32 7.22 1ng9A1 THR 335 H -0.07 0.29 -0.45 -0.55 8.28 7.50 1ng9A1 THR 335 HA 0.01 0.10 0.50 -0.75 4.39 4.25 1ng9A1 THR 335 HB -0.09 0.16 0.15 -0.04 4.32 4.49 1ng9A1 THR 335 HG23 -0.03 -0.02 -0.07 -0.04 1.22 1.06 1ng9A1 ALA 336 H -0.04 0.19 -0.01 -0.55 8.40 7.99 1ng9A1 ALA 336 HA -0.01 0.10 0.27 -0.75 4.34 3.95 1ng9A1 ALA 336 HB3 -0.02 0.02 0.08 -0.04 1.41 1.45 1ng9A1 GLY 337 H 0.03 0.07 -0.44 -0.55 8.43 7.54 1ng9A1 GLY 337 HA2 0.02 0.12 0.64 -0.51 4.01 4.28 1ng9A1 GLY 337 HA3 0.04 0.03 0.24 -0.51 4.01 3.81 1ng9A1 LEU 338 H 0.04 0.36 -0.09 -0.55 8.37 8.13 1ng9A1 LEU 338 HA 0.01 0.05 0.46 -0.75 4.35 4.12 1ng9A1 LEU 338 HB2 0.03 0.19 0.23 -0.04 1.64 2.06 1ng9A1 LEU 338 HB3 0.01 -0.08 0.03 -0.04 1.64 1.57 1ng9A1 LEU 338 HG 0.05 -0.04 0.06 -0.04 1.64 1.67 1ng9A1 LEU 338 HD13 0.04 0.02 -0.00 -0.04 0.93 0.94 1ng9A1 LEU 338 HD23 -0.01 -0.02 0.01 -0.04 0.89 0.83 1ng9A1 GLN 339 H 0.01 0.33 -0.23 -0.55 8.47 8.04 1ng9A1 GLN 339 HA -0.00 0.00 0.23 -0.75 4.36 3.83 1ng9A1 GLN 339 HB2 -0.00 0.13 0.10 -0.04 2.15 2.34 1ng9A1 GLN 339 HB3 -0.00 -0.02 -0.05 -0.04 2.02 1.90 1ng9A1 GLN 339 HG2 -0.01 -0.10 -0.01 -0.04 2.40 2.24 1ng9A1 GLN 339 HG3 -0.00 0.09 0.03 -0.04 2.39 2.47 1ng9A1 GLN 339 HE21 -0.02 0.11 -0.01 -0.04 6.97 7.01 1ng9A1 GLN 339 HE22 -0.02 -0.10 -0.07 -0.04 7.69 7.46 1ng9A1 PRO 340 HA 0.00 0.07 0.59 -0.51 4.44 4.59 1ng9A1 PRO 340 HB2 0.00 0.05 -0.03 -0.04 2.28 2.26 1ng9A1 PRO 340 HB3 0.01 -0.00 0.10 -0.04 2.02 2.08 1ng9A1 PRO 340 HG2 0.00 0.11 0.10 -0.04 2.03 2.20 1ng9A1 PRO 340 HG3 0.00 -0.00 0.07 -0.04 2.03 2.06 1ng9A1 PRO 340 HD2 0.01 0.20 -0.23 -0.04 3.68 3.61 1ng9A1 PRO 340 HD3 0.00 0.09 0.07 -0.04 3.65 3.77 1ng9A1 VAL 341 H -0.00 0.26 -0.48 -0.55 8.24 7.47 1ng9A1 VAL 341 HA -0.02 0.11 0.66 -0.75 4.13 4.13 1ng9A1 VAL 341 HB -0.01 0.12 0.08 -0.04 2.12 2.27 1ng9A1 VAL 341 HG13 -0.02 -0.02 -0.02 -0.04 0.97 0.87 1ng9A1 VAL 341 HG23 -0.00 0.03 -0.01 -0.04 0.95 0.93 1ng9A1 LEU 342 H -0.01 0.51 0.06 -0.55 8.37 8.39 1ng9A1 LEU 342 HA -0.01 0.06 0.50 -0.75 4.35 4.15 1ng9A1 LEU 342 HB2 -0.01 0.10 0.15 -0.04 1.64 1.83 1ng9A1 LEU 342 HB3 -0.01 -0.10 -0.00 -0.04 1.64 1.49 1ng9A1 LEU 342 HG -0.00 0.15 0.09 -0.04 1.64 1.84 1ng9A1 LEU 342 HD13 -0.01 -0.03 -0.13 -0.04 0.93 0.72 1ng9A1 LEU 342 HD23 -0.00 0.00 0.03 -0.04 0.89 0.88 1ng9A1 ARG 343 H -0.00 0.44 -0.25 -0.55 8.46 8.09 1ng9A1 ARG 343 HA -0.00 0.09 0.30 -0.75 4.34 3.97 1ng9A1 ARG 343 HB2 -0.00 0.05 0.14 -0.04 1.90 2.05 1ng9A1 ARG 343 HB3 0.01 0.10 0.07 -0.04 1.80 1.94 1ng9A1 ARG 343 HG2 0.01 -0.06 -0.06 -0.04 1.67 1.52 1ng9A1 ARG 343 HG3 0.00 0.19 0.15 -0.04 1.67 1.97 1ng9A1 ARG 343 HD2 0.01 -0.01 0.00 -0.04 3.22 3.18 1ng9A1 ARG 343 HD3 0.00 -0.05 0.01 -0.04 3.22 3.15 1ng9A1 GLN 344 H -0.01 0.28 -0.52 -0.55 8.47 7.68 1ng9A1 GLN 344 HA 0.06 0.03 0.42 -0.75 4.36 4.12 1ng9A1 GLN 344 HB2 -0.08 0.18 0.08 -0.04 2.15 2.29 1ng9A1 GLN 344 HB3 -0.17 -0.03 0.05 -0.04 2.02 1.83 1ng9A1 GLN 344 HG2 0.01 0.23 0.12 -0.04 2.40 2.72 1ng9A1 GLN 344 HG3 -0.01 -0.05 0.06 -0.04 2.39 2.36 1ng9A1 GLN 344 HE21 0.06 -0.06 -0.03 -0.04 6.97 6.91 1ng9A1 GLN 344 HE22 0.04 0.06 -0.02 -0.04 7.69 7.73 1ng9A1 VAL 345 H -0.02 0.33 -0.34 -0.55 8.24 7.66 1ng9A1 VAL 345 HA -0.03 0.02 0.59 -0.75 4.13 3.96 1ng9A1 VAL 345 HB -0.01 0.21 0.18 -0.04 2.12 2.46 1ng9A1 VAL 345 HG13 -0.00 -0.03 -0.05 -0.04 0.97 0.84 1ng9A1 VAL 345 HG23 -0.00 0.03 0.08 -0.04 0.95 1.02 1ng9A1 GLY 346 H -0.00 0.31 -0.24 -0.55 8.43 7.95 1ng9A1 GLY 346 HA2 -0.00 0.11 0.33 -0.51 4.01 3.94 1ng9A1 GLY 346 HA3 -0.00 0.06 0.31 -0.51 4.01 3.87 1ng9A1 ASP 347 H -0.01 0.21 0.11 -0.55 8.40 8.16 1ng9A1 ASP 347 HA -0.02 0.03 0.80 -0.75 4.63 4.69 1ng9A1 ASP 347 HB2 -0.02 0.04 0.15 -0.04 2.71 2.85 1ng9A1 ASP 347 HB3 -0.02 0.05 0.24 -0.04 2.70 2.93 1ng9A1 LEU 348 H -0.02 0.48 -0.32 -0.55 8.37 7.96 1ng9A1 LEU 348 HA -0.05 0.07 0.37 -0.75 4.35 3.97 1ng9A1 LEU 348 HB2 -0.05 0.25 0.07 -0.04 1.64 1.87 1ng9A1 LEU 348 HB3 -0.02 -0.03 0.06 -0.04 1.64 1.60 1ng9A1 LEU 348 HG -0.04 -0.05 -0.19 -0.04 1.64 1.32 1ng9A1 LEU 348 HD13 -0.16 -0.01 0.05 -0.04 0.93 0.77 1ng9A1 LEU 348 HD23 0.00 0.02 -0.08 -0.04 0.89 0.79 1ng9A1 GLU 349 H -0.01 0.07 -0.24 -0.55 8.60 7.86 1ng9A1 GLU 349 HA 0.00 0.10 0.36 -0.75 4.29 4.00 1ng9A1 GLU 349 HB2 -0.00 -0.00 0.06 -0.04 2.09 2.10 1ng9A1 GLU 349 HB3 -0.01 -0.07 0.06 -0.04 1.99 1.94 1ng9A1 GLU 349 HG2 0.00 0.14 -0.13 -0.04 2.34 2.31 1ng9A1 GLU 349 HG3 0.01 0.03 0.05 -0.04 2.34 2.38 1ng9A1 ARG 350 H -0.01 0.14 -0.18 -0.55 8.46 7.86 1ng9A1 ARG 350 HA 0.00 0.33 0.56 -0.75 4.34 4.48 1ng9A1 ARG 350 HB2 -0.01 0.00 0.12 -0.04 1.90 1.97 1ng9A1 ARG 350 HB3 -0.01 0.01 0.01 -0.04 1.80 1.76 1ng9A1 ARG 350 HG2 -0.00 0.18 0.06 -0.04 1.67 1.87 1ng9A1 ARG 350 HG3 -0.01 -0.09 0.01 -0.04 1.67 1.54 1ng9A1 ARG 350 HD2 -0.01 -0.02 -0.03 -0.04 3.22 3.11 1ng9A1 ARG 350 HD3 -0.01 -0.00 -0.06 -0.04 3.22 3.11 1ng9A1 ILE 351 H -0.02 0.37 -0.09 -0.55 8.25 7.95 1ng9A1 ILE 351 HA -0.03 -0.02 0.54 -0.75 4.18 3.92 1ng9A1 ILE 351 HB -0.05 0.16 0.12 -0.04 1.89 2.08 1ng9A1 ILE 351 HG12 -0.02 -0.11 0.09 -0.04 1.49 1.40 1ng9A1 ILE 351 HG13 -0.02 -0.03 0.06 -0.04 1.21 1.17 1ng9A1 ILE 351 HG23 -0.06 -0.01 -0.17 -0.04 0.93 0.65 1ng9A1 ILE 351 HD13 -0.04 0.02 -0.11 -0.04 0.88 0.71 1ng9A1 LEU 352 H -0.02 0.41 -0.41 -0.55 8.37 7.80 1ng9A1 LEU 352 HA -0.05 0.03 0.44 -0.75 4.35 4.02 1ng9A1 LEU 352 HB2 0.00 0.20 0.08 -0.04 1.64 1.88 1ng9A1 LEU 352 HB3 -0.00 -0.04 -0.01 -0.04 1.64 1.55 1ng9A1 LEU 352 HG -0.05 0.12 -0.01 -0.04 1.64 1.66 1ng9A1 LEU 352 HD13 -0.01 -0.03 -0.24 -0.04 0.93 0.61 1ng9A1 LEU 352 HD23 -0.04 -0.02 -0.07 -0.04 0.89 0.71 1ng9A1 ALA 353 H 0.01 0.29 -0.29 -0.55 8.40 7.87 1ng9A1 ALA 353 HA 0.12 0.08 0.51 -0.75 4.34 4.29 1ng9A1 ALA 353 HB3 0.08 0.11 -0.01 -0.04 1.41 1.55 1ng9A1 ARG 354 H -0.04 0.45 -0.13 -0.55 8.46 8.19 1ng9A1 ARG 354 HA -0.10 0.05 0.37 -0.75 4.34 3.91 1ng9A1 ARG 354 HB2 -0.05 0.12 0.08 -0.04 1.90 2.01 1ng9A1 ARG 354 HB3 -0.05 -0.11 -0.23 -0.04 1.80 1.37 1ng9A1 ARG 354 HG2 -0.03 -0.01 -0.09 -0.04 1.67 1.50 1ng9A1 ARG 354 HG3 -0.02 0.26 0.09 -0.04 1.67 1.96 1ng9A1 ARG 354 HD2 -0.00 -0.02 -0.06 -0.04 3.22 3.10 1ng9A1 ARG 354 HD3 -0.01 -0.04 0.04 -0.04 3.22 3.17 1ng9A1 LEU 355 H -0.12 0.38 -0.40 -0.55 8.37 7.69 1ng9A1 LEU 355 HA -0.45 -0.04 0.44 -0.75 4.35 3.55 1ng9A1 LEU 355 HB2 -0.11 0.00 0.06 -0.04 1.64 1.56 1ng9A1 LEU 355 HB3 -0.11 0.14 0.13 -0.04 1.64 1.76 1ng9A1 LEU 355 HG -0.16 0.04 -0.31 -0.04 1.64 1.16 1ng9A1 LEU 355 HD13 -0.11 -0.02 -0.01 -0.04 0.93 0.75 1ng9A1 LEU 355 HD23 -0.02 -0.00 -0.15 -0.04 0.89 0.67 1ng9A1 ALA 356 H -0.18 0.42 -0.33 -0.55 8.40 7.76 1ng9A1 ALA 356 HA -0.19 0.02 0.39 -0.75 4.34 3.81 1ng9A1 ALA 356 HB3 -0.30 0.02 0.09 -0.04 1.41 1.17 1ng9A1 LEU 357 H -0.26 0.35 -0.22 -0.55 8.37 7.69 1ng9A1 LEU 357 HA -0.19 0.22 0.67 -0.75 4.35 4.29 1ng9A1 LEU 357 HB2 -0.15 -0.09 0.05 -0.04 1.64 1.41 1ng9A1 LEU 357 HB3 -0.11 -0.01 0.10 -0.04 1.64 1.58 1ng9A1 LEU 357 HG -0.36 0.05 -0.04 -0.04 1.64 1.26 1ng9A1 LEU 357 HD13 -0.04 -0.02 -0.14 -0.04 0.93 0.68 1ng9A1 LEU 357 HD23 -0.12 0.03 -0.02 -0.04 0.89 0.73 1ng9A1 ARG 358 H -0.35 0.29 -0.61 -0.55 8.46 7.23 1ng9A1 ARG 358 HA -0.85 0.04 0.32 -0.75 4.34 3.09 1ng9A1 ARG 358 HB2 -0.03 0.18 0.09 -0.04 1.90 2.10 1ng9A1 ARG 358 HB3 0.11 -0.10 0.22 -0.04 1.80 1.99 1ng9A1 ARG 358 HG2 -0.20 0.03 0.02 -0.04 1.67 1.48 1ng9A1 ARG 358 HG3 -0.12 0.09 -0.30 -0.04 1.67 1.30 1ng9A1 ARG 358 HD2 0.01 0.00 -0.03 -0.04 3.22 3.16 1ng9A1 ARG 358 HD3 0.11 -0.06 0.03 -0.04 3.22 3.27 1ng9A1 THR 359 H -0.16 0.32 -0.24 -0.55 8.28 7.66 1ng9A1 THR 359 HA 0.08 0.19 0.76 -0.75 4.39 4.66 1ng9A1 THR 359 HB 0.01 -0.11 0.10 -0.04 4.32 4.29 1ng9A1 THR 359 HG23 -0.02 0.06 -0.15 -0.04 1.22 1.06 1ng9A1 ALA 360 H -0.16 0.21 -0.31 -0.55 8.40 7.59 1ng9A1 ALA 360 HA 0.05 -0.06 0.34 -0.75 4.34 3.92 1ng9A1 ALA 360 HB3 0.02 0.00 -0.17 -0.04 1.41 1.23 1ng9A1 ARG 361 H 0.10 0.03 0.23 -0.55 8.46 8.27 1ng9A1 ARG 361 HA 0.17 0.17 0.55 -0.75 4.34 4.47 1ng9A1 ARG 361 HB2 0.05 -0.18 0.16 -0.04 1.90 1.90 1ng9A1 ARG 361 HB3 0.03 0.29 0.27 -0.04 1.80 2.35 1ng9A1 ARG 361 HG2 0.06 0.04 0.07 -0.04 1.67 1.79 1ng9A1 ARG 361 HG3 0.06 0.03 0.17 -0.04 1.67 1.89 1ng9A1 ARG 361 HD2 0.02 -0.08 0.09 -0.04 3.22 3.21 1ng9A1 ARG 361 HD3 0.01 0.16 0.12 -0.04 3.22 3.47 1ng9A1 PRO 362 HA 0.22 0.07 0.43 -0.51 4.44 4.65 1ng9A1 PRO 362 HB2 -0.02 0.34 -0.12 -0.04 2.28 2.44 1ng9A1 PRO 362 HB3 0.00 0.01 0.00 -0.04 2.02 2.00 1ng9A1 PRO 362 HG2 -0.16 0.08 -0.46 -0.04 2.03 1.46 1ng9A1 PRO 362 HG3 -0.40 0.00 -0.08 -0.04 2.03 1.51 1ng9A1 PRO 362 HD2 -0.03 0.35 -0.03 -0.04 3.68 3.92 1ng9A1 PRO 362 HD3 -0.09 0.07 0.14 -0.04 3.65 3.73 1ng9A1 ARG 363 H 0.03 0.18 -0.20 -0.55 8.46 7.91 1ng9A1 ARG 363 HA 0.00 0.18 0.63 -0.75 4.34 4.40 1ng9A1 ARG 363 HB2 0.00 -0.02 0.04 -0.04 1.90 1.88 1ng9A1 ARG 363 HB3 -0.01 -0.01 -0.02 -0.04 1.80 1.72 1ng9A1 ARG 363 HG2 -0.02 0.00 0.00 -0.04 1.67 1.61 1ng9A1 ARG 363 HG3 -0.01 0.13 -0.14 -0.04 1.67 1.61 1ng9A1 ARG 363 HD2 -0.01 -0.09 -0.10 -0.04 3.22 2.97 1ng9A1 ARG 363 HD3 -0.02 -0.04 -0.05 -0.04 3.22 3.07 1ng9A1 ASP 364 H 0.05 0.19 -0.30 -0.55 8.40 7.79 1ng9A1 ASP 364 HA -0.00 0.09 0.64 -0.75 4.63 4.61 1ng9A1 ASP 364 HB2 0.08 0.26 0.12 -0.04 2.71 3.12 1ng9A1 ASP 364 HB3 0.01 0.04 0.01 -0.04 2.70 2.72 1ng9A1 LEU 365 H 0.08 0.39 -0.13 -0.55 8.37 8.16 1ng9A1 LEU 365 HA -0.01 0.05 0.39 -0.75 4.35 4.02 1ng9A1 LEU 365 HB2 0.07 0.12 0.03 -0.04 1.64 1.82 1ng9A1 LEU 365 HB3 0.02 -0.01 0.01 -0.04 1.64 1.61 1ng9A1 LEU 365 HG 0.15 0.10 -0.13 -0.04 1.64 1.72 1ng9A1 LEU 365 HD13 -0.11 0.00 -0.09 -0.04 0.93 0.69 1ng9A1 LEU 365 HD23 0.09 -0.02 -0.15 -0.04 0.89 0.77 1ng9A1 ALA 366 H 0.02 0.29 -0.28 -0.55 8.40 7.88 1ng9A1 ALA 366 HA -0.00 0.11 0.55 -0.75 4.34 4.24 1ng9A1 ALA 366 HB3 -0.01 0.05 0.12 -0.04 1.41 1.52 1ng9A1 ARG 367 H -0.02 0.36 -0.29 -0.55 8.46 7.96 1ng9A1 ARG 367 HA 0.01 0.09 0.58 -0.75 4.34 4.27 1ng9A1 ARG 367 HB2 -0.03 0.08 0.15 -0.04 1.90 2.06 1ng9A1 ARG 367 HB3 -0.02 -0.01 0.02 -0.04 1.80 1.75 1ng9A1 ARG 367 HG2 -0.04 0.01 0.03 -0.04 1.67 1.63 1ng9A1 ARG 367 HG3 -0.04 0.07 0.06 -0.04 1.67 1.73 1ng9A1 ARG 367 HD2 -0.01 -0.03 0.01 -0.04 3.22 3.14 1ng9A1 ARG 367 HD3 -0.03 -0.03 0.00 -0.04 3.22 3.13 1ng9A1 MET 368 H -0.09 0.39 -0.20 -0.55 8.47 8.02 1ng9A1 MET 368 HA -0.31 0.07 0.60 -0.75 4.52 4.13 1ng9A1 MET 368 HB2 -0.16 0.05 0.07 -0.04 2.15 2.07 1ng9A1 MET 368 HB3 -0.18 0.11 0.10 -0.04 2.03 2.02 1ng9A1 MET 368 HG2 -0.94 -0.03 -0.13 -0.04 2.63 1.49 1ng9A1 MET 368 HG3 -0.34 -0.01 -0.00 -0.04 2.56 2.16 1ng9A1 MET 368 HE3 -0.05 -0.01 -0.14 -0.04 2.10 1.87 1ng9A1 ARG 369 H -0.12 0.41 -0.29 -0.55 8.46 7.90 1ng9A1 ARG 369 HA -0.05 -0.01 0.53 -0.75 4.34 4.06 1ng9A1 ARG 369 HB2 0.02 -0.00 0.11 -0.04 1.90 1.99 1ng9A1 ARG 369 HB3 0.01 0.19 0.19 -0.04 1.80 2.15 1ng9A1 ARG 369 HG2 0.08 -0.01 -0.21 -0.04 1.67 1.48 1ng9A1 ARG 369 HG3 0.11 -0.03 0.05 -0.04 1.67 1.75 1ng9A1 ARG 369 HD2 0.04 -0.06 -0.18 -0.04 3.22 2.99 1ng9A1 ARG 369 HD3 0.03 0.00 -0.32 -0.04 3.22 2.89 1ng9A1 HIS 370 H 0.05 0.40 -0.15 -0.55 8.41 8.16 1ng9A1 HIS 370 HA -0.01 0.00 0.51 -0.75 4.63 4.38 1ng9A1 HIS 370 HB2 -0.03 0.10 0.19 -0.04 3.26 3.48 1ng9A1 HIS 370 HB3 -0.05 0.16 0.13 -0.04 3.20 3.40 1ng9A1 HIS 370 HD2 -0.02 0.14 0.03 -0.04 6.97 7.08 1ng9A1 HIS 370 HE1 0.00 -0.05 0.02 -0.04 7.75 7.67 1ng9A1 ALA 371 H -0.11 0.28 -0.43 -0.55 8.40 7.59 1ng9A1 ALA 371 HA -0.08 0.09 0.45 -0.75 4.34 4.05 1ng9A1 ALA 371 HB3 -0.15 0.07 0.19 -0.04 1.41 1.48 1ng9A1 PHE 372 H -0.20 0.41 -0.13 -0.55 8.34 7.87 1ng9A1 PHE 372 HA 0.07 0.06 0.49 -0.75 4.62 4.48 1ng9A1 PHE 372 HB2 0.03 0.15 0.19 -0.04 3.15 3.47 1ng9A1 PHE 372 HB3 0.06 -0.01 0.13 -0.04 3.06 3.20 1ng9A1 PHE 372 HD2 0.05 -0.02 -0.04 -0.04 7.28 7.24 1ng9A1 PHE 372 HE2 -0.25 -0.02 -0.12 -0.04 7.38 6.95 1ng9A1 PHE 372 HZ -0.28 -0.04 -0.06 -0.04 7.32 6.90 1ng9A1 GLN 373 H 0.07 0.34 -0.49 -0.55 8.47 7.84 1ng9A1 GLN 373 HA 0.06 -0.00 0.44 -0.75 4.36 4.10 1ng9A1 GLN 373 HB2 -0.05 0.21 0.13 -0.04 2.15 2.40 1ng9A1 GLN 373 HB3 -0.01 -0.09 0.10 -0.04 2.02 1.99 1ng9A1 GLN 373 HG2 0.06 -0.10 0.05 -0.04 2.40 2.36 1ng9A1 GLN 373 HG3 0.09 0.10 0.06 -0.04 2.39 2.60 1ng9A1 GLN 373 HE21 0.08 -0.02 -0.03 -0.04 6.97 6.96 1ng9A1 GLN 373 HE22 0.07 -0.01 -0.02 -0.04 7.69 7.69 1ng9A1 GLN 374 H -0.00 0.43 -0.52 -0.55 8.47 7.83 1ng9A1 GLN 374 HA -0.04 0.06 0.79 -0.75 4.36 4.42 1ng9A1 GLN 374 HB2 -0.02 0.13 0.04 -0.04 2.15 2.25 1ng9A1 GLN 374 HB3 -0.04 -0.08 0.09 -0.04 2.02 1.95 1ng9A1 GLN 374 HG2 -0.20 0.34 0.06 -0.04 2.40 2.57 1ng9A1 GLN 374 HG3 -0.14 -0.07 -0.17 -0.04 2.39 1.97 1ng9A1 GLN 374 HE21 -0.34 -0.10 -0.03 -0.04 6.97 6.45 1ng9A1 GLN 374 HE22 -0.89 0.22 -0.02 -0.04 7.69 6.96 1ng9A1 LEU 375 H 0.07 0.39 -0.18 -0.55 8.37 8.10 1ng9A1 LEU 375 HA 0.03 0.03 0.31 -0.75 4.35 3.96 1ng9A1 LEU 375 HB2 0.08 0.16 0.22 -0.04 1.64 2.05 1ng9A1 LEU 375 HB3 0.04 0.02 0.08 -0.04 1.64 1.74 1ng9A1 LEU 375 HG 0.21 0.08 0.15 -0.04 1.64 2.05 1ng9A1 LEU 375 HD13 0.31 0.10 -0.12 -0.04 0.93 1.18 1ng9A1 LEU 375 HD23 0.12 -0.02 -0.05 -0.04 0.89 0.90 1ng9A1 PRO 376 HA -0.02 0.06 0.55 -0.51 4.44 4.52 1ng9A1 PRO 376 HB2 -0.00 0.04 -0.04 -0.04 2.28 2.24 1ng9A1 PRO 376 HB3 -0.01 -0.02 0.07 -0.04 2.02 2.02 1ng9A1 PRO 376 HG2 0.01 0.07 0.04 -0.04 2.03 2.10 1ng9A1 PRO 376 HG3 -0.00 0.00 0.05 -0.04 2.03 2.04 1ng9A1 PRO 376 HD2 0.02 0.19 -0.28 -0.04 3.68 3.56 1ng9A1 PRO 376 HD3 0.04 0.33 0.15 -0.04 3.65 4.13 1ng9A1 GLU 377 H -0.00 0.29 -0.27 -0.55 8.60 8.07 1ng9A1 GLU 377 HA -0.01 0.02 0.54 -0.75 4.29 4.08 1ng9A1 GLU 377 HB2 -0.01 -0.02 0.11 -0.04 2.09 2.13 1ng9A1 GLU 377 HB3 -0.01 0.22 0.13 -0.04 1.99 2.29 1ng9A1 GLU 377 HG2 -0.01 0.02 0.01 -0.04 2.34 2.32 1ng9A1 GLU 377 HG3 -0.01 0.03 -0.22 -0.04 2.34 2.10 1ng9A1 LEU 378 H -0.01 0.43 -0.20 -0.55 8.37 8.05 1ng9A1 LEU 378 HA -0.02 0.04 0.55 -0.75 4.35 4.17 1ng9A1 LEU 378 HB2 0.00 0.15 0.13 -0.04 1.64 1.88 1ng9A1 LEU 378 HB3 -0.01 -0.03 -0.01 -0.04 1.64 1.55 1ng9A1 LEU 378 HG -0.01 0.07 -0.04 -0.04 1.64 1.63 1ng9A1 LEU 378 HD13 0.01 -0.00 -0.10 -0.04 0.93 0.79 1ng9A1 LEU 378 HD23 -0.01 -0.01 0.02 -0.04 0.89 0.85 1ng9A1 ARG 379 H -0.02 0.46 -0.09 -0.55 8.46 8.27 1ng9A1 ARG 379 HA -0.03 0.07 0.50 -0.75 4.34 4.13 1ng9A1 ARG 379 HB2 -0.03 0.04 0.18 -0.04 1.90 2.05 1ng9A1 ARG 379 HB3 -0.04 -0.08 -0.01 -0.04 1.80 1.64 1ng9A1 ARG 379 HG2 -0.03 0.03 0.03 -0.04 1.67 1.66 1ng9A1 ARG 379 HG3 -0.02 0.36 0.07 -0.04 1.67 2.03 1ng9A1 ARG 379 HD2 -0.06 0.11 -0.10 -0.04 3.22 3.13 1ng9A1 ARG 379 HD3 -0.04 -0.10 -0.05 -0.04 3.22 2.98 1ng9A1 ALA 380 H -0.02 0.48 -0.18 -0.55 8.40 8.13 1ng9A1 ALA 380 HA -0.03 0.01 0.46 -0.75 4.34 4.03 1ng9A1 ALA 380 HB3 -0.02 0.03 0.11 -0.04 1.41 1.49 1ng9A1 GLN 381 H -0.04 0.37 -0.28 -0.55 8.47 7.97 1ng9A1 GLN 381 HA -0.06 0.02 0.37 -0.75 4.36 3.94 1ng9A1 GLN 381 HB2 -0.03 0.15 0.19 -0.04 2.15 2.43 1ng9A1 GLN 381 HB3 -0.04 -0.02 -0.02 -0.04 2.02 1.90 1ng9A1 GLN 381 HG2 0.01 -0.07 0.03 -0.04 2.40 2.33 1ng9A1 GLN 381 HG3 -0.00 0.01 0.02 -0.04 2.39 2.38 1ng9A1 GLN 381 HE21 0.01 0.16 -0.10 -0.04 6.97 6.99 1ng9A1 GLN 381 HE22 0.00 0.07 -0.05 -0.04 7.69 7.67 1ng9A1 LEU 382 H -0.07 0.40 -0.30 -0.55 8.37 7.85 1ng9A1 LEU 382 HA -0.17 0.06 0.55 -0.75 4.35 4.03 1ng9A1 LEU 382 HB2 -0.06 0.09 0.11 -0.04 1.64 1.75 1ng9A1 LEU 382 HB3 -0.07 -0.04 0.08 -0.04 1.64 1.57 1ng9A1 LEU 382 HG -0.05 0.08 0.05 -0.04 1.64 1.68 1ng9A1 LEU 382 HD13 -0.02 -0.01 -0.03 -0.04 0.93 0.83 1ng9A1 LEU 382 HD23 -0.06 -0.02 -0.01 -0.04 0.89 0.76 1ng9A1 GLU 383 H -0.08 0.30 -0.41 -0.55 8.60 7.86 1ng9A1 GLU 383 HA -0.06 0.03 0.41 -0.75 4.29 3.92 1ng9A1 GLU 383 HB2 -0.05 0.12 0.13 -0.04 2.09 2.25 1ng9A1 GLU 383 HB3 -0.06 0.12 0.13 -0.04 1.99 2.14 1ng9A1 GLU 383 HG2 -0.04 -0.02 -0.25 -0.04 2.34 1.99 1ng9A1 GLU 383 HG3 -0.04 -0.04 -0.00 -0.04 2.34 2.22 1ng9A1 THR 384 H -0.13 0.25 -0.23 -0.55 8.28 7.62 1ng9A1 THR 384 HA -0.06 0.01 0.27 -0.75 4.39 3.85 1ng9A1 THR 384 HB -0.05 -0.07 0.07 -0.04 4.32 4.23 1ng9A1 THR 384 HG23 -0.07 0.02 0.05 -0.04 1.22 1.18 1ng9A1 VAL 385 H -0.23 0.19 -0.56 -0.55 8.24 7.09 1ng9A1 VAL 385 HA -0.16 0.01 0.33 -0.75 4.13 3.56 1ng9A1 VAL 385 HB -0.17 0.12 0.12 -0.04 2.12 2.14 1ng9A1 VAL 385 HG13 -0.05 -0.01 -0.24 -0.04 0.97 0.63 1ng9A1 VAL 385 HG23 -0.72 0.02 0.01 -0.04 0.95 0.22 1ng9A1 ASP 386 H -0.02 0.19 0.22 -0.55 8.40 8.24 1ng9A1 ASP 386 HA -0.02 0.09 0.53 -0.75 4.63 4.48 1ng9A1 ASP 386 HB2 -0.00 0.08 0.14 -0.04 2.71 2.89 1ng9A1 ASP 386 HB3 0.01 -0.02 0.26 -0.04 2.70 2.91 1ng9A1 SER 387 H -0.01 0.50 0.15 -0.55 8.46 8.55 1ng9A1 SER 387 HA 0.01 0.07 0.54 -0.75 4.49 4.36 1ng9A1 SER 387 HB2 0.02 0.17 -0.09 -0.04 3.95 4.02 1ng9A1 SER 387 HB3 0.00 0.04 -0.06 -0.04 3.93 3.87 1ng9A1 ALA 388 H 0.01 0.19 0.12 -0.55 8.40 8.17 1ng9A1 ALA 388 HA -0.00 0.09 0.36 -0.75 4.34 4.03 1ng9A1 ALA 388 HB3 0.01 0.02 0.10 -0.04 1.41 1.49 1ng9A1 PRO 389 HA 0.02 0.07 0.57 -0.51 4.44 4.59 1ng9A1 PRO 389 HB2 0.03 0.09 -0.05 -0.04 2.28 2.31 1ng9A1 PRO 389 HB3 0.03 0.06 0.04 -0.04 2.02 2.11 1ng9A1 PRO 389 HG2 0.03 0.14 0.10 -0.04 2.03 2.25 1ng9A1 PRO 389 HG3 0.02 0.03 0.07 -0.04 2.03 2.11 1ng9A1 PRO 389 HD2 0.02 0.05 -0.01 -0.04 3.68 3.70 1ng9A1 PRO 389 HD3 0.02 0.07 0.16 -0.04 3.65 3.85 1ng9A1 VAL 390 H 0.01 0.13 -0.35 -0.55 8.24 7.49 1ng9A1 VAL 390 HA 0.01 0.07 0.52 -0.75 4.13 3.98 1ng9A1 VAL 390 HB -0.02 0.17 0.11 -0.04 2.12 2.34 1ng9A1 VAL 390 HG13 -0.04 0.01 -0.03 -0.04 0.97 0.87 1ng9A1 VAL 390 HG23 0.01 -0.02 -0.02 -0.04 0.95 0.88 1ng9A1 GLN 