============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 90 rings ring int. center anis. iso. TRP 7 1.040 14.721 15.610 15.931 -99.200 -91.000 TRP6 7 1.020 14.618 15.622 18.297 -99.200 -91.000 HIS 8 0.900 8.798 17.472 10.113 -99.200 -91.000 TYR 29 0.840 -8.591 40.653 15.301 -99.200 -91.000 TYR 41 0.840 -0.949 50.535 15.139 -99.200 -91.000 PHE 46 1.000 4.348 44.787 18.857 -99.200 -91.000 TYR 49 0.840 -6.068 49.315 21.602 -99.200 -91.000 HIS 65 0.900 11.505 23.770 -1.566 -99.200 -91.000 TYR 73 0.840 16.629 18.429 10.221 -99.200 -91.000 PHE 86 1.000 11.488 41.380 29.253 -99.200 -91.000 HIS 87 0.900 13.488 49.363 27.541 -99.200 -91.000 TRP 91 1.040 0.233 39.692 29.519 -99.200 -91.000 TRP6 91 1.020 1.426 39.073 31.474 -99.200 -91.000 HIS 99 0.900 1.608 30.529 26.081 -99.200 -91.000 PHE 119 1.000 16.582 50.563 35.162 -99.200 -91.000 HIS 124 0.900 3.281 44.802 30.375 -99.200 -91.000 TYR 132 0.840 1.492 33.436 31.799 -99.200 -91.000 PHE 136 1.000 3.872 28.464 31.307 -99.200 -91.000 PHE 168 1.000 22.096 35.644 21.645 -99.200 -91.000 HIS 172 0.900 9.678 42.442 18.909 -99.200 -91.000 TRP 179 1.040 11.539 26.618 16.572 -99.200 -91.000 TRP6 179 1.020 13.301 27.954 17.435 -99.200 -91.000 HIS 204 0.900 3.464 47.700 10.788 -99.200 -91.000 PHE 207 1.000 0.170 41.149 16.132 -99.200 -91.000 TYR 209 0.840 4.596 33.069 9.886 -99.200 -91.000 PHE 221 1.000 27.773 45.839 4.320 -99.200 -91.000 TRP 223 1.040 29.286 50.493 -0.039 -99.200 -91.000 TRP6 223 1.020 30.770 49.268 1.337 -99.200 -91.000 TYR 226 0.840 20.215 53.406 6.697 -99.200 -91.000 TYR 227 0.840 19.378 42.669 6.686 -99.200 -91.000 PHE 245 1.000 19.955 30.946 1.905 -99.200 -91.000 PHE 255 1.000 23.033 35.359 16.742 -99.200 -91.000 TRP 261 1.040 32.084 29.877 16.335 -99.200 -91.000 TRP6 261 1.020 34.365 30.474 16.087 -99.200 -91.000 PHE 262 1.000 27.870 35.183 21.666 -99.200 -91.000 TRP 263 1.040 30.532 33.321 26.033 -99.200 -91.000 TRP6 263 1.020 30.089 35.595 26.532 -99.200 -91.000 TYR 268 0.840 26.101 40.453 19.875 -99.200 -91.000 TRP 275 1.040 17.911 48.692 16.817 -99.200 -91.000 TRP6 275 1.020 18.608 49.620 14.756 -99.200 -91.000 TYR 280 0.840 25.543 45.980 9.327 -99.200 -91.000 PHE 284 1.000 31.085 43.318 8.503 -99.200 -91.000 TRP 287 1.040 30.641 34.765 6.655 -99.200 -91.000 TRP6 287 1.020 30.794 32.639 5.626 -99.200 -91.000 HIS 303 0.900 11.219 40.978 14.104 -99.200 -91.000 TYR 305 0.840 10.778 42.523 10.022 -99.200 -91.000 TYR 308 0.840 5.107 54.434 16.520 -99.200 -91.000 TYR 311 0.840 13.420 50.571 21.972 -99.200 -91.000 TRP 330 1.040 35.512 43.530 13.715 -99.200 -91.000 TRP6 330 1.020 36.670 41.492 13.997 -99.200 -91.000 TYR 334 0.840 36.522 46.995 1.066 -99.200 -91.000 TYR 337 0.840 35.389 52.060 -0.589 -99.200 -91.000 TYR 339 0.840 34.974 56.592 8.328 -99.200 -91.000 TYR 345 0.840 28.923 57.833 10.499 -99.200 -91.000 HIS 347 0.900 38.697 65.542 13.714 -99.200 -91.000 PHE 368 1.000 34.647 44.452 5.300 -99.200 -91.000 TRP 370 1.040 38.988 35.651 2.608 -99.200 -91.000 TRP6 370 1.020 37.248 35.125 4.120 -99.200 -91.000 PHE 371 1.000 32.106 39.958 4.877 -99.200 -91.000 TRP 377 1.040 30.731 36.191 -4.635 -99.200 -91.000 TRP6 377 1.020 29.249 36.308 -6.473 -99.200 -91.000 PHE 382 1.000 21.842 43.349 -6.395 -99.200 -91.000 TYR 383 0.840 22.621 47.953 -1.906 -99.200 -91.000 TRP 393 1.040 23.484 66.027 -14.136 -99.200 -91.000 TRP6 393 1.020 24.990 64.976 -15.623 -99.200 -91.000 HIS 409 0.900 9.367 69.500 -3.620 -99.200 -91.000 TRP 430 1.040 5.123 79.767 -7.614 -99.200 -91.000 TRP6 430 1.020 3.014 80.851 -7.598 -99.200 -91.000 PHE 436 1.000 12.327 64.751 -12.173 -99.200 -91.000 PHE 438 1.000 18.018 56.671 -17.676 -99.200 -91.000 TRP 440 1.040 24.733 53.605 -10.062 -99.200 -91.000 TRP6 440 1.020 24.572 51.326 -9.455 -99.200 -91.000 HIS 451 0.900 23.496 66.547 -3.104 -99.200 -91.000 PHE 455 1.000 10.623 58.870 -2.209 -99.200 -91.000 PHE 457 1.000 10.574 59.676 -13.097 -99.200 -91.000 HIS 462 0.900 -0.803 49.445 -23.236 -99.200 -91.000 TYR 469 0.840 5.984 50.835 -5.007 -99.200 -91.000 HIS 472 0.900 11.963 47.309 -8.067 -99.200 -91.000 TRP 480 1.040 11.961 54.550 -16.223 -99.200 -91.000 TRP6 480 1.020 9.859 54.915 -17.243 -99.200 -91.000 TYR 482 0.840 16.912 60.729 -23.107 -99.200 -91.000 TYR 489 0.840 11.869 49.942 -24.813 -99.200 -91.000 HIS 490 0.900 7.962 50.609 -17.974 -99.200 -91.000 HIS 504 0.900 -5.752 67.054 -18.488 -99.200 -91.000 PHE 507 1.000 -1.638 60.076 -20.948 -99.200 -91.000 TRP 520 1.040 9.647 62.440 -22.453 -99.200 -91.000 TRP6 520 1.020 8.302 63.827 -21.090 -99.200 -91.000 PHE 522 1.000 16.748 63.012 -18.325 -99.200 -91.000 HIS 524 0.900 23.574 69.727 -17.115 -99.200 -91.000 PHE 533 1.000 20.759 46.253 -20.842 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2d7iA1 GLY 68 HA2 0.01 -0.09 0.22 -0.51 4.01 3.64 2d7iA1 GLY 68 HA3 0.01 -0.04 0.16 -0.51 4.01 3.63 2d7iA1 GLN 69 H 0.01 0.10 0.02 -0.55 8.47 8.06 2d7iA1 GLN 69 HA 0.03 0.24 0.73 -0.75 4.36 4.61 2d7iA1 GLN 69 HB2 0.03 0.01 0.13 -0.04 2.15 2.27 2d7iA1 GLN 69 HB3 0.02 0.05 0.05 -0.04 2.02 2.09 2d7iA1 GLN 69 HG2 0.01 -0.04 0.07 -0.04 2.40 2.40 2d7iA1 GLN 69 HG3 0.01 0.02 0.05 -0.04 2.39 2.43 2d7iA1 GLN 69 HE21 0.01 0.00 -0.01 -0.04 6.97 6.93 2d7iA1 GLN 69 HE22 0.01 -0.02 -0.09 -0.04 7.69 7.55 2d7iA1 LYS 70 H 0.02 0.26 -0.47 -0.55 8.42 7.67 2d7iA1 LYS 70 HA 0.01 -0.01 0.44 -0.75 4.32 4.00 2d7iA1 LYS 70 HB2 0.01 0.00 0.13 -0.04 1.87 1.98 2d7iA1 LYS 70 HB3 -0.01 0.09 0.04 -0.04 1.79 1.87 2d7iA1 LYS 70 HG2 0.00 -0.04 -0.04 -0.04 1.46 1.34 2d7iA1 LYS 70 HG3 -0.00 0.01 0.01 -0.04 1.46 1.44 2d7iA1 LYS 70 HD2 -0.01 0.03 0.02 -0.04 1.69 1.68 2d7iA1 LYS 70 HD3 -0.00 -0.01 -0.00 -0.04 1.68 1.62 2d7iA1 LYS 70 HE2 -0.00 -0.02 -0.03 -0.04 2.99 2.90 2d7iA1 LYS 70 HE3 -0.00 0.00 -0.01 -0.04 2.99 2.94 2d7iA1 LEU 71 H 0.01 0.06 0.20 -0.55 8.37 8.09 2d7iA1 LEU 71 HA 0.07 0.08 0.41 -0.75 4.35 4.15 2d7iA1 LEU 71 HB2 0.00 -0.05 0.03 -0.04 1.64 1.58 2d7iA1 LEU 71 HB3 0.02 -0.06 -0.01 -0.04 1.64 1.55 2d7iA1 LEU 71 HG 0.02 0.12 0.01 -0.04 1.64 1.75 2d7iA1 LEU 71 HD13 -0.01 -0.00 -0.07 -0.04 0.93 0.80 2d7iA1 LEU 71 HD23 0.06 -0.02 -0.32 -0.04 0.89 0.56 2d7iA1 LYS 72 H 0.06 0.31 0.18 -0.55 8.42 8.41 2d7iA1 LYS 72 HA -0.10 0.03 0.52 -0.75 4.32 4.02 2d7iA1 LYS 72 HB2 -0.21 0.10 -0.23 -0.04 1.87 1.49 2d7iA1 LYS 72 HB3 -0.24 0.15 -0.20 -0.04 1.79 1.45 2d7iA1 LYS 72 HG2 -0.76 -0.05 -0.41 -0.04 1.46 0.19 2d7iA1 LYS 72 HG3 -0.39 -0.06 0.03 -0.04 1.46 1.00 2d7iA1 LYS 72 HD2 -0.60 0.00 -0.02 -0.04 1.69 1.04 2d7iA1 LYS 72 HD3 -1.90 0.07 -0.08 -0.04 1.68 -0.27 2d7iA1 LYS 72 HE2 -1.15 0.00 -0.11 -0.04 2.99 1.69 2d7iA1 LYS 72 HE3 -0.53 -0.03 -0.03 -0.04 2.99 2.35 2d7iA1 ASP 73 H -0.12 0.20 0.09 -0.55 8.40 8.03 2d7iA1 ASP 73 HA 0.14 0.23 0.92 -0.75 4.63 5.16 2d7iA1 ASP 73 HB2 0.04 0.05 0.10 -0.04 2.71 2.86 2d7iA1 ASP 73 HB3 0.00 -0.03 0.27 -0.04 2.70 2.90 2d7iA1 TRP 74 H 0.41 0.24 0.01 -0.55 7.97 8.08 2d7iA1 TRP 74 HA 0.01 0.11 0.38 -0.75 4.62 4.37 2d7iA1 TRP 74 HB2 -0.01 0.03 0.03 -0.04 3.23 3.23 2d7iA1 TRP 74 HB3 -0.07 -0.03 0.12 -0.04 3.23 3.21 2d7iA1 TRP 74 HD1 0.16 -0.05 -0.10 -0.04 7.22 7.19 2d7iA1 TRP 74 HE1 0.04 0.48 -0.27 -0.04 10.20 10.41 2d7iA1 TRP 74 HE3 -0.04 -0.04 0.03 -0.04 7.59 7.50 2d7iA1 TRP 74 HZ2 -0.02 0.27 -0.06 -0.04 7.44 7.59 2d7iA1 TRP 74 HZ3 -0.04 -0.10 -0.00 -0.04 7.13 6.95 2d7iA1 TRP 74 HH2 -0.03 -0.01 -0.02 -0.04 7.19 7.08 2d7iA1 HIS 75 H 0.25 0.06 -0.59 -0.55 8.41 7.59 2d7iA1 HIS 75 HA 0.14 0.04 0.47 -0.75 4.63 4.54 2d7iA1 HIS 75 HB2 0.08 0.02 0.07 -0.04 3.26 3.39 2d7iA1 HIS 75 HB3 0.07 -0.08 -0.07 -0.04 3.20 3.09 2d7iA1 HIS 75 HD2 0.09 -0.09 -0.06 -0.04 6.97 6.87 2d7iA1 HIS 75 HE1 0.15 0.26 0.00 -0.04 7.75 8.12 2d7iA1 ASP 76 H 0.15 0.19 0.12 -0.55 8.40 8.31 2d7iA1 ASP 76 HA 0.08 0.18 0.78 -0.75 4.63 4.92 2d7iA1 ASP 76 HB2 0.10 0.16 0.11 -0.04 2.71 3.04 2d7iA1 ASP 76 HB3 0.09 0.02 0.27 -0.04 2.70 3.03 2d7iA1 LYS 77 H 0.08 0.42 -0.13 -0.55 8.42 8.24 2d7iA1 LYS 77 HA 0.07 0.07 0.29 -0.75 4.32 3.99 2d7iA1 LYS 77 HB2 0.03 -0.02 0.09 -0.04 1.87 1.94 2d7iA1 LYS 77 HB3 0.03 0.02 0.01 -0.04 1.79 1.81 2d7iA1 LYS 77 HG2 0.04 0.01 -0.00 -0.04 1.46 1.47 2d7iA1 LYS 77 HG3 0.06 0.13 0.03 -0.04 1.46 1.64 2d7iA1 LYS 77 HD2 0.02 -0.01 0.03 -0.04 1.69 1.69 2d7iA1 LYS 77 HD3 0.01 -0.02 0.01 -0.04 1.68 1.64 2d7iA1 LYS 77 HE2 -0.01 0.02 0.01 -0.04 2.99 2.97 2d7iA1 LYS 77 HE3 0.02 0.05 0.03 -0.04 2.99 3.06 2d7iA1 GLU 78 H 0.04 0.12 -0.21 -0.55 8.60 8.01 2d7iA1 GLU 78 HA 0.03 0.08 0.45 -0.75 4.29 4.09 2d7iA1 GLU 78 HB2 0.03 -0.01 0.11 -0.04 2.09 2.18 2d7iA1 GLU 78 HB3 0.03 0.06 -0.04 -0.04 1.99 2.00 2d7iA1 GLU 78 HG2 0.02 -0.01 0.03 -0.04 2.34 2.33 2d7iA1 GLU 78 HG3 0.02 0.04 0.02 -0.04 2.34 2.38 2d7iA1 ALA 79 H 0.05 0.16 -0.10 -0.55 8.40 7.96 2d7iA1 ALA 79 HA 0.04 0.03 0.43 -0.75 4.34 4.09 2d7iA1 ALA 79 HB3 0.06 0.06 0.15 -0.04 1.41 1.63 2d7iA1 ILE 80 H 0.06 0.42 -0.19 -0.55 8.25 7.99 2d7iA1 ILE 80 HA 0.04 0.04 0.37 -0.75 4.18 3.88 2d7iA1 ILE 80 HB 0.05 0.11 0.11 -0.04 1.89 2.12 2d7iA1 ILE 80 HG12 0.11 -0.00 -0.04 -0.04 1.49 1.52 2d7iA1 ILE 80 HG13 0.08 0.01 0.02 -0.04 1.21 1.28 2d7iA1 ILE 80 HG23 0.03 -0.00 -0.12 -0.04 0.93 0.80 2d7iA1 ILE 80 HD13 0.12 -0.02 -0.12 -0.04 0.88 0.81 2d7iA1 ARG 81 H 0.03 0.39 -0.26 -0.55 8.46 8.07 2d7iA1 ARG 81 HA 0.02 0.03 0.49 -0.75 4.34 4.13 2d7iA1 ARG 81 HB2 0.02 0.07 0.18 -0.04 1.90 2.13 2d7iA1 ARG 81 HB3 0.02 0.05 0.19 -0.04 1.80 2.02 2d7iA1 ARG 81 HG2 0.01 -0.01 -0.03 -0.04 1.67 1.60 2d7iA1 ARG 81 HG3 0.01 -0.01 0.03 -0.04 1.67 1.66 2d7iA1 ARG 81 HD2 0.01 -0.00 -0.01 -0.04 3.22 3.18 2d7iA1 ARG 81 HD3 0.01 -0.02 -0.01 -0.04 3.22 3.15 2d7iA1 ARG 82 H 0.02 0.68 0.10 -0.55 8.46 8.72 2d7iA1 ARG 82 HA 0.02 0.00 0.40 -0.75 4.34 4.00 2d7iA1 ARG 82 HB2 0.03 0.07 0.16 -0.04 1.90 2.11 2d7iA1 ARG 82 HB3 0.02 -0.02 0.01 -0.04 1.80 1.77 2d7iA1 ARG 82 HG2 0.02 -0.03 0.03 -0.04 1.67 1.64 2d7iA1 ARG 82 HG3 0.02 0.08 0.06 -0.04 1.67 1.79 2d7iA1 ARG 82 HD2 0.02 0.01 -0.01 -0.04 3.22 3.19 2d7iA1 ARG 82 HD3 0.02 -0.04 -0.02 -0.04 3.22 3.14 2d7iA1 ASP 83 H 0.02 0.74 -0.13 -0.55 8.40 8.50 2d7iA1 ASP 83 HA 0.02 0.02 0.45 -0.75 4.63 4.36 2d7iA1 ASP 83 HB2 0.02 0.11 0.15 -0.04 2.71 2.96 2d7iA1 ASP 83 HB3 0.01 -0.05 -0.00 -0.04 2.70 2.61 2d7iA1 ALA 84 H 0.02 0.42 -0.28 -0.55 8.40 8.02 2d7iA1 ALA 84 HA 0.01 0.00 0.48 -0.75 4.34 4.07 2d7iA1 ALA 84 HB3 0.01 0.01 0.17 -0.04 1.41 1.56 2d7iA1 GLN 85 H 0.01 0.36 -0.30 -0.55 8.47 7.99 2d7iA1 GLN 85 HA 0.01 0.04 0.54 -0.75 4.36 4.19 2d7iA1 GLN 85 HB2 0.01 0.07 0.10 -0.04 2.15 2.29 2d7iA1 GLN 85 HB3 0.01 -0.11 0.11 -0.04 2.02 1.99 2d7iA1 GLN 85 HG2 0.01 -0.06 -0.00 -0.04 2.40 2.30 2d7iA1 GLN 85 HG3 0.01 0.13 -0.01 -0.04 2.39 2.49 2d7iA1 GLN 85 HE21 0.01 -0.06 -0.04 -0.04 6.97 6.84 2d7iA1 GLN 85 HE22 0.01 -0.01 -0.03 -0.04 7.69 7.62 2d7iA1 ARG 86 H 0.01 0.28 -0.60 -0.55 8.46 7.60 2d7iA1 ARG 86 HA 0.01 -0.04 0.51 -0.75 4.34 4.07 2d7iA1 ARG 86 HB2 0.01 0.14 0.23 -0.04 1.90 2.24 2d7iA1 ARG 86 HB3 0.01 -0.10 0.04 -0.04 1.80 1.71 2d7iA1 ARG 86 HG2 0.02 -0.07 -0.05 -0.04 1.67 1.52 2d7iA1 ARG 86 HG3 0.02 -0.03 0.04 -0.04 1.67 1.66 2d7iA1 ARG 86 HD2 0.02 0.03 -0.04 -0.04 3.22 3.19 2d7iA1 ARG 86 HD3 0.02 -0.03 -0.04 -0.04 3.22 3.12 2d7iA1 VAL 87 H 0.01 0.16 0.22 -0.55 8.24 8.08 2d7iA1 VAL 87 HA 0.01 0.21 0.90 -0.75 4.13 4.49 2d7iA1 VAL 87 HB 0.00 -0.07 0.02 -0.04 2.12 2.03 2d7iA1 VAL 87 HG13 0.01 0.06 -0.24 -0.04 0.97 0.76 2d7iA1 VAL 87 HG23 0.01 -0.01 0.02 -0.04 0.95 0.92 2d7iA1 GLY 88 H 0.00 0.23 0.16 -0.55 8.43 8.27 2d7iA1 GLY 88 HA2 0.00 -0.01 0.35 -0.51 4.01 3.85 2d7iA1 GLY 88 HA3 0.01 0.19 0.72 -0.51 4.01 4.42 2d7iA1 ASN 89 H 0.01 0.13 0.17 -0.55 8.53 8.30 2d7iA1 ASN 89 HA -0.05 0.03 0.46 -0.75 4.76 4.44 2d7iA1 ASN 89 HB2 0.12 0.09 0.22 -0.04 2.88 3.27 2d7iA1 ASN 89 HB3 0.02 0.05 0.02 -0.04 2.79 2.83 2d7iA1 ASN 89 HD21 -0.05 -0.03 0.07 -0.04 7.03 6.98 2d7iA1 ASN 89 HD22 0.06 0.06 0.11 -0.04 7.74 7.93 2d7iA1 GLY 90 H 0.01 0.17 0.14 -0.55 8.43 8.20 2d7iA1 GLY 90 HA2 0.10 0.38 0.21 -0.51 4.01 4.18 2d7iA1 GLY 90 HA3 0.11 0.05 0.47 -0.51 4.01 4.13 2d7iA1 GLU 91 H 0.03 0.39 -0.39 -0.55 8.60 8.09 2d7iA1 GLU 91 HA 0.02 -0.02 0.38 -0.75 4.29 3.91 2d7iA1 GLU 91 HB2 0.01 0.01 0.04 -0.04 2.09 2.11 2d7iA1 GLU 91 HB3 0.01 0.12 -0.08 -0.04 1.99 2.00 2d7iA1 GLU 91 HG2 0.02 0.04 -0.38 -0.04 2.34 1.99 2d7iA1 GLU 91 HG3 0.01 -0.11 -0.57 -0.04 2.34 1.64 2d7iA1 GLN 92 H -0.00 0.09 0.04 -0.55 8.47 8.05 2d7iA1 GLN 92 HA -0.02 -0.04 -0.06 -0.75 4.36 3.49 2d7iA1 GLN 92 HB2 0.01 0.13 0.05 -0.04 2.15 2.30 2d7iA1 GLN 92 HB3 0.00 -0.06 0.11 -0.04 2.02 2.03 2d7iA1 GLN 92 HG2 0.01 -0.05 -0.39 -0.04 2.40 1.93 