391 H -0.01 0.42 -0.07 -0.55 8.47 8.27 1ng9A1 GLN 391 HA -0.02 0.12 0.54 -0.75 4.36 4.25 1ng9A1 GLN 391 HB2 -0.01 0.03 0.12 -0.04 2.15 2.24 1ng9A1 GLN 391 HB3 -0.02 -0.05 0.08 -0.04 2.02 1.99 1ng9A1 GLN 391 HG2 -0.02 0.15 0.12 -0.04 2.40 2.60 1ng9A1 GLN 391 HG3 -0.02 -0.09 0.02 -0.04 2.39 2.25 1ng9A1 GLN 391 HE21 -0.07 0.22 0.16 -0.04 6.97 7.25 1ng9A1 GLN 391 HE22 -0.05 0.39 0.15 -0.04 7.69 8.14 1ng9A1 ALA 392 H 0.00 0.35 -0.19 -0.55 8.40 8.01 1ng9A1 ALA 392 HA -0.00 0.05 0.58 -0.75 4.34 4.21 1ng9A1 ALA 392 HB3 0.01 0.03 0.11 -0.04 1.41 1.52 1ng9A1 LEU 393 H 0.01 0.40 -0.20 -0.55 8.37 8.04 1ng9A1 LEU 393 HA 0.03 0.04 0.58 -0.75 4.35 4.24 1ng9A1 LEU 393 HB2 0.02 0.14 0.16 -0.04 1.64 1.91 1ng9A1 LEU 393 HB3 0.03 0.02 0.01 -0.04 1.64 1.65 1ng9A1 LEU 393 HG 0.04 -0.00 0.03 -0.04 1.64 1.67 1ng9A1 LEU 393 HD13 0.06 -0.00 -0.07 -0.04 0.93 0.88 1ng9A1 LEU 393 HD23 0.07 0.01 0.03 -0.04 0.89 0.96 1ng9A1 ARG 394 H -0.01 0.35 -0.21 -0.55 8.46 8.05 1ng9A1 ARG 394 HA -0.01 0.07 0.46 -0.75 4.34 4.11 1ng9A1 ARG 394 HB2 -0.03 0.14 0.13 -0.04 1.90 2.11 1ng9A1 ARG 394 HB3 -0.02 0.09 0.11 -0.04 1.80 1.94 1ng9A1 ARG 394 HG2 -0.03 -0.04 -0.14 -0.04 1.67 1.41 1ng9A1 ARG 394 HG3 -0.03 -0.01 0.03 -0.04 1.67 1.62 1ng9A1 ARG 394 HD2 -0.05 -0.05 -0.22 -0.04 3.22 2.86 1ng9A1 ARG 394 HD3 -0.04 0.01 -0.09 -0.04 3.22 3.06 1ng9A1 GLU 395 H -0.01 0.32 -0.38 -0.55 8.60 7.98 1ng9A1 GLU 395 HA -0.04 0.04 0.53 -0.75 4.29 4.06 1ng9A1 GLU 395 HB2 -0.02 0.07 0.13 -0.04 2.09 2.23 1ng9A1 GLU 395 HB3 -0.01 0.13 0.11 -0.04 1.99 2.18 1ng9A1 GLU 395 HG2 -0.02 -0.04 0.00 -0.04 2.34 2.24 1ng9A1 GLU 395 HG3 -0.03 -0.02 -0.10 -0.04 2.34 2.16 1ng9A1 LYS 396 H 0.00 0.27 -0.30 -0.55 8.42 7.84 1ng9A1 LYS 396 HA 0.01 0.01 0.34 -0.75 4.32 3.93 1ng9A1 LYS 396 HB2 0.03 0.10 0.15 -0.04 1.87 2.10 1ng9A1 LYS 396 HB3 0.04 0.06 0.11 -0.04 1.79 1.95 1ng9A1 LYS 396 HG2 0.06 0.14 -0.11 -0.04 1.46 1.51 1ng9A1 LYS 396 HG3 0.05 -0.07 0.05 -0.04 1.46 1.44 1ng9A1 LYS 396 HD2 0.04 -0.04 0.00 -0.04 1.69 1.65 1ng9A1 LYS 396 HD3 0.05 0.00 -0.01 -0.04 1.68 1.68 1ng9A1 LYS 396 HE2 0.06 0.12 0.07 -0.04 2.99 3.20 1ng9A1 LYS 396 HE3 0.05 -0.04 0.01 -0.04 2.99 2.97 1ng9A1 MET 397 H 0.01 0.34 -0.35 -0.55 8.47 7.92 1ng9A1 MET 397 HA 0.10 -0.02 0.52 -0.75 4.52 4.36 1ng9A1 MET 397 HB2 0.08 -0.04 0.10 -0.04 2.15 2.25 1ng9A1 MET 397 HB3 0.04 0.00 0.04 -0.04 2.03 2.07 1ng9A1 MET 397 HG2 -0.00 0.20 0.04 -0.04 2.63 2.83 1ng9A1 MET 397 HG3 0.02 0.13 -0.18 -0.04 2.56 2.48 1ng9A1 MET 397 HE3 0.03 -0.01 -0.02 -0.04 2.10 2.06 1ng9A1 GLY 398 H -0.07 0.21 -0.53 -0.55 8.43 7.49 1ng9A1 GLY 398 HA2 -0.27 0.02 0.27 -0.51 4.01 3.52 1ng9A1 GLY 398 HA3 -0.61 -0.04 0.24 -0.51 4.01 3.09 1ng9A1 GLU 399 H -0.76 -0.17 0.20 -0.55 8.60 7.32 1ng9A1 GLU 399 HA -0.10 0.27 0.66 -0.75 4.29 4.37 1ng9A1 GLU 399 HB2 -0.16 0.04 -0.16 -0.04 2.09 1.77 1ng9A1 GLU 399 HB3 -0.18 -0.19 -0.01 -0.04 1.99 1.57 1ng9A1 GLU 399 HG2 -0.05 0.05 -0.03 -0.04 2.34 2.27 1ng9A1 GLU 399 HG3 -0.06 0.09 -0.05 -0.04 2.34 2.28 1ng9A1 PHE 400 H -0.58 -0.01 0.19 -0.55 8.34 7.38 1ng9A1 PHE 400 HA -0.28 -0.04 0.41 -0.75 4.62 3.96 1ng9A1 PHE 400 HB2 -0.97 0.24 0.12 -0.04 3.15 2.50 1ng9A1 PHE 400 HB3 -0.74 -0.10 0.14 -0.04 3.06 2.32 1ng9A1 PHE 400 HD2 -0.17 0.04 -0.13 -0.04 7.28 6.99 1ng9A1 PHE 400 HE2 0.02 0.12 -0.09 -0.04 7.38 7.39 1ng9A1 PHE 400 HZ 0.03 0.25 -0.26 -0.04 7.32 7.30 1ng9A1 ALA 401 H -0.13 0.08 0.06 -0.55 8.40 7.87 1ng9A1 ALA 401 HA -0.06 0.24 0.49 -0.75 4.34 4.25 1ng9A1 ALA 401 HB3 -0.06 0.02 0.07 -0.04 1.41 1.40 1ng9A1 GLU 402 H -0.09 0.06 0.00 -0.55 8.60 8.03 1ng9A1 GLU 402 HA -0.02 0.12 0.31 -0.75 4.29 3.95 1ng9A1 GLU 402 HB2 -0.08 -0.02 0.07 -0.04 2.09 2.02 1ng9A1 GLU 402 HB3 -0.02 0.08 0.01 -0.04 1.99 2.02 1ng9A1 GLU 402 HG2 -0.02 0.03 0.02 -0.04 2.34 2.33 1ng9A1 GLU 402 HG3 -0.04 -0.05 0.06 -0.04 2.34 2.27 1ng9A1 LEU 403 H -0.15 0.06 -0.35 -0.55 8.37 7.39 1ng9A1 LEU 403 HA -0.00 0.14 0.71 -0.75 4.35 4.45 1ng9A1 LEU 403 HB2 -0.45 0.08 0.04 -0.04 1.64 1.27 1ng9A1 LEU 403 HB3 0.02 0.06 0.02 -0.04 1.64 1.70 1ng9A1 LEU 403 HG -0.18 -0.18 -0.04 -0.04 1.64 1.20 1ng9A1 LEU 403 HD13 -0.22 0.02 0.02 -0.04 0.93 0.71 1ng9A1 LEU 403 HD23 0.10 0.03 -0.04 -0.04 0.89 0.95 1ng9A1 ARG 404 H -0.16 0.37 -0.08 -0.55 8.46 8.04 1ng9A1 ARG 404 HA 0.33 0.08 0.53 -0.75 4.34 4.53 1ng9A1 ARG 404 HB2 0.02 0.21 0.22 -0.04 1.90 2.31 1ng9A1 ARG 404 HB3 0.03 0.04 0.11 -0.04 1.80 1.93 1ng9A1 ARG 404 HG2 0.18 -0.02 0.10 -0.04 1.67 1.88 1ng9A1 ARG 404 HG3 0.23 -0.00 -0.12 -0.04 1.67 1.74 1ng9A1 ARG 404 HD2 0.06 -0.06 -0.15 -0.04 3.22 3.03 1ng9A1 ARG 404 HD3 0.08 0.01 -0.05 -0.04 3.22 3.21 1ng9A1 ASP 405 H 0.01 0.28 -0.33 -0.55 8.40 7.81 1ng9A1 ASP 405 HA 0.03 0.09 0.48 -0.75 4.63 4.47 1ng9A1 ASP 405 HB2 0.01 0.09 0.08 -0.04 2.71 2.85 1ng9A1 ASP 405 HB3 0.01 0.09 0.03 -0.04 2.70 2.80 1ng9A1 LEU 406 H 0.03 0.21 -0.28 -0.55 8.37 7.78 1ng9A1 LEU 406 HA 0.03 0.03 0.40 -0.75 4.35 4.06 1ng9A1 LEU 406 HB2 0.05 0.04 0.16 -0.04 1.64 1.84 1ng9A1 LEU 406 HB3 0.04 0.08 0.23 -0.04 1.64 1.95 1ng9A1 LEU 406 HG -0.02 0.00 -0.31 -0.04 1.64 1.27 1ng9A1 LEU 406 HD13 0.09 -0.01 0.01 -0.04 0.93 0.98 1ng9A1 LEU 406 HD23 0.06 0.00 -0.04 -0.04 0.89 0.88 1ng9A1 LEU 407 H 0.05 0.50 -0.20 -0.55 8.37 8.18 1ng9A1 LEU 407 HA -0.05 0.02 0.47 -0.75 4.35 4.04 1ng9A1 LEU 407 HB2 0.10 0.10 0.11 -0.04 1.64 1.90 1ng9A1 LEU 407 HB3 0.03 0.02 0.02 -0.04 1.64 1.67 1ng9A1 LEU 407 HG 0.10 0.04 0.02 -0.04 1.64 1.76 1ng9A1 LEU 407 HD13 0.08 0.05 -0.04 -0.04 0.93 0.98 1ng9A1 LEU 407 HD23 -0.01 -0.02 -0.05 -0.04 0.89 0.77 1ng9A1 GLU 408 H 0.03 0.27 -0.36 -0.55 8.60 7.99 1ng9A1 GLU 408 HA 0.01 0.13 0.53 -0.75 4.29 4.21 1ng9A1 GLU 408 HB2 0.03 0.04 0.19 -0.04 2.09 2.31 1ng9A1 GLU 408 HB3 0.02 -0.07 0.01 -0.04 1.99 1.91 1ng9A1 GLU 408 HG2 0.04 -0.04 0.04 -0.04 2.34 2.34 1ng9A1 GLU 408 HG3 0.06 0.09 0.08 -0.04 2.34 2.53 1ng9A1 ARG 409 H -0.02 0.36 -0.24 -0.55 8.46 8.00 1ng9A1 ARG 409 HA 0.01 0.09 0.56 -0.75 4.34 4.25 1ng9A1 ARG 409 HB2 0.02 0.12 0.08 -0.04 1.90 2.08 1ng9A1 ARG 409 HB3 0.10 -0.08 0.01 -0.04 1.80 1.79 1ng9A1 ARG 409 HG2 0.04 -0.04 -0.02 -0.04 1.67 1.61 1ng9A1 ARG 409 HG3 0.03 0.06 -0.01 -0.04 1.67 1.71 1ng9A1 ARG 409 HD2 0.07 -0.04 -0.03 -0.04 3.22 3.19 1ng9A1 ARG 409 HD3 0.04 -0.06 -0.03 -0.04 3.22 3.13 1ng9A1 ALA 410 H -0.16 0.17 -0.38 -0.55 8.40 7.48 1ng9A1 ALA 410 HA -0.57 0.05 0.78 -0.75 4.34 3.85 1ng9A1 ALA 410 HB3 -0.69 -0.01 0.06 -0.04 1.41 0.72 1ng9A1 ILE 411 H -0.08 0.45 0.00 -0.55 8.25 8.07 1ng9A1 ILE 411 HA -0.02 0.19 1.09 -0.75 4.18 4.69 1ng9A1 ILE 411 HB -0.01 0.14 0.06 -0.04 1.89 2.04 1ng9A1 ILE 411 HG12 -0.07 -0.10 -0.17 -0.04 1.49 1.10 1ng9A1 ILE 411 HG13 0.01 -0.03 -0.07 -0.04 1.21 1.07 1ng9A1 ILE 411 HG23 0.02 0.04 0.02 -0.04 0.93 0.97 1ng9A1 ILE 411 HD13 0.06 0.02 -0.18 -0.04 0.88 0.73 1ng9A1 ILE 412 H 0.00 0.44 0.15 -0.55 8.25 8.30 1ng9A1 ILE 412 HA 0.00 -0.02 0.39 -0.75 4.18 3.80 1ng9A1 ILE 412 HB -0.00 0.02 -0.13 -0.04 1.89 1.74 1ng9A1 ILE 412 HG12 0.00 0.20 -0.17 -0.04 1.49 1.49 1ng9A1 ILE 412 HG13 0.00 0.01 -0.11 -0.04 1.21 1.07 1ng9A1 ILE 412 HG23 -0.00 -0.07 -0.03 -0.04 0.93 0.79 1ng9A1 ILE 412 HD13 0.01 -0.02 -0.28 -0.04 0.88 0.55 1ng9A1 ASP 413 H 0.00 0.04 0.12 -0.55 8.40 8.01 1ng9A1 ASP 413 HA -0.00 0.14 0.46 -0.75 4.63 4.47 1ng9A1 ASP 413 HB2 -0.00 -0.10 0.16 -0.04 2.71 2.73 1ng9A1 ASP 413 HB3 -0.01 0.03 0.00 -0.04 2.70 2.68 1ng9A1 THR 414 H -0.01 0.01 -0.17 -0.55 8.28 7.56 1ng9A1 THR 414 HA -0.02 0.26 0.82 -0.75 4.39 4.69 1ng9A1 THR 414 HB -0.02 0.04 0.04 -0.04 4.32 4.33 1ng9A1 THR 414 HG23 -0.03 -0.01 -0.18 -0.04 1.22 0.96 1ng9A1 PRO 415 HA -0.01 0.12 0.34 -0.51 4.44 4.38 1ng9A1 PRO 415 HB2 -0.02 0.02 -0.01 -0.04 2.28 2.24 1ng9A1 PRO 415 HB3 -0.00 0.01 0.09 -0.04 2.02 2.08 1ng9A1 PRO 415 HG2 0.00 -0.06 -0.33 -0.04 2.03 1.60 1ng9A1 PRO 415 HG3 0.01 0.10 -0.06 -0.04 2.03 2.04 1ng9A1 PRO 415 HD2 -0.02 0.03 0.04 -0.04 3.68 3.70 1ng9A1 PRO 415 HD3 -0.01 0.39 -0.26 -0.04 3.65 3.72 1ng9A1 PRO 416 HA -0.02 0.10 0.48 -0.51 4.44 4.49 1ng9A1 PRO 416 HB2 -0.04 -0.02 0.07 -0.04 2.28 2.24 1ng9A1 PRO 416 HB3 -0.03 -0.02 0.14 -0.04 2.02 2.07 1ng9A1 PRO 416 HG2 -0.05 0.17 -0.02 -0.04 2.03 2.10 1ng9A1 PRO 416 HG3 -0.03 0.04 0.08 -0.04 2.03 2.08 1ng9A1 PRO 416 HD2 -0.04 0.01 -0.00 -0.04 3.68 3.61 1ng9A1 PRO 416 HD3 -0.03 0.32 0.16 -0.04 3.65 4.06 1ng9A1 VAL 417 H -0.02 0.11 0.17 -0.55 8.24 7.94 1ng9A1 VAL 417 HA -0.02 0.09 0.48 -0.75 4.13 3.92 1ng9A1 VAL 417 HB -0.01 -0.01 0.05 -0.04 2.12 2.11 1ng9A1 VAL 417 HG13 -0.02 0.02 0.05 -0.04 0.97 0.98 1ng9A1 VAL 417 HG23 -0.02 -0.00 0.06 -0.04 0.95 0.95 1ng9A1 LEU 418 H -0.04 0.11 -0.05 -0.55 8.37 7.84 1ng9A1 LEU 418 HA -0.05 0.24 0.94 -0.75 4.35 4.73 1ng9A1 LEU 418 HB2 -0.03 -0.01 0.04 -0.04 1.64 1.60 1ng9A1 LEU 418 HB3 -0.03 -0.16 0.13 -0.04 1.64 1.53 1ng9A1 LEU 418 HG -0.01 -0.01 -0.39 -0.04 1.64 1.18 1ng9A1 LEU 418 HD13 -0.01 0.01 -0.01 -0.04 0.93 0.88 1ng9A1 LEU 418 HD23 0.01 0.03 0.05 -0.04 0.89 0.94 1ng9A1 VAL 419 H -0.13 0.20 0.16 -0.55 8.24 7.93 1ng9A1 VAL 419 HA -0.20 0.19 0.75 -0.75 4.13 4.13 1ng9A1 VAL 419 HB -0.68 0.06 0.04 -0.04 2.12 1.50 1ng9A1 VAL 419 HG13 -0.19 0.02 -0.07 -0.04 0.97 0.70 1ng9A1 VAL 419 HG23 -0.39 -0.00 0.03 -0.04 0.95 0.55 1ng9A1 ARG 420 H -0.06 0.03 -0.01 -0.55 8.46 7.87 1ng9A1 ARG 420 HA -0.03 0.11 0.36 -0.75 4.34 4.03 1ng9A1 ARG 420 HB2 0.01 0.02 0.11 -0.04 1.90 2.00 1ng9A1 ARG 420 HB3 -0.01 -0.06 0.05 -0.04 1.80 1.75 1ng9A1 ARG 420 HG2 0.01 0.04 -0.24 -0.04 1.67 1.44 1ng9A1 ARG 420 HG3 0.04 0.03 0.02 -0.04 1.67 1.72 1ng9A1 ARG 420 HD2 0.02 -0.01 -0.06 -0.04 3.22 3.13 1ng9A1 ARG 420 HD3 0.13 0.00 -0.04 -0.04 3.22 3.28 1ng9A1 ASP 421 H -0.05 0.06 -0.33 -0.55 8.40 7.53 1ng9A1 ASP 421 HA -0.03 0.14 0.59 -0.75 4.63 4.57 1ng9A1 ASP 421 HB2 -0.04 0.11 -0.03 -0.04 2.71 2.71 1ng9A1 ASP 421 HB3 -0.03 0.00 0.07 -0.04 2.70 2.70 1ng9A1 GLY 422 H -0.07 0.20 -0.35 -0.55 8.43 7.66 1ng9A1 GLY 422 HA2 -0.06 0.01 0.35 -0.51 4.01 3.80 1ng9A1 GLY 422 HA3 -0.04 0.11 0.60 -0.51 4.01 4.17 1ng9A1 GLY 423 H -0.02 0.12 0.18 -0.55 8.43 8.16 1ng9A1 GLY 423 HA2 -0.01 0.03 0.32 -0.51 4.01 3.84 1ng9A1 GLY 423 HA3 -0.02 0.15 0.63 -0.51 4.01 4.26 1ng9A1 VAL 424 H -0.03 -0.08 -0.02 -0.55 8.24 7.56 1ng9A1 VAL 424 HA -0.02 0.20 0.82 -0.75 4.13 4.37 1ng9A1 VAL 424 HB -0.08 -0.08 0.10 -0.04 2.12 2.02 1ng9A1 VAL 424 HG13 -0.00 0.02 -0.13 -0.04 0.97 0.82 1ng9A1 VAL 424 HG23 -0.15 0.00 -0.14 -0.04 0.95 0.62 1ng9A1 ILE 425 H 0.02 -0.09 0.15 -0.55 8.25 7.78 1ng9A1 ILE 425 HA 0.03 0.46 0.69 -0.75 4.18 4.61 1ng9A1 ILE 425 HB 0.08 -0.13 0.14 -0.04 1.89 1.94 1ng9A1 ILE 425 HG12 0.07 -0.16 0.10 -0.04 1.49 1.47 1ng9A1 ILE 425 HG13 0.12 -0.01 0.10 -0.04 1.21 1.38 1ng9A1 ILE 425 HG23 0.20 0.06 -0.02 -0.04 0.93 1.13 1ng9A1 ILE 425 HD13 0.12 0.04 -0.07 -0.04 0.88 0.92 1ng9A1 ALA 426 H 0.02 0.46 0.01 -0.55 8.40 8.35 1ng9A1 ALA 426 HA 0.03 0.06 0.31 -0.75 4.34 3.99 1ng9A1 ALA 426 HB3 0.02 0.04 -0.29 -0.04 1.41 1.14 1ng9A1 SER 427 H 0.04 0.12 0.10 -0.55 8.46 8.17 1ng9A1 SER 427 HA 0.05 -0.02 0.47 -0.75 4.49 4.24 1ng9A1 SER 427 HB2 0.03 0.05 0.09 -0.04 3.95 4.08 1ng9A1 SER 427 HB3 0.03 -0.01 0.05 -0.04 3.93 3.95 1ng9A1 GLY 428 H 0.05 0.08 0.12 -0.55 8.43 8.13 1ng9A1 GLY 428 HA2 0.04 -0.05 0.27 -0.51 4.01 3.76 1ng9A1 GLY 428 HA3 0.06 0.24 0.60 -0.51 4.01 4.39 1ng9A1 TYR 429 H 0.18 0.34 -0.30 -0.55 8.29 7.95 1ng9A1 TYR 429 HA 0.02 0.11 0.39 -0.75 4.56 4.33 1ng9A1 TYR 429 HB2 0.02 0.39 0.15 -0.04 3.06 3.58 1ng9A1 TYR 429 HB3 0.02 -0.04 0.09 -0.04 2.98 3.01 1ng9A1 TYR 429 HD2 0.02 -0.01 -0.04 -0.04 7.15 7.08 1ng9A1 TYR 429 HE2 0.01 -0.01 -0.02 -0.04 6.85 6.80 1ng9A1 ASN 430 H 0.05 0.13 -0.09 -0.55 8.53 8.08 1ng9A1 ASN 430 HA -0.14 0.20 0.75 -0.75 4.76 4.82 1ng9A1 ASN 430 HB2 -0.14 0.16 -0.14 -0.04 2.88 2.72 1ng9A1 ASN 430 HB3 0.01 -0.12 0.07 -0.04 2.79 2.72 1ng9A1 ASN 430 HD21 0.00 0.11 -0.00 -0.04 7.03 7.11 1ng9A1 ASN 430 HD22 0.02 -0.44 -0.12 -0.04 7.74 7.17 1ng9A1 GLU 431 H -0.05 0.27 0.09 -0.55 8.60 8.36 1ng9A1 GLU 431 HA -0.02 0.09 0.35 -0.75 4.29 3.95 1ng9A1 GLU 431 HB2 -0.04 0.03 0.15 -0.04 2.09 2.18 1ng9A1 GLU 431 HB3 -0.05 0.03 -0.05 -0.04 1.99 1.88 1ng9A1 GLU 431 HG2 -0.04 0.00 0.03 -0.04 2.34 2.29 1ng9A1 GLU 431 HG3 -0.03 0.03 0.01 -0.04 2.34 2.32 1ng9A1 GLU 432 H -0.02 0.13 -0.10 -0.55 8.60 8.05 1ng9A1 GLU 432 HA -0.14 0.11 0.42 -0.75 4.29 3.93 1ng9A1 GLU 432 HB2 -0.00 0.01 0.09 -0.04 2.09 2.14 1ng9A1 GLU 432 HB3 0.09 0.03 -0.02 -0.04 1.99 2.05 1ng9A1 GLU 432 HG2 0.03 0.01 -0.03 -0.04 2.34 2.31 1ng9A1 GLU 432 HG3 -0.11 0.01 0.03 -0.04 2.34 2.23 1ng9A1 LEU 433 H 0.06 0.14 -0.34 -0.55 8.37 7.68 1ng9A1 LEU 433 HA 0.25 0.09 0.42 -0.75 4.35 4.36 1ng9A1 LEU 433 HB2 0.10 -0.03 0.04 -0.04 1.64 1.70 1ng9A1 LEU 433 HB3 0.08 0.11 0.02 -0.04 1.64 1.81 1ng9A1 LEU 433 HG 0.10 -0.03 0.02 -0.04 1.64 1.69 1ng9A1 LEU 433 HD13 0.09 0.02 0.04 -0.04 0.93 1.04 1ng9A1 LEU 433 HD23 0.08 0.01 -0.07 -0.04 0.89 0.87 1ng9A1 ASP 434 H 0.03 0.31 -0.23 -0.55 8.40 7.96 1ng9A1 ASP 434 HA 0.04 0.08 0.52 -0.75 4.63 4.52 1ng9A1 ASP 434 HB2 -0.01 0.14 0.14 -0.04 2.71 2.94 1ng9A1 ASP 434 HB3 0.00 0.00 0.03 -0.04 2.70 2.70 1ng9A1 GLU 435 H -0.07 0.36 -0.13 -0.55 8.60 8.21 1ng9A1 GLU 435 HA -0.08 0.10 0.71 -0.75 4.29 4.26 1ng9A1 GLU 435 HB2 -0.20 -0.01 0.14 -0.04 2.09 1.97 1ng9A1 GLU 435 HB3 -0.15 0.02 0.10 -0.04 1.99 1.92 1ng9A1 GLU 435 HG2 -0.43 0.16 0.07 -0.04 2.34 2.10 1ng9A1 GLU 435 HG3 -0.65 -0.00 -0.17 -0.04 2.34 1.48 1ng9A1 TRP 436 H 0.09 0.26 -0.34 -0.55 7.97 7.44 1ng9A1 TRP 436 HA -0.03 0.13 0.75 -0.75 4.62 4.72 1ng9A1 TRP 436 HB2 -0.02 0.06 0.13 -0.04 3.23 3.37 1ng9A1 TRP 436 HB3 -0.02 0.01 0.06 -0.04 3.23 3.23 1ng9A1 TRP 436 HD1 -0.02 -0.06 -0.20 -0.04 7.22 6.90 1ng9A1 TRP 436 HE1 -0.02 -0.04 -0.05 -0.04 10.20 10.05 1ng9A1 TRP 436 HE3 -0.04 0.04 0.14 -0.04 7.59 7.69 1ng9A1 TRP 436 HZ2 -0.02 -0.01 -0.01 -0.04 7.44 7.36 1ng9A1 TRP 436 HZ3 -0.04 -0.01 0.03 -0.04 7.13 7.07 1ng9A1 TRP 436 HH2 -0.02 -0.01 -0.01 -0.04 7.19 7.10 1ng9A1 ARG 437 H 0.12 0.18 -0.38 -0.55 8.46 7.83 1ng9A1 ARG 437 HA 0.08 0.10 0.64 -0.75 4.34 4.41 1ng9A1 ARG 437 HB2 0.05 -0.05 0.16 -0.04 1.90 2.01 1ng9A1 ARG 437 HB3 0.07 0.21 0.21 -0.04 1.80 2.25 1ng9A1 ARG 437 HG2 0.03 0.20 -0.16 -0.04 1.67 1.70 1ng9A1 ARG 437 HG3 0.03 -0.18 0.00 -0.04 1.67 1.48 1ng9A1 ARG 437 HD2 0.04 0.00 0.03 -0.04 3.22 3.25 1ng9A1 ARG 437 HD3 0.03 0.00 0.11 -0.04 3.22 3.32 1ng9A1 ALA 438 H 0.05 0.21 -0.53 -0.55 8.40 7.58 1ng9A1 ALA 438 HA 0.02 -0.06 0.55 -0.75 4.34 4.09 1ng9A1 ALA 438 HB3 -0.00 0.05 0.11 -0.04 1.41 1.53 1ng9A1 LEU 439 H 0.03 -0.10 0.21 -0.55 8.37 7.97 1ng9A1 LEU 439 HA 0.01 0.04 0.57 -0.75 4.35 4.22 1ng9A1 LEU 439 HB2 -0.02 0.06 -0.04 -0.04 1.64 1.60 1ng9A1 LEU 439 HB3 0.04 0.06 -0.97 -0.04 1.64 0.73 1ng9A1 LEU 439 HG 0.00 -0.03 -0.24 -0.04 1.64 1.33 1ng9A1 LEU 439 HD13 -0.06 0.00 -0.05 -0.04 0.93 0.78 1ng9A1 LEU 439 HD23 0.01 0.01 -0.08 -0.04 0.89 0.78 1ng9A1 ALA 440 H 0.03 0.59 0.25 -0.55 8.40 8.73 1ng9A1 ALA 440 HA 0.02 0.11 0.55 -0.75 4.34 4.27 1ng9A1 ALA 440 HB3 0.02 0.04 0.17 -0.04 1.41 1.59 1ng9A1 ASP 441 H 0.03 0.08 0.07 -0.55 8.40 8.03 1ng9A1 ASP 441 HA 0.03 0.32 0.84 -0.75 4.63 5.07 1ng9A1 ASP 441 HB2 0.02 0.01 0.06 -0.04 2.71 2.77 1ng9A1 ASP 441 HB3 0.02 0.00 0.03 -0.04 2.70 2.72 1ng9A1 GLY 442 H 0.05 -0.14 -0.34 -0.55 8.43 7.45 1ng9A1 GLY 442 HA2 0.07 0.14 0.69 -0.51 4.01 4.41 1ng9A1 GLY 442 HA3 0.07 0.08 0.22 -0.51 4.01 3.88 1ng9A1 ALA 443 H 0.08 0.29 -0.27 -0.55 8.40 7.96 1ng9A1 ALA 443 HA 0.18 -0.02 0.82 -0.75 4.34 4.56 1ng9A1 ALA 443 HB3 0.15 0.05 0.08 -0.04 1.41 1.65 1ng9A1 THR 444 H 0.07 0.02 0.14 -0.55 8.28 7.95 1ng9A1 THR 444 HA 0.02 -0.08 0.33 -0.75 4.39 3.91 1ng9A1 THR 444 HB 0.02 0.01 0.13 -0.04 4.32 4.44 1ng9A1 THR 444 HG23 0.05 0.00 -0.15 -0.04 1.22 1.08 1ng9A1 ASP 445 H 0.05 0.34 -0.99 -0.55 8.40 7.26 1ng9A1 ASP 445 HA 0.01 0.15 0.59 -0.75 4.63 4.63 1ng9A1 ASP 445 HB2 0.05 0.19 -0.16 -0.04 2.71 2.75 1ng9A1 ASP 445 HB3 0.07 -0.00 -0.07 -0.04 2.70 2.65 1ng9A1 TYR 446 H 0.11 0.29 -0.09 -0.55 8.29 8.06 1ng9A1 TYR 446 HA -0.09 0.15 0.36 -0.75 4.56 4.23 1ng9A1 TYR 446 HB2 -0.09 0.08 0.11 -0.04 3.06 3.12 1ng9A1 TYR 446 HB3 -0.23 0.11 0.24 -0.04 2.98 3.06 1ng9A1 TYR 446 HD2 -0.51 -0.01 -0.10 -0.04 7.15 6.49 1ng9A1 TYR 446 HE2 -0.35 0.00 -0.06 -0.04 6.85 6.41 1ng9A1 LEU 447 H -0.01 -0.06 0.01 -0.55 8.37 7.75 1ng9A1 LEU 447 HA -0.30 0.13 0.40 -0.75 4.35 3.83 1ng9A1 LEU 447 HB2 0.00 -0.11 0.13 -0.04 1.64 1.63 1ng9A1 LEU 447 HB3 -0.02 0.14 0.01 -0.04 1.64 1.74 1ng9A1 LEU 447 HG -0.12 -0.05 0.08 -0.04 1.64 1.51 1ng9A1 LEU 447 HD13 0.24 -0.00 0.01 -0.04 0.93 1.14 1ng9A1 LEU 447 HD23 -0.08 0.03 -0.04 -0.04 0.89 0.76 1ng9A1 GLU 448 H -0.06 0.16 -0.37 -0.55 8.60 7.79 1ng9A1 GLU 448 HA -0.05 0.09 0.63 -0.75 4.29 4.20 1ng9A1 GLU 448 HB2 -0.02 0.00 0.14 -0.04 2.09 2.18 1ng9A1 GLU 448 HB3 -0.03 0.23 0.07 -0.04 1.99 2.22 1ng9A1 GLU 448 HG2 -0.02 0.06 0.03 -0.04 2.34 2.37 1ng9A1 GLU 448 HG3 -0.03 -0.03 -0.12 -0.04 2.34 2.11 1ng9A1 ARG 449 H -0.14 0.26 -0.33 -0.55 8.46 7.69 1ng9A1 ARG 449 HA -0.09 0.06 0.52 -0.75 4.34 4.08 1ng9A1 ARG 449 HB2 -0.20 0.10 0.16 -0.04 1.90 1.92 1ng9A1 ARG 449 HB3 -0.13 -0.04 0.02 -0.04 1.80 1.61 1ng9A1 ARG 449 HG2 -0.05 -0.04 0.04 -0.04 1.67 1.58 1ng9A1 ARG 449 HG3 -0.06 0.17 0.09 -0.04 1.67 1.83 1ng9A1 ARG 449 HD2 -0.03 -0.04 0.00 -0.04 3.22 3.11 1ng9A1 ARG 449 HD3 -0.02 -0.01 0.00 -0.04 3.22 3.15 1ng9A1 LEU 450 H -0.36 0.37 -0.22 -0.55 8.37 7.62 1ng9A1 LEU 450 HA -0.22 0.05 0.48 -0.75 4.35 3.90 1ng9A1 LEU 450 HB2 -0.72 0.02 0.06 -0.04 1.64 0.96 1ng9A1 LEU 450 HB3 -0.38 0.07 0.11 -0.04 1.64 1.41 1ng9A1 LEU 450 HG -0.13 0.02 -0.20 -0.04 1.64 1.29 1ng9A1 LEU 450 HD13 -0.12 -0.02 -0.00 -0.04 0.93 0.75 1ng9A1 LEU 450 HD23 -0.12 -0.01 -0.06 -0.04 0.89 0.66 1ng9A1 GLU 451 H -0.13 0.26 -0.40 -0.55 8.60 7.79 1ng9A1 GLU 451 HA -0.03 0.04 0.38 -0.75 4.29 3.92 1ng9A1 GLU 451 HB2 -0.04 0.04 0.20 -0.04 2.09 2.25 1ng9A1 GLU 451 HB3 -0.04 0.10 0.27 -0.04 1.99 2.28 1ng9A1 GLU 451 HG2 -0.01 0.05 -0.19 -0.04 2.34 2.15 1ng9A1 GLU 451 HG3 0.01 -0.01 -0.04 -0.04 2.34 2.25 1ng9A1 VAL 452 H -0.05 0.54 0.02 -0.55 8.24 8.20 1ng9A1 VAL 452 HA -0.02 0.07 0.36 -0.75 4.13 3.79 1ng9A1 VAL 452 HB -0.03 0.04 0.14 -0.04 2.12 2.23 1ng9A1 VAL 452 HG13 -0.04 0.04 0.08 -0.04 0.97 1.00 1ng9A1 VAL 452 HG23 -0.02 -0.01 -0.02 -0.04 0.95 0.86 1ng9A1 ARG 453 H -0.06 0.42 -0.29 -0.55 8.46 7.98 1ng9A1 ARG 453 HA -0.03 0.02 0.40 -0.75 4.34 3.98 1ng9A1 ARG 453 HB2 -0.06 0.06 0.15 -0.04 1.90 2.00 1ng9A1 ARG 453 HB3 -0.07 0.05 0.16 -0.04 1.80 1.89 1ng9A1 ARG 453 HG2 -0.03 -0.01 -0.23 -0.04 1.67 1.36 1ng9A1 ARG 453 HG3 -0.03 -0.04 0.02 -0.04 1.67 1.58 1ng9A1 ARG 453 HD2 -0.03 -0.03 -0.03 -0.04 3.22 3.10 1ng9A1 ARG 453 HD3 -0.05 0.02 -0.01 -0.04 3.22 3.14 1ng9A1 GLU 454 H -0.03 0.46 -0.30 -0.55 8.60 8.19 1ng9A1 GLU 454 HA 0.02 0.04 0.60 -0.75 4.29 4.19 1ng9A1 GLU 454 HB2 0.03 0.19 0.12 -0.04 2.09 2.39 1ng9A1 GLU 454 HB3 0.13 -0.06 0.03 -0.04 1.99 2.05 1ng9A1 GLU 454 HG2 -0.01 0.03 0.03 -0.04 2.34 2.34 1ng9A1 GLU 454 HG3 0.02 -0.07 0.01 -0.04 2.34 2.26 1ng9A1 ARG 455 H -0.00 0.55 -0.13 -0.55 8.46 8.33 1ng9A1 ARG 455 HA 0.01 0.05 0.53 -0.75 4.34 4.18 1ng9A1 ARG 455 HB2 0.01 0.15 0.07 -0.04 1.90 2.09 1ng9A1 ARG 455 HB3 -0.00 0.01 0.10 -0.04 1.80 1.87 1ng9A1 ARG 455 HG2 0.00 -0.12 -0.15 -0.04 1.67 1.37 1ng9A1 ARG 455 HG3 0.01 0.09 0.04 -0.04 1.67 1.77 1ng9A1 ARG 455 HD2 -0.00 -0.06 -0.06 -0.04 3.22 3.06 1ng9A1 ARG 455 HD3 0.01 -0.00 -0.00 -0.04 3.22 3.18 1ng9A1 GLU 456 H -0.01 0.48 -0.22 -0.55 8.60 8.30 1ng9A1 GLU 456 HA -0.01 0.06 0.40 -0.75 4.29 3.99 1ng9A1 GLU 456 HB2 -0.01 0.11 0.16 -0.04 2.09 2.31 1ng9A1 GLU 456 HB3 -0.01 -0.02 -0.05 -0.04 1.99 1.86 1ng9A1 GLU 456 HG2 -0.01 -0.03 -0.00 -0.04 2.34 2.26 1ng9A1 GLU 456 HG3 -0.01 0.04 0.02 -0.04 2.34 2.34 1ng9A1 ARG 457 H -0.01 0.47 -0.01 -0.55 8.46 8.36 1ng9A1 ARG 457 HA -0.02 0.02 0.41 -0.75 4.34 4.00 1ng9A1 ARG 457 HB2 -0.01 0.01 0.17 -0.04 1.90 2.03 1ng9A1 ARG 457 HB3 -0.00 0.01 0.20 -0.04 1.80 1.96 1ng9A1 ARG 457 HG2 -0.03 0.02 -0.23 -0.04 1.67 1.39 1ng9A1 ARG 457 HG3 -0.02 -0.02 0.05 -0.04 1.67 1.64 1ng9A1 ARG 457 HD2 -0.00 -0.04 -0.00 -0.04 3.22 3.14 1ng9A1 ARG 457 HD3 0.00 0.00 -0.00 -0.04 3.22 3.18 1ng9A1 THR 458 H -0.02 0.23 -0.50 -0.55 8.28 7.45 1ng9A1 THR 458 HA -0.08 0.09 0.52 -0.75 4.39 4.17 1ng9A1 THR 458 HB -0.03 0.43 0.21 -0.04 4.32 4.89 1ng9A1 THR 458 HG23 -0.10 -0.06 -0.06 -0.04 1.22 0.96 1ng9A1 GLY 459 H -0.03 0.26 -0.27 -0.55 8.43 7.84 1ng9A1 GLY 459 HA2 -0.02 0.03 0.32 -0.51 4.01 3.82 1ng9A1 GLY 459 HA3 -0.03 0.06 0.51 -0.51 4.01 4.04 1ng9A1 LEU 460 H -0.03 0.17 -0.23 -0.55 8.37 7.74 1ng9A1 LEU 460 HA -0.02 0.11 0.79 -0.75 4.35 4.47 1ng9A1 LEU 460 HB2 -0.02 0.01 0.12 -0.04 1.64 1.71 1ng9A1 LEU 460 HB3 -0.02 -0.14 0.03 -0.04 1.64 1.47 1ng9A1 LEU 460 HG -0.08 0.18 -0.27 -0.04 1.64 1.43 1ng9A1 LEU 460 HD13 -0.12 0.02 -0.18 -0.04 0.93 0.61 1ng9A1 LEU 460 HD23 -0.08 0.01 -0.07 -0.04 0.89 0.71 1ng9A1 ASP 461 H -0.00 0.21 0.15 -0.55 8.40 8.21 1ng9A1 ASP 461 HA 0.00 0.14 0.16 -0.75 4.63 4.18 1ng9A1 ASP 461 HB2 0.00 0.02 0.09 -0.04 2.71 2.78 1ng9A1 ASP 461 HB3 -0.00 0.06 0.07 -0.04 2.70 2.79 1ng9A1 THR 462 H 0.02 0.00 -0.26 -0.55 8.28 7.49 1ng9A1 THR 462 HA 0.03 0.16 0.56 -0.75 4.39 4.38 1ng9A1 THR 462 HB 0.04 0.02 0.08 -0.04 4.32 4.42 1ng9A1 THR 462 HG23 0.02 -0.00 0.01 -0.04 1.22 1.20 1ng9A1 LEU 463 H 0.03 0.35 -0.21 -0.55 8.37 7.99 1ng9A1 LEU 463 HA 0.08 0.34 0.55 -0.75 4.35 4.57 1ng9A1 LEU 463 HB2 0.05 0.01 0.16 -0.04 1.64 1.81 1ng9A1 LEU 463 HB3 0.04 -0.02 0.11 -0.04 1.64 1.73 1ng9A1 LEU 463 HG 0.13 0.08 -0.06 -0.04 1.64 1.75 1ng9A1 LEU 463 HD13 0.14 -0.01 -0.15 -0.04 0.93 0.88 1ng9A1 LEU 463 HD23 0.06 -0.02 -0.28 -0.04 0.89 0.61 1ng9A1 LYS 464 H 0.10 0.44 0.41 -0.55 8.42 8.82 1ng9A1 LYS 464 HA 0.04 0.14 0.65 -0.75 4.32 4.40 1ng9A1 LYS 464 HB2 0.09 -0.05 -0.04 -0.04 1.87 1.82 1ng9A1 LYS 464 HB3 0.05 0.02 0.13 -0.04 1.79 1.95 1ng9A1 LYS 464 HG2 0.08 0.15 0.01 -0.04 1.46 1.65 1ng9A1 LYS 464 HG3 0.09 -0.09 -0.05 -0.04 1.46 1.37 1ng9A1 LYS 464 HD2 0.04 -0.07 -0.05 -0.04 1.69 1.58 1ng9A1 LYS 464 HD3 0.04 0.13 -0.24 -0.04 1.68 1.57 1ng9A1 LYS 464 HE2 0.05 -0.05 -0.03 -0.04 2.99 2.92 1ng9A1 LYS 464 HE3 0.04 -0.07 -0.03 -0.04 2.99 2.89 1ng9A1 VAL 465 H 0.02 0.21 0.18 -0.55 8.24 8.10 1ng9A1 VAL 465 HA 0.00 0.29 1.18 -0.75 4.13 4.84 1ng9A1 VAL 465 HB -0.03 -0.01 0.18 -0.04 2.12 2.23 1ng9A1 VAL 465 HG13 -0.01 -0.00 -0.09 -0.04 0.97 0.82 1ng9A1 VAL 465 HG23 -0.02 -0.01 -0.14 -0.04 0.95 0.74 1ng9A1 GLY 466 H -0.62 0.42 0.27 -0.55 8.43 7.96 1ng9A1 GLY 466 HA2 -0.13 0.16 0.90 -0.51 4.01 4.44 1ng9A1 GLY 466 HA3 -0.38 0.05 0.25 -0.51 4.01 3.42 1ng9A1 PHE 467 H -0.04 0.22 0.18 -0.55 8.34 8.14 1ng9A1 PHE 467 HA -0.43 0.21 0.77 -0.75 4.62 4.41 1ng9A1 PHE 467 HB2 -0.63 -0.01 -0.07 -0.04 3.15 2.40 1ng9A1 PHE 467 HB3 -0.22 0.01 0.01 -0.04 3.06 2.82 1ng9A1 PHE 467 HD2 -0.89 -0.02 -0.18 -0.04 7.28 6.15 1ng9A1 PHE 467 HE2 -0.15 -0.01 -0.10 -0.04 7.38 7.09 1ng9A1 PHE 467 HZ -0.09 0.07 -0.08 -0.04 7.32 7.18 1ng9A1 ASN 468 H -1.11 0.37 -0.04 -0.55 8.53 7.20 1ng9A1 ASN 468 HA -0.26 0.12 0.62 -0.75 4.76 4.48 1ng9A1 ASN 468 HB2 0.08 0.12 -0.11 -0.04 2.88 2.93 1ng9A1 ASN 468 HB3 -0.01 0.14 -0.01 -0.04 2.79 2.87 1ng9A1 ASN 468 HD21 -0.03 0.04 0.02 -0.04 7.03 7.02 1ng9A1 ASN 468 HD22 -0.05 0.09 0.11 -0.04 7.74 7.85 1ng9A1 ALA 469 H -0.22 0.20 0.10 -0.55 8.40 7.93 1ng9A1 ALA 469 HA -0.22 0.09 0.28 -0.75 4.34 3.73 1ng9A1 ALA 469 HB3 -0.03 0.02 0.08 -0.04 1.41 1.45 1ng9A1 VAL 470 H -0.17 -0.02 -0.25 -0.55 8.24 7.25 1ng9A1 VAL 470 HA -0.17 0.15 0.37 -0.75 4.13 3.73 1ng9A1 VAL 470 HB -0.24 -0.05 0.05 -0.04 2.12 1.83 1ng9A1 VAL 470 HG13 -0.49 0.02 -0.09 -0.04 0.97 0.37 1ng9A1 VAL 470 HG23 -0.10 -0.01 -0.00 -0.04 0.95 0.80 1ng9A1 HIS 471 H -0.10 -0.04 -0.11 -0.55 8.41 7.61 1ng9A1 HIS 471 HA -0.04 0.22 0.71 -0.75 4.63 4.77 1ng9A1 HIS 471 HB2 -0.06 -0.02 -0.07 -0.04 3.26 3.07 1ng9A1 HIS 471 HB3 -0.03 0.05 -0.06 -0.04 3.20 3.11 1ng9A1 HIS 471 HD2 -0.04 0.10 -0.02 -0.04 6.97 6.96 1ng9A1 HIS 471 HE1 -0.06 -0.01 -0.04 -0.04 7.75 7.60 1ng9A1 GLY 472 H -0.24 0.33 -0.05 -0.55 8.43 7.93 1ng9A1 GLY 472 HA2 -0.14 0.02 0.29 -0.51 4.01 3.67 1ng9A1 GLY 472 HA3 0.10 0.15 0.67 -0.51 4.01 4.41 1ng9A1 TYR 473 H 0.43 0.07 0.16 -0.55 8.29 8.41 1ng9A1 TYR 473 HA 0.06 0.19 0.74 -0.75 4.56 4.80 1ng9A1 TYR 473 HB2 0.18 -0.02 0.10 -0.04 3.06 3.28 1ng9A1 TYR 473 HB3 0.10 0.01 0.04 -0.04 2.98 3.09 1ng9A1 TYR 473 HD2 0.18 0.03 0.01 -0.04 7.15 7.33 1ng9A1 TYR 473 HE2 0.02 0.01 -0.02 -0.04 6.85 6.81 1ng9A1 TYR 474 H -0.21 0.51 0.38 -0.55 8.29 8.42 1ng9A1 TYR 474 HA 0.08 0.26 0.81 -0.75 4.56 4.96 1ng9A1 TYR 474 HB2 0.02 -0.08 -0.03 -0.04 3.06 2.93 1ng9A1 TYR 474 HB3 0.02 0.12 -0.36 -0.04 2.98 2.72 1ng9A1 TYR 474 HD2 -0.00 0.11 -0.41 -0.04 7.15 6.80 1ng9A1 TYR 474 HE2 -0.02 0.02 -0.35 -0.04 6.85 6.45 1ng9A1 ILE 475 H 0.19 0.63 0.33 -0.55 8.25 8.84 1ng9A1 ILE 475 HA 0.13 0.22 0.95 -0.75 4.18 4.73 1ng9A1 ILE 475 HB -0.12 -0.05 0.10 -0.04 1.89 1.77 1ng9A1 ILE 475 HG12 -0.04 0.06 -0.04 -0.04 1.49 1.43 1ng9A1 ILE 475 HG13 -0.03 -0.08 -0.22 -0.04 1.21 0.84 1ng9A1 ILE 475 HG23 0.10 0.02 -0.17 -0.04 0.93 0.84 1ng9A1 ILE 475 HD13 -0.34 -0.02 -0.11 -0.04 0.88 0.37 1ng9A1 GLN 476 H 0.27 0.64 0.28 -0.55 8.47 9.11 1ng9A1 GLN 476 HA 0.15 0.25 1.00 -0.75 4.36 5.00 1ng9A1 GLN 476 HB2 0.17 -0.07 -0.06 -0.04 2.15 2.15 1ng9A1 GLN 476 HB3 0.19 -0.03 0.09 -0.04 2.02 2.24 1ng9A1 GLN 476 HG2 0.05 0.01 -0.30 -0.04 2.40 2.12 1ng9A1 GLN 476 HG3 -0.05 0.04 -0.17 -0.04 2.39 2.18 1ng9A1 GLN 476 HE21 0.06 -0.02 -0.10 -0.04 6.97 6.87 1ng9A1 GLN 476 HE22 0.08 0.05 -0.12 -0.04 7.69 7.66 1ng9A1 ILE 477 H 0.19 0.70 0.35 -0.55 8.25 8.94 1ng9A1 ILE 477 HA 0.10 0.09 0.51 -0.75 4.18 4.13 1ng9A1 ILE 477 HB 0.21 0.01 -0.02 -0.04 1.89 2.06 1ng9A1 ILE 477 HG12 0.11 0.02 -0.10 -0.04 1.49 1.48 1ng9A1 ILE 477 HG13 0.23 -0.06 -0.57 -0.04 1.21 0.77 1ng9A1 ILE 477 HG23 0.04 0.02 -0.16 -0.04 0.93 0.80 1ng9A1 ILE 477 HD13 0.04 0.01 -0.09 -0.04 0.88 0.81 1ng9A1 SER 478 H 0.05 0.07 0.02 -0.55 8.46 8.06 1ng9A1 SER 478 HA 0.04 0.24 0.64 -0.75 4.49 4.65 1ng9A1 SER 478 HB2 0.03 0.11 0.18 -0.04 3.95 4.22 1ng9A1 SER 478 HB3 0.03 0.07 0.13 -0.04 3.93 4.12 1ng9A1 ARG 479 H 0.03 0.45 -0.03 -0.55 8.46 8.36 1ng9A1 ARG 479 HA 0.05 0.09 0.36 -0.75 4.34 4.08 1ng9A1 ARG 479 HB2 0.01 0.00 -0.10 -0.04 1.90 1.77 1ng9A1 ARG 479 HB3 0.02 -0.03 0.09 -0.04 1.80 1.85 1ng9A1 ARG 479 HG2 0.02 -0.01 -0.18 -0.04 1.67 1.47 1ng9A1 ARG 479 HG3 0.03 -0.02 -0.02 -0.04 1.67 1.62 1ng9A1 ARG 479 HD2 0.00 0.20 0.13 -0.04 3.22 3.51 1ng9A1 ARG 479 HD3 0.00 -0.02 0.02 -0.04 3.22 3.17 1ng9A1 GLY 480 H 0.04 0.11 -0.10 -0.55 8.43 7.94 1ng9A1 GLY 480 HA2 0.08 0.12 0.37 -0.51 4.01 4.07 1ng9A1 GLY 480 HA3 0.06 0.05 0.26 -0.51 4.01 3.86 1ng9A1 GLN 481 H 0.06 0.10 -0.52 -0.55 8.47 7.56 1ng9A1 GLN 481 HA -0.03 0.25 0.85 -0.75 4.36 4.67 1ng9A1 GLN 481 HB2 0.02 -0.07 0.01 -0.04 2.15 2.06 1ng9A1 GLN 481 HB3 -0.03 0.04 0.08 -0.04 2.02 2.07 1ng9A1 GLN 481 HG2 -0.00 0.13 -0.02 -0.04 2.40 2.46 1ng9A1 GLN 481 HG3 0.02 -0.07 -0.11 -0.04 2.39 2.19 1ng9A1 GLN 481 HE21 -0.00 -0.16 0.11 -0.04 6.97 6.87 1ng9A1 GLN 481 HE22 0.00 0.10 0.02 -0.04 7.69 7.77 1ng9A1 SER 482 H 0.10 0.39 -0.19 -0.55 8.46 8.21 1ng9A1 SER 482 HA 0.07 0.03 0.24 -0.75 4.49 4.08 1ng9A1 SER 482 HB2 0.22 -0.02 0.03 -0.04 3.95 4.14 1ng9A1 SER 482 HB3 0.14 0.03 -0.03 -0.04 3.93 4.02 1ng9A1 HIS 483 H 0.23 0.15 -0.26 -0.55 8.41 7.99 1ng9A1 HIS 483 HA 0.02 0.13 0.56 -0.75 4.63 4.59 1ng9A1 HIS 483 HB2 0.01 0.01 0.11 -0.04 3.26 3.35 1ng9A1 HIS 483 HB3 0.01 -0.02 0.05 -0.04 3.20 3.20 1ng9A1 HIS 483 HD2 -0.01 -0.01 -0.10 -0.04 6.97 6.81 1ng9A1 HIS 483 HE1 0.00 0.14 0.05 -0.04 7.75 7.89 1ng9A1 LEU 484 H -0.26 0.31 -0.53 -0.55 8.37 7.33 1ng9A1 LEU 484 HA -0.21 0.15 0.75 -0.75 4.35 4.29 1ng9A1 LEU 484 HB2 -0.22 0.15 0.04 -0.04 1.64 1.56 1ng9A1 LEU 484 HB3 -0.19 -0.00 0.11 -0.04 1.64 1.52 1ng9A1 LEU 484 HG -0.91 -0.10 -0.15 -0.04 1.64 0.44 1ng9A1 LEU 484 HD13 -0.15 -0.01 0.03 -0.04 0.93 0.76 1ng9A1 LEU 484 HD23 -0.18 0.01 -0.03 -0.04 0.89 0.65 1ng9A1 ALA 485 H -0.14 0.24 -0.24 -0.55 8.40 7.71 1ng9A1 ALA 485 HA -0.33 0.04 0.32 -0.75 4.34 3.61 1ng9A1 ALA 485 HB3 -0.38 -0.01 0.07 -0.04 1.41 1.04 1ng9A1 PRO 486 HA -0.21 0.09 0.48 -0.51 4.44 4.29 1ng9A1 PRO 486 HB2 -0.36 -0.16 0.04 -0.04 2.28 1.75 1ng9A1 PRO 486 HB3 -0.20 0.01 0.15 -0.04 2.02 1.94 1ng9A1 PRO 486 HG2 -0.82 -0.00 0.07 -0.04 2.03 1.24 1ng9A1 PRO 486 HG3 -0.36 0.13 0.10 -0.04 2.03 1.86 1ng9A1 PRO 486 HD2 -1.73 0.04 0.17 -0.04 3.68 2.12 1ng9A1 PRO 486 HD3 -0.59 0.20 0.22 -0.04 3.65 3.43 1ng9A1 ILE 487 H -0.08 0.11 0.19 -0.55 8.25 7.93 1ng9A1 ILE 487 HA -0.01 0.24 0.63 -0.75 4.18 4.28 1ng9A1 ILE 487 HB 0.01 0.02 0.10 -0.04 1.89 1.98 1ng9A1 ILE 487 HG12 -0.02 -0.06 0.07 -0.04 1.49 1.44 1ng9A1 ILE 487 HG13 0.00 0.02 -0.29 -0.04 1.21 0.91 1ng9A1 ILE 487 HG23 -0.03 0.02 0.03 -0.04 0.93 0.91 1ng9A1 ILE 487 HD13 -0.00 0.00 -0.01 -0.04 0.88 0.83 1ng9A1 ASN 488 H -0.02 -0.02 -0.06 -0.55 8.53 7.89 1ng9A1 ASN 488 HA 0.06 0.09 0.54 -0.75 4.76 4.70 1ng9A1 ASN 488 HB2 0.03 -0.05 0.09 -0.04 2.88 2.91 1ng9A1 ASN 488 HB3 0.15 0.01 -0.14 -0.04 2.79 2.77 1ng9A1 ASN 488 HD21 0.03 0.01 0.02 -0.04 7.03 7.05 1ng9A1 ASN 488 HD22 0.02 0.01 0.03 -0.04 7.74 7.76 1ng9A1 TYR 489 H 0.12 0.15 -0.56 -0.55 8.29 7.45 1ng9A1 TYR 489 HA 0.01 -0.00 0.41 -0.75 4.56 4.23 1ng9A1 TYR 489 HB2 -0.33 0.32 0.04 -0.04 3.06 3.05 1ng9A1 TYR 489 HB3 -0.43 -0.02 -0.12 -0.04 2.98 2.36 1ng9A1 TYR 489 HD2 -0.41 -0.04 -0.13 -0.04 7.15 6.52 1ng9A1 TYR 489 HE2 -0.07 -0.01 -0.07 -0.04 6.85 6.66 1ng9A1 MET 490 H 0.13 0.40 0.40 -0.55 8.47 8.85 1ng9A1 MET 490 HA 0.15 0.09 0.55 -0.75 4.52 4.56 1ng9A1 MET 490 HB2 0.09 -0.09 0.10 -0.04 2.15 2.20 1ng9A1 MET 490 HB3 0.08 0.01 0.05 -0.04 2.03 2.13 1ng9A1 MET 490 HG2 0.08 0.05 0.04 -0.04 2.63 2.76 1ng9A1 MET 490 HG3 0.08 0.07 0.20 -0.04 2.56 2.87 1ng9A1 MET 490 HE3 0.05 -0.02 -0.15 -0.04 2.10 1.94 1ng9A1 ARG 491 H 0.12 0.14 0.18 -0.55 8.46 8.36 1ng9A1 ARG 491 HA -0.11 0.07 0.50 -0.75 4.34 4.05 1ng9A1 ARG 491 HB2 0.08 0.05 0.12 -0.04 1.90 2.12 1ng9A1 ARG 491 HB3 -0.02 -0.01 0.10 -0.04 1.80 1.84 1ng9A1 ARG 491 HG2 -0.35 0.03 -0.03 -0.04 1.67 1.28 1ng9A1 ARG 491 HG3 -0.26 0.02 -0.03 -0.04 1.67 1.35 1ng9A1 ARG 491 HD2 -0.10 -0.02 -0.07 -0.04 3.22 2.98 1ng9A1 ARG 491 HD3 -0.04 0.01 -0.04 -0.04 3.22 3.10 1ng9A1 ARG 492 H -0.18 0.44 0.41 -0.55 8.46 8.57 1ng9A1 ARG 492 HA -0.02 0.16 0.72 -0.75 4.34 4.45 1ng9A1 ARG 492 HB2 0.01 -0.11 -0.13 -0.04 1.90 1.63 1ng9A1 ARG 492 HB3 -0.04 -0.01 -0.20 -0.04 1.80 1.51 1ng9A1 ARG 492 HG2 0.05 0.01 -0.00 -0.04 1.67 1.68 1ng9A1 ARG 492 HG3 0.07 -0.08 -0.12 -0.04 1.67 1.49 1ng9A1 ARG 492 HD2 0.11 -0.06 -0.25 -0.04 3.22 2.97 1ng9A1 ARG 492 HD3 0.11 0.07 -0.07 -0.04 3.22 3.28 1ng9A1 GLN 493 H -0.24 0.37 0.16 -0.55 8.47 8.21 1ng9A1 GLN 493 HA -0.28 0.14 0.76 -0.75 4.36 4.23 1ng9A1 GLN 493 HB2 -0.51 0.08 -0.31 -0.04 2.15 1.37 1ng9A1 GLN 493 HB3 -0.37 -0.08 -0.07 -0.04 2.02 1.46 1ng9A1 GLN 493 HG2 -0.38 0.10 -0.26 -0.04 2.40 1.82 1ng9A1 GLN 493 HG3 -0.95 0.04 -0.00 -0.04 2.39 1.43 1ng9A1 GLN 493 HE21 -0.14 -0.06 -0.10 -0.04 6.97 6.64 1ng9A1 GLN 493 HE22 -0.21 0.08 -0.11 -0.04 7.69 7.41 1ng9A1 THR 494 H -0.19 0.20 0.16 -0.55 8.28 7.90 1ng9A1 THR 494 HA -0.17 0.13 1.01 -0.75 4.39 4.60 1ng9A1 THR 494 HB -0.10 -0.01 0.08 -0.04 4.32 4.26 1ng9A1 THR 494 HG23 -0.07 0.02 -0.03 -0.04 1.22 1.10 1ng9A1 LEU 495 H -0.10 0.49 0.33 -0.55 8.37 8.54 1ng9A1 LEU 495 HA -0.08 0.17 0.80 -0.75 4.35 4.49 1ng9A1 LEU 495 HB2 -0.09 0.07 0.04 -0.04 1.64 1.63 1ng9A1 LEU 495 HB3 -0.07 -0.16 0.13 -0.04 1.64 1.51 1ng9A1 LEU 495 HG -0.18 -0.01 -0.55 -0.04 1.64 0.87 1ng9A1 LEU 495 HD13 -0.15 -0.01 -0.14 -0.04 0.93 0.59 1ng9A1 LEU 495 HD23 -0.11 0.04 -0.03 -0.04 0.89 0.75 1ng9A1 LYS 496 H -0.04 0.14 0.15 -0.55 8.42 8.12 1ng9A1 LYS 496 HA -0.03 0.13 0.43 -0.75 4.32 4.10 1ng9A1 LYS 496 HB2 -0.02 0.01 0.17 -0.04 1.87 1.99 1ng9A1 LYS 496 HB3 -0.02 -0.02 0.10 -0.04 1.79 1.81 1ng9A1 LYS 496 HG2 -0.01 0.01 -0.01 -0.04 1.46 1.41 1ng9A1 LYS 496 HG3 -0.02 0.02 0.06 -0.04 1.46 1.49 1ng9A1 LYS 496 HD2 -0.01 0.00 0.03 -0.04 1.69 1.67 1ng9A1 LYS 496 HD3 -0.01 -0.01 -0.00 -0.04 1.68 1.62 1ng9A1 LYS 496 HE2 -0.01 -0.00 0.00 -0.04 2.99 2.94 1ng9A1 LYS 496 HE3 -0.01 0.01 0.01 -0.04 2.99 2.96 1ng9A1 ASN 497 H -0.03 0.07 -0.06 -0.55 8.53 7.96 1ng9A1 ASN 497 HA -0.00 0.24 0.89 -0.75 4.76 5.13 1ng9A1 ASN 497 HB2 -0.01 0.02 0.08 -0.04 2.88 2.94 1ng9A1 ASN 497 HB3 0.00 -0.03 0.22 -0.04 2.79 2.93 1ng9A1 ASN 497 HD21 -0.01 0.05 -0.04 -0.04 7.03 6.99 1ng9A1 ASN 497 HD22 -0.01 0.00 -0.00 -0.04 7.74 7.69 1ng9A1 ALA 498 H -0.03 0.33 -0.32 -0.55 8.40 7.83 1ng9A1 ALA 498 HA 0.01 -0.04 0.55 -0.75 4.34 4.10 1ng9A1 ALA 498 HB3 -0.03 0.06 -0.13 -0.04 1.41 1.27 1ng9A1 GLU 499 H 0.04 0.42 0.15 -0.55 8.60 8.66 1ng9A1 GLU 499 HA -0.16 0.12 1.04 -0.75 4.29 4.55 1ng9A1 GLU 499 HB2 0.13 -0.00 0.05 -0.04 2.09 2.23 1ng9A1 GLU 499 HB3 -0.37 0.06 0.02 -0.04 1.99 1.66 1ng9A1 GLU 499 HG2 -0.01 -0.11 -0.20 -0.04 2.34 1.98 1ng9A1 GLU 499 HG3 0.06 0.03 -0.04 -0.04 2.34 2.35 1ng9A1 ARG 500 H -0.34 0.49 0.33 -0.55 8.46 8.39 1ng9A1 ARG 500 HA 0.00 0.29 1.02 -0.75 4.34 4.89 1ng9A1 ARG 500 HB2 -0.31 0.14 0.15 -0.04 1.90 1.83 1ng9A1 ARG 500 HB3 -0.18 -0.01 -0.07 -0.04 1.80 1.50 1ng9A1 ARG 500 HG2 -0.50 -0.04 -0.20 -0.04 1.67 0.89 1ng9A1 ARG 500 HG3 -0.28 -0.04 -0.45 -0.04 1.67 0.86 1ng9A1 ARG 500 HD2 -0.46 0.02 -0.22 -0.04 3.22 2.52 1ng9A1 ARG 500 HD3 -1.02 0.01 -0.19 -0.04 3.22 1.97 1ng9A1 TYR 501 H 0.21 0.42 0.35 -0.55 8.29 8.72 1ng9A1 TYR 501 HA 0.02 0.05 1.07 -0.75 4.56 4.94 1ng9A1 TYR 501 HB2 -0.14 -0.06 -0.05 -0.04 3.06 2.77 1ng9A1 TYR 501 HB3 -0.00 0.11 -0.11 -0.04 2.98 2.93 1ng9A1 TYR 501 HD2 0.12 0.15 -0.39 -0.04 7.15 6.99 1ng9A1 TYR 501 HE2 0.08 0.01 -0.13 -0.04 6.85 6.77 1ng9A1 ILE 502 H 0.13 0.87 0.36 -0.55 8.25 9.06 1ng9A1 ILE 502 HA 0.04 0.05 0.77 -0.75 4.18 4.29 1ng9A1 ILE 502 HB 0.09 0.10 -0.08 -0.04 1.89 1.97 1ng9A1 ILE 502 HG12 0.08 0.03 -0.04 -0.04 1.49 1.52 1ng9A1 ILE 502 HG13 0.06 -0.09 -0.04 -0.04 1.21 1.11 1ng9A1 ILE 502 HG23 0.07 0.03 -0.10 -0.04 0.93 0.89 1ng9A1 ILE 502 HD13 0.13 0.03 -0.07 -0.04 0.88 0.93 1ng9A1 ILE 503 H 0.00 0.12 0.18 -0.55 8.25 8.00 1ng9A1 ILE 503 HA 0.02 0.33 0.75 -0.75 4.18 4.53 1ng9A1 ILE 503 HB 0.01 0.04 0.10 -0.04 1.89 2.00 1ng9A1 ILE 503 HG12 -0.11 0.07 -0.01 -0.04 1.49 1.40 1ng9A1 ILE 503 HG13 -0.00 -0.42 0.05 -0.04 1.21 0.79 1ng9A1 ILE 503 HG23 -0.17 0.05 -0.20 -0.04 0.93 0.57 1ng9A1 ILE 503 HD13 -0.01 0.04 -0.03 -0.04 0.88 0.84 1ng9A1 PRO 504 HA 0.04 0.08 0.34 -0.51 4.44 4.38 1ng9A1 PRO 504 HB2 0.04 0.02 0.05 -0.04 2.28 2.35 1ng9A1 PRO 504 HB3 0.03 0.07 0.10 -0.04 2.02 2.19 1ng9A1 PRO 504 HG2 0.04 0.08 0.10 -0.04 2.03 2.21 1ng9A1 PRO 504 HG3 0.04 0.09 0.11 -0.04 2.03 2.23 1ng9A1 PRO 504 HD2 0.04 