2d7iA1 GLN 92 HG3 0.00 -0.01 -0.06 -0.04 2.39 2.28 2d7iA1 GLN 92 HE21 0.00 0.50 0.22 -0.04 6.97 7.65 2d7iA1 GLN 92 HE22 0.01 0.16 0.03 -0.04 7.69 7.84 2d7iA1 GLY 93 H 0.02 0.39 -0.31 -0.55 8.43 7.98 2d7iA1 GLY 93 HA2 0.08 0.08 0.35 -0.51 4.01 4.01 2d7iA1 GLY 93 HA3 0.06 -0.01 0.55 -0.51 4.01 4.09 2d7iA1 ARG 94 H 0.04 0.34 -0.54 -0.55 8.46 7.75 2d7iA1 ARG 94 HA 0.05 0.00 0.36 -0.75 4.34 4.00 2d7iA1 ARG 94 HB2 0.02 0.02 -0.00 -0.04 1.90 1.91 2d7iA1 ARG 94 HB3 0.02 0.00 0.01 -0.04 1.80 1.79 2d7iA1 ARG 94 HG2 0.03 -0.05 0.03 -0.04 1.67 1.64 2d7iA1 ARG 94 HG3 0.02 0.09 -0.01 -0.04 1.67 1.74 2d7iA1 ARG 94 HD2 0.01 -0.05 -0.00 -0.04 3.22 3.13 2d7iA1 ARG 94 HD3 0.01 -0.05 0.00 -0.04 3.22 3.14 2d7iA1 PRO 95 HA 0.13 0.13 0.38 -0.51 4.44 4.57 2d7iA1 PRO 95 HB2 0.07 0.03 -0.00 -0.04 2.28 2.34 2d7iA1 PRO 95 HB3 0.07 -0.07 0.11 -0.04 2.02 2.08 2d7iA1 PRO 95 HG2 0.03 0.01 0.02 -0.04 2.03 2.05 2d7iA1 PRO 95 HG3 0.04 0.01 0.06 -0.04 2.03 2.09 2d7iA1 PRO 95 HD2 0.04 0.07 0.21 -0.04 3.68 3.95 2d7iA1 PRO 95 HD3 0.05 0.13 0.19 -0.04 3.65 3.98 2d7iA1 TYR 96 H 0.23 0.40 0.29 -0.55 8.29 8.67 2d7iA1 TYR 96 HA 0.03 0.10 0.50 -0.75 4.56 4.43 2d7iA1 TYR 96 HB2 0.03 0.15 0.00 -0.04 3.06 3.21 2d7iA1 TYR 96 HB3 0.05 -0.15 0.07 -0.04 2.98 2.92 2d7iA1 TYR 96 HD2 0.00 -0.04 -0.39 -0.04 7.15 6.68 2d7iA1 TYR 96 HE2 -0.01 0.03 -0.10 -0.04 6.85 6.74 2d7iA1 PRO 97 HA -0.09 0.06 0.41 -0.51 4.44 4.31 2d7iA1 PRO 97 HB2 -0.31 -0.04 0.20 -0.04 2.28 2.09 2d7iA1 PRO 97 HB3 -0.14 0.03 0.09 -0.04 2.02 1.96 2d7iA1 PRO 97 HG2 -0.29 -0.01 0.10 -0.04 2.03 1.79 2d7iA1 PRO 97 HG3 -0.19 0.09 0.07 -0.04 2.03 1.97 2d7iA1 PRO 97 HD2 -1.42 0.06 0.16 -0.04 3.68 2.44 2d7iA1 PRO 97 HD3 -0.38 0.20 0.27 -0.04 3.65 3.70 2d7iA1 MET 98 H 0.08 0.31 0.29 -0.55 8.47 8.60 2d7iA1 MET 98 HA 0.27 -0.03 0.29 -0.75 4.52 4.30 2d7iA1 MET 98 HB2 0.09 -0.02 0.06 -0.04 2.15 2.24 2d7iA1 MET 98 HB3 0.13 -0.03 -0.09 -0.04 2.03 1.99 2d7iA1 MET 98 HG2 0.16 0.27 0.11 -0.04 2.63 3.14 2d7iA1 MET 98 HG3 0.13 -0.05 -0.03 -0.04 2.56 2.56 2d7iA1 MET 98 HE3 0.16 -0.01 -0.16 -0.04 2.10 2.06 2d7iA1 THR 99 H 0.15 0.10 0.22 -0.55 8.28 8.21 2d7iA1 THR 99 HA 0.06 0.28 0.86 -0.75 4.39 4.85 2d7iA1 THR 99 HB 0.06 -0.01 0.16 -0.04 4.32 4.48 2d7iA1 THR 99 HG23 0.07 0.09 -0.11 -0.04 1.22 1.24 2d7iA1 ASP 100 H 0.05 0.24 0.13 -0.55 8.40 8.28 2d7iA1 ASP 100 HA 0.06 0.10 0.32 -0.75 4.63 4.36 2d7iA1 ASP 100 HB2 0.04 -0.00 0.07 -0.04 2.71 2.78 2d7iA1 ASP 100 HB3 0.05 0.04 0.04 -0.04 2.70 2.78 2d7iA1 ALA 101 H 0.07 0.04 -0.43 -0.55 8.40 7.53 2d7iA1 ALA 101 HA 0.09 0.09 0.41 -0.75 4.34 4.17 2d7iA1 ALA 101 HB3 0.06 0.02 0.04 -0.04 1.41 1.48 2d7iA1 GLU 102 H 0.12 0.16 -0.05 -0.55 8.60 8.28 2d7iA1 GLU 102 HA 0.21 0.04 0.51 -0.75 4.29 4.30 2d7iA1 GLU 102 HB2 0.12 -0.03 0.10 -0.04 2.09 2.24 2d7iA1 GLU 102 HB3 0.04 0.02 0.04 -0.04 1.99 2.06 2d7iA1 GLU 102 HG2 -0.12 0.09 -0.11 -0.04 2.34 2.16 2d7iA1 GLU 102 HG3 0.04 -0.04 -0.17 -0.04 2.34 2.13 2d7iA1 ARG 103 H 0.10 0.24 -0.46 -0.55 8.46 7.78 2d7iA1 ARG 103 HA 0.15 0.13 0.54 -0.75 4.34 4.40 2d7iA1 ARG 103 HB2 0.08 0.01 0.02 -0.04 1.90 1.97 2d7iA1 ARG 103 HB3 0.08 -0.01 0.10 -0.04 1.80 1.92 2d7iA1 ARG 103 HG2 0.11 0.01 -0.10 -0.04 1.67 1.65 2d7iA1 ARG 103 HG3 0.10 0.03 -0.20 -0.04 1.67 1.56 2d7iA1 ARG 103 HD2 0.07 -0.11 -0.36 -0.04 3.22 2.77 2d7iA1 ARG 103 HD3 0.06 0.02 -0.10 -0.04 3.22 3.15 2d7iA1 VAL 104 H 0.07 0.18 -0.48 -0.55 8.24 7.46 2d7iA1 VAL 104 HA 0.06 0.12 0.42 -0.75 4.13 3.97 2d7iA1 VAL 104 HB 0.05 -0.13 0.20 -0.04 2.12 2.20 2d7iA1 VAL 104 HG13 0.11 0.09 0.11 -0.04 0.97 1.24 2d7iA1 VAL 104 HG23 -0.05 -0.08 -0.06 -0.04 0.95 0.72 2d7iA1 ASP 105 H 0.04 0.15 0.19 -0.55 8.40 8.24 2d7iA1 ASP 105 HA 0.16 0.27 0.77 -0.75 4.63 5.08 2d7iA1 ASP 105 HB2 0.03 -0.01 0.11 -0.04 2.71 2.80 2d7iA1 ASP 105 HB3 0.03 0.01 0.11 -0.04 2.70 2.82 2d7iA1 GLN 106 H -0.01 0.10 -0.03 -0.55 8.47 7.98 2d7iA1 GLN 106 HA 0.01 0.15 0.65 -0.75 4.36 4.42 2d7iA1 GLN 106 HB2 0.04 -0.00 0.11 -0.04 2.15 2.26 2d7iA1 GLN 106 HB3 0.07 0.04 0.01 -0.04 2.02 2.10 2d7iA1 GLN 106 HG2 0.04 -0.02 0.02 -0.04 2.40 2.40 2d7iA1 GLN 106 HG3 0.06 0.05 0.04 -0.04 2.39 2.50 2d7iA1 GLN 106 HE21 0.03 0.03 0.05 -0.04 6.97 7.04 2d7iA1 GLN 106 HE22 0.06 -0.01 0.06 -0.04 7.69 7.75 2d7iA1 ALA 107 H -0.35 0.18 -0.40 -0.55 8.40 7.29 2d7iA1 ALA 107 HA -0.91 0.05 0.44 -0.75 4.34 3.17 2d7iA1 ALA 107 HB3 -0.95 0.02 0.09 -0.04 1.41 0.54 2d7iA1 TYR 108 H 0.04 0.16 -0.66 -0.55 8.29 7.28 2d7iA1 TYR 108 HA -0.19 0.31 0.88 -0.75 4.56 4.81 2d7iA1 TYR 108 HB2 0.05 0.12 -0.02 -0.04 3.06 3.16 2d7iA1 TYR 108 HB3 -0.18 -0.03 -0.11 -0.04 2.98 2.62 2d7iA1 TYR 108 HD2 -0.09 -0.02 -0.20 -0.04 7.15 6.80 2d7iA1 TYR 108 HE2 0.06 0.19 -0.05 -0.04 6.85 7.02 2d7iA1 ARG 109 H 0.08 0.17 0.00 -0.55 8.46 8.16 2d7iA1 ARG 109 HA 0.24 0.08 0.30 -0.75 4.34 4.21 2d7iA1 ARG 109 HB2 0.03 0.03 0.15 -0.04 1.90 2.06 2d7iA1 ARG 109 HB3 0.05 0.03 0.06 -0.04 1.80 1.90 2d7iA1 ARG 109 HG2 0.09 0.23 0.29 -0.04 1.67 2.23 2d7iA1 ARG 109 HG3 0.04 -0.08 0.10 -0.04 1.67 1.69 2d7iA1 ARG 109 HD2 0.07 0.02 0.07 -0.04 3.22 3.34 2d7iA1 ARG 109 HD3 0.03 0.01 0.03 -0.04 3.22 3.25 2d7iA1 GLU 110 H -0.07 0.05 -0.36 -0.55 8.60 7.68 2d7iA1 GLU 110 HA -0.01 0.19 0.68 -0.75 4.29 4.40 2d7iA1 GLU 110 HB2 -0.04 -0.02 0.07 -0.04 2.09 2.05 2d7iA1 GLU 110 HB3 -0.07 -0.01 -0.04 -0.04 1.99 1.82 2d7iA1 GLU 110 HG2 0.03 0.02 0.05 -0.04 2.34 2.40 2d7iA1 GLU 110 HG3 0.02 0.03 -0.01 -0.04 2.34 2.34 2d7iA1 ASN 111 H -0.31 0.17 0.09 -0.55 8.53 7.94 2d7iA1 ASN 111 HA -0.28 0.32 1.22 -0.75 4.76 5.26 2d7iA1 ASN 111 HB2 -1.28 0.06 0.14 -0.04 2.88 1.76 2d7iA1 ASN 111 HB3 -1.75 0.02 0.14 -0.04 2.79 1.16 2d7iA1 ASN 111 HD21 -0.11 -0.08 -0.03 -0.04 7.03 6.77 2d7iA1 ASN 111 HD22 -0.33 0.07 0.03 -0.04 7.74 7.46 2d7iA1 GLY 112 H -0.44 0.64 0.27 -0.55 8.43 8.36 2d7iA1 GLY 112 HA2 -1.09 0.00 0.38 -0.51 4.01 2.79 2d7iA1 GLY 112 HA3 -0.46 0.33 0.90 -0.51 4.01 4.27 2d7iA1 PHE 113 H -0.61 0.07 -0.11 -0.55 8.34 7.13 2d7iA1 PHE 113 HA 0.13 0.19 0.74 -0.75 4.62 4.93 2d7iA1 PHE 113 HB2 0.04 0.03 0.10 -0.04 3.15 3.28 2d7iA1 PHE 113 HB3 -0.04 0.09 -0.09 -0.04 3.06 2.98 2d7iA1 PHE 113 HD2 -0.03 0.05 -0.38 -0.04 7.28 6.88 2d7iA1 PHE 113 HE2 -0.09 -0.04 -0.06 -0.04 7.38 7.16 2d7iA1 PHE 113 HZ 0.04 -0.09 -0.02 -0.04 7.32 7.22 2d7iA1 ASN 114 H 0.29 0.71 0.28 -0.55 8.53 9.26 2d7iA1 ASN 