0.12 0.22 -0.04 3.68 4.01 1ng9A1 PRO 504 HD3 0.05 0.25 0.22 -0.04 3.65 4.13 1ng9A1 GLU 505 H 0.04 0.09 -0.37 -0.55 8.60 7.81 1ng9A1 GLU 505 HA 0.05 0.13 0.48 -0.75 4.29 4.20 1ng9A1 GLU 505 HB2 0.05 0.04 0.06 -0.04 2.09 2.19 1ng9A1 GLU 505 HB3 0.06 -0.02 0.04 -0.04 1.99 2.03 1ng9A1 GLU 505 HG2 0.16 -0.02 -0.09 -0.04 2.34 2.34 1ng9A1 GLU 505 HG3 0.08 0.03 0.02 -0.04 2.34 2.43 1ng9A1 LEU 506 H 0.05 0.18 0.03 -0.55 8.37 8.09 1ng9A1 LEU 506 HA 0.11 0.08 0.54 -0.75 4.35 4.32 1ng9A1 LEU 506 HB2 0.04 0.01 0.07 -0.04 1.64 1.72 1ng9A1 LEU 506 HB3 0.05 -0.04 0.11 -0.04 1.64 1.72 1ng9A1 LEU 506 HG 0.15 0.03 -0.19 -0.04 1.64 1.59 1ng9A1 LEU 506 HD13 0.02 -0.01 0.02 -0.04 0.93 0.92 1ng9A1 LEU 506 HD23 0.06 0.02 -0.17 -0.04 0.89 0.77 1ng9A1 LYS 507 H 0.06 0.45 -0.12 -0.55 8.42 8.25 1ng9A1 LYS 507 HA 0.10 0.09 0.56 -0.75 4.32 4.32 1ng9A1 LYS 507 HB2 0.06 0.02 -0.04 -0.04 1.87 1.86 1ng9A1 LYS 507 HB3 0.05 0.08 -0.08 -0.04 1.79 1.79 1ng9A1 LYS 507 HG2 0.08 0.01 0.05 -0.04 1.46 1.57 1ng9A1 LYS 507 HG3 0.06 0.03 -0.05 -0.04 1.46 1.46 1ng9A1 LYS 507 HD2 0.05 -0.05 -0.07 -0.04 1.69 1.58 1ng9A1 LYS 507 HD3 0.05 0.04 -0.01 -0.04 1.68 1.72 1ng9A1 LYS 507 HE2 0.04 0.03 -0.04 -0.04 2.99 2.99 1ng9A1 LYS 507 HE3 0.04 -0.01 -0.06 -0.04 2.99 2.92 1ng9A1 GLU 508 H 0.05 0.35 -0.26 -0.55 8.60 8.19 1ng9A1 GLU 508 HA 0.01 0.06 0.51 -0.75 4.29 4.12 1ng9A1 GLU 508 HB2 0.02 0.08 0.18 -0.04 2.09 2.33 1ng9A1 GLU 508 HB3 0.03 0.14 0.21 -0.04 1.99 2.33 1ng9A1 GLU 508 HG2 -0.01 -0.04 -0.11 -0.04 2.34 2.14 1ng9A1 GLU 508 HG3 0.01 -0.01 0.06 -0.04 2.34 2.36 1ng9A1 TYR 509 H 0.08 0.33 -0.18 -0.55 8.29 7.97 1ng9A1 TYR 509 HA -0.20 0.06 0.53 -0.75 4.56 4.20 1ng9A1 TYR 509 HB2 -0.42 0.04 0.11 -0.04 3.06 2.74 1ng9A1 TYR 509 HB3 -0.21 0.07 0.17 -0.04 2.98 2.97 1ng9A1 TYR 509 HD2 -0.67 0.06 -0.08 -0.04 7.15 6.42 1ng9A1 TYR 509 HE2 -0.53 0.04 -0.05 -0.04 6.85 6.27 1ng9A1 GLU 510 H 0.02 0.40 -0.26 -0.55 8.60 8.21 1ng9A1 GLU 510 HA -0.11 0.01 0.54 -0.75 4.29 3.97 1ng9A1 GLU 510 HB2 0.30 -0.04 0.18 -0.04 2.09 2.49 1ng9A1 GLU 510 HB3 0.12 0.13 0.26 -0.04 1.99 2.46 1ng9A1 GLU 510 HG2 0.14 0.05 -0.25 -0.04 2.34 2.24 1ng9A1 GLU 510 HG3 0.34 -0.07 0.05 -0.04 2.34 2.62 1ng9A1 ASP 511 H -0.01 0.47 -0.14 -0.55 8.40 8.16 1ng9A1 ASP 511 HA -0.00 0.06 0.43 -0.75 4.63 4.36 1ng9A1 ASP 511 HB2 -0.01 0.09 0.17 -0.04 2.71 2.91 1ng9A1 ASP 511 HB3 -0.01 -0.03 0.05 -0.04 2.70 2.67 1ng9A1 LYS 512 H -0.12 0.35 -0.23 -0.55 8.42 7.87 1ng9A1 LYS 512 HA -0.05 0.07 0.51 -0.75 4.32 4.09 1ng9A1 LYS 512 HB2 -0.04 -0.02 0.10 -0.04 1.87 1.87 1ng9A1 LYS 512 HB3 -0.07 0.11 0.14 -0.04 1.79 1.93 1ng9A1 LYS 512 HG2 -0.31 0.07 0.15 -0.04 1.46 1.33 1ng9A1 LYS 512 HG3 -0.17 0.00 -0.15 -0.04 1.46 1.10 1ng9A1 LYS 512 HD2 -0.07 0.04 -0.04 -0.04 1.69 1.58 1ng9A1 LYS 512 HD3 -0.10 -0.05 0.01 -0.04 1.68 1.50 1ng9A1 LYS 512 HE2 -0.04 0.02 -0.00 -0.04 2.99 2.93 1ng9A1 LYS 512 HE3 -0.03 -0.01 0.01 -0.04 2.99 2.93 1ng9A1 VAL 513 H -0.36 0.51 -0.07 -0.55 8.24 7.77 1ng9A1 VAL 513 HA -0.23 0.07 0.47 -0.75 4.13 3.69 1ng9A1 VAL 513 HB -1.00 0.08 0.18 -0.04 2.12 1.34 1ng9A1 VAL 513 HG13 -0.22 0.00 0.09 -0.04 0.97 0.80 1ng9A1 VAL 513 HG23 -0.20 -0.03 -0.01 -0.04 0.95 0.67 1ng9A1 LEU 514 H -0.10 0.37 -0.30 -0.55 8.37 7.79 1ng9A1 LEU 514 HA -0.07 0.06 0.50 -0.75 4.35 4.09 1ng9A1 LEU 514 HB2 -0.01 0.12 0.11 -0.04 1.64 1.82 1ng9A1 LEU 514 HB3 -0.01 -0.03 0.05 -0.04 1.64 1.61 1ng9A1 LEU 514 HG 0.06 0.12 0.10 -0.04 1.64 1.88 1ng9A1 LEU 514 HD13 0.16 -0.01 0.00 -0.04 0.93 1.04 1ng9A1 LEU 514 HD23 -0.06 -0.02 -0.07 -0.04 0.89 0.70 1ng9A1 THR 515 H -0.07 0.44 -0.08 -0.55 8.28 8.02 1ng9A1 THR 515 HA -0.10 0.07 0.63 -0.75 4.39 4.23 1ng9A1 THR 515 HB -0.09 -0.04 0.04 -0.04 4.32 4.18 1ng9A1 THR 515 HG23 -0.04 0.01 0.10 -0.04 1.22 1.25 1ng9A1 SER 516 H -0.09 0.50 -0.16 -0.55 8.46 8.16 1ng9A1 SER 516 HA -0.48 0.02 0.58 -0.75 4.49 3.85 1ng9A1 SER 516 HB2 0.37 -0.01 0.16 -0.04 3.95 4.44 1ng9A1 SER 516 HB3 0.14 0.04 0.17 -0.04 3.93 4.23 1ng9A1 LYS 517 H -0.11 0.31 -0.25 -0.55 8.42 7.81 1ng9A1 LYS 517 HA -0.08 0.08 0.60 -0.75 4.32 4.17 1ng9A1 LYS 517 HB2 -0.08 0.24 0.19 -0.04 1.87 2.18 1ng9A1 LYS 517 HB3 -0.08 0.03 0.06 -0.04 1.79 1.76 1ng9A1 LYS 517 HG2 -0.06 -0.03 0.07 -0.04 1.46 1.39 1ng9A1 LYS 517 HG3 -0.06 -0.02 0.05 -0.04 1.46 1.39 1ng9A1 LYS 517 HD2 -0.08 -0.00 -0.01 -0.04 1.69 1.56 1ng9A1 LYS 517 HD3 -0.06 0.01 -0.01 -0.04 1.68 1.58 1ng9A1 LYS 517 HE2 -0.09 -0.02 -0.02 -0.04 2.99 2.83 1ng9A1 LYS 517 HE3 -0.05 0.01 -0.00 -0.04 2.99 2.90 1ng9A1 GLY 518 H -0.15 0.41 -0.23 -0.55 8.43 7.92 1ng9A1 GLY 518 HA2 -0.12 0.05 0.55 -0.51 4.01 3.99 1ng9A1 GLY 518 HA3 -0.14 0.11 0.34 -0.51 4.01 3.81 1ng9A1 LYS 519 H -0.39 0.35 -0.23 -0.55 8.42 7.59 1ng9A1 LYS 519 HA -0.41 0.05 0.55 -0.75 4.32 3.75 1ng9A1 LYS 519 HB2 -1.36 0.09 0.20 -0.04 1.87 0.76 1ng9A1 LYS 519 HB3 -1.73 -0.06 0.04 -0.04 1.79 -0.00 1ng9A1 LYS 519 HG2 -0.47 0.16 0.09 -0.04 1.46 1.20 1ng9A1 LYS 519 HG3 -0.94 -0.04 0.00 -0.04 1.46 0.45 1ng9A1 LYS 519 HD2 -0.40 -0.05 0.06 -0.04 1.69 1.26 1ng9A1 LYS 519 HD3 -0.25 0.00 0.00 -0.04 1.68 1.39 1ng9A1 LYS 519 HE2 -0.09 0.00 -0.00 -0.04 2.99 2.86 1ng9A1 LYS 519 HE3 -0.13 -0.00 0.00 -0.04 2.99 2.82 1ng9A1 ALA 520 H -0.32 0.45 -0.26 -0.55 8.40 7.73 1ng9A1 ALA 520 HA -0.10 -0.01 0.48 -0.75 4.34 3.95 1ng9A1 ALA 520 HB3 -0.01 0.05 0.08 -0.04 1.41 1.49 1ng9A1 LEU 521 H -0.13 0.35 -0.30 -0.55 8.37 7.74 1ng9A1 LEU 521 HA -0.05 0.04 0.59 -0.75 4.35 4.17 1ng9A1 LEU 521 HB2 -0.07 0.17 0.15 -0.04 1.64 1.84 1ng9A1 LEU 521 HB3 -0.08 0.04 0.09 -0.04 1.64 1.65 1ng9A1 LEU 521 HG -0.05 -0.07 -0.02 -0.04 1.64 1.46 1ng9A1 LEU 521 HD13 -0.04 -0.01 -0.20 -0.04 0.93 0.63 1ng9A1 LEU 521 HD23 -0.04 0.07 0.04 -0.04 0.89 0.92 1ng9A1 ALA 522 H -0.12 0.41 -0.15 -0.55 8.40 7.99 1ng9A1 ALA 522 HA -0.05 0.07 0.49 -0.75 4.34 4.10 1ng9A1 ALA 522 HB3 -0.10 0.04 0.12 -0.04 1.41 1.43 1ng9A1 LEU 523 H -0.09 0.42 -0.23 -0.55 8.37 7.92 1ng9A1 LEU 523 HA 0.01 0.06 0.48 -0.75 4.35 4.15 1ng9A1 LEU 523 HB2 -0.00 0.15 0.12 -0.04 1.64 1.86 1ng9A1 LEU 523 HB3 0.04 0.05 0.07 -0.04 1.64 1.76 1ng9A1 LEU 523 HG 0.07 -0.03 -0.14 -0.04 1.64 1.50 1ng9A1 LEU 523 HD13 0.07 0.00 0.01 -0.04 0.93 0.97 1ng9A1 LEU 523 HD23 0.21 -0.02 -0.14 -0.04 0.89 0.90 1ng9A1 GLU 524 H -0.00 0.44 -0.20 -0.55 8.60 8.29 1ng9A1 GLU 524 HA 0.06 0.00 0.52 -0.75 4.29 4.11 1ng9A1 GLU 524 HB2 0.01 0.17 0.26 -0.04 2.09 2.49 1ng9A1 GLU 524 HB3 -0.02 0.18 0.21 -0.04 1.99 2.33 1ng9A1 GLU 524 HG2 -0.03 0.07 -0.02 -0.04 2.34 2.32 1ng9A1 GLU 524 HG3 0.03 -0.05 0.15 -0.04 2.34 2.44 1ng9A1 LYS 525 H -0.01 0.44 -0.33 -0.55 8.42 7.97 1ng9A1 LYS 525 HA 0.02 0.03 0.51 -0.75 4.32 4.12 1ng9A1 LYS 525 HB2 -0.01 0.14 0.13 -0.04 1.87 2.09 1ng9A1 LYS 525 HB3 0.01 -0.03 0.03 -0.04 1.79 1.76 1ng9A1 LYS 525 HG2 -0.04 -0.08 -0.02 -0.04 1.46 1.28 1ng9A1 LYS 525 HG3 -0.04 0.06 0.05 -0.04 1.46 1.49 1ng9A1 LYS 525 HD2 -0.03 0.05 -0.07 -0.04 1.69 1.59 1ng9A1 LYS 525 HD3 -0.02 -0.04 -0.00 -0.04 1.68 1.58 1ng9A1 LYS 525 HE2 -0.03 -0.12 -0.05 -0.04 2.99 2.75 1ng9A1 LYS 525 HE3 -0.04 0.13 0.02 -0.04 2.99 3.07 1ng9A1 GLN 526 H 0.02 0.33 -0.23 -0.55 8.47 8.05 1ng9A1 GLN 526 HA 0.02 0.07 0.60 -0.75 4.36 4.29 1ng9A1 GLN 526 HB2 0.01 0.13 0.20 -0.04 2.15 2.44 1ng9A1 GLN 526 HB3 0.02 0.06 0.13 -0.04 2.02 2.20 1ng9A1 GLN 526 HG2 0.01 -0.03 0.05 -0.04 2.40 2.39 1ng9A1 GLN 526 HG3 0.01 0.01 0.06 -0.04 2.39 2.43 1ng9A1 GLN 526 HE21 0.01 -0.03 -0.01 -0.04 6.97 6.91 1ng9A1 GLN 526 HE22 0.01 0.01 -0.00 -0.04 7.69 7.67 1ng9A1 LEU 527 H 0.05 0.49 -0.15 -0.55 8.37 8.22 1ng9A1 LEU 527 HA 0.07 0.06 0.50 -0.75 4.35 4.21 1ng9A1 LEU 527 HB2 0.12 0.10 0.17 -0.04 1.64 1.99 1ng9A1 LEU 527 HB3 0.24 -0.00 0.03 -0.04 1.64 1.87 1ng9A1 LEU 527 HG 0.05 0.08 0.02 -0.04 1.64 1.75 1ng9A1 LEU 527 HD13 0.10 -0.04 -0.08 -0.04 0.93 0.87 1ng9A1 LEU 527 HD23 -0.04 -0.01 -0.01 -0.04 0.89 0.79 1ng9A1 TYR 528 H 0.11 0.29 -0.27 -0.55 8.29 7.87 1ng9A1 TYR 528 HA -0.14 0.08 0.50 -0.75 4.56 4.24 1ng9A1 TYR 528 HB2 -0.08 0.06 0.13 -0.04 3.06 3.13 1ng9A1 TYR 528 HB3 -0.13 0.05 0.15 -0.04 2.98 3.01 1ng9A1 TYR 528 HD2 -0.17 0.02 -0.10 -0.04 7.15 6.86 1ng9A1 TYR 528 HE2 -0.02 0.08 -0.07 -0.04 6.85 6.80 1ng9A1 GLU 529 H -0.02 0.47 -0.08 -0.55 8.60 8.43 1ng9A1 GLU 529 HA -0.38 0.09 0.61 -0.75 4.29 3.85 1ng9A1 GLU 529 HB2 -0.01 0.08 0.17 -0.04 2.09 2.29 1ng9A1 GLU 529 HB3 0.02 -0.03 0.07 -0.04 1.99 2.01 1ng9A1 GLU 529 HG2 0.04 0.06 0.14 -0.04 2.34 2.54 1ng9A1 GLU 529 HG3 0.04 -0.04 0.07 -0.04 2.34 2.37 1ng9A1 GLU 530 H -0.05 0.26 -0.51 -0.55 8.60 7.75 1ng9A1 GLU 530 HA 0.00 0.02 0.50 -0.75 4.29 4.06 1ng9A1 GLU 530 HB2 0.02 0.12 0.22 -0.04 2.09 2.42 1ng9A1 GLU 530 HB3 0.05 0.01 -0.04 -0.04 1.99 1.97 1ng9A1 GLU 530 HG2 0.02 -0.05 0.06 -0.04 2.34 2.33 1ng9A1 GLU 530 HG3 0.01 0.00 0.05 -0.04 2.34 2.36 1ng9A1 LEU 531 H -0.20 0.32 -0.31 -0.55 8.37 7.64 1ng9A1 LEU 531 HA -0.02 0.02 0.47 -0.75 4.35 4.06 1ng9A1 LEU 531 HB2 -0.53 0.23 0.13 -0.04 1.64 1.43 1ng9A1 LEU 531 HB3 -0.16 -0.05 -0.01 -0.04 1.64 1.38 1ng9A1 LEU 531 HG -0.10 0.20 0.12 -0.04 1.64 1.82 1ng9A1 LEU 531 HD13 -0.21 -0.02 -0.03 -0.04 0.93 0.63 1ng9A1 LEU 531 HD23 -0.13 -0.02 -0.03 -0.04 0.89 0.66 1ng9A1 PHE 532 H -0.30 0.32 -0.29 -0.55 8.34 7.51 1ng9A1 PHE 532 HA -0.07 0.02 0.52 -0.75 4.62 4.34 1ng9A1 PHE 532 HB2 -0.05 0.23 0.17 -0.04 3.15 3.46 1ng9A1 PHE 532 HB3 -0.05 0.02 0.05 -0.04 3.06 3.04 1ng9A1 PHE 532 HD2 -0.09 -0.04 0.01 -0.04 7.28 7.13 1ng9A1 PHE 532 HE2 -0.08 0.06 -0.04 -0.04 7.38 7.29 1ng9A1 PHE 532 HZ 0.05 0.29 -0.07 -0.04 7.32 7.55 1ng9A1 ASP 533 H 0.08 0.30 -0.16 -0.55 8.40 8.07 1ng9A1 ASP 533 HA 0.05 0.03 0.40 -0.75 4.63 4.36 1ng9A1 ASP 533 HB2 0.03 0.15 0.19 -0.04 2.71 3.04 1ng9A1 ASP 533 HB3 0.03 -0.05 0.03 -0.04 2.70 2.67 1ng9A1 LEU 534 H 0.05 0.34 -0.35 -0.55 8.37 7.88 1ng9A1 LEU 534 HA 0.03 0.08 0.60 -0.75 4.35 4.31 1ng9A1 LEU 534 HB2 0.07 0.08 0.04 -0.04 1.64 1.79 1ng9A1 LEU 534 HB3 0.08 -0.08 0.05 -0.04 1.64 1.65 1ng9A1 LEU 534 HG 0.05 0.20 0.04 -0.04 1.64 1.90 1ng9A1 LEU 534 HD13 0.10 -0.03 -0.04 -0.04 0.93 0.92 1ng9A1 LEU 534 HD23 0.05 -0.02 -0.04 -0.04 0.89 0.83 1ng9A1 LEU 535 H 0.08 0.41 -0.08 -0.55 8.37 8.23 1ng9A1 LEU 535 HA 0.16 0.02 0.62 -0.75 4.35 4.39 1ng9A1 LEU 535 HB2 0.10 0.09 0.16 -0.04 1.64 1.95 1ng9A1 LEU 535 HB3 0.08 -0.06 -0.04 -0.04 1.64 1.57 1ng9A1 LEU 535 HG 0.08 0.17 0.04 -0.04 1.64 1.89 1ng9A1 LEU 535 HD13 0.09 -0.02 -0.09 -0.04 0.93 0.87 1ng9A1 LEU 535 HD23 0.13 -0.02 -0.03 -0.04 0.89 0.93 1ng9A1 LEU 536 H 0.04 0.56 -0.06 -0.55 8.37 8.36 1ng9A1 LEU 536 HA -0.00 -0.02 0.21 -0.75 4.35 3.79 1ng9A1 LEU 536 HB2 0.00 0.13 0.09 -0.04 1.64 1.83 1ng9A1 LEU 536 HB3 -0.02 -0.07 -0.05 -0.04 1.64 1.47 1ng9A1 LEU 536 HG -0.02 0.02 0.08 -0.04 1.64 1.68 1ng9A1 LEU 536 HD13 -0.03 -0.00 -0.06 -0.04 0.93 0.79 1ng9A1 LEU 536 HD23 -0.09 0.03 -0.11 -0.04 0.89 0.67 1ng9A1 PRO 537 HA -0.08 0.05 0.58 -0.51 4.44 4.48 1ng9A1 PRO 537 HB2 -0.44 -0.02 -0.06 -0.04 2.28 1.72 1ng9A1 PRO 537 HB3 -0.14 -0.01 0.11 -0.04 2.02 1.94 1ng9A1 PRO 537 HG2 -0.28 0.18 -0.09 -0.04 2.03 1.80 1ng9A1 PRO 537 HG3 -0.11 0.04 0.07 -0.04 2.03 1.99 1ng9A1 PRO 537 HD2 -0.03 -0.03 -0.50 -0.04 3.68 3.08 1ng9A1 PRO 537 HD3 -0.04 0.17 0.05 -0.04 3.65 3.79 1ng9A1 HIS 538 H -0.12 0.48 -0.37 -0.55 8.41 7.86 1ng9A1 HIS 538 HA 0.06 0.08 0.71 -0.75 4.63 4.73 1ng9A1 HIS 538 HB2 0.02 0.16 0.11 -0.04 3.26 3.51 1ng9A1 HIS 538 HB3 0.10 -0.12 0.17 -0.04 3.20 3.31 1ng9A1 HIS 538 HD2 0.07 -0.02 -0.04 -0.04 6.97 6.94 1ng9A1 HIS 538 HE1 0.03 0.01 0.01 -0.04 7.75 7.75 1ng9A1 LEU 539 H 0.03 0.47 -0.46 -0.55 8.37 7.87 1ng9A1 LEU 539 HA 0.04 0.04 0.17 -0.75 4.35 3.85 1ng9A1 LEU 539 HB2 0.01 0.17 0.12 -0.04 1.64 1.90 1ng9A1 LEU 539 HB3 0.03 0.01 0.07 -0.04 1.64 1.71 1ng9A1 LEU 539 HG 0.05 -0.03 -0.21 -0.04 1.64 1.42 1ng9A1 LEU 539 HD13 0.01 -0.01 -0.01 -0.04 0.93 0.87 1ng9A1 LEU 539 HD23 0.02 0.02 -0.15 -0.04 0.89 0.74 1ng9A1 GLU 540 H 0.07 0.19 -0.08 -0.55 8.60 8.24 1ng9A1 GLU 540 HA 0.07 0.12 0.40 -0.75 4.29 4.12 1ng9A1 GLU 540 HB2 0.06 0.08 0.13 -0.04 2.09 2.32 1ng9A1 GLU 540 HB3 0.08 -0.05 0.11 -0.04 1.99 2.08 1ng9A1 GLU 540 HG2 0.07 -0.03 -0.13 -0.04 2.34 2.21 1ng9A1 GLU 540 HG3 0.06 0.04 0.04 -0.04 2.34 2.44 1ng9A1 ALA 541 H 0.13 0.13 -0.16 -0.55 8.40 7.96 1ng9A1 ALA 541 HA 0.14 0.07 0.36 -0.75 4.34 4.16 1ng9A1 ALA 541 HB3 0.24 0.03 0.07 -0.04 1.41 1.70 1ng9A1 LEU 542 H 0.11 0.34 -0.40 -0.55 8.37 7.87 1ng9A1 LEU 542 HA -0.04 0.06 0.48 -0.75 4.35 4.09 1ng9A1 LEU 542 HB2 -0.00 0.14 0.14 -0.04 1.64 1.87 1ng9A1 LEU 542 HB3 -0.06 -0.05 -0.03 -0.04 1.64 1.46 1ng9A1 LEU 542 HG -0.23 0.03 0.02 -0.04 1.64 1.43 1ng9A1 LEU 542 HD13 -0.01 -0.02 -0.15 -0.04 0.93 0.72 1ng9A1 LEU 542 HD23 -0.64 -0.02 -0.02 -0.04 0.89 0.17 1ng9A1 GLN 543 H 0.06 0.66 0.02 -0.55 8.47 8.67 1ng9A1 GLN 543 HA 0.04 -0.01 0.50 -0.75 4.36 4.13 1ng9A1 GLN 543 HB2 0.06 0.13 0.21 -0.04 2.15 2.51 1ng9A1 GLN 543 HB3 0.05 -0.04 0.05 -0.04 2.02 2.04 1ng9A1 GLN 543 HG2 0.05 -0.03 0.05 -0.04 2.40 2.43 1ng9A1 GLN 543 HG3 0.05 0.09 0.07 -0.04 2.39 2.56 1ng9A1 GLN 543 HE21 0.05 0.23 0.14 -0.04 6.97 7.35 1ng9A1 GLN 543 HE22 0.05 0.08 0.06 -0.04 7.69 7.83 1ng9A1 GLN 544 H 0.10 0.49 -0.20 -0.55 8.47 8.31 1ng9A1 GLN 544 HA 0.07 -0.01 0.48 -0.75 4.36 4.15 1ng9A1 GLN 544 HB2 0.10 0.05 0.17 -0.04 2.15 2.43 1ng9A1 GLN 544 HB3 0.08 0.09 0.04 -0.04 2.02 2.18 1ng9A1 GLN 544 HG2 0.06 -0.05 0.04 -0.04 2.40 2.41 1ng9A1 GLN 544 HG3 0.06 -0.00 0.01 -0.04 2.39 2.41 1ng9A1 GLN 544 HE21 0.04 -0.04 -0.02 -0.04 6.97 6.91 1ng9A1 GLN 544 HE22 0.04 -0.01 -0.01 -0.04 7.69 7.67 1ng9A1 SER 545 H 0.16 0.35 -0.30 -0.55 8.46 8.12 1ng9A1 SER 545 HA 0.13 0.07 0.38 -0.75 4.49 4.32 1ng9A1 SER 545 HB2 0.44 0.07 0.07 -0.04 3.95 4.49 1ng9A1 SER 545 HB3 0.26 0.07 0.18 -0.04 3.93 4.40 1ng9A1 ALA 546 H 0.08 0.41 -0.25 -0.55 8.40 8.10 1ng9A1 ALA 546 HA 0.04 0.04 0.51 -0.75 4.34 4.18 1ng9A1 ALA 546 HB3 0.02 0.02 0.04 -0.04 1.41 1.45 1ng9A1 SER 547 H 0.06 0.50 -0.17 -0.55 8.46 8.30 1ng9A1 SER 547 HA 0.04 -0.01 0.38 -0.75 4.49 4.15 1ng9A1 SER 547 HB2 0.05 -0.01 0.09 -0.04 3.95 4.05 1ng9A1 SER 547 HB3 0.06 0.17 0.21 -0.04 3.93 4.33 1ng9A1 ALA 548 H 0.06 0.65 -0.13 -0.55 8.40 8.43 1ng9A1 ALA 548 HA 0.06 -0.01 0.47 -0.75 4.34 4.11 1ng9A1 ALA 548 HB3 0.05 0.05 0.02 -0.04 1.41 1.49 1ng9A1 LEU 549 H 0.04 0.39 -0.46 -0.55 8.37 7.80 1ng9A1 LEU 549 HA 0.02 0.05 0.47 -0.75 4.35 4.13 1ng9A1 LEU 549 HB2 0.03 0.07 0.23 -0.04 1.64 1.93 1ng9A1 LEU 549 HB3 0.01 -0.08 0.05 -0.04 1.64 1.58 1ng9A1 LEU 549 HG 0.06 0.05 0.07 -0.04 1.64 1.78 1ng9A1 LEU 549 HD13 0.08 0.01 -0.02 -0.04 0.93 0.95 1ng9A1 LEU 549 HD23 0.03 -0.02 0.02 -0.04 0.89 0.88 1ng9A1 ALA 550 H 0.01 0.64 -0.10 -0.55 8.40 8.39 1ng9A1 ALA 550 HA -0.05 -0.07 0.42 -0.75 4.34 3.88 1ng9A1 ALA 550 HB3 -0.04 0.03 -0.03 -0.04 1.41 1.33 1ng9A1 GLU 551 H 0.00 0.63 -0.11 -0.55 8.60 8.57 1ng9A1 GLU 551 HA -0.15 0.04 0.45 -0.75 4.29 3.87 1ng9A1 GLU 551 HB2 0.13 0.05 0.09 -0.04 2.09 2.32 1ng9A1 GLU 551 HB3 0.08 0.08 0.10 -0.04 1.99 2.21 1ng9A1 GLU 551 HG2 0.19 -0.03 -0.17 -0.04 2.34 2.29 1ng9A1 GLU 551 HG3 0.41 -0.01 0.04 -0.04 2.34 2.74 1ng9A1 LEU 552 H 0.01 0.51 -0.27 -0.55 8.37 8.07 1ng9A1 LEU 552 HA 0.02 0.00 0.43 -0.75 4.35 4.05 1ng9A1 LEU 552 HB2 0.01 0.25 0.24 -0.04 1.64 2.10 1ng9A1 LEU 552 HB3 -0.00 -0.00 -0.02 -0.04 1.64 1.57 1ng9A1 LEU 552 HG 0.00 -0.01 -0.01 -0.04 1.64 1.58 1ng9A1 LEU 552 HD13 0.01 -0.02 0.03 -0.04 0.93 0.90 1ng9A1 LEU 552 HD23 0.02 -0.00 -0.08 -0.04 0.89 0.79 1ng9A1 ASP 553 H -0.04 0.44 -0.28 -0.55 8.40 7.97 1ng9A1 ASP 553 HA -0.03 0.02 0.37 -0.75 4.63 4.23 1ng9A1 ASP 553 HB2 -0.04 0.15 0.16 -0.04 2.71 2.94 1ng9A1 ASP 553 HB3 -0.08 0.17 0.21 -0.04 2.70 2.96 1ng9A1 VAL 554 H -0.15 0.44 -0.19 -0.55 8.24 7.80 1ng9A1 VAL 554 HA -0.17 -0.01 0.38 -0.75 4.13 3.59 1ng9A1 VAL 554 HB -0.44 0.13 0.17 -0.04 2.12 1.94 1ng9A1 VAL 554 HG13 -0.64 -0.00 -0.12 -0.04 0.97 0.16 1ng9A1 VAL 554 HG23 -0.55 0.04 0.03 -0.04 0.95 0.43 1ng9A1 LEU 555 H -0.04 0.48 -0.22 -0.55 8.37 8.05 1ng9A1 LEU 555 HA 0.06 0.06 0.31 -0.75 4.35 4.03 1ng9A1 LEU 555 HB2 0.05 0.07 0.13 -0.04 1.64 1.85 1ng9A1 LEU 555 HB3 0.06 -0.05 -0.10 -0.04 1.64 1.52 1ng9A1 LEU 555 HG 0.20 0.03 0.01 -0.04 1.64 1.85 1ng9A1 LEU 555 HD13 0.19 -0.02 -0.06 -0.04 0.93 0.99 1ng9A1 LEU 555 HD23 0.24 0.02 -0.00 -0.04 0.89 1.10 1ng9A1 VAL 556 H -0.01 0.74 0.04 -0.55 8.24 8.47 1ng9A1 VAL 556 HA -0.00 0.04 0.47 -0.75 4.13 3.89 1ng9A1 VAL 556 HB -0.01 0.07 0.10 -0.04 2.12 2.24 1ng9A1 VAL 556 HG13 -0.00 -0.02 -0.09 -0.04 0.97 0.82 1ng9A1 VAL 556 HG23 0.01 0.01 0.03 -0.04 0.95 0.95 1ng9A1 ASN 557 H -0.03 0.41 -0.46 -0.55 8.53 7.90 1ng9A1 ASN 557 HA -0.02 0.02 0.43 -0.75 4.76 4.43 1ng9A1 ASN 557 HB2 -0.04 -0.06 0.04 -0.04 2.88 2.79 1ng9A1 ASN 557 HB3 -0.05 0.26 0.23 -0.04 2.79 3.19 1ng9A1 ASN 557 HD21 -0.01 0.59 0.10 -0.04 7.03 7.67 1ng9A1 ASN 557 HD22 -0.03 0.06 -0.00 -0.04 7.74 7.73 1ng9A1 LEU 558 H -0.01 0.50 -0.02 -0.55 8.37 8.29 1ng9A1 LEU 558 HA 0.01 0.04 0.33 -0.75 4.35 3.98 1ng9A1 LEU 558 HB2 0.03 0.07 0.13 -0.04 1.64 1.83 1ng9A1 LEU 558 HB3 0.04 -0.08 0.05 -0.04 1.64 1.61 1ng9A1 LEU 558 HG 0.03 0.16 0.09 -0.04 1.64 1.88 1ng9A1 LEU 558 HD13 0.20 -0.02 -0.09 -0.04 0.93 0.98 1ng9A1 LEU 558 HD23 0.09 -0.01 0.00 -0.04 0.89 0.93 1ng9A1 ALA 559 H -0.04 0.46 -0.36 -0.55 8.40 7.92 1ng9A1 ALA 559 HA -0.17 0.02 0.51 -0.75 4.34 3.94 1ng9A1 ALA 559 HB3 -0.06 0.02 0.09 -0.04 1.41 1.42 1ng9A1 GLU 560 H -0.03 0.51 -0.08 -0.55 8.60 8.45 1ng9A1 GLU 560 HA 0.01 -0.01 0.46 -0.75 4.29 4.00 1ng9A1 GLU 560 HB2 -0.02 0.04 0.18 -0.04 2.09 2.26 1ng9A1 GLU 560 HB3 -0.02 0.17 0.16 -0.04 1.99 2.27 1ng9A1 GLU 560 HG2 0.03 -0.08 0.10 -0.04 2.34 2.36 1ng9A1 GLU 560 HG3 -0.00 -0.04 0.01 -0.04 2.34 2.27 1ng9A1 ARG 561 H -0.04 0.51 -0.18 -0.55 8.46 8.19 1ng9A1 ARG 561 HA -0.12 0.01 0.39 -0.75 4.34 3.87 1ng9A1 ARG 561 HB2 -0.05 0.06 0.07 -0.04 1.90 1.94 1ng9A1 ARG 561 HB3 -0.15 -0.02 -0.06 -0.04 1.80 1.53 1ng9A1 ARG 561 HG2 -0.02 0.14 -0.05 -0.04 1.67 1.70 1ng9A1 ARG 561 HG3 -0.01 0.04 0.02 -0.04 1.67 1.67 1ng9A1 ARG 561 HD2 -0.05 -0.12 -0.13 -0.04 3.22 2.87 1ng9A1 ARG 561 HD3 -0.03 -0.06 -0.09 -0.04 3.22 3.01 1ng9A1 ALA 562 H -0.08 0.53 -0.20 -0.55 8.40 8.11 1ng9A1 ALA 562 HA -0.21 -0.03 0.28 -0.75 4.34 3.63 1ng9A1 ALA 562 HB3 0.02 0.05 0.07 -0.04 1.41 1.51 1ng9A1 TYR 563 H 0.06 0.39 -0.35 -0.55 8.29 7.84 1ng9A1 TYR 563 HA -0.03 0.04 0.58 -0.75 4.56 4.40 1ng9A1 TYR 563 HB2 -0.05 0.01 0.12 -0.04 3.06 3.10 1ng9A1 TYR 563 HB3 -0.07 0.11 0.24 -0.04 2.98 3.23 1ng9A1 TYR 563 HD2 -0.03 0.02 0.04 -0.04 7.15 7.14 1ng9A1 TYR 563 HE2 -0.03 -0.05 -0.00 -0.04 6.85 6.73 1ng9A1 THR 564 H 0.00 0.69 0.10 -0.55 8.28 8.52 1ng9A1 THR 564 HA -0.29 -0.05 0.21 -0.75 4.39 3.51 1ng9A1 THR 564 HB -0.10 0.06 0.12 -0.04 4.32 4.36 1ng9A1 THR 564 HG23 -0.06 -0.03 -0.00 -0.04 1.22 1.08 1ng9A1 LEU 565 H -0.30 0.64 -0.30 -0.55 8.37 7.86 1ng9A1 LEU 565 HA -0.14 0.10 0.69 -0.75 4.35 4.24 1ng9A1 LEU 565 HB2 -0.99 0.07 -0.09 -0.04 1.64 0.59 1ng9A1 LEU 565 HB3 -0.18 -0.07 0.06 -0.04 1.64 1.41 1ng9A1 LEU 565 HG -0.22 -0.04 -0.06 -0.04 1.64 1.28 1ng9A1 LEU 565 HD13 -0.16 0.00 -0.09 -0.04 0.93 0.64 1ng9A1 LEU 565 HD23 -0.07 0.00 -0.10 -0.04 0.89 0.68 1ng9A1 ASN 566 H -0.18 0.43 -0.38 -0.55 8.53 7.85 1ng9A1 ASN 566 HA -0.02 0.08 0.37 -0.75 4.76 4.44 1ng9A1 ASN 566 HB2 -0.05 -0.03 -0.13 -0.04 2.88 2.64 1ng9A1 ASN 566 HB3 0.03 0.08 -0.09 -0.04 2.79 2.77 1ng9A1 ASN 566 HD21 0.02 -0.08 -0.01 -0.04 7.03 6.91 1ng9A1 ASN 566 HD22 0.01 -0.02 -0.02 -0.04 7.74 7.68 1ng9A1 TYR 567 H 0.08 0.59 0.12 -0.55 8.29 8.54 1ng9A1 TYR 567 HA 0.02 0.17 0.95 -0.75 4.56 4.95 1ng9A1 TYR 567 HB2 0.14 -0.08 -0.05 -0.04 3.06 3.03 1ng9A1 TYR 567 HB3 0.11 -0.12 -0.23 -0.04 2.98 2.70 1ng9A1 TYR 567 HD2 0.03 0.08 -0.55 -0.04 7.15 6.67 1ng9A1 TYR 567 HE2 -0.02 0.01 -0.15 -0.04 6.85 6.65 1ng9A1 THR 568 H 0.06 0.49 0.38 -0.55 8.28 8.66 1ng9A1 THR 568 HA -0.03 0.13 0.86 -0.75 4.39 4.59 1ng9A1 THR 568 HB -0.01 0.11 -0.04 -0.04 4.32 4.33 1ng9A1 THR 568 HG23 -0.09 -0.02 -0.39 -0.04 1.22 0.69 1ng9A1 CYS 569 H -0.43 0.10 0.15 -0.55 8.50 7.78 1ng9A1 CYS 569 HA -0.80 0.17 0.63 -0.75 4.58 3.83 1ng9A1 CYS 569 HB2 -1.07 -0.03 0.11 -0.04 2.97 1.94 1ng9A1 CYS 569 HB3 -0.36 -0.08 0.14 -0.04 2.97 2.63 1ng9A1 PRO 570 HA -0.25 0.11 0.77 -0.51 4.44 4.56 1ng9A1 PRO 570 HB2 -0.49 0.06 -0.06 -0.04 2.28 1.74 1ng9A1 PRO 570 HB3 -0.25 -0.07 0.06 -0.04 2.02 1.73 1ng9A1 PRO 570 HG2 -0.32 0.05 0.07 -0.04 2.03 1.79 1ng9A1 PRO 570 HG3 -0.18 0.07 0.06 -0.04 2.03 1.94 1ng9A1 PRO 570 HD2 -0.20 0.09 0.24 -0.04 3.68 3.77 1ng9A1 PRO 570 HD3 -0.18 0.20 0.38 -0.04 3.65 4.00 1ng9A1 THR 571 H -0.28 0.49 0.39 -0.55 8.28 8.33 1ng9A1 THR 571 HA -0.39 0.17 0.84 -0.75 4.39 4.26 1ng9A1 THR 571 HB -0.09 -0.04 0.13 -0.04 4.32 4.28 1ng9A1 THR 571 HG23 -0.12 0.02 -0.05 -0.04 1.22 1.03 1ng9A1 PHE 572 H 0.02 0.15 0.17 -0.55 8.34 8.13 1ng9A1 PHE 572 HA -0.03 0.36 1.02 -0.75 4.62 5.21 1ng9A1 PHE 572 HB2 -0.02 -0.12 0.05 -0.04 3.15 3.02 1ng9A1 PHE 572 HB3 0.01 0.13 0.02 -0.04 3.06 3.18 1ng9A1 PHE 572 HD2 -0.13 0.02 -0.06 -0.04 7.28 7.08 1ng9A1 PHE 572 HE2 -0.53 0.01 -0.16 -0.04 7.38 6.66 1ng9A1 PHE 572 HZ -0.24 0.16 -0.05 -0.04 7.32 7.15 1ng9A1 ILE 573 H 0.13 0.48 0.02 -0.55 8.25 8.32 1ng9A1 ILE 573 HA 0.06 0.12 0.81 -0.75 4.18 4.42 1ng9A1 ILE 573 HB 0.02 -0.13 0.07 -0.04 1.89 1.82 1ng9A1 ILE 573 HG12 0.05 0.04 -0.45 -0.04 1.49 1.09 1ng9A1 ILE 573 HG13 0.02 0.12 -0.21 -0.04 1.21 1.10 1ng9A1 ILE 573 HG23 0.00 -0.00 -0.24 -0.04 0.93 0.65 1ng9A1 ILE 573 HD13 0.00 -0.01 -0.22 -0.04 0.88 0.61 1ng9A1 ASP 574 H 0.03 0.08 0.14 -0.55 8.40 8.10 1ng9A1 ASP 574 HA 0.06 0.11 0.33 -0.75 4.63 4.37 1ng9A1 ASP 574 HB2 0.02 -0.01 0.07 -0.04 2.71 2.75 1ng9A1 ASP 574 HB3 0.04 0.00 0.08 -0.04 2.70 2.78 1ng9A1 LYS 575 H 0.01 0.05 -0.15 -0.55 8.42 7.77 1ng9A1 LYS 575 HA -0.08 0.21 0.89 -0.75 4.32 4.59 1ng9A1 LYS 575 HB2 -0.03 -0.10 0.04 -0.04 1.87 1.74 1ng9A1 LYS 575 HB3 -0.07 0.14 0.07 -0.04 1.79 1.89 1ng9A1 LYS 575 HG2 -0.03 0.02 0.02 -0.04 1.46 1.43 1ng9A1 LYS 575 HG3 -0.00 0.07 -0.19 -0.04 1.46 1.29 1ng9A1 LYS 575 HD2 0.00 -0.11 -0.05 -0.04 1.69 1.49 1ng9A1 LYS 575 HD3 -0.01 0.01 -0.01 -0.04 1.68 1.63 1ng9A1 LYS 575 HE2 0.02 0.04 -0.05 -0.04 2.99 2.96 1ng9A1 LYS 575 HE3 0.01 -0.05 -0.02 -0.04 2.99 2.89 1ng9A1 PRO 576 HA -0.13 0.09 0.47 -0.51 4.44 4.35 1ng9A1 PRO 576 HB2 -0.14 -0.07 -0.01 -0.04 2.28 2.02 1ng9A1 PRO 576 HB3 -0.16 0.11 0.10 -0.04 2.02 2.02 1ng9A1 PRO 576 HG2 -0.37 0.05 0.10 -0.04 2.03 1.77 1ng9A1 PRO 576 HG3 -0.78 0.07 0.12 -0.04 2.03 1.40 1ng9A1 PRO 576 HD2 -0.25 0.01 0.24 -0.04 3.68 3.63 1ng9A1 PRO 576 HD3 -0.64 0.13 0.20 -0.04 3.65 3.30 1ng9A1 GLY 577 H -0.03 0.18 0.11 -0.55 8.43 8.15 1ng9A1 GLY 577 HA2 -0.02 0.02 0.10 -0.51 4.01 3.60 1ng9A1 GLY 577 HA3 -0.02 0.09 0.62 -0.51 4.01 4.20 1ng9A1 ILE 578 H -0.01 0.36 0.24 -0.55 8.25 8.30 1ng9A1 ILE 578 HA -0.00 0.26 0.84 -0.75 4.18 4.53 1ng9A1 ILE 578 HB -0.01 -0.08 0.06 -0.04 1.89 1.81 1ng9A1 ILE 578 HG12 0.02 0.18 -0.10 -0.04 1.49 1.55 1ng9A1 ILE 578 HG13 0.00 -0.12 -0.39 -0.04 1.21 0.66 1ng9A1 ILE 578 HG23 -0.02 0.00 -0.13 -0.04 0.93 0.74 1ng9A1 ILE 578 HD13 -0.00 0.00 -0.11 -0.04 0.88 0.73 1ng9A1 ARG 579 H -0.02 0.67 0.26 -0.55 8.46 8.82 1ng9A1 ARG 579 HA -0.01 0.33 1.18 -0.75 4.34 5.09 1ng9A1 ARG 579 HB2 -0.03 -0.04 0.22 -0.04 1.90 2.02 1ng9A1 ARG 579 HB3 -0.02 -0.01 0.04 -0.04 1.80 1.78 1ng9A1 ARG 579 HG2 -0.01 0.02 0.00 -0.04 1.67 1.65 1ng9A1 ARG 579 HG3 -0.01 0.02 -0.15 -0.04 1.67 1.49 1ng9A1 ARG 579 HD2 -0.01 -0.01 -0.02 -0.04 3.22 3.14 1ng9A1 ARG 579 HD3 -0.01 -0.03 -0.03 -0.04 3.22 3.11 1ng9A1 ILE 580 H 0.00 0.56 0.33 -0.55 8.25 8.59 1ng9A1 ILE 580 HA -0.03 0.32 1.05 -0.75 4.18 4.77 1ng9A1 ILE 580 HB 0.01 -0.08 0.08 -0.04 1.89 1.86 1ng9A1 ILE 580 HG12 -0.05 0.06 -0.08 -0.04 1.49 1.39 1ng9A1 ILE 580 HG13 -0.03 -0.10 -0.36 -0.04 1.21 0.68 1ng9A1 ILE 580 HG23 0.01 -0.01 -0.17 -0.04 0.93 0.72 1ng9A1 ILE 580 HD13 -0.05 0.01 -0.11 -0.04 0.88 0.69 1ng9A1 THR 581 H -0.02 0.69 0.27 -0.55 8.28 8.68 1ng9A1 THR 581 HA 0.02 0.06 0.80 -0.75 4.39 4.51 1ng9A1 THR 581 HB -0.01 -0.02 0.03 -0.04 4.32 4.27 1ng9A1 THR 581 HG23 0.00 0.00 -0.04 -0.04 1.22 1.15 1ng9A1 GLU 582 H 0.03 0.13 -0.08 -0.55 8.60 8.14 1ng9A1 GLU 582 HA 0.06 0.00 0.16 -0.75 4.29 3.75 1ng9A1 GLU 582 HB2 0.02 0.01 -0.04 -0.04 2.09 2.04 1ng9A1 GLU 582 HB3 0.04 0.07 0.13 -0.04 1.99 2.19 1ng9A1 GLU 582 HG2 0.02 -0.09 -0.07 -0.04 2.34 2.17 1ng9A1 GLU 582 HG3 0.02 0.03 -0.05 -0.04 2.34 2.31 1ng9A1 GLY 583 H 0.07 0.33 -0.11 -0.55 8.43 8.18 1ng9A1 GLY 583 HA2 -0.00 0.29 0.83 -0.51 4.01 4.62 1ng9A1 GLY 583 HA3 0.02 0.01 0.28 -0.51 4.01 3.81 1ng9A1 ARG 584 H -0.07 0.71 0.34 -0.55 8.46 8.88 1ng9A1 ARG 584 HA 0.02 0.12 0.81 -0.75 4.34 4.53 1ng9A1 ARG 584 HB2 -0.20 0.06 -0.12 -0.04 1.90 1.60 1ng9A1 ARG 584 HB3 -0.71 -0.09 -0.05 -0.04 1.80 0.91 1ng9A1 ARG 584 HG2 0.12 0.00 -0.19 -0.04 1.67 1.57 1ng9A1 ARG 584 HG3 0.16 0.02 -0.60 -0.04 1.67 1.21 1ng9A1 ARG 584 HD2 0.06 -0.01 -0.15 -0.04 3.22 3.07 1ng9A1 ARG 584 HD3 0.01 0.09 -0.19 -0.04 3.22 3.08 1ng9A1 HIS 585 H -1.05 0.12 0.06 -0.55 8.41 7.00 1ng9A1 HIS 585 HA -0.17 0.19 0.69 -0.75 4.63 4.59 1ng9A1 HIS 585 HB2 -0.00 0.08 0.09 -0.04 3.26 3.39 1ng9A1 HIS 585 HB3 -0.27 -0.10 0.18 -0.04 3.20 2.96 1ng9A1 HIS 585 HD2 0.01 0.01 -0.01 -0.04 6.97 6.94 1ng9A1 HIS 585 HE1 -0.01 0.14 -0.05 -0.04 7.75 7.79 1ng9A1 PRO 586 HA -0.11 0.14 0.14 -0.51 4.44 4.10 1ng9A1 PRO 586 HB2 -0.07 0.06 -0.04 -0.04 2.28 2.19 1ng9A1 PRO 586 HB3 -0.18 0.11 0.08 -0.04 2.02 1.98 1ng9A1 PRO 586 HG2 -0.28 -0.02 0.03 -0.04 2.03 1.72 1ng9A1 PRO 586 HG3 -0.23 0.10 0.03 -0.04 2.03 1.89 1ng9A1 PRO 586 HD2 -0.64 -0.04 0.23 -0.04 3.68 3.19 1ng9A1 PRO 586 HD3 -0.29 0.39 0.32 -0.04 3.65 4.03 1ng9A1 VAL 587 H -0.08 -0.04 -0.46 -0.55 8.24 7.11 1ng9A1 VAL 587 HA 0.03 0.25 0.72 -0.75 4.13 4.38 1ng9A1 VAL 587 HB 0.25 -0.08 -0.03 -0.04 2.12 2.22 1ng9A1 VAL 587 HG13 0.07 0.04 -0.27 -0.04 0.97 0.77 1ng9A1 VAL 587 HG23 -0.01 0.04 -0.27 -0.04 0.95 0.66 1ng9A1 VAL 588 H 0.56 0.04 -0.04 -0.55 8.24 8.25 1ng9A1 VAL 588 HA 0.05 0.05 0.31 -0.75 4.13 3.79 1ng9A1 VAL 588 HB 0.07 0.01 0.09 -0.04 2.12 2.24 1ng9A1 VAL 588 HG13 0.17 0.01 -0.08 -0.04 0.97 1.02 1ng9A1 VAL 588 HG23 -0.31 -0.01 0.01 -0.04 0.95 0.60 1ng9A1 GLU 589 H -0.09 0.44 -0.32 -0.55 8.60 8.07 1ng9A1 GLU 589 HA 0.12 0.02 0.41 -0.75 4.29 4.09 1ng9A1 GLU 589 HB2 -0.04 -0.02 0.02 -0.04 2.09 2.01 1ng9A1 GLU 589 HB3 -0.47 -0.05 -0.01 -0.04 1.99 1.42 1ng9A1 GLU 589 HG2 -0.08 0.02 -0.20 -0.04 2.34 2.04 1ng9A1 GLU 589 HG3 -0.01 0.07 -0.35 -0.04 2.34 2.00 1ng9A1 GLN 590 H 0.02 0.21 -0.39 -0.55 8.47 7.76 1ng9A1 GLN 590 HA 0.02 0.13 0.63 -0.75 4.36 4.39 1ng9A1 GLN 590 HB2 0.02 0.05 0.13 -0.04 2.15 2.30 1ng9A1 GLN 590 HB3 0.01 -0.05 0.00 -0.04 2.02 1.95 1ng9A1 GLN 590 HG2 0.02 0.17 0.07 -0.04 2.40 2.62 1ng9A1 GLN 590 HG3 0.02 -0.02 0.05 -0.04 2.39 2.39 1ng9A1 GLN 590 HE21 -0.01 -0.00 -0.02 -0.04 6.97 6.90 1ng9A1 GLN 590 HE22 0.00 -0.04 0.01 -0.04 7.69 7.62 1ng9A1 VAL 591 H 0.04 0.30 -0.06 -0.55 8.24 7.97 1ng9A1 VAL 591 HA 0.02 0.08 0.31 -0.75 4.13 3.79 1ng9A1 VAL 591 HB 0.02 -0.06 0.05 -0.04 2.12 2.09 1ng9A1 VAL 591 HG13 0.03 0.04 -0.02 -0.04 0.97 0.98 1ng9A1 VAL 591 HG23 0.02 -0.02 -0.16 -0.04 0.95 0.74 1ng9A1 LEU 592 H 0.05 0.31 -0.36 -0.55 8.37 7.82 1ng9A1 LEU 592 HA 0.02 -0.09 0.35 -0.75 4.35 3.88 1ng9A1 LEU 592 HB2 0.09 0.33 0.14 -0.04 1.64 2.16 1ng9A1 LEU 592 HB3 0.08 0.16 0.03 -0.04 1.64 1.87 1ng9A1 LEU 592 HG 0.01 0.00 -0.23 -0.04 1.64 1.38 1ng9A1 LEU 592 HD13 -0.01 -0.04 -0.05 -0.04 0.93 0.79 1ng9A1 LEU 592 HD23 0.01 -0.02 -0.16 -0.04 0.89 0.69 1ng9A1 ASN 593 H 0.02 0.08 0.11 -0.55 8.53 8.19 1ng9A1 ASN 593 HA 0.02 0.16 0.70 -0.75 4.76 4.89 1ng9A1 ASN 593 HB2 0.01 -0.05 0.21 -0.04 2.88 3.01 1ng9A1 ASN 593 HB3 0.01 -0.05 0.16 -0.04 2.79 2.88 1ng9A1 ASN 593 HD21 0.01 -0.01 0.00 -0.04 7.03 6.99 1ng9A1 ASN 593 HD22 0.01 -0.06 0.03 -0.04 7.74 7.68 1ng9A1 GLU 594 H 0.03 0.51 -0.09 -0.55 8.60 8.50 1ng9A1 GLU 594 HA 0.02 -0.01 0.29 -0.75 4.29 3.84 1ng9A1 GLU 594 HB2 0.02 -0.04 0.14 -0.04 2.09 2.17 1ng9A1 GLU 594 HB3 0.02 0.33 0.53 -0.04 1.99 2.83 1ng9A1 GLU 594 HG2 0.01 -0.13 -0.47 -0.04 2.34 1.71 1ng9A1 GLU 594 HG3 0.00 0.11 -0.39 -0.04 2.34 2.02 1ng9A1 PRO 595 HA 0.07 0.09 0.20 -0.51 4.44 4.29 1ng9A1 PRO 595 HB2 0.04 0.08 -0.09 -0.04 2.28 2.26 1ng9A1 PRO 595 HB3 0.04 0.02 0.04 -0.04 2.02 2.08 1ng9A1 PRO 595 HG2 0.02 0.02 0.06 -0.04 2.03 2.09 1ng9A1 PRO 595 HG3 0.02 0.01 0.06 -0.04 2.03 2.08 1ng9A1 PRO 595 HD2 0.02 0.09 0.09 -0.04 3.68 3.84 1ng9A1 PRO 595 HD3 0.02 0.08 0.19 -0.04 3.65 3.90 1ng9A1 PHE 596 H 0.19 0.17 0.17 -0.55 8.34 8.32 1ng9A1 PHE 596 HA -0.02 0.03 0.53 -0.75 4.62 4.40 1ng9A1 PHE 596 HB2 0.01 0.07 0.10 -0.04 3.15 3.29 1ng9A1 PHE 596 HB3 0.02 0.02 0.06 -0.04 3.06 3.12 1ng9A1 PHE 596 HD2 0.01 0.04 -0.38 -0.04 7.28 6.91 1ng9A1 PHE 596 HE2 0.02 0.05 -0.01 -0.04 7.38 7.40 1ng9A1 PHE 596 HZ 0.08 -0.02 -0.04 -0.04 7.32 7.29 1ng9A1 ILE 597 H -0.52 0.11 0.15 -0.55 8.25 7.45 1ng9A1 ILE 597 HA -0.01 0.01 0.55 -0.75 4.18 3.97 1ng9A1 ILE 597 HB -0.18 0.03 0.24 -0.04 1.89 1.94 1ng9A1 ILE 597 HG12 -0.11 -0.02 0.09 -0.04 1.49 1.41 1ng9A1 ILE 597 HG13 0.02 0.15 0.04 -0.04 1.21 1.37 1ng9A1 ILE 597 HG23 -0.02 0.02 -0.08 -0.04 0.93 0.80 1ng9A1 ILE 597 HD13 -0.01 -0.02 -0.07 -0.04 0.88 0.74 1ng9A1 ALA 598 H 0.09 0.08 0.18 -0.55 8.40 8.20 1ng9A1 ALA 598 HA 0.29 0.25 0.35 -0.75 4.34 4.48 1ng9A1 ALA 598 HB3 0.11 -0.05 -0.07 -0.04 1.41 1.35 1ng9A1 ASN 599 H 0.15 0.43 0.24 -0.55 8.53 8.81 1ng9A1 ASN 599 HA 0.06 0.13 0.95 -0.75 4.76 5.15 1ng9A1 ASN 599 HB2 0.24 0.04 0.02 -0.04 2.88 3.14 1ng9A1 ASN 599 HB3 0.22 0.06 -0.04 -0.04 2.79 2.99 1ng9A1 ASN 599 HD21 -0.04 0.38 0.08 -0.04 7.03 7.41 1ng9A1 ASN 599 HD22 0.09 -0.09 -0.03 -0.04 7.74 7.67 1ng9A1 PRO 600 HA 0.07 0.13 0.49 -0.51 4.44 4.62 1ng9A1 PRO 600 HB2 0.05 0.01 0.01 -0.04 2.28 2.30 1ng9A1 PRO 600 HB3 0.03 0.03 0.19 -0.04 2.02 2.23 1ng9A1 PRO 600 HG2 0.01 0.06 0.08 -0.04 2.03 2.14 1ng9A1 PRO 600 HG3 0.02 0.01 0.11 -0.04 2.03 2.13 1ng9A1 PRO 600 HD2 0.02 0.10 0.23 -0.04 3.68 3.98 1ng9A1 PRO 600 HD3 0.03 0.17 0.33 -0.04 3.65 4.14 1ng9A1 LEU 601 H 0.05 0.49 0.31 -0.55 8.37 8.68 1ng9A1 LEU 601 HA 0.15 0.04 0.25 -0.75 4.35 4.04 1ng9A1 LEU 601 HB2 0.05 0.14 0.07 -0.04 1.64 1.85 1ng9A1 LEU 601 HB3 0.00 -0.08 0.02 -0.04 1.64 1.54 1ng9A1 LEU 601 HG 0.01 0.05 -0.41 -0.04 1.64 1.26 1ng9A1 LEU 601 HD13 0.00 -0.01 -0.08 -0.04 0.93 0.80 1ng9A1 LEU 601 HD23 -0.08 -0.01 -0.13 -0.04 0.89 0.63 1ng9A1 ASN 602 H 0.06 0.19 0.08 -0.55 8.53 8.32 1ng9A1 ASN 602 HA 0.01 0.23 0.99 -0.75 4.76 5.23 1ng9A1 ASN 602 HB2 0.02 -0.06 0.02 -0.04 2.88 2.82 1ng9A1 ASN 602 HB3 0.02 -0.01 0.11 -0.04 2.79 2.86 1ng9A1 ASN 602 HD21 0.00 -0.02 -0.07 -0.04 7.03 6.89 1ng9A1 ASN 602 HD22 0.00 -0.02 -0.11 -0.04 7.74 7.57 1ng9A1 LEU 603 H 0.00 0.55 0.25 -0.55 8.37 8.63 1ng9A1 LEU 603 HA 0.00 0.38 0.87 -0.75 4.35 4.85 1ng9A1 LEU 603 HB2 -0.00 -0.03 0.14 -0.04 1.64 1.71 1ng9A1 LEU 603 HB3 -0.01 0.02 -0.03 -0.04 1.64 1.59 1ng9A1 LEU 603 HG 0.01 -0.06 -0.23 -0.04 1.64 1.32 1ng9A1 LEU 603 HD13 -0.01 -0.02 -0.14 -0.04 0.93 0.72 1ng9A1 LEU 603 HD23 0.01 0.06 -0.04 -0.04 0.89 0.89 1ng9A1 SER 604 H -0.01 0.72 0.08 -0.55 8.46 8.71 1ng9A1 SER 604 HA -0.02 0.26 0.54 -0.75 4.49 4.51 1ng9A1 SER 604 HB2 -0.01 0.09 0.14 -0.04 3.95 4.13 1ng9A1 SER 604 HB3 -0.01 0.06 -0.32 -0.04 3.93 3.62 1ng9A1 PRO 605 HA -0.03 0.24 0.50 -0.51 4.44 4.64 1ng9A1 PRO 605 HB2 -0.02 -0.04 -0.03 -0.04 2.28 2.15 1ng9A1 PRO 605 HB3 -0.03 0.09 0.11 -0.04 2.02 2.15 1ng9A1 PRO 605 HG2 -0.03 -0.03 0.07 -0.04 2.03 2.00 1ng9A1 PRO 605 HG3 -0.06 0.14 0.07 -0.04 2.03 2.14 1ng9A1 PRO 605 HD2 -0.02 -0.03 0.19 -0.04 3.68 3.78 1ng9A1 PRO 605 HD3 -0.03 0.41 0.21 -0.04 3.65 4.20 1ng9A1 GLN 606 H -0.01 0.02 -0.24 -0.55 8.47 7.69 1ng9A1 GLN 606 HA -0.01 0.17 0.72 -0.75 4.36 4.48 1ng9A1 GLN 606 HB2 -0.01 -0.04 0.04 -0.04 2.15 2.10 1ng9A1 GLN 606 HB3 -0.01 0.00 -0.02 -0.04 2.02 1.95 1ng9A1 GLN 606 HG2 -0.01 -0.01 -0.00 -0.04 2.40 2.34 1ng9A1 GLN 606 HG3 -0.01 0.04 0.02 -0.04 2.39 2.40 1ng9A1 GLN 606 HE21 -0.01 0.02 -0.07 -0.04 6.97 6.87 1ng9A1 GLN 606 HE22 -0.01 0.03 -0.08 -0.04 7.69 7.59 1ng9A1 ARG 607 H -0.01 -0.04 -0.31 -0.55 8.46 7.55 1ng9A1 ARG 607 HA -0.01 0.18 0.69 -0.75 4.34 4.44 1ng9A1 ARG 607 HB2 -0.01 -0.04 -0.11 -0.04 1.90 1.71 1ng9A1 ARG 607 HB3 -0.00 -0.09 0.05 -0.04 1.80 1.71 1ng9A1 ARG 607 HG2 0.00 0.08 -0.00 -0.04 1.67 1.71 1ng9A1 ARG 607 HG3 -0.00 -0.00 -0.07 -0.04 1.67 1.56 1ng9A1 ARG 607 HD2 0.00 -0.06 -0.06 -0.04 3.22 3.05 1ng9A1 ARG 607 HD3 0.01 -0.06 -0.16 -0.04 3.22 2.97 1ng9A1 ARG 608 H -0.02 0.32 -0.00 -0.55 8.46 8.21 1ng9A1 ARG 608 HA -0.01 0.02 0.59 -0.75 4.34 4.19 1ng9A1 ARG 608 HB2 -0.01 0.02 -0.02 -0.04 1.90 1.86 1ng9A1 ARG 608 HB3 -0.02 -0.01 -0.02 -0.04 1.80 1.71 1ng9A1 ARG 608 HG2 -0.02 -0.03 0.02 -0.04 1.67 1.60 1ng9A1 ARG 608 HG3 -0.01 0.09 -0.21 -0.04 1.67 1.50 1ng9A1 ARG 608 HD2 -0.01 0.06 0.08 -0.04 3.22 3.30 1ng9A1 ARG 608 HD3 -0.01 0.13 0.02 -0.04 3.22 3.31 1ng9A1 MET 609 H -0.02 0.56 0.24 -0.55 8.47 8.70 1ng9A1 MET 609 HA 0.02 0.33 1.03 -0.75 4.52 5.15 1ng9A1 MET 609 HB2 -0.01 0.07 -0.07 -0.04 2.15 2.10 1ng9A1 MET 609 HB3 -0.05 -0.00 0.04 -0.04 2.03 1.98 1ng9A1 MET 609 HG2 -0.09 -0.15 -0.35 -0.04 2.63 2.00 1ng9A1 MET 609 HG3 0.02 0.12 -0.13 -0.04 2.56 2.53 1ng9A1 MET 609 HE3 -0.30 -0.04 -0.14 -0.04 2.10 1.58 1ng9A1 LEU 610 H 0.04 0.54 0.31 -0.55 8.37 8.72 1ng9A1 LEU 610 HA 0.01 0.36 1.07 -0.75 4.35 5.03 1ng9A1 LEU 610 HB2 0.09 -0.10 0.13 -0.04 1.64 1.72 1ng9A1 LEU 610 HB3 0.08 -0.04 -0.06 -0.04 1.64 1.57 1ng9A1 LEU 610 HG 0.04 0.03 -0.22 -0.04 1.64 1.44 1ng9A1 LEU 610 HD13 0.10 0.01 -0.07 -0.04 0.93 0.94 1ng9A1 LEU 610 HD23 0.03 0.04 -0.12 -0.04 0.89 0.79 1ng9A1 ILE 611 H -0.03 0.63 0.32 -0.55 8.25 8.62 1ng9A1 ILE 611 HA 0.05 0.19 0.90 -0.75 4.18 4.56 1ng9A1 ILE 611 HB -0.09 -0.06 0.13 -0.04 1.89 1.83 1ng9A1 ILE 611 HG12 -0.16 0.02 -0.09 -0.04 1.49 1.21 1ng9A1 ILE 611 HG13 -0.27 0.09 -0.02 -0.04 1.21 0.97 1ng9A1 ILE 611 HG23 -0.08 -0.00 -0.21 -0.04 0.93 0.59 1ng9A1 ILE 611 HD13 -0.39 0.00 -0.07 -0.04 0.88 0.37 1ng9A1 ILE 612 H 0.13 0.53 0.15 -0.55 8.25 8.50 1ng9A1 ILE 612 HA 0.08 0.30 0.74 -0.75 4.18 4.55 1ng9A1 ILE 612 HB 0.13 -0.13 0.01 -0.04 1.89 1.87 1ng9A1 ILE 612 HG12 0.19 0.06 -0.19 -0.04 1.49 1.51 1ng9A1 ILE 612 HG13 0.14 0.02 -0.40 -0.04 1.21 0.92 1ng9A1 ILE 612 HG23 0.10 -0.01 -0.21 -0.04 0.93 0.78 1ng9A1 ILE 612 HD13 0.20 -0.01 -0.14 -0.04 0.88 0.89 1ng9A1 THR 613 H 0.10 0.51 0.42 -0.55 8.28 8.76 1ng9A1 THR 613 HA 0.11 0.25 1.03 -0.75 4.39 5.03 1ng9A1 THR 613 HB 0.13 -0.13 0.14 -0.04 4.32 4.42 1ng9A1 THR 613 HG23 0.01 0.03 -0.18 -0.04 1.22 1.04 1ng9A1 GLY 614 H 0.18 0.16 0.22 -0.55 8.43 8.43 1ng9A1 GLY 614 HA2 0.28 0.07 0.41 -0.51 4.01 4.26 1ng9A1 GLY 614 HA3 0.18 0.21 0.81 -0.51 4.01 4.70 1ng9A1 PRO 615 HA 0.24 -0.07 0.30 -0.51 4.44 