114 HA -0.68 0.21 0.57 -0.75 4.76 4.10 2d7iA1 ASN 114 HB2 -0.18 0.15 0.31 -0.04 2.88 3.12 2d7iA1 ASN 114 HB3 0.11 0.04 0.24 -0.04 2.79 3.15 2d7iA1 ASN 114 HD21 -0.05 0.25 0.14 -0.04 7.03 7.33 2d7iA1 ASN 114 HD22 0.08 0.03 0.10 -0.04 7.74 7.92 2d7iA1 ILE 115 H -0.23 0.72 0.52 -0.55 8.25 8.71 2d7iA1 ILE 115 HA 0.07 0.04 0.44 -0.75 4.18 3.98 2d7iA1 ILE 115 HB -0.11 0.09 0.19 -0.04 1.89 2.03 2d7iA1 ILE 115 HG12 -0.01 -0.02 0.05 -0.04 1.49 1.48 2d7iA1 ILE 115 HG13 0.02 0.01 0.05 -0.04 1.21 1.25 2d7iA1 ILE 115 HG23 0.06 0.02 -0.02 -0.04 0.93 0.94 2d7iA1 ILE 115 HD13 0.12 -0.03 0.04 -0.04 0.88 0.96 2d7iA1 TYR 116 H -0.07 0.15 -0.06 -0.55 8.29 7.76 2d7iA1 TYR 116 HA -0.14 0.09 0.45 -0.75 4.56 4.21 2d7iA1 TYR 116 HB2 -0.14 0.05 0.12 -0.04 3.06 3.04 2d7iA1 TYR 116 HB3 -0.12 0.03 -0.03 -0.04 2.98 2.82 2d7iA1 TYR 116 HD2 -0.07 0.01 -0.07 -0.04 7.15 6.98 2d7iA1 TYR 116 HE2 -0.04 0.03 -0.04 -0.04 6.85 6.76 2d7iA1 VAL 117 H -0.16 0.13 -0.25 -0.55 8.24 7.41 2d7iA1 VAL 117 HA -0.61 0.06 0.40 -0.75 4.13 3.23 2d7iA1 VAL 117 HB -0.33 0.15 0.03 -0.04 2.12 1.92 2d7iA1 VAL 117 HG13 -0.46 -0.00 -0.21 -0.04 0.97 0.26 2d7iA1 VAL 117 HG23 -0.10 0.04 0.05 -0.04 0.95 0.90 2d7iA1 SER 118 H -0.43 0.38 -0.11 -0.55 8.46 7.75 2d7iA1 SER 118 HA -0.89 0.13 0.27 -0.75 4.49 3.25 2d7iA1 SER 118 HB2 -0.31 0.08 -0.01 -0.04 3.95 3.68 2d7iA1 SER 118 HB3 -0.10 -0.04 0.12 -0.04 3.93 3.86 2d7iA1 ASP 119 H -0.16 0.45 -0.30 -0.55 8.40 7.84 2d7iA1 ASP 119 HA -0.07 -0.00 0.38 -0.75 4.63 4.18 2d7iA1 ASP 119 HB2 -0.11 0.12 0.09 -0.04 2.71 2.78 2d7iA1 ASP 119 HB3 -0.08 -0.04 0.03 -0.04 2.70 2.58 2d7iA1 LYS 120 H -0.25 0.26 -0.50 -0.55 8.42 7.38 2d7iA1 LYS 120 HA -0.06 0.06 0.56 -0.75 4.32 4.13 2d7iA1 LYS 120 HB2 -0.48 0.09 0.05 -0.04 1.87 1.48 2d7iA1 LYS 120 HB3 0.04 -0.08 0.14 -0.04 1.79 1.84 2d7iA1 LYS 120 HG2 -0.15 0.04 -0.00 -0.04 1.46 1.30 2d7iA1 LYS 120 HG3 -0.20 -0.08 0.00 -0.04 1.46 1.15 2d7iA1 LYS 120 HD2 0.05 -0.03 0.01 -0.04 1.69 1.68 2d7iA1 LYS 120 HD3 -0.03 0.03 -0.03 -0.04 1.68 1.61 2d7iA1 LYS 120 HE2 -0.03 -0.03 -0.02 -0.04 2.99 2.86 2d7iA1 LYS 120 HE3 -0.09 -0.01 -0.04 -0.04 2.99 2.81 2d7iA1 ILE 121 H -0.16 0.41 -0.52 -0.55 8.25 7.43 2d7iA1 ILE 121 HA 0.02 0.16 0.89 -0.75 4.18 4.50 2d7iA1 ILE 121 HB -0.18 0.05 0.01 -0.04 1.89 1.73 2d7iA1 ILE 121 HG12 0.12 0.04 -0.22 -0.04 1.49 1.38 2d7iA1 ILE 121 HG13 -0.24 0.15 -0.25 -0.04 1.21 0.83 2d7iA1 ILE 121 HG23 0.01 0.05 -0.18 -0.04 0.93 0.78 2d7iA1 ILE 121 HD13 -0.08 -0.02 -0.19 -0.04 0.88 0.55 2d7iA1 SER 122 H 0.01 0.17 0.07 -0.55 8.46 8.17 2d7iA1 SER 122 HA -0.02 0.05 0.36 -0.75 4.49 4.13 2d7iA1 SER 122 HB2 0.01 0.07 0.06 -0.04 3.95 4.06 2d7iA1 SER 122 HB3 0.01 0.02 0.05 -0.04 3.93 3.97 2d7iA1 LEU 123 H -0.07 0.13 0.15 -0.55 8.37 8.03 2d7iA1 LEU 123 HA -0.15 0.13 0.37 -0.75 4.35 3.94 2d7iA1 LEU 123 HB2 -0.29 -0.03 0.02 -0.04 1.64 1.30 2d7iA1 LEU 123 HB3 -0.68 0.05 -0.02 -0.04 1.64 0.95 2d7iA1 LEU 123 HG -0.13 0.02 0.06 -0.04 1.64 1.55 2d7iA1 LEU 123 HD13 -0.26 -0.01 -0.03 -0.04 0.93 0.58 2d7iA1 LEU 123 HD23 -0.26 -0.03 -0.04 -0.04 0.89 0.52 2d7iA1 ASN 124 H -0.00 -0.09 -0.61 -0.55 8.53 7.28 2d7iA1 ASN 124 HA 0.05 0.27 0.78 -0.75 4.76 5.11 2d7iA1 ASN 124 HB2 0.06 -0.07 -0.09 -0.04 2.88 2.74 2d7iA1 ASN 124 HB3 0.06 0.04 0.05 -0.04 2.79 2.90 2d7iA1 ASN 124 HD21 0.16 -0.00 -0.07 -0.04 7.03 7.07 2d7iA1 ASN 124 HD22 0.09 0.00 -0.05 -0.04 7.74 7.74 2d7iA1 ARG 125 H -0.01 0.47 -0.31 -0.55 8.46 8.06 2d7iA1 ARG 125 HA 0.01 -0.11 0.19 -0.75 4.34 3.67 2d7iA1 ARG 125 HB2 0.02 -0.01 -0.12 -0.04 1.90 1.75 2d7iA1 ARG 125 HB3 0.01 -0.00 0.02 -0.04 1.80 1.79 2d7iA1 ARG 125 HG2 0.02 0.05 -0.13 -0.04 1.67 1.57 2d7iA1 ARG 125 HG3 0.00 -0.03 -0.28 -0.04 1.67 1.32 2d7iA1 ARG 125 HD2 0.03 0.15 -0.20 -0.04 3.22 3.15 2d7iA1 ARG 125 HD3 0.06 0.01 -0.16 -0.04 3.22 3.10 2d7iA1 SER 126 H 0.00 -0.04 0.16 -0.55 8.46 8.03 2d7iA1 SER 126 HA -0.02 0.21 0.66 -0.75 4.49 4.58 2d7iA1 SER 126 HB2 -0.01 0.04 0.07 -0.04 3.95 4.00 2d7iA1 SER 126 HB3 0.00 0.06 0.17 -0.04 3.93 4.12 2d7iA1 LEU 127 H -0.08 0.21 0.14 -0.55 8.37 8.09 2d7iA1 LEU 127 HA -0.16 0.17 0.70 -0.75 4.35 4.31 2d7iA1 LEU 127 HB2 -0.29 -0.06 -0.07 -0.04 1.64 1.18 2d7iA1 LEU 127 HB3 -0.77 0.04 -0.06 -0.04 1.64 0.81 2d7iA1 LEU 127 HG -0.12 0.03 -0.38 -0.04 1.64 1.12 2d7iA1 LEU 127 HD13 -0.21 -0.01 -0.24 -0.04 0.93 0.43 2d7iA1 LEU 127 HD23 -0.11 0.04 -0.24 -0.04 0.89 0.54 2d7iA1 PRO 128 HA -0.03 0.05 0.45 -0.51 4.44 4.39 2d7iA1 PRO 128 HB2 0.02 -0.03 -0.05 -0.04 2.28 2.18 2d7iA1 PRO 128 HB3 0.01 0.17 0.11 -0.04 2.02 2.27 2d7iA1 PRO 128 HG2 0.01 -0.10 -0.02 -0.04 2.03 1.88 2d7iA1 PRO 128 HG3 0.10 0.15 0.06 -0.04 2.03 2.30 2d7iA1 PRO 128 HD2 -0.50 0.03 0.06 -0.04 3.68 3.22 2d7iA1 PRO 128 HD3 -0.07 0.30 -0.28 -0.04 3.65 3.56 2d7iA1 ASP 129 H 0.00 0.16 0.10 -0.55 8.40 8.12 2d7iA1 ASP 129 HA 0.02 0.13 0.72 -0.75 4.63 4.74 2d7iA1 ASP 129 HB2 0.03 0.03 0.11 -0.04 2.71 2.84 2d7iA1 ASP 129 HB3 0.03 0.00 0.24 -0.04 2.70 2.93 2d7iA1 ILE 130 H 0.08 0.32 -0.13 -0.55 8.25 7.96 2d7iA1 ILE 130 HA 0.06 0.20 0.65 -0.75 4.18 4.33 2d7iA1 ILE 130 HB 0.10 -0.01 0.13 -0.04 1.89 2.06 2d7iA1 ILE 130 HG12 0.24 0.08 -0.07 -0.04 1.49 1.69 2d7iA1 ILE 130 HG13 0.16 0.03 -0.21 -0.04 1.21 1.15 2d7iA1 ILE 130 HG23 0.10 -0.00 -0.14 -0.04 0.93 0.85 2d7iA1 ILE 130 HD13 0.19 -0.01 -0.07 -0.04 0.88 0.95 2d7iA1 ARG 131 H 0.09 0.02 -0.61 -0.55 8.46 7.40 2d7iA1 ARG 131 HA 0.13 0.13 0.37 -0.75 4.34 4.22 2d7iA1 ARG 131 HB2 0.11 -0.02 -0.11 -0.04 1.90 1.84 2d7iA1 ARG 131 HB3 0.15 -0.04 0.06 -0.04 1.80 1.93 2d7iA1 ARG 131 HG2 0.15 0.10 -0.07 -0.04 1.67 1.81 2d7iA1 ARG 131 HG3 0.12 -0.15 -0.07 -0.04 1.67 1.53 2d7iA1 ARG 131 HD2 0.18 0.02 -0.00 -0.04 3.22 3.37 2d7iA1 ARG 131 HD3 0.16 0.21 -0.02 -0.04 3.22 3.52 2d7iA1 HIS 132 H 0.21 0.15 0.08 -0.55 8.41 8.31 2d7iA1 HIS 132 HA 0.06 0.19 0.48 -0.75 4.63 4.60 2d7iA1 HIS 132 HB2 0.07 0.14 0.07 -0.04 3.26 3.50 2d7iA1 HIS 132 HB3 0.08 -0.14 0.05 -0.04 3.20 3.15 2d7iA1 HIS 132 HD2 0.04 0.07 -0.01 -0.04 6.97 7.03 2d7iA1 HIS 132 HE1 0.03 0.02 0.01 -0.04 7.75 7.76 2d7iA1 PRO 133 HA -0.04 0.11 0.33 -0.51 4.44 4.33 2d7iA1 PRO 133 HB2 -0.14 -0.01 0.01 -0.04 2.28 2.10 2d7iA1 PRO 133 HB3 -0.08 0.04 0.08 -0.04 2.02 2.02 2d7iA1 PRO 133 HG2 -0.25 0.03 0.08 -0.04 2.03 1.86 2d7iA1 PRO 133 HG3 -0.15 0.10 0.10 -0.04 2.03 2.04 2d7iA1 PRO 133 HD2 -1.59 0.05 0.17 -0.04 3.68 2.27 2d7iA1 PRO 133 HD3 -0.46 0.24 0.25 -0.04 3.65 3.65 2d7iA1 ASN 134 H 0.20 0.08 -0.44 -0.55 8.53 7.81 2d7iA1 ASN 134 HA 0.08 0.10 0.43 -0.75 4.76 4.62 2d7iA1 ASN 134 HB2 0.34 -0.02 -0.03 -0.04 2.88 3.12 2d7iA1 ASN 134 HB3 0.13 0.03 -0.04 -0.04 2.79 2.86 2d7iA1 ASN 134 HD21 0.15 0.05 0.00 -0.04 7.03 7.19 2d7iA1 ASN 134 HD22 0.12 -0.07 -0.02 -0.04 7.74 7.73 2d7iA1 CYS 135 H 0.17 0.49 -0.24 -0.55 8.50 8.37 2d7iA1 CYS 135 HA 0.17 0.02 0.36 -0.75 4.58 4.38 2d7iA1 CYS 135 HB2 0.16 0.17 0.06 -0.04 2.97 3.32 2d7iA1 CYS 135 HB3 0.21 0.10 0.01 -0.04 2.97 3.25 2d7iA1 ASN 136 H 0.07 0.24 -0.33 -0.55 8.53 7.96 2d7iA1 ASN 136 HA -0.08 0.06 0.34 -0.75 4.76 4.33 2d7iA1 ASN 136 HB2 -0.01 0.03 0.06 -0.04 2.88 2.91 2d7iA1 ASN 136 HB3 -0.06 0.03 -0.06 -0.04 2.79 2.66 2d7iA1 ASN 136 HD21 -0.06 -0.05 -0.01 -0.04 7.03 6.87 2d7iA1 ASN 136 HD22 -0.02 0.03 -0.01 -0.04 7.74 7.70 2d7iA1 SER 137 H 0.05 0.28 -0.43 -0.55 8.46 7.81 2d7iA1 SER 137 HA -0.00 0.06 0.59 -0.75 4.49 4.38 2d7iA1 SER 137 HB2 0.03 0.09 0.05 -0.04 3.95 4.08 2d7iA1 SER 137 HB3 0.01 -0.08 0.04 -0.04 3.93 3.86 2d7iA1 LYS 138 H 0.08 0.21 -0.08 -0.55 8.42 8.07 2d7iA1 LYS 138 HA -0.08 -0.06 0.37 -0.75 4.32 3.79 2d7iA1 LYS 138 HB2 0.12 0.19 0.15 -0.04 1.87 2.29 2d7iA1 LYS 138 HB3 -0.34 -0.00 -0.07 -0.04 1.79 1.34 2d7iA1 LYS 138 HG2 0.08 -0.00 -0.01 -0.04 1.46 1.49 2d7iA1 LYS 138 HG3 -0.09 -0.02 0.05 -0.04 1.46 1.36 2d7iA1 LYS 138 HD2 0.03 -0.03 -0.03 -0.04 1.69 1.61 2d7iA1 LYS 138 HD3 0.09 0.01 -0.20 -0.04 1.68 1.54 2d7iA1 LYS 138 HE2 0.02 0.01 -0.05 -0.04 2.99 2.93 2d7iA1 LYS 138 HE3 0.05 -0.08 -0.11 -0.04 2.99 2.81 2d7iA1 ARG 139 H -0.33 0.20 0.26 -0.55 8.46 8.04 2d7iA1 ARG 139 HA -0.02 0.12 0.87 -0.75 4.34 4.55 2d7iA1 ARG 139 HB2 -0.07 -0.09 0.03 -0.04 1.90 1.73 2d7iA1 ARG 139 HB3 -0.00 -0.01 0.03 -0.04 1.80 1.78 2d7iA1 ARG 139 HG2 0.04 0.19 -0.10 -0.04 1.67 1.77 2d7iA1 ARG 139 HG3 -0.01 0.06 -0.14 -0.04 1.67 1.54 2d7iA1 ARG 139 HD2 0.01 -0.13 -0.77 -0.04 3.22 2.29 2d7iA1 ARG 139 HD3 0.01 -0.01 -0.10 -0.04 3.22 3.08 2d7iA1 TYR 140 H 0.31 0.52 0.31 -0.55 8.29 8.88 2d7iA1 TYR 140 HA 0.10 0.17 0.88 -0.75 4.56 4.96 2d7iA1 TYR 140 HB2 0.17 0.03 -0.11 -0.04 3.06 3.11 2d7iA1 TYR 140 HB3 0.03 -0.02 0.02 -0.04 2.98 2.97 2d7iA1 TYR 140 HD2 0.09 -0.03 -0.12 -0.04 7.15 7.04 2d7iA1 TYR 140 HE2 0.03 0.07 -0.13 -0.04 6.85 6.78 2d7iA1 LEU 141 H 0.22 0.12 0.07 -0.55 8.37 8.23 2d7iA1 LEU 141 HA 0.14 0.04 0.26 -0.75 4.35 4.03 2d7iA1 LEU 141 HB2 0.12 -0.02 0.01 -0.04 1.64 1.71 2d7iA1 LEU 141 HB3 0.11 0.11 -0.03 -0.04 1.64 1.80 2d7iA1 LEU 141 HG 0.09 -0.07 0.06 -0.04 1.64 1.68 2d7iA1 LEU 141 HD13 0.04 0.02 0.01 -0.04 0.93 0.97 2d7iA1 LEU 141 HD23 0.06 0.00 -0.06 -0.04 0.89 0.85 2d7iA1 GLU 142 H 0.11 0.70 0.28 -0.55 8.60 9.15 2d7iA1 GLU 142 HA 0.08 -0.01 0.32 -0.75 4.29 3.93 2d7iA1 GLU 142 HB2 -0.01 0.16 -0.08 -0.04 2.09 2.11 2d7iA1 GLU 142 HB3 0.04 -0.03 0.11 -0.04 1.99 2.06 2d7iA1 GLU 142 HG2 -0.01 -0.02 -0.17 -0.04 2.34 2.10 2d7iA1 GLU 142 HG3 -0.14 -0.05 0.01 -0.04 2.34 2.11 2d7iA1 THR 143 H 0.12 0.10 -0.17 -0.55 8.28 7.78 2d7iA1 THR 143 HA 0.16 0.16 0.87 -0.75 4.39 4.82 2d7iA1 THR 143 HB 0.06 0.01 0.10 -0.04 4.32 4.45 2d7iA1 THR 143 HG23 0.04 0.00 -0.14 -0.04 1.22 1.08 2d7iA1 LEU 144 H 0.11 0.21 0.06 -0.55 8.37 8.21 2d7iA1 LEU 144 HA -0.01 0.20 0.81 -0.75 4.35 4.60 2d7iA1 LEU 144 HB2 -0.16 -0.04 -0.09 -0.04 1.64 1.31 2d7iA1 LEU 144 HB3 -0.17 0.09 -0.06 -0.04 1.64 1.46 2d7iA1 LEU 144 HG 0.08 0.10 -0.57 -0.04 1.64 1.21 2d7iA1 LEU 144 HD13 -0.53 -0.04 -0.12 -0.04 0.93 0.20 2d7iA1 LEU 144 HD23 -0.08 -0.04 -0.19 -0.04 0.89 0.54 2d7iA1 PRO 145 HA -0.03 0.02 0.60 -0.51 4.44 4.52 2d7iA1 PRO 145 HB2 -0.05 0.00 0.05 -0.04 2.28 2.25 2d7iA1 PRO 145 HB3 -0.03 0.02 0.10 -0.04 2.02 2.07 2d7iA1 PRO 145 HG2 -0.09 -0.00 0.06 -0.04 2.03 1.95 2d7iA1 PRO 145 HG3 -0.05 0.07 0.00 -0.04 2.03 2.01 2d7iA1 PRO 145 HD2 -0.08 0.09 0.13 -0.04 3.68 3.77 2d7iA1 PRO 145 HD3 -0.03 0.15 0.11 -0.04 3.65 3.83 2d7iA1 ASN 146 H -0.04 0.03 0.23 -0.55 8.53 8.20 2d7iA1 ASN 146 HA -0.10 0.27 0.57 -0.75 4.76 4.76 2d7iA1 ASN 146 HB2 -0.05 0.03 0.03 -0.04 2.88 2.84 2d7iA1 ASN 146 HB3 -0.03 0.10 0.13 -0.04 2.79 2.95 2d7iA1 ASN 146 HD21 -0.01 0.04 0.06 -0.04 7.03 7.08 2d7iA1 ASN 146 HD22 -0.01 0.08 0.09 -0.04 7.74 7.85 2d7iA1 THR 147 H -0.10 0.49 0.42 -0.55 8.28 8.55 2d7iA1 THR 147 HA -0.10 0.09 1.05 -0.75 4.39 4.67 2d7iA1 THR 147 HB -0.16 0.02 -0.15 -0.04 4.32 3.99 2d7iA1 THR 147 HG23 -0.18 0.05 -0.02 -0.04 1.22 1.03 2d7iA1 SER 148 H -0.12 0.59 0.29 -0.55 8.46 8.68 2d7iA1 SER 148 HA -0.07 0.20 0.99 -0.75 4.49 4.85 2d7iA1 SER 148 HB2 -0.13 0.06 0.18 -0.04 3.95 4.02 2d7iA1 SER 148 HB3 -0.10 0.10 0.02 -0.04 3.93 3.90 2d7iA1 ILE 149 H -0.07 0.61 0.34 -0.55 8.25 8.59 2d7iA1 ILE 149 HA -0.15 0.25 0.88 -0.75 4.18 4.41 2d7iA1 ILE 149 HB -0.01 -0.02 0.22 -0.04 1.89 2.03 2d7iA1 ILE 149 HG12 0.03 0.01 -0.10 -0.04 1.49 1.39 2d7iA1 ILE 149 HG13 -0.03 -0.01 -0.13 -0.04 1.21 1.00 2d7iA1 ILE 149 HG23 0.00 -0.01 -0.21 -0.04 0.93 0.68 2d7iA1 ILE 149 HD13 0.15 -0.00 -0.10 -0.04 0.88 0.89 2d7iA1 ILE 150 H -0.31 0.66 0.37 -0.55 8.25 8.42 2d7iA1 ILE 150 HA -0.08 0.22 1.07 -0.75 4.18 4.64 2d7iA1 ILE 150 HB -0.57 0.01 0.12 -0.04 1.89 1.40 2d7iA1 ILE 150 HG12 -0.21 -0.04 -0.31 -0.04 1.49 0.89 2d7iA1 ILE 150 HG13 -0.09 0.01 -0.11 -0.04 1.21 0.98 2d7iA1 ILE 150 HG23 0.07 -0.01 -0.17 -0.04 0.93 0.78 2d7iA1 ILE 150 HD13 -0.25 -0.02 -0.43 -0.04 0.88 0.13 2d7iA1 ILE 151 H 0.02 0.76 0.32 -0.55 8.25 8.80 2d7iA1 ILE 151 HA 0.03 0.40 1.13 -0.75 4.18 4.99 2d7iA1 ILE 151 HB 0.04 -0.09 0.09 -0.04 1.89 1.89 2d7iA1 ILE 151 HG12 -0.05 0.11 -0.23 -0.04 1.49 1.28 2d7iA1 ILE 151 HG13 -0.03 -0.07 -0.55 -0.04 1.21 0.52 2d7iA1 ILE 151 HG23 0.01 0.01 -0.27 -0.04 0.93 0.64 2d7iA1 ILE 151 HD13 -0.06 -0.02 -0.20 -0.04 0.88 0.56 2d7iA1 PRO 152 HA 0.03 0.23 0.78 -0.51 4.44 4.97 2d7iA1 PRO 152 HB2 0.00 -0.08 -0.01 -0.04 2.28 2.15 2d7iA1 PRO 152 HB3 0.03 0.05 -0.06 -0.04 2.02 2.00 2d7iA1 PRO 152 HG2 0.03 -0.10 0.12 -0.04 2.03 2.05 2d7iA1 PRO 152 HG3 0.02 0.04 0.04 -0.04 2.03 2.08 2d7iA1 PRO 152 HD2 0.05 0.39 0.36 -0.04 3.68 4.44 2d7iA1 PRO 152 HD3 0.12 0.16 -0.00 -0.04 3.65 3.89 2d7iA1 PHE 153 H -0.20 0.64 0.46 -0.55 8.34 8.68 2d7iA1 PHE 153 HA 0.05 0.09 0.68 -0.75 4.62 4.68 2d7iA1 PHE 153 HB2 0.04 -0.11 0.07 -0.04 3.15 3.12 2d7iA1 PHE 153 HB3 0.01 0.18 -0.34 -0.04 3.06 2.87 2d7iA1 PHE 153 HD2 0.01 -0.02 -0.24 -0.04 7.28 6.99 2d7iA1 PHE 153 HE2 -0.00 -0.01 -0.16 -0.04 7.38 7.17 2d7iA1 PHE 153 HZ 0.02 0.10 -0.05 -0.04 7.32 7.35 2d7iA1 HIS 154 H 0.30 0.29 0.09 -0.55 8.41 8.56 2d7iA1 HIS 154 HA -0.02 0.05 0.78 -0.75 4.63 4.69 2d7iA1 HIS 154 HB2 -0.12 0.04 -0.07 -0.04 3.26 3.07 2d7iA1 HIS 154 HB3 -0.16 -0.00 0.10 -0.04 3.20 3.10 2d7iA1 HIS 154 HD2 -0.18 -0.03 -0.03 -0.04 6.97 6.68 2d7iA1 HIS 154 HE1 0.06 0.08 0.02 -0.04 7.75 7.88 2d7iA1 ASN 155 H -0.10 0.09 0.13 -0.55 8.53 8.11 2d7iA1 ASN 155 HA -0.05 -0.06 0.37 -0.75 4.76 4.26 2d7iA1 ASN 155 HB2 -0.23 0.14 -0.19 -0.04 2.88 2.56 2d7iA1 ASN 155 HB3 -0.03 0.08 0.27 -0.04 2.79 3.07 2d7iA1 ASN 155 HD21 -0.10 -0.00 0.08 -0.04 7.03 6.96 2d7iA1 ASN 155 HD22 -0.05 0.10 0.04 -0.04 7.74 7.80 2d7iA1 GLU 156 H 0.24 -0.04 -0.31 -0.55 8.60 7.95 2d7iA1 GLU 156 HA 0.18 0.16 0.59 -0.75 4.29 4.47 2d7iA1 GLU 156 HB2 0.25 -0.17 0.01 -0.04 2.09 2.14 2d7iA1 GLU 156 HB3 0.02 0.08 -0.06 -0.04 1.99 1.99 2d7iA1 GLU 156 HG2 0.16 0.07 -0.05 -0.04 2.34 2.47 2d7iA1 GLU 156 HG3 0.24 -0.02 -0.02 -0.04 2.34 2.50 2d7iA1 GLY 157 H 0.17 0.13 0.11 -0.55 8.43 8.30 2d7iA1 GLY 157 HA2 0.12 0.06 0.37 -0.51 4.01 4.04 2d7iA1 GLY 157 HA3 0.10 -0.01 0.30 -0.51 4.01 3.89 2d7iA1 TRP 158 H -0.08 0.10 0.13 -0.55 7.97 7.58 2d7iA1 TRP 158 HA -0.08 0.17 0.39 -0.75 4.62 4.34 2d7iA1 TRP 158 HB2 -0.53 -0.01 0.08 -0.04 3.23 2.72 2d7iA1 TRP 158 HB3 -0.31 -0.06 0.15 -0.04 3.23 2.97 2d7iA1 TRP 158 HD1 -0.17 -0.02 -0.15 -0.04 7.22 6.84 2d7iA1 TRP 158 HE1 -0.19 0.05 -0.08 -0.04 10.20 9.94 2d7iA1 TRP 158 HE3 0.12 -0.05 -0.09 -0.04 7.59 7.52 2d7iA1 TRP 158 HZ2 -0.30 0.04 -0.06 -0.04 7.44 7.08 2d7iA1 TRP 158 HZ3 0.02 0.07 -0.13 -0.04 7.13 7.05 2d7iA1 TRP 158 HH2 0.01 0.10 -0.22 -0.04 7.19 7.05 2d7iA1 SER 159 H 0.10 0.06 -0.02 -0.55 8.46 8.06 2d7iA1 SER 159 HA -0.26 0.14 0.41 -0.75 4.49 4.02 2d7iA1 SER 159 HB2 -0.07 0.25 -0.14 -0.04 3.95 3.94 2d7iA1 SER 159 HB3 0.05 0.02 0.01 -0.04 3.93 3.97 2d7iA1 SER 160 H 0.06 -0.03 -0.25 -0.55 8.46 7.69 2d7iA1 SER 160 HA -0.00 0.15 0.31 -0.75 4.49 4.19 2d7iA1 SER 160 HB2 0.05 0.08 -0.01 -0.04 3.95 4.04 2d7iA1 SER 160 HB3 0.23 -0.01 -0.01 -0.04 3.93 4.10 2d7iA1 LEU 161 H -0.12 0.27 -0.45 -0.55 8.37 7.53 2d7iA1 LEU 161 HA -0.15 0.30 0.54 -0.75 4.35 4.29 2d7iA1 LEU 161 HB2 -0.20 -0.07 0.01 -0.04 1.64 1.35 2d7iA1 LEU 161 HB3 -0.33 0.08 0.10 -0.04 1.64 1.46 2d7iA1 LEU 161 HG -0.40 0.01 -0.26 -0.04 1.64 0.96 2d7iA1 LEU 161 HD13 -0.32 -0.01 0.00 -0.04 0.93 0.55 2d7iA1 LEU 161 HD23 -0.66 -0.03 -0.09 -0.04 0.89 0.06 2d7iA1 LEU 162 H -0.50 0.51 -0.03 -0.55 8.37 7.80 2d7iA1 LEU 162 HA -0.38 0.01 0.41 -0.75 4.35 3.64 2d7iA1 LEU 162 HB2 -0.80 0.10 0.19 -0.04 1.64 1.10 2d7iA1 LEU 162 HB3 -0.59 -0.01 -0.01 -0.04 1.64 0.99 2d7iA1 LEU 162 HG -0.66 0.01 0.02 -0.04 1.64 0.96 2d7iA1 LEU 162 HD13 -1.14 0.01 -0.04 -0.04 0.93 -0.28 2d7iA1 LEU 162 HD23 -1.59 -0.02 -0.04 -0.04 0.89 -0.80 2d7iA1 ARG 163 H -0.23 0.57 -0.28 -0.55 8.46 7.96 2d7iA1 ARG 163 HA -0.21 0.14 0.48 -0.75 4.34 4.00 2d7iA1 ARG 163 HB2 -0.13 -0.03 0.03 -0.04 1.90 1.73 2d7iA1 ARG 163 HB3 -0.08 0.04 0.02 -0.04 1.80 1.74 2d7iA1 ARG 163 HG2 -0.05 0.00 -0.14 -0.04 1.67 1.44 2d7iA1 ARG 163 HG3 -0.07 0.18 0.04 -0.04 1.67 1.78 2d7iA1 ARG 163 HD2 0.01 -0.00 -0.16 -0.04 3.22 3.03 2d7iA1 ARG 163 HD3 -0.04 0.15 -0.11 -0.04 3.22 3.18 2d7iA1 THR 164 H -0.15 0.37 -0.24 -0.55 8.28 7.72 2d7iA1 THR 164 HA -0.13 0.22 0.40 -0.75 4.39 4.13 2d7iA1 THR 164 HB -0.14 0.11 0.17 -0.04 4.32 4.42 2d7iA1 THR 164 HG23 -0.14 -0.02 -0.20 -0.04 1.22 0.81 2d7iA1 VAL 165 H -0.14 0.46 -0.09 -0.55 8.24 7.93 2d7iA1 VAL 165 HA -0.09 0.00 0.28 -0.75 4.13 3.57 2d7iA1 VAL 165 HB -0.11 0.07 0.08 -0.04 2.12 2.11 2d7iA1 VAL 165 HG13 -0.15 -0.01 -0.08 -0.04 0.97 0.69 2d7iA1 VAL 165 HG23 -0.13 0.05 -0.01 -0.04 0.95 0.81 2d7iA1 HIS 166 H 0.04 0.63 -0.19 -0.55 8.41 8.35 2d7iA1 HIS 166 HA -0.17 -0.04 0.39 -0.75 4.63 4.06 2d7iA1 HIS 166 HB2 -0.11 0.23 0.23 -0.04 3.26 3.57 2d7iA1 HIS 166 HB3 -0.07 -0.04 -0.03 -0.04 3.20 3.02 2d7iA1 HIS 166 HD2 -0.22 0.02 0.03 -0.04 6.97 6.75 2d7iA1 HIS 166 HE1 0.14 -0.06 -0.06 -0.04 7.75 7.72 2d7iA1 SER 167 H -0.02 0.67 -0.11 -0.55 8.46 8.45 2d7iA1 SER 167 HA -0.02 0.02 0.32 -0.75 4.49 4.05 2d7iA1 SER 167 HB2 -0.13 0.04 0.09 -0.04 3.95 3.90 2d7iA1 SER 167 HB3 -0.08 0.17 0.17 -0.04 3.93 4.15 2d7iA1 VAL 168 H -0.08 0.45 -0.38 -0.55 8.24 7.68 2d7iA1 VAL 168 HA 0.06 -0.01 0.35 -0.75 4.13 3.78 2d7iA1 VAL 168 HB -0.03 0.12 0.08 -0.04 2.12 2.25 2d7iA1 VAL 168 HG13 0.14 -0.02 -0.16 -0.04 0.97 0.89 2d7iA1 VAL 168 HG23 -0.12 0.04 -0.09 -0.04 0.95 0.73 2d7iA1 LEU 169 H -0.06 0.60 -0.03 -0.55 8.37 8.34 2d7iA1 LEU 169 HA -0.00 0.02 0.43 -0.75 4.35 4.05 2d7iA1 LEU 169 HB2 -0.19 0.07 0.21 -0.04 1.64 1.69 2d7iA1 LEU 169 HB3 -0.09 -0.07 0.03 -0.04 1.64 1.47 2d7iA1 LEU 169 HG -0.15 0.15 0.04 -0.04 1.64 1.64 2d7iA1 LEU 169 HD13 -0.53 -0.03 -0.07 -0.04 0.93 0.26 2d7iA1 LEU 169 HD23 -0.02 -0.02 -0.03 -0.04 0.89 0.77 2d7iA1 ASN 170 H -0.01 0.81 -0.03 -0.55 8.53 8.76 2d7iA1 ASN 170 HA 0.03 0.08 0.61 -0.75 4.76 4.71 2d7iA1 ASN 170 HB2 0.02 0.10 -0.01 -0.04 2.88 2.95 2d7iA1 ASN 170 HB3 0.03 -0.10 0.07 -0.04 2.79 2.76 2d7iA1 ASN 170 HD21 0.02 -0.09 -0.05 -0.04 7.03 6.87 2d7iA1 ASN 170 HD22 0.05 0.04 -0.06 -0.04 7.74 7.72 2d7iA1 ARG 171 H 0.09 0.37 -0.34 -0.55 8.46 8.02 2d7iA1 ARG 171 HA 0.11 0.10 0.95 -0.75 4.34 4.75 2d7iA1 ARG 171 HB2 0.13 0.16 0.02 -0.04 1.90 2.17 2d7iA1 ARG 171 HB3 0.19 -0.17 0.07 -0.04 1.80 1.84 2d7iA1 ARG 171 HG2 0.05 0.01 -0.54 -0.04 1.67 1.15 2d7iA1 ARG 171 HG3 0.02 0.11 -0.07 -0.04 1.67 1.68 2d7iA1 ARG 171 HD2 -0.01 0.28 -0.16 -0.04 3.22 3.29 2d7iA1 ARG 171 HD3 0.05 -0.19 -0.17 -0.04 3.22 2.87 2d7iA1 SER 172 H 0.12 0.36 -0.18 -0.55 8.46 8.22 2d7iA1 SER 172 HA 0.01 0.07 0.94 -0.75 4.49 4.75 2d7iA1 SER 172 HB2 0.11 0.23 0.10 -0.04 3.95 4.35 2d7iA1 SER 172 HB3 0.00 -0.06 -0.08 -0.04 3.93 3.75 2d7iA1 PRO 173 HA 0.09 0.12 0.46 -0.51 4.44 4.60 2d7iA1 PRO 173 HB2 -0.06 -0.10 0.14 -0.04 2.28 2.21 2d7iA1 PRO 173 HB3 0.34 0.04 0.09 -0.04 2.02 2.46 2d7iA1 PRO 173 HG2 -0.27 0.03 0.08 -0.04 2.03 1.83 2d7iA1 PRO 173 HG3 0.12 0.10 0.06 -0.04 2.03 2.27 2d7iA1 PRO 173 HD2 -0.29 0.05 0.15 -0.04 3.68 3.55 2d7iA1 PRO 173 HD3 -0.15 0.18 