4.40 1ng9A1 PRO 615 HB2 0.39 0.22 -0.01 -0.04 2.28 2.84 1ng9A1 PRO 615 HB3 0.30 -0.08 0.09 -0.04 2.02 2.29 1ng9A1 PRO 615 HG2 0.36 0.06 -0.08 -0.04 2.03 2.33 1ng9A1 PRO 615 HG3 -0.15 0.07 -0.00 -0.04 2.03 1.90 1ng9A1 PRO 615 HD2 0.15 0.29 0.17 -0.04 3.68 4.26 1ng9A1 PRO 615 HD3 0.26 0.13 0.20 -0.04 3.65 4.20 1ng9A1 ASN 616 H 0.12 0.07 0.15 -0.55 8.53 8.33 1ng9A1 ASN 616 HA 0.02 -0.02 0.63 -0.75 4.76 4.64 1ng9A1 ASN 616 HB2 0.05 -0.03 0.16 -0.04 2.88 3.01 1ng9A1 ASN 616 HB3 0.02 0.07 0.05 -0.04 2.79 2.90 1ng9A1 ASN 616 HD21 -0.02 0.04 -0.03 -0.04 7.03 6.98 1ng9A1 ASN 616 HD22 -0.03 0.05 -0.12 -0.04 7.74 7.60 1ng9A1 MET 617 H -0.07 0.07 0.18 -0.55 8.47 8.10 1ng9A1 MET 617 HA -0.16 -0.01 0.31 -0.75 4.52 3.90 1ng9A1 MET 617 HB2 -0.94 0.20 0.24 -0.04 2.15 1.60 1ng9A1 MET 617 HB3 -0.41 0.05 0.16 -0.04 2.03 1.79 1ng9A1 MET 617 HG2 -0.14 -0.00 -0.04 -0.04 2.63 2.40 1ng9A1 MET 617 HG3 -0.16 -0.17 -0.56 -0.04 2.56 1.63 1ng9A1 MET 617 HE3 -0.05 0.01 -0.06 -0.04 2.10 1.96 1ng9A1 GLY 618 H -0.04 0.29 -0.27 -0.55 8.43 7.87 1ng9A1 GLY 618 HA2 0.07 0.11 0.38 -0.51 4.01 4.07 1ng9A1 GLY 618 HA3 0.09 0.12 0.16 -0.51 4.01 3.87 1ng9A1 GLY 619 H 0.03 -0.15 -0.13 -0.55 8.43 7.63 1ng9A1 GLY 619 HA2 0.07 0.00 0.14 -0.51 4.01 3.71 1ng9A1 GLY 619 HA3 0.13 0.34 0.67 -0.51 4.01 4.64 1ng9A1 LYS 620 H 0.06 -0.02 0.02 -0.55 8.42 7.92 1ng9A1 LYS 620 HA 0.11 0.22 0.24 -0.75 4.32 4.14 1ng9A1 LYS 620 HB2 0.07 -0.10 0.01 -0.04 1.87 1.82 1ng9A1 LYS 620 HB3 0.10 0.07 -0.10 -0.04 1.79 1.82 1ng9A1 LYS 620 HG2 0.08 0.11 -0.28 -0.04 1.46 1.33 1ng9A1 LYS 620 HG3 0.08 -0.09 -0.15 -0.04 1.46 1.25 1ng9A1 LYS 620 HD2 0.10 0.08 -0.22 -0.04 1.69 1.61 1ng9A1 LYS 620 HD3 0.11 -0.00 -0.42 -0.04 1.68 1.33 1ng9A1 LYS 620 HE2 0.08 -0.11 -0.10 -0.04 2.99 2.81 1ng9A1 LYS 620 HE3 0.10 0.00 -0.16 -0.04 2.99 2.89 1ng9A1 SER 621 H 0.06 0.02 -0.01 -0.55 8.46 7.98 1ng9A1 SER 621 HA 0.06 0.12 0.38 -0.75 4.49 4.29 1ng9A1 SER 621 HB2 0.02 -0.06 0.09 -0.04 3.95 3.96 1ng9A1 SER 621 HB3 0.02 0.13 -0.05 -0.04 3.93 4.00 1ng9A1 THR 622 H 0.05 -0.01 -0.32 -0.55 8.28 7.44 1ng9A1 THR 622 HA 0.01 0.09 0.39 -0.75 4.39 4.12 1ng9A1 THR 622 HB 0.08 0.10 -0.03 -0.04 4.32 4.43 1ng9A1 THR 622 HG23 0.10 0.03 -0.10 -0.04 1.22 1.22 1ng9A1 TYR 623 H 0.23 0.30 -0.35 -0.55 8.29 7.92 1ng9A1 TYR 623 HA 0.12 0.09 0.31 -0.75 4.56 4.32 1ng9A1 TYR 623 HB2 0.06 0.10 0.05 -0.04 3.06 3.23 1ng9A1 TYR 623 HB3 0.05 0.07 0.06 -0.04 2.98 3.12 1ng9A1 TYR 623 HD2 0.06 -0.02 -0.10 -0.04 7.15 7.05 1ng9A1 TYR 623 HE2 0.03 0.10 -0.11 -0.04 6.85 6.83 1ng9A1 MET 624 H 0.12 0.25 -0.37 -0.55 8.47 7.92 1ng9A1 MET 624 HA -0.11 0.09 0.45 -0.75 4.52 4.20 1ng9A1 MET 624 HB2 0.04 0.09 0.15 -0.04 2.15 2.39 1ng9A1 MET 624 HB3 0.01 -0.03 -0.04 -0.04 2.03 1.93 1ng9A1 MET 624 HG2 0.05 -0.00 -0.06 -0.04 2.63 2.58 1ng9A1 MET 624 HG3 0.12 0.19 0.00 -0.04 2.56 2.83 1ng9A1 MET 624 HE3 0.00 0.00 -0.21 -0.04 2.10 1.85 1ng9A1 ARG 625 H 0.06 0.50 0.03 -0.55 8.46 8.50 1ng9A1 ARG 625 HA 0.04 0.01 0.40 -0.75 4.34 4.04 1ng9A1 ARG 625 HB2 0.17 0.05 0.16 -0.04 1.90 2.24 1ng9A1 ARG 625 HB3 0.25 0.03 -0.02 -0.04 1.80 2.02 1ng9A1 ARG 625 HG2 0.06 -0.02 -0.03 -0.04 1.67 1.64 1ng9A1 ARG 625 HG3 0.05 0.04 0.04 -0.04 1.67 1.76 1ng9A1 ARG 625 HD2 0.02 -0.10 -0.04 -0.04 3.22 3.06 1ng9A1 ARG 625 HD3 0.11 0.19 0.04 -0.04 3.22 3.52 1ng9A1 GLN 626 H 0.16 0.54 -0.24 -0.55 8.47 8.39 1ng9A1 GLN 626 HA -0.10 -0.01 0.32 -0.75 4.36 3.81 1ng9A1 GLN 626 HB2 -0.02 0.10 -0.22 -0.04 2.15 1.97 1ng9A1 GLN 626 HB3 0.27 -0.04 0.03 -0.04 2.02 2.24 1ng9A1 GLN 626 HG2 0.05 0.15 -0.05 -0.04 2.40 2.50 1ng9A1 GLN 626 HG3 0.01 0.03 -0.41 -0.04 2.39 1.97 1ng9A1 GLN 626 HE21 0.39 0.12 -0.12 -0.04 6.97 7.31 1ng9A1 GLN 626 HE22 0.17 0.02 -0.30 -0.04 7.69 7.53 1ng9A1 THR 627 H -0.09 0.32 -0.47 -0.55 8.28 7.49 1ng9A1 THR 627 HA -0.10 0.06 0.53 -0.75 4.39 4.13 1ng9A1 THR 627 HB -0.10 0.14 0.12 -0.04 4.32 4.44 1ng9A1 THR 627 HG23 -0.09 -0.02 -0.11 -0.04 1.22 0.96 1ng9A1 ALA 628 H -0.04 0.41 -0.08 -0.55 8.40 8.14 1ng9A1 ALA 628 HA -0.02 0.03 0.39 -0.75 4.34 3.99 1ng9A1 ALA 628 HB3 -0.02 0.01 0.05 -0.04 1.41 1.41 1ng9A1 LEU 629 H -0.07 0.52 -0.09 -0.55 8.37 8.19 1ng9A1 LEU 629 HA -0.07 0.08 0.53 -0.75 4.35 4.13 1ng9A1 LEU 629 HB2 -0.21 0.02 0.11 -0.04 1.64 1.52 1ng9A1 LEU 629 HB3 -0.18 0.01 -0.00 -0.04 1.64 1.43 1ng9A1 LEU 629 HG -0.10 0.01 -0.01 -0.04 1.64 1.50 1ng9A1 LEU 629 HD13 -0.50 -0.02 -0.07 -0.04 0.93 0.30 1ng9A1 LEU 629 HD23 -0.10 0.05 -0.00 -0.04 0.89 0.80 1ng9A1 ILE 630 H -0.09 0.41 -0.27 -0.55 8.25 7.75 1ng9A1 ILE 630 HA -0.11 0.05 0.51 -0.75 4.18 3.88 1ng9A1 ILE 630 HB -0.08 0.14 0.17 -0.04 1.89 2.09 1ng9A1 ILE 630 HG12 -0.15 -0.06 0.03 -0.04 1.49 1.27 1ng9A1 ILE 630 HG13 -0.14 0.00 0.11 -0.04 1.21 1.14 1ng9A1 ILE 630 HG23 -0.08 -0.03 -0.18 -0.04 0.93 0.60 1ng9A1 ILE 630 HD13 -0.08 -0.01 -0.05 -0.04 0.88 0.70 1ng9A1 ALA 631 H -0.02 0.35 -0.27 -0.55 8.40 7.92 1ng9A1 ALA 631 HA 0.12 0.06 0.46 -0.75 4.34 4.22 1ng9A1 ALA 631 HB3 0.06 0.02 0.03 -0.04 1.41 1.48 1ng9A1 LEU 632 H 0.02 0.56 -0.12 -0.55 8.37 8.29 1ng9A1 LEU 632 HA 0.07 0.03 0.37 -0.75 4.35 4.07 1ng9A1 LEU 632 HB2 -0.01 0.06 0.16 -0.04 1.64 1.80 1ng9A1 LEU 632 HB3 -0.02 0.07 0.17 -0.04 1.64 1.82 1ng9A1 LEU 632 HG 0.02 0.04 0.01 -0.04 1.64 1.67 1ng9A1 LEU 632 HD13 -0.05 -0.00 -0.03 -0.04 0.93 0.81 1ng9A1 LEU 632 HD23 -0.00 0.01 -0.17 -0.04 0.89 0.69 1ng9A1 MET 633 H -0.01 0.62 -0.18 -0.55 8.47 8.36 1ng9A1 MET 633 HA 0.05 -0.01 0.31 -0.75 4.52 4.11 1ng9A1 MET 633 HB2 -0.07 0.03 0.13 -0.04 2.15 2.20 1ng9A1 MET 633 HB3 -0.02 0.13 -0.10 -0.04 2.03 1.99 1ng9A1 MET 633 HG2 0.01 -0.05 0.00 -0.04 2.63 2.55 1ng9A1 MET 633 HG3 -0.03 -0.02 0.04 -0.04 2.56 2.51 1ng9A1 MET 633 HE3 -0.16 0.03 -0.00 -0.04 2.10 1.93 1ng9A1 ALA 634 H -0.00 0.45 -0.29 -0.55 8.40 8.01 1ng9A1 ALA 634 HA -0.05 0.18 0.41 -0.75 4.34 4.12 1ng9A1 ALA 634 HB3 -0.14 0.01 0.06 -0.04 1.41 1.29 1ng9A1 TYR 635 H 0.17 0.41 -0.50 -0.55 8.29 7.82 1ng9A1 TYR 635 HA 0.08 0.09 0.66 -0.75 4.56 4.64 1ng9A1 TYR 635 HB2 0.03 0.13 0.07 -0.04 3.06 3.25 1ng9A1 TYR 635 HB3 -0.00 -0.04 0.11 -0.04 2.98 3.00 1ng9A1 TYR 635 HD2 0.00 0.27 0.03 -0.04 7.15 7.41 1ng9A1 TYR 635 HE2 -0.01 -0.03 -0.07 -0.04 6.85 6.69 1ng9A1 ILE 636 H 0.09 0.37 -0.32 -0.55 8.25 7.84 1ng9A1 ILE 636 HA -0.04 0.10 0.72 -0.75 4.18 4.21 1ng9A1 ILE 636 HB 0.22 -0.09 0.07 -0.04 1.89 2.05 1ng9A1 ILE 636 HG12 0.11 0.07 0.06 -0.04 1.49 1.69 1ng9A1 ILE 636 HG13 0.13 -0.15 -0.05 -0.04 1.21 1.11 1ng9A1 ILE 636 HG23 0.11 0.06 -0.22 -0.04 0.93 0.84 1ng9A1 ILE 636 HD13 0.22 -0.03 -0.07 -0.04 0.88 0.96 1ng9A1 GLY 637 H 0.06 0.37 -0.14 -0.55 8.43 8.17 1ng9A1 GLY 637 HA2 0.09 0.06 0.36 -0.51 4.01 4.01 1ng9A1 GLY 637 HA3 0.06 0.03 0.71 -0.51 4.01 4.29 1ng9A1 SER 638 H 0.12 0.17 -0.12 -0.55 8.46 8.09 1ng9A1 SER 638 HA 0.16 -0.02 0.29 -0.75 4.49 4.16 1ng9A1 SER 638 HB2 0.16 -0.08 0.01 -0.04 3.95 3.99 1ng9A1 SER 638 HB3 0.11 0.09 0.06 -0.04 3.93 4.15 1ng9A1 TYR 639 H 0.28 0.04 0.09 -0.55 8.29 8.14 1ng9A1 TYR 639 HA 0.01 0.15 0.64 -0.75 4.56 4.61 1ng9A1 TYR 639 HB2 0.19 -0.03 -0.04 -0.04 3.06 3.14 1ng9A1 TYR 639 HB3 0.14 -0.03 -0.24 -0.04 2.98 2.81 1ng9A1 TYR 639 HD2 0.07 0.11 -0.22 -0.04 7.15 7.06 1ng9A1 TYR 639 HE2 0.04 0.01 0.01 -0.04 6.85 6.87 1ng9A1 VAL 640 H 0.04 0.45 0.26 -0.55 8.24 8.44 1ng9A1 VAL 640 HA -0.32 0.18 0.61 -0.75 4.13 3.85 1ng9A1 VAL 640 HB -0.13 0.08 0.06 -0.04 2.12 2.09 1ng9A1 VAL 640 HG13 -0.15 -0.04 -0.27 -0.04 0.97 0.47 1ng9A1 VAL 640 HG23 -0.11 0.04 -0.19 -0.04 0.95 0.65 1ng9A1 PRO 641 HA -0.21 0.24 0.55 -0.51 4.44 4.51 1ng9A1 PRO 641 HB2 -0.19 -0.06 0.16 -0.04 2.28 2.14 1ng9A1 PRO 641 HB3 -0.43 0.06 0.06 -0.04 2.02 1.66 1ng9A1 PRO 641 HG2 -0.24 0.03 0.22 -0.04 2.03 2.00 1ng9A1 PRO 641 HG3 -0.32 -0.04 0.13 -0.04 2.03 1.75 1ng9A1 PRO 641 HD2 -0.31 0.06 0.16 -0.04 3.68 3.56 1ng9A1 PRO 641 HD3 -0.67 0.17 0.17 -0.04 3.65 3.28 1ng9A1 ALA 642 H -0.04 0.51 0.42 -0.55 8.40 8.75 1ng9A1 ALA 642 HA -0.01 0.31 0.62 -0.75 4.34 4.51 1ng9A1 ALA 642 HB3 -0.05 0.01 -0.20 -0.04 1.41 1.13 1ng9A1 GLN 643 H 0.00 0.48 0.22 -0.55 8.47 8.62 1ng9A1 GLN 643 HA -0.00 0.12 0.69 -0.75 4.36 4.42 1ng9A1 GLN 643 HB2 0.01 0.01 0.06 -0.04 2.15 2.19 1ng9A1 GLN 643 HB3 -0.00 -0.03 -0.11 -0.04 2.02 1.84 1ng9A1 GLN 643 HG2 -0.01 -0.03 -0.04 -0.04 2.40 2.29 1ng9A1 GLN 643 HG3 0.00 0.03 0.08 -0.04 2.39 2.46 1ng9A1 GLN 643 HE21 0.00 -0.04 -0.03 -0.04 6.97 6.86 1ng9A1 GLN 643 HE22 -0.00 0.00 -0.05 -0.04 7.69 7.60 1ng9A1 LYS 644 H -0.03 0.20 -0.10 -0.55 8.42 7.93 1ng9A1 LYS 644 HA -0.07 0.10 0.32 -0.75 4.32 3.91 1ng9A1 LYS 644 HB2 -0.04 0.22 0.08 -0.04 1.87 2.09 1ng9A1 LYS 644 HB3 -0.03 -0.14 -0.15 -0.04 1.79 1.42 1ng9A1 LYS 644 HG2 -0.05 -0.03 -0.40 -0.04 1.46 0.95 1ng9A1 LYS 644 HG3 -0.07 0.07 -0.05 -0.04 1.46 1.36 1ng9A1 LYS 644 HD2 -0.03 0.03 -0.04 -0.04 1.69 1.60 1ng9A1 LYS 644 HD3 -0.03 -0.07 -0.11 -0.04 1.68 1.43 1ng9A1 LYS 644 HE2 -0.05 -0.00 -0.13 -0.04 2.99 2.77 1ng9A1 LYS 644 HE3 -0.05 0.04 -0.05 -0.04 2.99 2.89 1ng9A1 VAL 645 H -0.12 0.29 0.10 -0.55 8.24 7.96 1ng9A1 VAL 645 HA -0.07 0.38 0.99 -0.75 4.13 4.68 1ng9A1 VAL 645 HB -0.15 0.00 0.03 -0.04 2.12 1.96 1ng9A1 VAL 645 HG13 -0.12 0.01 -0.24 -0.04 0.97 0.57 1ng9A1 VAL 645 HG23 -0.09 -0.02 -0.21 -0.04 0.95 0.59 1ng9A1 GLU 646 H -0.07 0.51 0.26 -0.55 8.60 8.76 1ng9A1 GLU 646 HA -0.13 0.24 0.81 -0.75 4.29 4.45 1ng9A1 GLU 646 HB2 -0.04 -0.02 0.15 -0.04 2.09 2.14 1ng9A1 GLU 646 HB3 -0.04 -0.02 -0.07 -0.04 1.99 1.82 1ng9A1 GLU 646 HG2 -0.06 0.02 -0.05 -0.04 2.34 2.20 1ng9A1 GLU 646 HG3 -0.07 0.01 -0.19 -0.04 2.34 2.05 1ng9A1 ILE 647 H -0.11 0.62 0.32 -0.55 8.25 8.53 1ng9A1 ILE 647 HA 0.02 0.22 1.11 -0.75 4.18 4.77 1ng9A1 ILE 647 HB -0.04 -0.11 -0.20 -0.04 1.89 1.50 1ng9A1 ILE 647 HG12 0.29 0.35 -0.10 -0.04 1.49 1.99 1ng9A1 ILE 647 HG13 0.09 -0.04 0.12 -0.04 1.21 1.33 1ng9A1 ILE 647 HG23 -0.10 0.04 -0.05 -0.04 0.93 0.77 1ng9A1 ILE 647 HD13 0.18 -0.02 -0.06 -0.04 0.88 0.94 1ng9A1 GLY 648 H 0.07 0.64 0.34 -0.55 8.43 8.92 1ng9A1 GLY 648 HA2 0.12 0.11 0.53 -0.51 4.01 4.26 1ng9A1 GLY 648 HA3 0.04 0.16 0.26 -0.51 4.01 3.96 1ng9A1 PRO 649 HA 0.12 0.07 0.50 -0.51 4.44 4.62 1ng9A1 PRO 649 HB2 0.26 -0.02 -0.09 -0.04 2.28 2.39 1ng9A1 PRO 649 HB3 0.14 0.02 0.06 -0.04 2.02 2.20 1ng9A1 PRO 649 HG2 0.00 -0.05 0.01 -0.04 2.03 1.95 1ng9A1 PRO 649 HG3 0.20 0.09 0.02 -0.04 2.03 2.29 1ng9A1 PRO 649 HD2 0.01 0.03 -0.38 -0.04 3.68 3.30 1ng9A1 PRO 649 HD3 0.11 0.29 0.02 -0.04 3.65 4.03 1ng9A1 ILE 650 H -0.29 0.23 0.16 -0.55 8.25 7.79 1ng9A1 ILE 650 HA 0.02 0.47 0.93 -0.75 4.18 4.84 1ng9A1 ILE 650 HB -0.30 0.02 0.00 -0.04 1.89 1.58 1ng9A1 ILE 650 HG12 -0.01 0.06 -0.16 -0.04 1.49 1.34 1ng9A1 ILE 650 HG13 -0.01 0.14 -0.27 -0.04 1.21 1.04 1ng9A1 ILE 650 HG23 -0.06 -0.04 -0.11 -0.04 0.93 0.68 1ng9A1 ILE 650 HD13 0.02 -0.02 -0.09 -0.04 0.88 0.75 1ng9A1 ASP 651 H 0.05 0.30 0.01 -0.55 8.40 8.22 1ng9A1 ASP 651 HA -0.07 0.26 0.83 -0.75 4.63 4.90 1ng9A1 ASP 651 HB2 -0.04 -0.01 0.04 -0.04 2.71 2.66 1ng9A1 ASP 651 HB3 -0.02 0.00 -0.03 -0.04 2.70 2.62 1ng9A1 ARG 652 H -0.03 0.16 0.13 -0.55 8.46 8.16 1ng9A1 ARG 652 HA -0.19 0.34 0.85 -0.75 4.34 4.59 1ng9A1 ARG 652 HB2 -0.07 -0.13 -0.01 -0.04 1.90 1.64 1ng9A1 ARG 652 HB3 -0.67 0.03 -0.06 -0.04 1.80 1.05 1ng9A1 ARG 652 HG2 -0.13 0.14 0.02 -0.04 1.67 1.66 1ng9A1 ARG 652 HG3 -0.04 -0.10 -0.39 -0.04 1.67 1.09 1ng9A1 ARG 652 HD2 -0.01 -0.06 -0.03 -0.04 3.22 3.09 1ng9A1 ARG 652 HD3 0.13 0.12 -0.05 -0.04 3.22 3.38 1ng9A1 ILE 653 H -0.24 0.58 0.27 -0.55 8.25 8.31 1ng9A1 ILE 653 HA -0.06 0.37 1.07 -0.75 4.18 4.80 1ng9A1 ILE 653 HB -0.10 -0.05 0.10 -0.04 1.89 1.81 1ng9A1 ILE 653 HG12 -0.06 0.01 -0.14 -0.04 1.49 1.26 1ng9A1 ILE 653 HG13 -0.09 0.03 -0.21 -0.04 1.21 0.91 1ng9A1 ILE 653 HG23 -0.02 -0.01 -0.08 -0.04 0.93 0.77 1ng9A1 ILE 653 HD13 -0.03 0.01 -0.07 -0.04 0.88 0.75 1ng9A1 PHE 654 H 0.13 0.66 0.37 -0.55 8.34 8.94 1ng9A1 PHE 654 HA -0.01 0.02 0.92 -0.75 4.62 4.79 1ng9A1 PHE 654 HB2 -0.01 0.02 0.13 -0.04 3.15 3.24 1ng9A1 PHE 654 HB3 -0.01 -0.02 -0.06 -0.04 3.06 2.93 1ng9A1 PHE 654 HD2 -0.00 0.03 -0.12 -0.04 7.28 7.15 1ng9A1 PHE 654 HE2 0.01 -0.05 -0.13 -0.04 7.38 7.16 1ng9A1 PHE 654 HZ 0.01 0.13 -0.35 -0.04 7.32 7.07 1ng9A1 THR 655 H 0.09 0.11 0.14 -0.55 8.28 8.08 1ng9A1 THR 655 HA 0.04 0.33 0.92 -0.75 4.39 4.92 1ng9A1 THR 655 HB 0.02 -0.16 -0.12 -0.04 4.32 4.02 1ng9A1 THR 655 HG23 0.01 0.00 -0.22 -0.04 1.22 0.98 1ng9A1 ARG 656 H -0.01 0.72 0.22 -0.55 8.46 8.84 1ng9A1 ARG 656 HA -0.00 0.12 0.83 -0.75 4.34 4.53 1ng9A1 ARG 656 HB2 -0.03 0.00 -0.07 -0.04 1.90 1.76 1ng9A1 ARG 656 HB3 -0.08 -0.03 0.22 -0.04 1.80 1.87 1ng9A1 ARG 656 HG2 -0.02 0.00 -0.01 -0.04 1.67 1.60 1ng9A1 ARG 656 HG3 -0.05 -0.04 -0.11 -0.04 1.67 1.44 1ng9A1 ARG 656 HD2 -0.05 0.01 -0.33 -0.04 3.22 2.80 1ng9A1 ARG 656 HD3 -0.03 -0.01 -0.13 -0.04 3.22 3.01 1ng9A1 VAL 657 H -0.00 0.18 -0.01 -0.55 8.24 7.86 1ng9A1 VAL 657 HA -0.01 0.14 0.80 -0.75 4.13 4.30 1ng9A1 VAL 657 HB 0.01 -0.06 0.14 -0.04 2.12 2.16 1ng9A1 VAL 657 HG13 0.00 -0.02 -0.14 -0.04 0.97 0.78 1ng9A1 VAL 657 HG23 0.01 0.06 -0.10 -0.04 0.95 0.88 1ng9A1 GLY 658 H 0.01 0.12 0.13 -0.55 8.43 8.14 1ng9A1 GLY 658 HA2 0.03 -0.01 0.50 -0.51 4.01 4.03 1ng9A1 GLY 658 HA3 0.03 0.00 0.34 -0.51 4.01 3.88 1ng9A1 ALA 659 H 0.04 0.09 0.10 -0.55 8.40 8.08 1ng9A1 ALA 659 HA 0.02 0.31 0.66 -0.75 4.34 4.58 1ng9A1 ALA 659 HB3 0.03 0.02 0.05 -0.04 1.41 1.46 1ng9A1 GLY 666 HA2 0.01 -0.10 0.14 -0.51 4.01 3.56 1ng9A1 GLY 666 HA3 0.01 -0.04 0.49 -0.51 4.01 3.96 1ng9A1 ARG 667 H 0.02 -0.03 -0.07 -0.55 8.46 7.82 1ng9A1 ARG 667 HA 0.02 0.23 0.62 -0.75 4.34 4.45 1ng9A1 ARG 667 HB2 0.02 -0.11 0.13 -0.04 1.90 1.90 1ng9A1 ARG 667 HB3 0.02 0.07 0.12 -0.04 1.80 1.97 1ng9A1 ARG 667 HG2 0.01 0.21 -0.43 -0.04 1.67 1.41 1ng9A1 ARG 667 HG3 0.01 -0.09 -0.07 -0.04 1.67 1.49 1ng9A1 ARG 667 HD2 0.01 -0.03 -0.00 -0.04 3.22 3.17 1ng9A1 ARG 667 HD3 0.01 0.07 -0.05 -0.04 3.22 3.21 1ng9A1 SER 668 H 0.03 0.15 0.13 -0.55 8.46 8.22 1ng9A1 SER 668 HA 0.05 0.19 0.67 -0.75 4.49 4.64 1ng9A1 SER 668 HB2 0.04 0.12 0.07 -0.04 3.95 4.14 1ng9A1 SER 668 HB3 0.04 0.00 0.22 -0.04 3.93 4.15 1ng9A1 THR 669 H 0.07 0.28 0.24 -0.55 8.28 8.31 1ng9A1 THR 669 HA 0.05 0.10 0.16 -0.75 4.39 3.95 1ng9A1 THR 669 HB 0.07 -0.01 0.12 -0.04 4.32 4.45 1ng9A1 THR 669 HG23 0.04 0.05 0.09 -0.04 1.22 1.36 1ng9A1 PHE 670 H 0.21 0.10 -0.07 -0.55 8.34 8.03 1ng9A1 PHE 670 HA 0.03 0.13 0.61 -0.75 4.62 4.64 1ng9A1 PHE 670 HB2 0.03 0.08 0.07 -0.04 3.15 3.29 1ng9A1 PHE 670 HB3 0.03 -0.02 0.02 -0.04 3.06 3.04 1ng9A1 PHE 670 HD2 0.04 0.01 -0.10 -0.04 7.28 7.19 1ng9A1 PHE 670 HE2 0.06 0.05 -0.09 -0.04 7.38 7.35 1ng9A1 PHE 670 HZ 0.06 0.00 -0.06 -0.04 7.32 7.28 1ng9A1 MET 671 H 0.10 0.08 -0.21 -0.55 8.47 7.89 1ng9A1 MET 671 HA -0.07 0.09 0.47 -0.75 4.52 4.25 1ng9A1 MET 671 HB2 0.04 -0.01 0.10 -0.04 2.15 2.23 1ng9A1 MET 671 HB3 0.03 0.12 0.16 -0.04 2.03 2.30 1ng9A1 MET 671 HG2 0.01 0.02 -0.01 -0.04 2.63 2.61 1ng9A1 MET 671 HG3 -0.01 0.02 -0.27 -0.04 2.56 2.26 1ng9A1 MET 671 HE3 0.01 0.01 -0.00 -0.04 2.10 2.08 1ng9A1 VAL 672 H 0.00 0.39 -0.13 -0.55 8.24 7.95 1ng9A1 VAL 672 HA -0.02 0.06 0.30 -0.75 4.13 3.71 1ng9A1 VAL 672 HB -0.00 0.04 0.01 -0.04 2.12 2.12 1ng9A1 VAL 672 HG13 0.01 0.05 -0.03 -0.04 0.97 0.96 1ng9A1 VAL 672 HG23 0.01 0.02 -0.03 -0.04 0.95 0.92 1ng9A1 GLU 673 H -0.04 0.40 -0.17 -0.55 8.60 8.25 1ng9A1 GLU 673 HA -0.03 0.09 0.43 -0.75 4.29 4.03 1ng9A1 GLU 673 HB2 -0.06 0.04 0.18 -0.04 2.09 2.21 1ng9A1 GLU 673 HB3 -0.03 -0.00 0.00 -0.04 1.99 1.92 1ng9A1 GLU 673 HG2 0.02 0.15 0.08 -0.04 2.34 2.55 1ng9A1 GLU 673 HG3 0.02 0.04 0.14 -0.04 2.34 2.51 1ng9A1 MET 674 H -0.24 0.40 -0.39 -0.55 8.47 7.70 1ng9A1 MET 674 HA -0.19 0.07 0.56 -0.75 4.52 4.21 1ng9A1 MET 674 HB2 -0.29 0.15 0.19 -0.04 2.15 2.16 1ng9A1 MET 674 HB3 -0.19 -0.04 -0.01 -0.04 2.03 1.75 1ng9A1 MET 674 HG2 -1.21 0.06 0.02 -0.04 2.63 1.46 1ng9A1 MET 674 HG3 -0.70 -0.07 -0.02 -0.04 2.56 1.73 1ng9A1 MET 674 HE3 -0.14 -0.01 -0.11 -0.04 2.10 1.80 1ng9A1 THR 675 H -0.08 0.49 -0.03 -0.55 8.28 8.12 1ng9A1 THR 675 HA -0.02 0.07 0.59 -0.75 4.39 4.27 1ng9A1 THR 675 HB -0.01 -0.04 0.08 -0.04 4.32 4.31 1ng9A1 THR 675 HG23 -0.02 0.09 0.03 -0.04 1.22 1.27 1ng9A1 GLU 676 H -0.04 0.48 -0.20 -0.55 8.60 8.29 1ng9A1 GLU 676 HA 0.01 0.02 0.50 -0.75 4.29 4.06 1ng9A1 GLU 676 HB2 -0.02 0.15 0.17 -0.04 2.09 2.35 1ng9A1 GLU 676 HB3 -0.01 0.01 0.00 -0.04 1.99 1.96 1ng9A1 GLU 676 HG2 0.02 -0.06 0.07 -0.04 2.34 2.34 1ng9A1 GLU 676 HG3 0.00 -0.03 0.01 -0.04 2.34 2.29 1ng9A1 THR 677 H -0.05 0.31 -0.31 -0.55 8.28 7.68 1ng9A1 THR 677 HA -0.06 0.06 0.50 -0.75 4.39 4.14 1ng9A1 THR 677 HB -0.07 0.10 0.14 -0.04 4.32 4.45 1ng9A1 THR 677 HG23 -0.04 -0.01 -0.08 -0.04 1.22 1.05 1ng9A1 ALA 678 H -0.03 0.30 -0.37 -0.55 8.40 7.75 1ng9A1 ALA 678 HA -0.08 0.06 0.42 -0.75 4.34 3.98 1ng9A1 ALA 678 HB3 0.07 0.05 0.11 -0.04 1.41 1.59 1ng9A1 ASN 679 H 0.02 0.45 -0.14 -0.55 8.53 8.31 1ng9A1 ASN 679 HA 0.09 0.02 0.43 -0.75 4.76 4.55 1ng9A1 ASN 679 HB2 0.05 -0.01 0.12 -0.04 2.88 2.99 1ng9A1 ASN 679 HB3 0.04 0.18 0.12 -0.04 2.79 3.09 1ng9A1 ASN 679 HD21 0.37 -0.03 -0.14 -0.04 7.03 7.19 1ng9A1 ASN 679 HD22 0.19 0.10 -0.21 -0.04 7.74 7.78 1ng9A1 ILE 680 H -0.09 0.32 -0.41 -0.55 8.25 7.52 1ng9A1 ILE 680 HA -0.82 0.01 0.37 -0.75 4.18 2.99 1ng9A1 ILE 680 HB -0.17 0.16 0.12 -0.04 1.89 1.96 1ng9A1 ILE 680 HG12 -0.27 -0.07 -0.06 -0.04 1.49 1.05 1ng9A1 ILE 680 HG13 -0.06 -0.01 0.00 -0.04 1.21 1.10 1ng9A1 ILE 680 HG23 -0.35 -0.00 -0.17 -0.04 0.93 0.37 1ng9A1 ILE 680 HD13 -0.02 -0.00 -0.18 -0.04 0.88 0.63 1ng9A1 LEU 681 H -0.16 0.38 -0.20 -0.55 8.37 7.84 1ng9A1 LEU 681 HA -0.17 0.07 0.34 -0.75 4.35 3.83 1ng9A1 LEU 681 HB2 -0.26 0.03 0.09 -0.04 1.64 1.46 1ng9A1 LEU 681 HB3 -0.21 -0.03 0.05 -0.04 1.64 1.41 1ng9A1 LEU 681 HG -0.11 0.13 0.03 -0.04 1.64 1.65 1ng9A1 LEU 681 HD13 -0.08 -0.04 -0.06 -0.04 0.93 0.70 1ng9A1 LEU 681 HD23 -0.07 -0.00 -0.05 -0.04 0.89 0.72 1ng9A1 HIS 682 H -0.05 0.27 -0.40 -0.55 8.41 7.68 1ng9A1 HIS 682 HA -0.03 0.11 0.63 -0.75 4.63 4.59 1ng9A1 HIS 682 HB2 -0.02 0.04 0.13 -0.04 3.26 3.37 1ng9A1 HIS 682 HB3 -0.01 -0.07 0.03 -0.04 3.20 3.10 1ng9A1 HIS 682 HD2 -0.02 -0.08 -0.18 -0.04 6.97 6.64 1ng9A1 HIS 682 HE1 -0.01 -0.03 -0.02 -0.04 7.75 7.65 1ng9A1 ASN 683 H -0.04 0.26 -0.12 -0.55 8.53 8.08 1ng9A1 ASN 683 HA 0.08 0.18 0.80 -0.75 4.76 5.07 1ng9A1 ASN 683 HB2 0.21 0.07 -0.00 -0.04 2.88 3.11 1ng9A1 ASN 683 HB3 0.19 -0.08 0.08 -0.04 2.79 2.94 1ng9A1 ASN 683 HD21 0.09 -0.15 0.02 -0.04 7.03 6.95 1ng9A1 ASN 683 HD22 0.11 0.35 0.12 -0.04 7.74 8.27 1ng9A1 ALA 684 H -0.14 0.26 -0.01 -0.55 8.40 7.96 1ng9A1 ALA 684 HA 0.23 0.00 0.61 -0.75 4.34 4.42 1ng9A1 ALA 684 HB3 -0.28 -0.00 0.06 -0.04 1.41 1.14 1ng9A1 THR 685 H 0.15 0.05 0.20 -0.55 8.28 8.12 1ng9A1 THR 685 HA 0.06 0.29 0.77 -0.75 4.39 4.75 1ng9A1 THR 685 HB 0.08 -0.03 0.18 -0.04 4.32 4.52 1ng9A1 THR 685 HG23 0.07 0.06 -0.22 -0.04 1.22 1.08 1ng9A1 GLU 686 H 0.15 0.14 0.16 -0.55 8.60 8.50 1ng9A1 GLU 686 HA 0.06 0.32 0.28 -0.75 4.29 4.19 1ng9A1 GLU 686 HB2 0.24 -0.12 0.12 -0.04 2.09 2.28 1ng9A1 GLU 686 HB3 0.04 0.02 0.13 -0.04 1.99 2.14 1ng9A1 GLU 686 HG2 0.04 0.20 0.07 -0.04 2.34 2.61 1ng9A1 GLU 686 HG3 0.07 -0.02 0.09 -0.04 2.34 2.44 1ng9A1 TYR 687 H 0.30 -0.09 -0.33 -0.55 8.29 7.62 1ng9A1 TYR 687 HA 0.01 0.32 0.84 -0.75 4.56 4.97 1ng9A1 TYR 687 HB2 0.00 -0.09 0.03 -0.04 3.06 2.96 1ng9A1 TYR 687 HB3 -0.02 -0.06 0.02 -0.04 2.98 2.89 1ng9A1 TYR 687 HD2 -0.00 -0.09 -0.16 -0.04 7.15 6.85 1ng9A1 TYR 687 HE2 0.00 0.01 -0.00 -0.04 6.85 6.82 1ng9A1 SER 688 H 0.14 0.24 -0.18 -0.55 8.46 8.11 1ng9A1 SER 688 HA 0.09 0.01 0.81 -0.75 4.49 4.64 1ng9A1 SER 688 HB2 0.21 0.05 0.08 -0.04 3.95 4.25 1ng9A1 SER 688 HB3 0.36 0.14 0.06 -0.04 3.93 4.45 1ng9A1 LEU 689 H 0.05 0.46 0.42 -0.55 8.37 8.75 1ng9A1 LEU 689 HA 0.05 0.29 0.97 -0.75 4.35 4.91 1ng9A1 LEU 689 HB2 0.01 0.06 0.07 -0.04 1.64 1.74 1ng9A1 LEU 689 HB3 0.01 -0.05 0.20 -0.04 1.64 1.76 1ng9A1 LEU 689 HG 0.02 -0.09 -0.25 -0.04 1.64 1.28 1ng9A1 LEU 689 HD13 0.01 0.04 -0.04 -0.04 0.93 0.90 1ng9A1 LEU 689 HD23 -0.01 -0.00 -0.12 -0.04 0.89 0.72 1ng9A1 VAL 690 H 0.06 0.68 0.32 -0.55 8.24 8.75 1ng9A1 VAL 690 HA 0.16 0.08 1.02 -0.75 4.13 4.64 1ng9A1 VAL 690 HB 0.05 0.05 0.02 -0.04 2.12 2.20 1ng9A1 VAL 690 HG13 -0.01 -0.03 -0.25 -0.04 0.97 0.64 1ng9A1 VAL 690 HG23 0.12 0.01 -0.33 -0.04 0.95 0.70 1ng9A1 LEU 691 H 0.06 0.71 0.33 -0.55 8.37 8.93 1ng9A1 LEU 691 HA 0.00 0.24 0.98 -0.75 4.35 4.82 1ng9A1 LEU 691 HB2 0.01 -0.10 0.22 -0.04 1.64 1.72 1ng9A1 LEU 691 HB3 0.00 -0.06 -0.00 -0.04 1.64 1.54 1ng9A1 LEU 691 HG 0.02 0.09 -0.02 -0.04 1.64 1.69 1ng9A1 LEU 691 HD13 0.00 -0.03 -0.18 -0.04 0.93 0.68 1ng9A1 LEU 691 HD23 -0.00 -0.00 -0.22 -0.04 0.89 0.63 1ng9A1 MET 692 H -0.10 0.74 0.36 -0.55 8.47 8.92 1ng9A1 MET 692 HA -0.17 0.12 1.03 -0.75 4.52 4.74 1ng9A1 MET 692 HB2 -0.98 -0.07 0.23 -0.04 2.15 1.29 1ng9A1 MET 692 HB3 -0.65 0.01 0.04 -0.04 2.03 1.38 1ng9A1 MET 692 HG2 -0.12 0.03 -0.26 -0.04 2.63 2.24 1ng9A1 MET 692 HG3 -0.21 0.00 -0.09 -0.04 2.56 2.22 1ng9A1 MET 692 HE3 -0.14 -0.01 -0.06 -0.04 2.10 1.84 1ng9A1 ASP 693 H -0.11 0.70 0.29 -0.55 8.40 8.74 1ng9A1 ASP 693 HA -0.07 0.12 0.87 -0.75 4.63 4.80 1ng9A1 ASP 693 HB2 -0.03 0.04 0.05 -0.04 2.71 2.73 1ng9A1 ASP 693 HB3 -0.02 -0.00 0.12 -0.04 2.70 2.76 1ng9A1 GLU 694 H -0.01 -0.01 0.14 -0.55 8.60 8.17 1ng9A1 GLU 694 HA -0.06 0.06 0.36 -0.75 4.29 3.90 1ng9A1 GLU 694 HB2 0.08 0.00 -0.00 -0.04 2.09 2.12 1ng9A1 GLU 694 HB3 0.07 -0.05 0.11 -0.04 1.99 2.07 1ng9A1 GLU 694 HG2 0.02 0.09 -0.10 -0.04 2.34 2.30 1ng9A1 GLU 694 HG3 0.04 -0.03 0.08 -0.04 2.34 2.39 1ng9A1 ILE 695 H 0.03 0.11 0.19 -0.55 8.25 8.03 1ng9A1 ILE 695 HA 0.07 0.08 0.75 -0.75 4.18 4.32 1ng9A1 ILE 695 HB 0.08 -0.06 0.06 -0.04 1.89 1.93 1ng9A1 ILE 695 HG12 0.21 -0.05 -0.11 -0.04 1.49 1.50 1ng9A1 ILE 695 HG13 0.26 0.05 -0.02 -0.04 1.21 1.46 1ng9A1 ILE 695 HG23 0.02 0.05 -0.24 -0.04 0.93 0.72 1ng9A1 ILE 695 HD13 0.18 -0.02 -0.08 -0.04 0.88 0.91 1ng9A1 GLY 696 H 0.14 0.07 0.12 -0.55 8.43 8.21 1ng9A1 GLY 696 HA2 0.09 0.05 0.56 -0.51 4.01 4.20 1ng9A1 GLY 696 HA3 0.12 0.04 0.33 -0.51 4.01 4.00 1ng9A1 ALA 697 H 0.04 0.09 0.16 -0.55 8.40 8.15 1ng9A1 ALA 697 HA 0.12 0.00 0.62 -0.75 4.34 4.32 1ng9A1 ALA 697 HB3 0.01 0.02 0.13 -0.04 1.41 1.53 1ng9A1 GLY 698 H -0.12 -0.08 0.13 -0.55 8.43 7.82 1ng9A1 GLY 698 HA2 -1.04 0.19 0.66 -0.51 4.01 3.32 1ng9A1 GLY 698 HA3 -0.41 -0.09 0.31 -0.51 4.01 3.30 1ng9A1 THR 699 H -0.19 0.12 0.10 -0.55 8.28 7.76 1ng9A1 THR 699 HA -0.09 0.16 0.35 -0.75 4.39 4.05 1ng9A1 THR 699 HB -0.04 0.07 0.11 -0.04 4.32 4.42 1ng9A1 THR 699 HG23 -0.05 0.00 0.06 -0.04 1.22 1.18 1ng9A1 SER 700 H -0.07 -0.10 -0.24 -0.55 8.46 7.50 1ng9A1 SER 700 HA -0.05 0.34 0.84 -0.75 4.49 4.87 1ng9A1 SER 700 HB2 -0.02 0.05 -0.10 -0.04 3.95 3.84 1ng9A1 SER 700 HB3 -0.02 -0.14 0.03 -0.04 3.93 3.76 1ng9A1 THR 701 H -0.09 0.21 0.15 -0.55 8.28 8.00 1ng9A1 THR 701 HA -0.16 0.16 0.27 -0.75 4.39 3.90 1ng9A1 THR 701 HB -0.49 -0.05 0.13 -0.04 4.32 3.87 1ng9A1 THR 701 HG23 -0.59 0.03 -0.03 -0.04 1.22 0.59 1ng9A1 TYR 702 H -0.02 0.14 0.01 -0.55 8.29 7.86 1ng9A1 TYR 702 HA -0.03 0.15 0.74 -0.75 4.56 4.67 1ng9A1 TYR 702 HB2 -0.03 0.05 0.03 -0.04 3.06 3.06 1ng9A1 TYR 702 HB3 -0.06 0.03 0.12 -0.04 2.98 3.03 1ng9A1 TYR 702 HD2 -0.02 -0.02 -0.00 -0.04 7.15 7.06 1ng9A1 TYR 702 HE2 0.02 0.03 -0.02 -0.04 6.85 6.84 1ng9A1 ASP 703 H 0.01 0.11 -0.49 -0.55 8.40 7.48 1ng9A1 ASP 703 HA 0.04 0.16 0.37 -0.75 4.63 4.45 1ng9A1 ASP 703 HB2 -0.02 -0.08 -0.02 -0.04 2.71 2.55 1ng9A1 ASP 703 HB3 -0.06 -0.02 0.04 -0.04 2.70 2.62 1ng9A1 GLY 704 H 0.03 0.14 -0.12 -0.55 8.43 7.94 1ng9A1 GLY 704 HA2 0.20 0.16 0.40 -0.51 4.01 4.26 1ng9A1 GLY 704 HA3 0.14 0.08 0.26 -0.51 4.01 3.99 1ng9A1 LEU 705 H -0.05 0.08 -0.16 -0.55 8.37 7.70 1ng9A1 LEU 705 HA -0.40 0.08 0.49 -0.75 4.35 3.77 1ng9A1 LEU 705 HB2 -0.86 0.02 0.11 -0.04 1.64 0.86 1ng9A1 LEU 705 HB3 -0.05 -0.00 0.10 -0.04 1.64 1.65 1ng9A1 LEU 705 HG -0.01 0.08 -0.33 -0.04 1.64 1.35 1ng9A1 LEU 705 HD13 -0.11 -0.02 -0.01 -0.04 0.93 0.75 1ng9A1 LEU 705 HD23 0.14 0.00 -0.02 -0.04 0.89 0.98 1ng9A1 SER 706 H 0.03 0.48 -0.22 -0.55 8.46 8.20 1ng9A1 SER 706 HA -0.02 0.06 0.49 -0.75 4.49 4.27 1ng9A1 SER 706 HB2 0.05 0.14 0.10 -0.04 3.95 4.19 1ng9A1 SER 706 HB3 -0.00 -0.00 0.02 -0.04 3.93 3.90 1ng9A1 LEU 707 H 0.11 0.22 -0.33 -0.55 8.37 7.82 1ng9A1 LEU 707 HA 0.10 0.07 0.33 -0.75 4.35 4.10 1ng9A1 LEU 707 HB2 0.19 0.10 0.12 -0.04 1.64 2.01 1ng9A1 LEU 707 HB3 0.11 0.02 0.01 -0.04 1.64 1.74 1ng9A1 LEU 707 HG 0.11 -0.01 0.02 -0.04 1.64 1.72 1ng9A1 LEU 707 HD13 0.25 -0.01 -0.00 -0.04 0.93 1.12 1ng9A1 LEU 707 HD23 0.07 0.01 -0.01 -0.04 0.89 0.91 1ng9A1 ALA 708 H 0.14 0.29 -0.17 -0.55 8.40 8.10 1ng9A1 ALA 708 HA 0.25 0.10 0.48 -0.75 4.34 4.42 1ng9A1 ALA 708 HB3 0.24 0.02 0.09 -0.04 1.41 1.71 1ng9A1 TRP 709 H 0.25 0.54 -0.20 -0.55 7.97 8.02 1ng9A1 TRP 709 HA -0.11 0.06 0.48 -0.75 4.62 4.29 1ng9A1 TRP 709 HB2 -0.08 0.02 0.10 -0.04 3.23 3.23 1ng9A1 TRP 709 HB3 -0.05 0.13 0.15 -0.04 3.23 3.42 1ng9A1 TRP 709 HD1 -0.05 0.00 -0.35 -0.04 7.22 6.78 1ng9A1 TRP 709 HE1 -0.05 0.04 -0.08 -0.04 10.20 10.07 1ng9A1 TRP 709 HE3 -0.09 -0.07 -0.13 -0.04 7.59 7.26 1ng9A1 TRP 709 HZ2 -0.05 0.06 -0.09 -0.04 7.44 7.31 1ng9A1 TRP 709 HZ3 -0.06 0.02 -0.19 -0.04 7.13 6.87 1ng9A1 TRP 709 HH2 -0.05 0.03 -0.11 -0.04 7.19 7.01 1ng9A1 ALA 710 H 0.22 0.52 -0.06 -0.55 8.40 8.53 1ng9A1 ALA 710 HA 0.19 0.05 0.35 -0.75 4.34 4.18 1ng9A1 ALA 710 HB3 0.08 0.01 0.08 -0.04 1.41 1.54 1ng9A1 CYS 711 H 0.11 0.40 -0.40 -0.55 8.50 8.06 1ng9A1 CYS 711 HA 0.03 0.05 0.44 -0.75 4.58 4.36 1ng9A1 CYS 711 HB2 0.16 0.06 0.16 -0.04 2.97 3.31 1ng9A1 CYS 711 HB3 0.11 -0.02 -0.06 -0.04 2.97 2.95 1ng9A1 ALA 712 H 0.00 0.45 -0.20 -0.55 8.40 8.10 1ng9A1 ALA 712 HA -0.01 0.05 0.35 -0.75 4.34 3.98 1ng9A1 ALA 712 HB3 -0.53 0.04 0.10 -0.04 1.41 0.97 1ng9A1 GLU 713 H -0.06 0.38 -0.40 -0.55 8.60 7.98 1ng9A1 GLU 713 HA -0.09 0.08 0.36 -0.75 4.29 3.88 1ng9A1 GLU 713 HB2 -0.04 0.01 0.05 -0.04 2.09 2.07 1ng9A1 GLU 713 HB3 0.06 0.09 0.11 -0.04 1.99 2.21 1ng9A1 GLU 713 HG2 0.03 -0.01 -0.24 -0.04 2.34 2.07 1ng9A1 GLU 713 HG3 0.02 0.01 -0.01 -0.04 2.34 2.32 1ng9A1 ASN 714 H 0.00 0.41 -0.18 -0.55 8.53 8.22 1ng9A1 ASN 714 HA -0.01 0.01 0.56 -0.75 4.76 4.57 1ng9A1 ASN 714 HB2 -0.00 0.09 0.17 -0.04 2.88 3.09 1ng9A1 ASN 714 HB3 -0.02 0.10 0.11 -0.04 2.79 2.94 1ng9A1 ASN 714 HD21 -0.03 0.02 0.03 -0.04 7.03 7.01 1ng9A1 ASN 714 HD22 -0.01 -0.01 0.04 -0.04 7.74 7.72 1ng9A1 LEU 715 H -0.01 0.41 -0.39 -0.55 8.37 7.83 1ng9A1 LEU 715 HA -0.02 -0.01 0.45 -0.75 4.35 4.02 1ng9A1 LEU 715 HB2 0.02 0.10 0.07 -0.04 1.64 1.80 1ng9A1 LEU 715 HB3 0.01 0.03 -0.08 -0.04 1.64 1.56 1ng9A1 LEU 715 HG -0.01 -0.00 -0.07 -0.04 1.64 1.51 1ng9A1 LEU 715 HD13 0.08 -0.02 -0.15 -0.04 0.93 0.80 1ng9A1 LEU 715 HD23 -0.06 -0.01 -0.13 -0.04 0.89 0.65 1ng9A1 ALA 716 H -0.04 0.34 -0.17 -0.55 8.40 7.98 1ng9A1 ALA 716 HA -0.03 0.14 0.42 -0.75 4.34 4.12 1ng9A1 ALA 716 HB3 -0.07 0.02 0.04 -0.04 1.41 1.36 1ng9A1 ASN 717 H -0.02 0.50 -0.08 -0.55 8.53 8.38 1ng9A1 ASN 717 HA -0.01 0.14 0.31 -0.75 4.76 4.44 1ng9A1 ASN 717 HB2 -0.01 -0.06 0.05 -0.04 2.88 2.82 1ng9A1 ASN 717 HB3 -0.01 0.13 0.14 -0.04 2.79 3.01 1ng9A1 ASN 717 HD21 0.01 -0.06 -0.07 -0.04 7.03 6.86 1ng9A1 ASN 717 HD22 0.00 -0.01 -0.11 -0.04 7.74 7.58 1ng9A1 LYS 718 H -0.01 0.26 0.01 -0.55 8.42 8.12 1ng9A1 LYS 718 HA -0.00 0.16 0.83 -0.75 4.32 4.56 1ng9A1 LYS 718 HB2 -0.01 0.01 0.23 -0.04 1.87 2.06 1ng9A1 LYS 718 HB3 -0.01 0.04 -0.00 -0.04 1.79 1.77 1ng9A1 LYS 718 HG2 -0.00 -0.04 0.01 -0.04 1.46 1.39 1ng9A1 LYS 718 HG3 0.00 0.02 0.03 -0.04 1.46 1.48 1ng9A1 LYS 718 HD2 0.00 0.03 -0.17 -0.04 1.69 1.51 1ng9A1 LYS 718 HD3 -0.00 -0.02 -0.01 -0.04 1.68 1.60 1ng9A1 LYS 718 HE2 0.00 -0.04 -0.02 -0.04 2.99 2.89 1ng9A1 LYS 718 HE3 0.00 -0.00 -0.01 -0.04 2.99 2.94 1ng9A1 ILE 719 H -0.01 0.39 0.14 -0.55 8.25 8.22 1ng9A1 ILE 719 HA 0.01 0.07 0.40 -0.75 4.18 3.90 1ng9A1 ILE 719 HB -0.02 -0.00 0.09 -0.04 1.89 1.92 1ng9A1 ILE 719 HG12 -0.03 0.08 -0.04 -0.04 1.49 1.46 1ng9A1 ILE 719 HG13 -0.03 -0.05 0.02 -0.04 1.21 1.11 1ng9A1 ILE 719 HG23 -0.01 0.02 -0.37 -0.04 0.93 0.53 1ng9A1 ILE 719 HD13 -0.08 -0.00 -0.06 -0.04 0.88 0.70 1ng9A1 LYS 720 H -0.00 0.24 -0.22 -0.55 8.42 7.88 1ng9A1 LYS 720 HA -0.00 0.21 0.29 -0.75 4.32 4.06 1ng9A1 LYS 720 HB2 0.01 0.05 -0.13 -0.04 1.87 1.76 1ng9A1 LYS 720 HB3 0.00 -0.04 0.19 -0.04 1.79 1.90 1ng9A1 LYS 720 HG2 -0.00 0.30 -0.05 -0.04 1.46 1.67 1ng9A1 LYS 720 HG3 0.00 -0.03 -0.60 -0.04 1.46 0.80 1ng9A1 LYS 720 HD2 0.01 -0.08 -0.05 -0.04 1.69 1.53 1ng9A1 LYS 720 HD3 -0.00 -0.02 0.00 -0.04 1.68 1.62 1ng9A1 LYS 720 HE2 0.01 0.09 -0.07 -0.04 2.99 2.97 1ng9A1 LYS 720 HE3 0.01 -0.13 -0.01 -0.04 2.99 2.81 1ng9A1 ALA 721 H 0.01 -0.06 -0.30 -0.55 8.40 7.50 1ng9A1 ALA 721 HA 0.03 0.10 0.55 -0.75 4.34 4.27 1ng9A1 ALA 721 HB3 0.04 0.00 -0.03 -0.04 1.41 1.38 1ng9A1 LEU 722 H 0.03 0.46 0.21 -0.55 8.37 8.52 1ng9A1 LEU 722 HA 0.01 0.33 0.84 -0.75 4.35 4.77 1ng9A1 LEU 722 HB2 0.02 -0.01 0.22 -0.04 1.64 1.83 1ng9A1 LEU 722 HB3 0.01 -0.08 0.00 -0.04 1.64 1.52 1ng9A1 LEU 722 HG -0.02 0.09 -0.07 -0.04 1.64 1.60 1ng9A1 LEU 722 HD13 -0.01 -0.05 -0.17 -0.04 0.93 0.66 1ng9A1 LEU 722 HD23 -0.02 0.02 -0.23 -0.04 0.89 0.61 1ng9A1 THR 723 H 0.03 0.86 0.40 -0.55 8.28 9.01 1ng9A1 THR 723 HA 0.05 0.23 1.11 -0.75 4.39 5.03 1ng9A1 THR 723 HB 0.06 -0.03 0.09 -0.04 4.32 4.40 1ng9A1 THR 723 HG23 0.15 -0.03 -0.22 -0.04 1.22 1.08 1ng9A1 LEU 724 H 0.04 0.35 0.29 -0.55 8.37 8.51 1ng9A1 LEU 724 HA 0.09 0.18 0.92 -0.75 4.35 4.78 1ng9A1 LEU 724 HB2 0.03 -0.09 0.14 -0.04 1.64 1.67 1ng9A1 LEU 724 HB3 0.07 -0.05 0.05 -0.04 1.64 1.67 1ng9A1 LEU 724 HG -0.00 0.02 -0.06 -0.04 1.64 1.56 1ng9A1 LEU 724 HD13 -0.11 -0.01 -0.03 -0.04 0.93 0.74 1ng9A1 LEU 724 HD23 0.02 0.02 -0.08 -0.04 0.89 0.82 1ng9A1 PHE 725 H 0.19 0.44 0.15 -0.55 8.34 8.57 1ng9A1 PHE 725 HA 0.01 0.20 0.96 -0.75 4.62 5.04 1ng9A1 PHE 725 HB2 -0.02 0.05 -0.25 -0.04 3.15 2.90 1ng9A1 PHE 725 HB3 -0.02 -0.04 0.20 -0.04 3.06 3.16 1ng9A1 PHE 725 HD2 -0.02 -0.01 -0.22 -0.04 7.28 7.00 1ng9A1 PHE 725 HE2 0.01 -0.09 -0.11 -0.04 7.38 7.15 1ng9A1 PHE 725 HZ 0.03 -0.08 -0.00 -0.04 7.32 7.23 1ng9A1 ALA 726 H 0.02 0.29 0.14 -0.55 8.40 8.30 1ng9A1 ALA 726 HA 0.13 0.20 0.79 -0.75 4.34 4.71 1ng9A1 ALA 726 HB3 0.06 -0.04 0.04 -0.04 1.41 1.44 1ng9A1 THR 727 H 0.12 0.64 0.36 -0.55 8.28 8.86 1ng9A1 THR 727 HA -0.03 0.03 0.69 -0.75 4.39 4.32 1ng9A1 THR 727 HB 0.39 0.19 -0.35 -0.04 4.32 4.50 1ng9A1 THR 727 HG23 0.13 0.03 -0.13 -0.04 1.22 1.21 1ng9A1 HIS 728 H -0.51 0.15 0.15 -0.55 8.41 7.65 1ng9A1 HIS 728 HA 0.07 0.20 0.80 -0.75 4.63 4.94 1ng9A1 HIS 728 HB2 -0.02 -0.03 0.14 -0.04 3.26 3.32 1ng9A1 HIS 728 HB3 -0.02 0.03 0.08 -0.04 3.20 3.25 1ng9A1 HIS 728 HD2 -0.47 -0.04 -0.29 -0.04 6.97 6.12 1ng9A1 HIS 728 HE1 -0.14 0.21 0.03 -0.04 7.75 7.81 1ng9A1 TYR 729 H -0.09 0.08 -0.11 -0.55 8.29 7.62 1ng9A1 TYR 729 HA 0.22 0.09 0.62 -0.75 4.56 4.75 1ng9A1 TYR 729 HB2 0.07 0.09 0.15 -0.04 3.06 3.32 1ng9A1 TYR 729 HB3 0.15 -0.08 0.07 -0.04 2.98 3.07 1ng9A1 TYR 729 HD2 0.13 0.05 0.03 -0.04 7.15 7.32 1ng9A1 TYR 729 HE2 0.13 0.09 -0.03 -0.04 6.85 6.99 1ng9A1 PHE 730 H 0.40 0.29 0.19 -0.55 8.34 8.67 1ng9A1 PHE 730 HA 0.08 0.13 0.36 -0.75 4.62 4.44 1ng9A1 PHE 730 HB2 0.07 0.02 0.11 -0.04 3.15 3.31 1ng9A1 PHE 730 HB3 0.09 0.01 0.00 -0.04 3.06 3.12 1ng9A1 PHE 730 HD2 0.02 -0.03 -0.15 -0.04 7.28 7.09 1ng9A1 PHE 730 HE2 -0.04 0.04 -0.22 -0.04 7.38 7.13 1ng9A1 PHE 730 HZ -0.05 0.24 -0.15 -0.04 7.32 7.32 1ng9A1 GLU 731 H 0.33 -0.00 -0.34 -0.55 8.60 8.03 1ng9A1 GLU 731 HA 0.23 0.15 0.41 -0.75 4.29 4.33 1ng9A1 GLU 731 HB2 0.24 -0.07 0.01 -0.04 2.09 2.23 1ng9A1 GLU 731 HB3 0.29 0.07 -0.02 -0.04 1.99 2.30 1ng9A1 GLU 731 HG2 0.15 0.05 -0.00 -0.04 2.34 2.50 1ng9A1 GLU 731 HG3 0.23 0.06 0.00 -0.04 2.34 2.59 1ng9A1 LEU 732 H 0.11 0.25 -0.34 -0.55 8.37 7.85 1ng9A1 LEU 732 HA -0.36 0.07 0.36 -0.75 4.35 3.67 1ng9A1 LEU 732 HB2 -0.06 0.16 0.00 -0.04 1.64 1.70 1ng9A1 LEU 732 HB3 -0.33 0.06 0.06 -0.04 1.64 1.38 1ng9A1 LEU 732 HG 0.07 -0.15 -0.02 -0.04 1.64 1.51 1ng9A1 LEU 732 HD13 -0.04 -0.00 -0.07 -0.04 0.93 0.78 1ng9A1 LEU 732 HD23 -0.25 0.01 -0.12 -0.04 0.89 0.49 1ng9A1 THR 733 H -0.19 0.38 -0.57 -0.55 8.28 7.34 1ng9A1 THR 733 HA -0.21 0.12 0.63 -0.75 4.39 4.17 1ng9A1 THR 733 HB -0.32 -0.03 0.12 -0.04 4.32 4.05 1ng9A1 THR 733 HG23 -0.48 -0.02 -0.00 -0.04 1.22 0.68 1ng9A1 GLN 734 H -0.09 0.42 -0.20 -0.55 8.47 8.05 1ng9A1 GLN 734 HA -0.03 0.10 0.63 -0.75 4.36 4.30 1ng9A1 GLN 734 HB2 0.24 0.07 0.06 -0.04 2.15 2.48 1ng9A1 GLN 734 HB3 0.14 -0.03 0.08 -0.04 2.02 2.17 1ng9A1 GLN 734 HG2 0.06 0.00 0.00 -0.04 2.40 2.43 1ng9A1 GLN 734 HG3 0.08 0.04 0.07 -0.04 2.39 2.54 1ng9A1 GLN 734 HE21 0.08 -0.02 -0.00 -0.04 6.97 6.99 1ng9A1 GLN 734 HE22 0.11 0.02 -0.01 -0.04 7.69 7.77 1ng9A1 LEU 735 H -0.35 0.27 -0.45 -0.55 8.37 7.30 1ng9A1 LEU 735 HA -0.41 -0.02 0.23 -0.75 4.35 3.39 1ng9A1 LEU 735 HB2 -0.49 0.33 0.13 -0.04 1.64 1.56 1ng9A1 LEU 735 HB3 -0.38 0.05 -0.14 -0.04 1.64 1.13 1ng9A1 LEU 735 HG -1.62 -0.10 -0.01 -0.04 1.64 -0.12 1ng9A1 LEU 735 HD13 -0.73 -0.00 -0.01 -0.04 0.93 0.15 1ng9A1 LEU 735 HD23 -0.52 0.01 -0.08 -0.04 0.89 0.25 1ng9A1 PRO 736 HA -0.09 0.24 0.37 -0.51 4.44 4.44 1ng9A1 PRO 736 HB2 -0.07 -0.03 -0.01 -0.04 2.28 2.13 1ng9A1 PRO 736 HB3 -0.06 0.14 0.07 -0.04 2.02 2.12 1ng9A1 PRO 736 HG2 -0.10 0.02 -0.02 -0.04 2.03 1.89 1ng9A1 PRO 736 HG3 -0.10 -0.06 -0.31 -0.04 2.03 1.52 1ng9A1 PRO 736 HD2 -0.18 0.13 -0.39 -0.04 3.68 3.20 1ng9A1 PRO 736 HD3 -0.22 0.11 -0.05 -0.04 3.65 3.45 1ng9A1 GLU 737 H -0.06 0.14 -0.35 -0.55 8.60 7.79 1ng9A1 GLU 737 HA -0.02 -0.01 0.40 -0.75 4.29 3.91 1ng9A1 GLU 737 HB2 -0.01 -0.03 0.13 -0.04 2.09 2.13 1ng9A1 GLU 737 HB3 0.02 0.07 0.06 -0.04 1.99 2.09 1ng9A1 GLU 737 HG2 0.01 -0.02 -0.06 -0.04 2.34 2.23 1ng9A1 GLU 737 HG3 0.00 -0.03 0.06 -0.04 2.34 2.33 1ng9A1 LYS 738 H -0.02 0.36 -0.17 -0.55 8.42 8.03 1ng9A1 LYS 738 HA 0.03 0.05 0.52 -0.75 4.32 4.16 1ng9A1 LYS 738 HB2 0.07 0.07 0.08 -0.04 1.87 2.04 1ng9A1 LYS 738 HB3 0.11 -0.08 0.04 -0.04 1.79 1.82 1ng9A1 LYS 738 HG2 0.09 0.01 -0.05 -0.04 1.46 1.47 1ng9A1 LYS 738 HG3 0.26 -0.07 -0.05 -0.04 1.46 1.56 1ng9A1 LYS 738 HD2 0.09 -0.03 0.00 -0.04 1.69 1.71 1ng9A1 LYS 738 HD3 0.05 0.05 -0.05 -0.04 1.68 1.69 1ng9A1 LYS 738 HE2 0.09 0.00 -0.04 -0.04 2.99 3.00 1ng9A1 LYS 738 HE3 0.07 -0.05 -0.03 -0.04 2.99 2.94 1ng9A1 MET 739 H -0.05 0.47 -0.10 -0.55 8.47 8.24 1ng9A1 MET 739 HA -0.02 0.07 0.84 -0.75 4.52 4.66 1ng9A1 MET 739 HB2 -0.13 0.05 -0.04 -0.04 2.15 1.99 1ng9A1 MET 739 HB3 -0.09 0.10 -0.15 -0.04 2.03 1.86 1ng9A1 MET 739 HG2 -0.01 0.01 -0.28 -0.04 2.63 2.31 1ng9A1 MET 739 HG3 -0.11 -0.09 -0.10 -0.04 2.56 2.22 1ng9A1 MET 739 HE3 -0.02 0.08 0.07 -0.04 2.10 2.18 1ng9A1 GLU 740 H -0.02 0.08 0.17 -0.55 8.60 8.29 1ng9A1 GLU 740 HA -0.02 