0.22 -0.04 3.65 3.86 2d7iA1 PRO 174 HA 0.02 0.12 0.41 -0.51 4.44 4.47 2d7iA1 PRO 174 HB2 0.03 0.02 0.02 -0.04 2.28 2.32 2d7iA1 PRO 174 HB3 0.03 0.08 0.17 -0.04 2.02 2.27 2d7iA1 PRO 174 HG2 0.06 -0.11 0.12 -0.04 2.03 2.06 2d7iA1 PRO 174 HG3 0.04 0.04 0.12 -0.04 2.03 2.20 2d7iA1 PRO 174 HD2 0.08 -0.00 0.27 -0.04 3.68 3.99 2d7iA1 PRO 174 HD3 0.05 0.31 0.30 -0.04 3.65 4.27 2d7iA1 GLU 175 H 0.07 0.06 -0.23 -0.55 8.60 7.96 2d7iA1 GLU 175 HA 0.03 0.08 0.36 -0.75 4.29 4.00 2d7iA1 GLU 175 HB2 0.09 0.03 0.00 -0.04 2.09 2.18 2d7iA1 GLU 175 HB3 0.08 -0.03 0.07 -0.04 1.99 2.08 2d7iA1 GLU 175 HG2 0.19 -0.09 -0.03 -0.04 2.34 2.37 2d7iA1 GLU 175 HG3 0.18 0.04 -0.10 -0.04 2.34 2.42 2d7iA1 LEU 176 H -0.03 0.34 -0.32 -0.55 8.37 7.82 2d7iA1 LEU 176 HA -0.09 0.08 0.50 -0.75 4.35 4.08 2d7iA1 LEU 176 HB2 -0.25 0.13 0.02 -0.04 1.64 1.50 2d7iA1 LEU 176 HB3 -0.30 -0.04 0.02 -0.04 1.64 1.28 2d7iA1 LEU 176 HG -0.22 -0.08 -0.06 -0.04 1.64 1.23 2d7iA1 LEU 176 HD13 -1.16 -0.01 -0.03 -0.04 0.93 -0.31 2d7iA1 LEU 176 HD23 -0.31 0.03 -0.15 -0.04 0.89 0.43 2d7iA1 VAL 177 H -0.04 0.47 -0.35 -0.55 8.24 7.77 2d7iA1 VAL 177 HA -0.08 0.08 0.96 -0.75 4.13 4.34 2d7iA1 VAL 177 HB -0.01 0.07 0.10 -0.04 2.12 2.24 2d7iA1 VAL 177 HG13 -0.01 -0.01 -0.23 -0.04 0.97 0.68 2d7iA1 VAL 177 HG23 -0.04 0.02 -0.21 -0.04 0.95 0.69 2d7iA1 ALA 178 H -0.05 0.32 0.28 -0.55 8.40 8.39 2d7iA1 ALA 178 HA -0.02 0.12 0.48 -0.75 4.34 4.17 2d7iA1 ALA 178 HB3 -0.03 -0.04 -0.05 -0.04 1.41 1.25 2d7iA1 GLU 179 H -0.03 0.27 0.16 -0.55 8.60 8.45 2d7iA1 GLU 179 HA -0.00 0.19 0.48 -0.75 4.29 4.20 2d7iA1 GLU 179 HB2 0.00 0.11 0.04 -0.04 2.09 2.20 2d7iA1 GLU 179 HB3 -0.01 0.17 -0.24 -0.04 1.99 1.87 2d7iA1 GLU 179 HG2 -0.03 -0.18 -0.01 -0.04 2.34 2.08 2d7iA1 GLU 179 HG3 -0.02 0.02 -0.34 -0.04 2.34 1.96 2d7iA1 ILE 180 H 0.00 0.84 0.31 -0.55 8.25 8.86 2d7iA1 ILE 180 HA -0.02 0.17 1.01 -0.75 4.18 4.59 2d7iA1 ILE 180 HB 0.00 -0.02 0.13 -0.04 1.89 1.96 2d7iA1 ILE 180 HG12 0.00 0.01 -0.09 -0.04 1.49 1.37 2d7iA1 ILE 180 HG13 0.00 -0.04 -0.22 -0.04 1.21 0.91 2d7iA1 ILE 180 HG23 -0.02 -0.01 -0.13 -0.04 0.93 0.73 2d7iA1 ILE 180 HD13 -0.02 -0.00 -0.13 -0.04 0.88 0.69 2d7iA1 VAL 181 H -0.02 0.78 0.28 -0.55 8.24 8.72 2d7iA1 VAL 181 HA 0.03 0.32 1.18 -0.75 4.13 4.90 2d7iA1 VAL 181 HB -0.01 -0.07 0.06 -0.04 2.12 2.06 2d7iA1 VAL 181 HG13 0.03 -0.00 -0.24 -0.04 0.97 0.72 2d7iA1 VAL 181 HG23 -0.01 0.02 -0.27 -0.04 0.95 0.65 2d7iA1 LEU 182 H 0.07 0.71 0.39 -0.55 8.37 8.99 2d7iA1 LEU 182 HA 0.15 0.24 0.81 -0.75 4.35 4.79 2d7iA1 LEU 182 HB2 0.22 -0.10 0.16 -0.04 1.64 1.89 2d7iA1 LEU 182 HB3 0.28 -0.03 0.04 -0.04 1.64 1.89 2d7iA1 LEU 182 HG 0.05 0.12 0.02 -0.04 1.64 1.78 2d7iA1 LEU 182 HD13 -0.03 -0.02 -0.08 -0.04 0.93 0.76 2d7iA1 LEU 182 HD23 -0.00 -0.01 -0.18 -0.04 0.89 0.66 2d7iA1 VAL 183 H 0.13 0.68 0.24 -0.55 8.24 8.75 2d7iA1 VAL 183 HA -0.01 0.32 1.09 -0.75 4.13 4.78 2d7iA1 VAL 183 HB -0.00 -0.11 0.08 -0.04 2.12 2.04 2d7iA1 VAL 183 HG13 -0.01 0.02 -0.12 -0.04 0.97 0.82 2d7iA1 VAL 183 HG23 0.04 0.04 -0.23 -0.04 0.95 0.76 2d7iA1 ASP 184 H -0.17 0.71 0.35 -0.55 8.40 8.74 2d7iA1 ASP 184 HA -1.59 0.09 0.69 -0.75 4.63 3.06 2d7iA1 ASP 184 HB2 -0.17 0.08 0.08 -0.04 2.71 2.66 2d7iA1 ASP 184 HB3 -0.12 0.04 0.26 -0.04 2.70 2.84 2d7iA1 ASP 185 H -0.38 0.86 0.44 -0.55 8.40 8.77 2d7iA1 ASP 185 HA -0.03 0.14 0.87 -0.75 4.63 4.86 2d7iA1 ASP 185 HB2 -0.08 0.07 0.06 -0.04 2.71 2.71 2d7iA1 ASP 185 HB3 -0.00 0.01 0.20 -0.04 2.70 2.86 2d7iA1 PHE 186 H 0.12 0.36 -0.07 -0.55 8.34 8.20 2d7iA1 PHE 186 HA -0.01 0.15 0.19 -0.75 4.62 4.20 2d7iA1 PHE 186 HB2 -0.00 0.06 -0.73 -0.04 3.15 2.45 2d7iA1 PHE 186 HB3 0.06 0.03 -0.05 -0.04 3.06 3.05 2d7iA1 PHE 186 HD2 0.02 0.06 -0.16 -0.04 7.28 7.16 2d7iA1 PHE 186 HE2 0.01 0.08 -0.01 -0.04 7.38 7.42 2d7iA1 PHE 186 HZ 0.01 -0.00 0.03 -0.04 7.32 7.32 2d7iA1 SER 187 H -0.06 0.04 -0.25 -0.55 8.46 7.65 2d7iA1 SER 187 HA -0.19 0.03 0.48 -0.75 4.49 4.06 2d7iA1 SER 187 HB2 0.00 0.14 0.04 -0.04 3.95 4.10 2d7iA1 SER 187 HB3 -0.05 -0.07 0.05 -0.04 3.93 3.82 2d7iA1 ASP 188 H -0.16 0.04 0.23 -0.55 8.40 7.97 2d7iA1 ASP 188 HA -0.16 0.28 0.84 -0.75 4.63 4.83 2d7iA1 ASP 188 HB2 -0.08 0.00 0.11 -0.04 2.71 2.71 2d7iA1 ASP 188 HB3 -0.10 0.10 0.03 -0.04 2.70 2.68 2d7iA1 ARG 189 H -0.13 -0.05 0.05 -0.55 8.46 7.78 2d7iA1 ARG 189 HA -0.07 0.10 0.54 -0.75 4.34 4.16 2d7iA1 ARG 189 HB2 -0.30 -0.03 0.08 -0.04 1.90 1.61 2d7iA1 ARG 189 HB3 -0.31 -0.04 0.01 -0.04 1.80 1.42 2d7iA1 ARG 189 HG2 -0.07 -0.08 0.10 -0.04 1.67 1.58 2d7iA1 ARG 189 HG3 -0.00 0.09 0.02 -0.04 1.67 1.73 2d7iA1 ARG 189 HD2 0.14 0.01 -0.00 -0.04 3.22 3.33 2d7iA1 ARG 189 HD3 0.03 -0.03 0.04 -0.04 3.22 3.22 2d7iA1 GLU 190 H -0.05 0.18 0.19 -0.55 8.60 8.38 2d7iA1 GLU 190 HA -0.05 0.16 0.36 -0.75 4.29 4.00 2d7iA1 GLU 190 HB2 -0.00 -0.03 0.13 -0.04 2.09 2.15 2d7iA1 GLU 190 HB3 -0.02 0.01 0.04 -0.04 1.99 1.99 2d7iA1 GLU 190 HG2 -0.03 0.04 0.13 -0.04 2.34 2.44 2d7iA1 GLU 190 HG3 -0.02 0.02 0.06 -0.04 2.34 2.36 2d7iA1 HIS 191 H -0.05 0.10 -0.14 -0.55 8.41 7.77 2d7iA1 HIS 191 HA -0.04 0.09 0.37 -0.75 4.63 4.30 2d7iA1 HIS 191 HB2 0.01 0.05 0.06 -0.04 3.26 3.35 2d7iA1 HIS 191 HB3 -0.12 0.01 0.08 -0.04 3.20 3.13 2d7iA1 HIS 191 HD2 0.01 -0.01 0.01 -0.04 6.97 6.93 2d7iA1 HIS 191 HE1 0.10 0.57 -0.05 -0.04 7.75 8.33 2d7iA1 LEU 192 H -0.27 0.25 -0.72 -0.55 8.37 7.08 2d7iA1 LEU 192 HA 0.14 0.14 0.53 -0.75 4.35 4.40 2d7iA1 LEU 192 HB2 -0.13 0.14 -0.01 -0.04 1.64 1.60 2d7iA1 LEU 192 HB3 0.15 0.01 0.05 -0.04 1.64 1.81 2d7iA1 LEU 192 HG 0.29 -0.02 -0.03 -0.04 1.64 1.84 2d7iA1 LEU 192 HD13 0.04 0.01 -0.21 -0.04 0.93 0.73 2d7iA1 LEU 192 HD23 -0.09 -0.05 -0.02 -0.04 0.89 0.69 2d7iA1 LYS 193 H 0.05 0.40 -0.49 -0.55 8.42 7.83 2d7iA1 LYS 193 HA 0.07 0.25 0.85 -0.75 4.32 4.73 2d7iA1 LYS 193 HB2 0.02 -0.06 0.24 -0.04 1.87 2.02 2d7iA1 LYS 193 HB3 0.02 0.02 0.10 -0.04 1.79 1.90 2d7iA1 LYS 193 HG2 -0.01 0.05 -0.33 -0.04 1.46 1.12 2d7iA1 LYS 193 HG3 -0.03 0.02 -0.06 -0.04 1.46 1.34 2d7iA1 LYS 193 HD2 -0.03 -0.05 -0.02 -0.04 1.69 1.55 2d7iA1 LYS 193 HD3 -0.03 0.02 -0.05 -0.04 1.68 1.58 2d7iA1 LYS 193 HE2 -0.09 0.11 -0.22 -0.04 2.99 2.75 2d7iA1 LYS 193 HE3 -0.07 -0.04 -0.36 -0.04 2.99 2.48 2d7iA1 LYS 194 H 0.04 0.15 0.12 -0.55 8.42 8.17 2d7iA1 LYS 194 HA 0.07 0.08 0.36 -0.75 4.32 4.07 2d7iA1 LYS 194 HB2 0.03 -0.01 0.18 -0.04 1.87 2.02 