0.07 0.57 -0.75 4.29 4.15 1ng9A1 GLU 740 HB2 -0.01 -0.02 0.16 -0.04 2.09 2.18 1ng9A1 GLU 740 HB3 -0.02 0.05 0.07 -0.04 1.99 2.05 1ng9A1 GLU 740 HG2 -0.01 -0.05 0.17 -0.04 2.34 2.41 1ng9A1 GLU 740 HG3 -0.01 -0.04 0.07 -0.04 2.34 2.32 1ng9A1 GLY 741 H -0.02 0.13 0.24 -0.55 8.43 8.23 1ng9A1 GLY 741 HA2 -0.02 0.38 0.48 -0.51 4.01 4.34 1ng9A1 GLY 741 HA3 -0.03 0.14 0.51 -0.51 4.01 4.12 1ng9A1 VAL 742 H -0.05 0.31 -0.26 -0.55 8.24 7.69 1ng9A1 VAL 742 HA -0.06 0.30 0.99 -0.75 4.13 4.60 1ng9A1 VAL 742 HB -0.12 0.08 -0.11 -0.04 2.12 1.93 1ng9A1 VAL 742 HG13 -0.17 -0.04 -0.18 -0.04 0.97 0.54 1ng9A1 VAL 742 HG23 -0.12 0.04 -0.27 -0.04 0.95 0.56 1ng9A1 ALA 743 H -0.05 0.55 0.39 -0.55 8.40 8.73 1ng9A1 ALA 743 HA -0.04 0.08 0.88 -0.75 4.34 4.50 1ng9A1 ALA 743 HB3 -0.01 0.02 -0.07 -0.04 1.41 1.31 1ng9A1 ASN 744 H -0.03 0.14 0.20 -0.55 8.53 8.29 1ng9A1 ASN 744 HA -0.04 0.17 0.80 -0.75 4.76 4.93 1ng9A1 ASN 744 HB2 -0.04 -0.06 0.16 -0.04 2.88 2.90 1ng9A1 ASN 744 HB3 -0.02 0.04 -0.50 -0.04 2.79 2.26 1ng9A1 ASN 744 HD21 -0.15 0.41 0.28 -0.04 7.03 7.53 1ng9A1 ASN 744 HD22 -0.09 -0.10 0.11 -0.04 7.74 7.62 1ng9A1 VAL 745 H 0.03 0.63 0.36 -0.55 8.24 8.71 1ng9A1 VAL 745 HA 0.05 0.23 0.64 -0.75 4.13 4.30 1ng9A1 VAL 745 HB -0.05 -0.01 0.12 -0.04 2.12 2.13 1ng9A1 VAL 745 HG13 0.02 -0.02 -0.11 -0.04 0.97 0.81 1ng9A1 VAL 745 HG23 0.07 -0.03 -0.16 -0.04 0.95 0.78 1ng9A1 HIS 746 H -0.13 0.54 0.32 -0.55 8.41 8.59 1ng9A1 HIS 746 HA 0.00 0.01 0.75 -0.75 4.63 4.63 1ng9A1 HIS 746 HB2 0.05 -0.07 -0.05 -0.04 3.26 3.16 1ng9A1 HIS 746 HB3 0.01 0.04 -0.36 -0.04 3.20 2.85 1ng9A1 HIS 746 HD2 0.06 0.04 -0.49 -0.04 6.97 6.53 1ng9A1 HIS 746 HE1 0.01 0.07 -0.24 -0.04 7.75 7.54 1ng9A1 LEU 747 H 0.10 0.57 0.33 -0.55 8.37 8.83 1ng9A1 LEU 747 HA -0.14 0.30 0.87 -0.75 4.35 4.62 1ng9A1 LEU 747 HB2 0.03 -0.10 -0.04 -0.04 1.64 1.49 1ng9A1 LEU 747 HB3 -0.00 0.15 -0.11 -0.04 1.64 1.64 1ng9A1 LEU 747 HG -0.18 0.07 -0.33 -0.04 1.64 1.16 1ng9A1 LEU 747 HD13 -0.12 -0.05 -0.30 -0.04 0.93 0.41 1ng9A1 LEU 747 HD23 -0.02 -0.08 -0.30 -0.04 0.89 0.46 1ng9A1 ASP 748 H -0.09 0.34 0.28 -0.55 8.40 8.38 1ng9A1 ASP 748 HA 0.15 0.03 0.07 -0.75 4.63 4.13 1ng9A1 ASP 748 HB2 -0.10 0.25 0.15 -0.04 2.71 2.97 1ng9A1 ASP 748 HB3 -0.07 -0.09 0.03 -0.04 2.70 2.53 1ng9A1 ALA 749 H -0.03 0.24 0.18 -0.55 8.40 8.25 1ng9A1 ALA 749 HA -0.26 0.14 0.73 -0.75 4.34 4.20 1ng9A1 ALA 749 HB3 -0.55 0.02 0.02 -0.04 1.41 0.85 1ng9A1 LEU 750 H -0.30 0.35 0.22 -0.55 8.37 8.10 1ng9A1 LEU 750 HA -0.15 0.14 0.92 -0.75 4.35 4.50 1ng9A1 LEU 750 HB2 -0.41 -0.02 0.14 -0.04 1.64 1.30 1ng9A1 LEU 750 HB3 -0.27 0.07 -0.04 -0.04 1.64 1.36 1ng9A1 LEU 750 HG -0.17 -0.05 -0.04 -0.04 1.64 1.34 1ng9A1 LEU 750 HD13 -0.15 0.01 -0.03 -0.04 0.93 0.72 1ng9A1 LEU 750 HD23 -0.08 0.02 -0.08 -0.04 0.89 0.71 1ng9A1 GLU 751 H -0.07 0.19 0.15 -0.55 8.60 8.32 1ng9A1 GLU 751 HA -0.04 0.22 0.93 -0.75 4.29 4.65 1ng9A1 GLU 751 HB2 0.06 -0.03 0.15 -0.04 2.09 2.23 1ng9A1 GLU 751 HB3 0.05 0.03 -0.03 -0.04 1.99 2.00 1ng9A1 GLU 751 HG2 0.02 0.10 -0.06 -0.04 2.34 2.36 1ng9A1 GLU 751 HG3 -0.01 -0.06 -0.07 -0.04 2.34 2.16 1ng9A1 HIS 752 H 0.43 0.60 0.11 -0.55 8.41 9.01 1ng9A1 HIS 752 HA -0.03 0.08 0.76 -0.75 4.63 4.69 1ng9A1 HIS 752 HB2 -0.03 -0.02 -0.02 -0.04 3.26 3.15 1ng9A1 HIS 752 HB3 -0.04 0.04 -0.13 -0.04 3.20 3.03 1ng9A1 HIS 752 HD2 -0.04 0.00 -0.07 -0.04 6.97 6.82 1ng9A1 HIS 752 HE1 -0.10 -0.03 -0.39 -0.04 7.75 7.18 1ng9A1 GLY 753 H 0.03 0.14 0.09 -0.55 8.43 8.14 1ng9A1 GLY 753 HA2 -0.01 0.04 0.32 -0.51 4.01 3.85 1ng9A1 GLY 753 HA3 -0.06 0.06 0.54 -0.51 4.01 4.04 1ng9A1 ASP 754 H -0.05 0.15 0.13 -0.55 8.40 8.07 1ng9A1 ASP 754 HA -0.01 0.13 0.64 -0.75 4.63 4.63 1ng9A1 ASP 754 HB2 -0.03 0.03 0.16 -0.04 2.71 2.83 1ng9A1 ASP 754 HB3 -0.01 0.01 0.18 -0.04 2.70 2.84 1ng9A1 THR 755 H -0.02 0.34 -0.55 -0.55 8.28 7.51 1ng9A1 THR 755 HA -0.01 0.10 0.56 -0.75 4.39 4.28 1ng9A1 THR 755 HB -0.06 0.11 -0.13 -0.04 4.32 4.20 1ng9A1 THR 755 HG23 -0.30 -0.03 -0.11 -0.04 1.22 0.74 1ng9A1 ILE 756 H -0.04 0.23 0.15 -0.55 8.25 8.04 1ng9A1 ILE 756 HA -0.15 0.25 1.03 -0.75 4.18 4.56 1ng9A1 ILE 756 HB -0.16 -0.07 -0.14 -0.04 1.89 1.48 1ng9A1 ILE 756 HG12 -1.19 0.02 -0.31 -0.04 1.49 -0.03 1ng9A1 ILE 756 HG13 -0.57 0.08 -0.09 -0.04 1.21 0.59 1ng9A1 ILE 756 HG23 -0.19 -0.00 -0.06 -0.04 0.93 0.64 1ng9A1 ILE 756 HD13 -0.46 -0.03 -0.11 -0.04 0.88 0.24 1ng9A1 ALA 757 H -0.40 0.53 0.27 -0.55 8.40 8.25 1ng9A1 ALA 757 HA -0.25 0.17 0.89 -0.75 4.34 4.40 1ng9A1 ALA 757 HB3 -0.22 0.01 0.03 -0.04 1.41 1.19 1ng9A1 PHE 758 H -0.07 0.24 0.11 -0.55 8.34 8.07 1ng9A1 PHE 758 HA -0.27 0.11 0.87 -0.75 4.62 4.58 1ng9A1 PHE 758 HB2 -0.33 0.04 0.17 -0.04 3.15 2.99 1ng9A1 PHE 758 HB3 -0.44 0.05 0.07 -0.04 3.06 2.70 1ng9A1 PHE 758 HD2 -0.10 0.00 -0.08 -0.04 7.28 7.05 1ng9A1 PHE 758 HE2 -0.04 -0.05 -0.10 -0.04 7.38 7.15 1ng9A1 PHE 758 HZ -0.03 -0.06 -0.06 -0.04 7.32 7.13 1ng9A1 MET 759 H -0.19 0.37 0.21 -0.55 8.47 8.32 1ng9A1 MET 759 HA -0.11 0.15 0.38 -0.75 4.52 4.18 1ng9A1 MET 759 HB2 -0.10 -0.05 -0.03 -0.04 2.15 1.93 1ng9A1 MET 759 HB3 -0.08 0.05 0.03 -0.04 2.03 2.00 1ng9A1 MET 759 HG2 -0.17 -0.02 -0.11 -0.04 2.63 2.29 1ng9A1 MET 759 HG3 -0.11 -0.03 -0.13 -0.04 2.56 2.25 1ng9A1 MET 759 HE3 -0.13 0.01 -0.39 -0.04 2.10 1.55 1ng9A1 HIS 760 H -0.28 0.10 -0.03 -0.55 8.41 7.66 1ng9A1 HIS 760 HA -0.07 0.13 0.31 -0.75 4.63 4.25 1ng9A1 HIS 760 HB2 -0.14 0.17 -0.08 -0.04 3.26 3.17 1ng9A1 HIS 760 HB3 -0.20 -0.02 0.18 -0.04 3.20 3.11 1ng9A1 HIS 760 HD2 -0.07 -0.05 -0.26 -0.04 6.97 6.54 1ng9A1 HIS 760 HE1 0.00 -0.03 -0.01 -0.04 7.75 7.67 1ng9A1 SER 761 H -0.07 -0.05 -0.14 -0.55 8.46 7.65 1ng9A1 SER 761 HA -0.07 0.27 0.86 -0.75 4.49 4.81 1ng9A1 SER 761 HB2 -0.05 0.13 -0.05 -0.04 3.95 3.94 1ng9A1 SER 761 HB3 -0.07 -0.14 -0.06 -0.04 3.93 3.63 1ng9A1 VAL 762 H -0.14 0.23 0.17 -0.55 8.24 7.95 1ng9A1 VAL 762 HA -0.28 0.15 0.62 -0.75 4.13 3.86 1ng9A1 VAL 762 HB -0.23 0.03 0.13 -0.04 2.12 2.01 1ng9A1 VAL 762 HG13 -0.31 -0.01 -0.15 -0.04 0.97 0.46 1ng9A1 VAL 762 HG23 -0.89 0.01 -0.09 -0.04 0.95 -0.07 1ng9A1 GLN 763 H -0.37 0.57 0.42 -0.55 8.47 8.54 1ng9A1 GLN 763 HA -0.13 0.11 0.91 -0.75 4.36 4.50 1ng9A1 GLN 763 HB2 -0.79 0.01 0.01 -0.04 2.15 1.34 1ng9A1 GLN 763 HB3 -0.11 0.04 0.03 -0.04 2.02 1.93 1ng9A1 GLN 763 HG2 -0.22 0.06 -0.41 -0.04 2.40 1.79 1ng9A1 GLN 763 HG3 -0.14 -0.09 -0.07 -0.04 2.39 2.05 1ng9A1 GLN 763 HE21 -0.04 -0.01 -0.04 -0.04 6.97 6.84 1ng9A1 GLN 763 HE22 -0.07 -0.05 -0.11 -0.04 7.69 7.42 1ng9A1 ASP 764 H -0.04 0.09 0.17 -0.55 8.40 8.08 1ng9A1 ASP 764 HA 0.00 0.10 0.65 -0.75 4.63 4.63 1ng9A1 ASP 764 HB2 0.01 -0.04 0.16 -0.04 2.71 2.79 1ng9A1 ASP 764 HB3 0.01 0.02 0.05 -0.04 2.70 2.75 1ng9A1 GLY 765 H 0.04 0.49 0.33 -0.55 8.43 8.75 1ng9A1 GLY 765 HA2 0.03 -0.07 0.38 -0.51 4.01 3.84 1ng9A1 GLY 765 HA3 0.07 0.16 0.73 -0.51 4.01 4.46 1ng9A1 ALA 766 H -0.03 0.07 0.10 -0.55 8.40 7.99 1ng9A1 ALA 766 HA -0.05 0.08 0.51 -0.75 4.34 4.12 1ng9A1 ALA 766 HB3 -0.19 -0.00 0.08 -0.04 1.41 1.25 1ng9A1 ALA 767 H -0.12 0.01 0.01 -0.55 8.40 7.75 1ng9A1 ALA 767 HA -0.87 0.10 0.45 -0.75 4.34 3.26 1ng9A1 ALA 767 HB3 0.06 -0.02 0.02 -0.04 1.41 1.43 1ng9A1 SER 768 H -0.11 0.09 0.12 -0.55 8.46 8.02 1ng9A1 SER 768 HA 0.00 0.13 0.53 -0.75 4.49 4.39 1ng9A1 SER 768 HB2 -0.00 0.05 0.11 -0.04 3.95 4.06 1ng9A1 SER 768 HB3 0.01 -0.04 0.17 -0.04 3.93 4.03 1ng9A1 LYS 769 H -0.12 0.11 0.01 -0.55 8.42 7.87 1ng9A1 LYS 769 HA -0.28 0.18 0.46 -0.75 4.32 3.93 1ng9A1 LYS 769 HB2 -0.31 -0.02 0.15 -0.04 1.87 1.65 1ng9A1 LYS 769 HB3 -0.18 0.08 -0.13 -0.04 1.79 1.51 1ng9A1 LYS 769 HG2 -0.40 -0.08 -0.10 -0.04 1.46 0.84 1ng9A1 LYS 769 HG3 -0.83 0.05 -0.40 -0.04 1.46 0.24 1ng9A1 LYS 769 HD2 -0.12 0.04 -0.05 -0.04 1.69 1.52 1ng9A1 LYS 769 HD3 -0.02 -0.01 -0.06 -0.04 1.68 1.54 1ng9A1 LYS 769 HE2 -0.15 -0.06 -0.07 -0.04 2.99 2.67 1ng9A1 LYS 769 HE3 -0.16 0.03 0.03 -0.04 2.99 2.84 1ng9A1 SER 770 H -0.44 0.17 0.14 -0.55 8.46 7.78 1ng9A1 SER 770 HA -0.24 0.20 0.86 -0.75 4.49 4.56 1ng9A1 SER 770 HB2 -0.00 -0.09 0.12 -0.04 3.95 3.93 1ng9A1 SER 770 HB3 0.04 0.09 0.09 -0.04 3.93 4.11 1ng9A1 TYR 771 H 0.08 0.17 0.06 -0.55 8.29 8.04 1ng9A1 TYR 771 HA -0.00 0.23 0.75 -0.75 4.56 4.79 1ng9A1 TYR 771 HB2 0.06 -0.00 0.10 -0.04 3.06 3.18 1ng9A1 TYR 771 HB3 0.01 0.00 0.11 -0.04 2.98 3.06 1ng9A1 TYR 771 HD2 0.02 -0.05 -0.05 -0.04 7.15 7.03 1ng9A1 TYR 771 HE2 0.01 0.04 -0.02 -0.04 6.85 6.84 1ng9A1 GLY 772 H 0.01 0.20 -0.15 -0.55 8.43 7.94 1ng9A1 GLY 772 HA2 0.06 0.08 0.39 -0.51 4.01 4.03 1ng9A1 GLY 772 HA3 0.02 0.11 0.31 -0.51 4.01 3.94 1ng9A1 LEU 773 H 0.01 0.14 -0.05 -0.55 8.37 7.92 1ng9A1 LEU 773 HA 0.01 0.10 0.39 -0.75 4.35 4.10 1ng9A1 LEU 773 HB2 0.01 0.02 0.01 -0.04 1.64 1.63 1ng9A1 LEU 773 HB3 0.01 0.08 0.00 -0.04 1.64 1.68 1ng9A1 LEU 773 HG -0.02 -0.04 0.02 -0.04 1.64 1.56 1ng9A1 LEU 773 HD13 -0.01 0.05 -0.14 -0.04 0.93 0.79 1ng9A1 LEU 773 HD23 -0.01 -0.00 -0.06 -0.04 0.89 0.77 1ng9A1 ALA 774 H 0.07 0.02 -0.43 -0.55 8.40 7.52 1ng9A1 ALA 774 HA 0.04 0.10 0.38 -0.75 4.34 4.11 1ng9A1 ALA 774 HB3 0.10 0.05 -0.01 -0.04 1.41 1.51 1ng9A1 VAL 775 H 0.10 0.47 -0.05 -0.55 8.24 8.21 1ng9A1 VAL 775 HA 0.12 0.09 0.47 -0.75 4.13 4.06 1ng9A1 VAL 775 HB 0.09 0.05 0.17 -0.04 2.12 2.39 1ng9A1 VAL 775 HG13 0.07 -0.00 -0.08 -0.04 0.97 0.92 1ng9A1 VAL 775 HG23 0.21 0.01 0.08 -0.04 0.95 1.22 1ng9A1 ALA 776 H 0.04 0.42 -0.19 -0.55 8.40 8.13 1ng9A1 ALA 776 HA 0.02 0.05 0.46 -0.75 4.34 4.12 1ng9A1 ALA 776 HB3 0.01 0.03 0.08 -0.04 1.41 1.49 1ng9A1 ALA 777 H 0.03 0.37 -0.24 -0.55 8.40 8.02 1ng9A1 ALA 777 HA 0.01 0.08 0.55 -0.75 4.34 4.23 1ng9A1 ALA 777 HB3 0.02 0.03 0.08 -0.04 1.41 1.50 1ng9A1 LEU 778 H 0.04 0.32 -0.21 -0.55 8.37 7.98 1ng9A1 LEU 778 HA 0.03 0.07 0.58 -0.75 4.35 4.28 1ng9A1 LEU 778 HB2 0.06 -0.01 0.18 -0.04 1.64 1.84 1ng9A1 LEU 778 HB3 0.08 0.14 0.15 -0.04 1.64 1.97 1ng9A1 LEU 778 HG 0.07 0.01 0.02 -0.04 1.64 1.70 1ng9A1 LEU 778 HD13 0.05 -0.02 0.11 -0.04 0.93 1.03 1ng9A1 LEU 778 HD23 0.19 -0.01 0.02 -0.04 0.89 1.04 1ng9A1 ALA 779 H 0.03 0.22 -0.37 -0.55 8.40 7.73 1ng9A1 ALA 779 HA 0.02 0.10 0.52 -0.75 4.34 4.23 1ng9A1 ALA 779 HB3 0.02 0.00 0.11 -0.04 1.41 1.50 1ng9A1 GLY 780 H 0.02 0.26 -0.57 -0.55 8.43 7.58 1ng9A1 GLY 780 HA2 0.01 0.05 0.20 -0.51 4.01 3.76 1ng9A1 GLY 780 HA3 0.01 0.08 0.45 -0.51 4.01 4.04 1ng9A1 VAL 781 H 0.01 0.30 -0.00 -0.55 8.24 8.00 1ng9A1 VAL 781 HA 0.00 0.07 0.53 -0.75 4.13 3.98 1ng9A1 VAL 781 HB 0.01 -0.00 -0.06 -0.04 2.12 2.03 1ng9A1 VAL 781 HG13 0.00 0.00 -0.16 -0.04 0.97 0.77 1ng9A1 VAL 781 HG23 0.00 0.01 -0.01 -0.04 0.95 0.91 1ng9A1 PRO 782 HA 0.00 0.10 0.38 -0.51 4.44 4.41 1ng9A1 PRO 782 HB2 -0.00 -0.21 0.05 -0.04 2.28 2.07 1ng9A1 PRO 782 HB3 -0.00 0.04 0.14 -0.04 2.02 2.16 1ng9A1 PRO 782 HG2 -0.00 0.01 0.11 -0.04 2.03 2.11 1ng9A1 PRO 782 HG3 0.00 0.12 0.14 -0.04 2.03 2.24 1ng9A1 PRO 782 HD2 0.00 0.04 0.22 -0.04 3.68 3.91 1ng9A1 PRO 782 HD3 0.00 0.32 0.30 -0.04 3.65 4.23 1ng9A1 LYS 783 H -0.00 0.19 0.20 -0.55 8.42 8.25 1ng9A1 LYS 783 HA 0.00 0.15 0.44 -0.75 4.32 4.15 1ng9A1 LYS 783 HB2 -0.00 -0.02 0.16 -0.04 1.87 1.97 1ng9A1 LYS 783 HB3 -0.00 0.01 0.03 -0.04 1.79 1.79 1ng9A1 LYS 783 HG2 -0.00 0.04 0.06 -0.04 1.46 1.53 1ng9A1 LYS 783 HG3 -0.00 0.04 0.09 -0.04 1.46 1.56 1ng9A1 LYS 783 HD2 -0.00 -0.03 0.04 -0.04 1.69 1.66 1ng9A1 LYS 783 HD3 -0.00 0.01 0.03 -0.04 1.68 1.67 1ng9A1 LYS 783 HE2 -0.00 -0.01 0.04 -0.04 2.99 2.98 1ng9A1 LYS 783 HE3 -0.01 0.00 0.03 -0.04 2.99 2.97 1ng9A1 GLU 784 H -0.00 0.13 -0.08 -0.55 8.60 8.10 1ng9A1 GLU 784 HA -0.00 0.10 0.45 -0.75 4.29 4.08 1ng9A1 GLU 784 HB2 -0.00 0.05 -0.08 -0.04 2.09 2.02 1ng9A1 GLU 784 HB3 -0.00 0.06 0.09 -0.04 1.99 2.09 1ng9A1 GLU 784 HG2 -0.00 0.00 0.08 -0.04 2.34 2.38 1ng9A1 GLU 784 HG3 -0.00 -0.10 0.01 -0.04 2.34 2.21 1ng9A1 VAL 785 H -0.00 0.20 -0.36 -0.55 8.24 7.53 1ng9A1 VAL 785 HA -0.00 0.07 0.53 -0.75 4.13 3.97 1ng9A1 VAL 785 HB -0.00 0.20 0.03 -0.04 2.12 2.31 1ng9A1 VAL 785 HG13 -0.00 -0.00 -0.12 -0.04 0.97 0.81 1ng9A1 VAL 785 HG23 -0.00 -0.01 0.00 -0.04 0.95 0.90 1ng9A1 ILE 786 H -0.00 0.41 -0.16 -0.55 8.25 7.95 1ng9A1 ILE 786 HA -0.00 0.01 0.45 -0.75 4.18 3.89 1ng9A1 ILE 786 HB 0.00 0.11 0.12 -0.04 1.89 2.08 1ng9A1 ILE 786 HG12 0.00 0.13 -0.10 -0.04 1.49 1.49 1ng9A1 ILE 786 HG13 0.01 0.08 -0.06 -0.04 1.21 1.19 1ng9A1 ILE 786 HG23 0.00 -0.02 -0.10 -0.04 0.93 0.78 1ng9A1 ILE 786 HD13 0.01 -0.00 -0.10 -0.04 0.88 0.74 1ng9A1 LYS 787 H -0.00 0.55 -0.15 -0.55 8.42 8.27 1ng9A1 LYS 787 HA -0.00 0.05 0.51 -0.75 4.32 4.12 1ng9A1 LYS 787 HB2 -0.00 0.02 0.09 -0.04 1.87 1.93 1ng9A1 LYS 787 HB3 -0.00 0.11 0.17 -0.04 1.79 2.02 1ng9A1 LYS 787 HG2 -0.00 -0.00 -0.29 -0.04 1.46 1.13 1ng9A1 LYS 787 HG3 -0.00 -0.02 -0.00 -0.04 1.46 1.39 1ng9A1 LYS 787 HD2 -0.00 0.00 -0.03 -0.04 1.69 1.62 1ng9A1 LYS 787 HD3 -0.00 -0.01 -0.01 -0.04 1.68 1.61 1ng9A1 LYS 787 HE2 -0.00 -0.03 0.04 -0.04 2.99 2.95 1ng9A1 LYS 787 HE3 -0.00 0.01 -0.02 -0.04 2.99 2.93 1ng9A1 ARG 788 H -0.00 0.41 -0.22 -0.55 8.46 8.10 1ng9A1 ARG 788 HA -0.01 0.04 0.48 -0.75 4.34 4.10 1ng9A1 ARG 788 HB2 -0.00 0.06 0.16 -0.04 1.90 2.08 1ng9A1 ARG 788 HB3 -0.00 0.13 0.20 -0.04 1.80 2.08 1ng9A1 ARG 788 HG2 -0.00 0.00 0.01 -0.04 1.67 1.64 1ng9A1 ARG 788 HG3 -0.01 -0.03 -0.16 -0.04 1.67 1.43 1ng9A1 ARG 788 HD2 -0.00 -0.00 0.02 -0.04 3.22 3.19 1ng9A1 ARG 788 HD3 -0.00 -0.05 0.11 -0.04 3.22 3.23 1ng9A1 ALA 789 H -0.01 0.52 -0.18 -0.55 8.40 8.19 1ng9A1 ALA 789 HA -0.01 0.02 0.45 -0.75 4.34 4.05 1ng9A1 ALA 789 HB3 -0.01 0.02 0.10 -0.04 1.41 1.48 1ng9A1 ARG 790 H -0.01 0.46 -0.33 -0.55 8.46 8.03 1ng9A1 ARG 790 HA -0.02 -0.01 0.51 -0.75 4.34 4.08 1ng9A1 ARG 790 HB2 -0.01 0.15 0.18 -0.04 1.90 2.18 1ng9A1 ARG 790 HB3 -0.01 -0.03 0.03 -0.04 1.80 1.75 1ng9A1 ARG 790 HG2 -0.01 -0.08 0.03 -0.04 1.67 1.57 1ng9A1 ARG 790 HG3 -0.01 0.04 0.04 -0.04 1.67 1.70 1ng9A1 ARG 790 HD2 0.00 -0.05 -0.07 -0.04 3.22 3.06 1ng9A1 ARG 790 HD3 -0.00 0.03 -0.06 -0.04 3.22 3.15 1ng9A1 GLN 791 H -0.01 0.33 -0.36 -0.55 8.47 7.88 1ng9A1 GLN 791 HA -0.01 0.06 0.57 -0.75 4.36 4.23 1ng9A1 GLN 791 HB2 -0.01 0.09 0.15 -0.04 2.15 2.34 1ng9A1 GLN 791 HB3 -0.01 0.12 0.21 -0.04 2.02 2.30 1ng9A1 GLN 791 HG2 -0.01 -0.04 -0.05 -0.04 2.40 2.26 1ng9A1 GLN 791 HG3 -0.01 -0.01 0.05 -0.04 2.39 2.38 1ng9A1 GLN 791 HE21 -0.00 -0.02 -0.01 -0.04 6.97 6.90 1ng9A1 GLN 791 HE22 -0.01 0.00 -0.06 -0.04 7.69 7.58 1ng9A1 LYS 792 H -0.01 0.57 0.02 -0.55 8.42 8.45 1ng9A1 LYS 792 HA -0.01 0.02 0.44 -0.75 4.32 4.01 1ng9A1 LYS 792 HB2 -0.01 0.04 0.13 -0.04 1.87 1.99 1ng9A1 LYS 792 HB3 -0.01 0.10 0.13 -0.04 1.79 1.97 1ng9A1 LYS 792 HG2 -0.01 -0.02 -0.00 -0.04 1.46 1.39 1ng9A1 LYS 792 HG3 -0.01 -0.03 -0.11 -0.04 1.46 1.28 1ng9A1 LYS 792 HD2 -0.00 -0.01 0.09 -0.04 1.69 1.73 1ng9A1 LYS 792 HD3 -0.00 0.01 0.02 -0.04 1.68 1.67 1ng9A1 LYS 792 HE2 -0.00 -0.01 -0.00 -0.04 2.99 2.94 1ng9A1 LYS 792 HE3 -0.00 -0.03 0.02 -0.04 2.99 2.94 1ng9A1 LEU 793 H -0.01 0.33 -0.47 -0.55 8.37 7.67 1ng9A1 LEU 793 HA -0.02 -0.00 0.44 -0.75 4.35 4.01 1ng9A1 LEU 793 HB2 -0.03 0.07 0.14 -0.04 1.64 1.78 1ng9A1 LEU 793 HB3 -0.03 0.14 0.14 -0.04 1.64 1.85 1ng9A1 LEU 793 HG -0.05 0.04 -0.13 -0.04 1.64 1.46 1ng9A1 LEU 793 HD13 -0.05 -0.03 0.05 -0.04 0.93 0.86 1ng9A1 LEU 793 HD23 -0.06 -0.02 0.01 -0.04 0.89 0.79 1ng9A1 ARG 794 H -0.02 0.43 -0.19 -0.55 8.46 8.13 1ng9A1 ARG 794 HA -0.02 0.02 0.38 -0.75 4.34 3.96 1ng9A1 ARG 794 HB2 -0.01 0.16 0.23 -0.04 1.90 2.23 1ng9A1 ARG 794 HB3 -0.01 -0.01 -0.02 -0.04 1.80 1.72 1ng9A1 ARG 794 HG2 -0.02 -0.02 0.05 -0.04 1.67 1.64 1ng9A1 ARG 794 HG3 -0.02 0.00 0.07 -0.04 1.67 1.68 1ng9A1 ARG 794 HD2 -0.01 0.02 0.05 -0.04 3.22 3.24 1ng9A1 ARG 794 HD3 -0.01 -0.02 0.01 -0.04 3.22 3.16 1ng9A1 GLU 795 H -0.01 0.39 -0.15 -0.55 8.60 8.29 1ng9A1 GLU 795 HA -0.00 0.03 0.48 -0.75 4.29 4.04 1ng9A1 GLU 795 HB2 -0.00 0.20 0.15 -0.04 2.09 2.39 1ng9A1 GLU 795 HB3 -0.00 -0.04 0.01 -0.04 1.99 1.92 1ng9A1 GLU 795 HG2 -0.00 -0.02 0.04 -0.04 2.34 2.31 1ng9A1 GLU 795 HG3 -0.01 0.06 0.06 -0.04 2.34 2.41 1ng9A1 LEU 796 H -0.01 0.40 -0.24 -0.55 8.37 7.98 1ng9A1 LEU 796 HA 0.01 0.03 0.44 -0.75 4.35 4.07 1ng9A1 LEU 796 HB2 -0.01 0.12 0.16 -0.04 1.64 1.87 1ng9A1 LEU 796 HB3 0.02 -0.08 0.07 -0.04 1.64 1.60 1ng9A1 LEU 796 HG 0.00 0.09 0.07 -0.04 1.64 1.76 1ng9A1 LEU 796 HD13 -0.00 -0.03 -0.03 -0.04 0.93 0.83 1ng9A1 LEU 796 HD23 0.02 -0.02 0.02 -0.04 0.89 0.87 1ng9A1 GLU 797 H -0.02 0.45 -0.15 -0.55 8.60 8.34 1ng9A1 GLU 797 HA -0.02 0.04 0.62 -0.75 4.29 4.18 1ng9A1 GLU 797 HB2 -0.03 0.07 0.11 -0.04 2.09 2.20 1ng9A1 GLU 797 HB3 -0.03 -0.01 0.10 -0.04 1.99 2.01 1ng9A1 GLU 797 HG2 -0.07 -0.05 0.02 -0.04 2.34 2.20 1ng9A1 GLU 797 HG3 -0.05 0.10 0.01 -0.04 2.34 2.35 1ng9A1 SER 798 H -0.01 0.34 -0.32 -0.55 8.46 7.92 1ng9A1 SER 798 HA -0.01 0.11 0.62 -0.75 4.49 4.45 1ng9A1 SER 798 HB2 -0.00 -0.07 0.10 -0.04 3.95 3.93 1ng9A1 SER 798 HB3 -0.01 0.07 0.08 -0.04 3.93 4.04 1ng9A1 ILE 799 H 0.00 0.20 -0.44 -0.55 8.25 7.46 1ng9A1 ILE 799 HA 0.00 0.00 0.40 -0.75 4.18 3.83 1ng9A1 ILE 799 HB 0.01 0.06 0.09 -0.04 1.89 2.01 1ng9A1 ILE 799 HG12 0.01 -0.05 0.06 -0.04 1.49 1.47 1ng9A1 ILE 799 HG13 0.01 0.10 0.16 -0.04 1.21 1.44 1ng9A1 ILE 799 HG23 0.00 -0.03 -0.07 -0.04 0.93 0.80 1ng9A1 ILE 799 HD13 0.03 -0.03 0.07 -0.04 0.88 0.91 1ng9A1 SER 800 H 0.01 0.23 -0.35 -0.55 8.46 7.80 1ng9A1 SER 800 HA 0.00 0.24 0.64 -0.75 4.49 4.62 1ng9A1 SER 800 HB2 0.01 -0.01 -0.12 -0.04 3.95 3.79 1ng9A1 SER 800 HB3 0.02 -0.01 0.01 -0.04 3.93 3.91