2d7iA1 LYS 194 HB3 0.04 0.04 0.01 -0.04 1.79 1.84 2d7iA1 LYS 194 HG2 0.03 0.01 0.05 -0.04 1.46 1.51 2d7iA1 LYS 194 HG3 0.02 0.01 0.02 -0.04 1.46 1.48 2d7iA1 LYS 194 HD2 0.04 0.00 -0.05 -0.04 1.69 1.65 2d7iA1 LYS 194 HD3 0.06 -0.03 0.06 -0.04 1.68 1.72 2d7iA1 LYS 194 HE2 0.03 0.01 -0.00 -0.04 2.99 2.99 2d7iA1 LYS 194 HE3 0.02 -0.00 -0.01 -0.04 2.99 2.97 2d7iA1 PRO 195 HA 0.12 0.04 0.36 -0.51 4.44 4.45 2d7iA1 PRO 195 HB2 0.08 0.20 0.11 -0.04 2.28 2.63 2d7iA1 PRO 195 HB3 -0.18 0.02 0.06 -0.04 2.02 1.89 2d7iA1 PRO 195 HG2 -0.04 -0.02 0.00 -0.04 2.03 1.93 2d7iA1 PRO 195 HG3 -0.03 0.03 0.04 -0.04 2.03 2.03 2d7iA1 PRO 195 HD2 0.07 0.09 -0.13 -0.04 3.68 3.67 2d7iA1 PRO 195 HD3 0.03 0.03 0.13 -0.04 3.65 3.79 2d7iA1 LEU 196 H 0.32 0.23 -0.33 -0.55 8.37 8.04 2d7iA1 LEU 196 HA 0.39 -0.01 0.34 -0.75 4.35 4.32 2d7iA1 LEU 196 HB2 0.27 0.06 0.11 -0.04 1.64 2.03 2d7iA1 LEU 196 HB3 0.18 0.17 -0.14 -0.04 1.64 1.81 2d7iA1 LEU 196 HG 0.07 0.01 -0.19 -0.04 1.64 1.48 2d7iA1 LEU 196 HD13 -0.24 -0.02 -0.02 -0.04 0.93 0.61 2d7iA1 LEU 196 HD23 -0.03 0.00 -0.05 -0.04 0.89 0.78 2d7iA1 GLU 197 H 0.16 0.54 -0.21 -0.55 8.60 8.54 2d7iA1 GLU 197 HA 0.13 0.02 0.37 -0.75 4.29 4.05 2d7iA1 GLU 197 HB2 0.10 0.04 0.16 -0.04 2.09 2.35 2d7iA1 GLU 197 HB3 0.08 -0.03 -0.00 -0.04 1.99 2.00 2d7iA1 GLU 197 HG2 0.09 -0.02 -0.02 -0.04 2.34 2.35 2d7iA1 GLU 197 HG3 0.11 0.19 -0.01 -0.04 2.34 2.59 2d7iA1 ASP 198 H 0.15 0.64 -0.00 -0.55 8.40 8.64 2d7iA1 ASP 198 HA 0.08 0.03 0.39 -0.75 4.63 4.37 2d7iA1 ASP 198 HB2 0.15 0.05 0.10 -0.04 2.71 2.96 2d7iA1 ASP 198 HB3 0.08 -0.03 -0.00 -0.04 2.70 2.71 2d7iA1 TYR 199 H 0.37 0.59 -0.15 -0.55 8.29 8.55 2d7iA1 TYR 199 HA 0.18 0.01 0.44 -0.75 4.56 4.44 2d7iA1 TYR 199 HB2 0.45 -0.02 0.08 -0.04 3.06 3.52 2d7iA1 TYR 199 HB3 0.23 0.09 0.12 -0.04 2.98 3.38 2d7iA1 TYR 199 HD2 0.26 0.01 -0.19 -0.04 7.15 7.20 2d7iA1 TYR 199 HE2 0.19 -0.01 -0.05 -0.04 6.85 6.94 2d7iA1 MET 200 H 0.29 0.73 -0.02 -0.55 8.47 8.92 2d7iA1 MET 200 HA 0.41 0.03 0.50 -0.75 4.52 4.70 2d7iA1 MET 200 HB2 0.15 0.06 0.04 -0.04 2.15 2.36 2d7iA1 MET 200 HB3 0.15 0.01 -0.04 -0.04 2.03 2.10 2d7iA1 MET 200 HG2 0.14 0.08 0.02 -0.04 2.63 2.82 2d7iA1 MET 200 HG3 0.07 -0.07 -0.08 -0.04 2.56 2.44 2d7iA1 MET 200 HE3 -0.17 -0.02 -0.07 -0.04 2.10 1.80 2d7iA1 ALA 201 H 0.10 0.43 -0.35 -0.55 8.40 8.03 2d7iA1 ALA 201 HA 0.04 0.08 0.38 -0.75 4.34 4.08 2d7iA1 ALA 201 HB3 0.02 0.01 0.09 -0.04 1.41 1.49 2d7iA1 LEU 202 H -0.10 0.33 -0.61 -0.55 8.37 7.44 2d7iA1 LEU 202 HA -0.23 0.05 0.53 -0.75 4.35 3.94 2d7iA1 LEU 202 HB2 -0.72 0.18 0.07 -0.04 1.64 1.13 2d7iA1 LEU 202 HB3 -0.59 -0.10 0.13 -0.04 1.64 1.05 2d7iA1 LEU 202 HG -0.17 0.22 0.07 -0.04 1.64 1.72 2d7iA1 LEU 202 HD13 -0.27 -0.04 0.03 -0.04 0.93 0.61 2d7iA1 LEU 202 HD23 -0.14 -0.03 -0.03 -0.04 0.89 0.65 2d7iA1 PHE 203 H 0.02 0.60 -0.48 -0.55 8.34 7.92 2d7iA1 PHE 203 HA -0.04 0.12 0.85 -0.75 4.62 4.80 2d7iA1 PHE 203 HB2 -0.02 0.07 0.21 -0.04 3.15 3.37 2d7iA1 PHE 203 HB3 -0.03 -0.08 0.07 -0.04 3.06 2.98 2d7iA1 PHE 203 HD2 -0.07 0.03 0.02 -0.04 7.28 7.21 2d7iA1 PHE 203 HE2 -0.41 -0.02 -0.04 -0.04 7.38 6.87 2d7iA1 PHE 203 HZ -0.14 -0.06 -0.05 -0.04 7.32 7.03 2d7iA1 PRO 204 HA 0.03 0.12 0.43 -0.51 4.44 4.51 2d7iA1 PRO 204 HB2 0.02 -0.02 0.07 -0.04 2.28 2.32 2d7iA1 PRO 204 HB3 0.01 0.01 0.08 -0.04 2.02 2.08 2d7iA1 PRO 204 HG2 -0.01 -0.00 0.07 -0.04 2.03 2.05 2d7iA1 PRO 204 HG3 -0.03 0.07 0.04 -0.04 2.03 2.07 2d7iA1 PRO 204 HD2 0.04 0.04 0.20 -0.04 3.68 3.92 2d7iA1 PRO 204 HD3 -0.08 0.35 -0.01 -0.04 3.65 3.87 2d7iA1 SER 205 H 0.07 0.06 -0.14 -0.55 8.46 7.90 2d7iA1 SER 205 HA 0.03 0.13 0.47 -0.75 4.49 4.37 2d7iA1 SER 205 HB2 0.02 -0.03 0.04 -0.04 3.95 3.93 2d7iA1 SER 205 HB3 0.03 0.02 0.07 -0.04 3.93 4.01 2d7iA1 VAL 206 H 0.09 0.39 -0.40 -0.55 8.24 7.78 2d7iA1 VAL 206 HA 0.03 0.17 0.92 -0.75 4.13 4.50 2d7iA1 VAL 206 HB 0.13 0.25 0.16 -0.04 2.12 2.62 2d7iA1 VAL 206 HG13 0.05 -0.04 -0.10 -0.04 0.97 0.84 2d7iA1 VAL 206 HG23 0.01 -0.05 -0.04 -0.04 0.95 0.82 2d7iA1 ARG 207 H 0.04 0.51 0.42 -0.55 8.46 8.88 2d7iA1 ARG 207 HA 0.06 0.11 0.80 -0.75 4.34 4.56 2d7iA1 ARG 207 HB2 0.03 0.13 -0.21 -0.04 1.90 1.81 2d7iA1 ARG 207 HB3 0.03 -0.00 0.02 -0.04 1.80 1.81 2d7iA1 ARG 207 HG2 0.04 -0.01 -0.29 -0.04 1.67 1.38 2d7iA1 ARG 207 HG3 0.04 -0.00 0.01 -0.04 1.67 1.67 2d7iA1 ARG 207 HD2 0.02 0.03 -0.09 -0.04 3.22 3.14 2d7iA1 ARG 207 HD3 0.02 -0.03 -0.15 -0.04 3.22 3.02 2d7iA1 ILE 208 H 0.07 0.20 0.16 -0.55 8.25 8.13 2d7iA1 ILE 208 HA 0.11 0.28 1.13 -0.75 4.18 4.94 2d7iA1 ILE 208 HB 0.09 -0.03 0.09 -0.04 1.89 2.00 2d7iA1 ILE 208 HG12 0.12 0.02 -0.14 -0.04 1.49 1.45 2d7iA1 ILE 208 HG13 0.10 0.00 -0.17 -0.04 1.21 1.10 2d7iA1 ILE 208 HG23 0.17 -0.01 -0.14 -0.04 0.93 0.90 2d7iA1 ILE 208 HD13 0.12 0.01 -0.18 -0.04 0.88 0.79 2d7iA1 LEU 209 H 0.07 0.77 0.41 -0.55 8.37 9.07 2d7iA1 LEU 209 HA 0.04 0.13 0.88 -0.75 4.35 4.65 2d7iA1 LEU 209 HB2 0.04 0.04 -0.16 -0.04 1.64 1.51 2d7iA1 LEU 209 HB3 0.03 -0.04 0.04 -0.04 1.64 1.63 2d7iA1 LEU 209 HG 0.03 -0.02 -0.19 -0.04 1.64 1.41 2d7iA1 LEU 209 HD13 0.03 0.00 -0.00 -0.04 0.93 0.91 2d7iA1 LEU 209 HD23 0.04 0.00 -0.21 -0.04 0.89 0.68 2d7iA1 ARG 210 H 0.03 0.22 0.17 -0.55 8.46 8.33 2d7iA1 ARG 210 HA -0.02 0.18 1.26 -0.75 4.34 5.01 2d7iA1 ARG 210 HB2 0.04 0.00 0.06 -0.04 1.90 1.97 2d7iA1 ARG 210 HB3 0.04 0.06 0.10 -0.04 1.80 1.95 2d7iA1 ARG 210 HG2 0.02 -0.03 -0.09 -0.04 1.67 1.54 2d7iA1 ARG 210 HG3 0.05 -0.03 -0.32 -0.04 1.67 1.32 2d7iA1 ARG 210 HD2 0.04 0.01 -0.04 -0.04 3.22 3.19 2d7iA1 ARG 210 HD3 0.03 -0.01 -0.02 -0.04 3.22 3.18 2d7iA1 THR 211 H 0.02 0.38 0.36 -0.55 8.28 8.49 2d7iA1 THR 211 HA 0.02 0.13 0.65 -0.75 4.39 4.44 2d7iA1 THR 211 HB -0.01 -0.03 0.16 -0.04 4.32 4.40 2d7iA1 THR 211 HG23 -0.01 0.02 0.02 -0.04 1.22 1.21 2d7iA1 LYS 212 H 0.01 0.13 0.17 -0.55 8.42 8.17 2d7iA1 LYS 212 HA 0.11 0.15 0.58 -0.75 4.32 4.41 2d7iA1 LYS 212 HB2 -0.02 -0.01 0.08 -0.04 1.87 1.87 2d7iA1 LYS 212 HB3 0.01 -0.00 0.08 -0.04 1.79 1.84 2d7iA1 LYS 212 HG2 0.02 -0.00 0.03 -0.04 1.46 1.46 2d7iA1 LYS 212 HG3 0.04 0.04 -0.02 -0.04 1.46 1.48 2d7iA1 LYS 212 HD2 0.02 -0.03 0.08 -0.04 1.69 1.72 2d7iA1 LYS 212 HD3 0.00 -0.01 0.06 -0.04 1.68 1.69 2d7iA1 LYS 212 HE2 0.01 0.03 0.02 -0.04 2.99 3.01 2d7iA1 LYS 212 HE3 0.01 -0.02 0.01 -0.04 2.99 2.95 2d7iA1 LYS 213 H -0.14 0.14 -0.07 -0.55 8.42 7.80 2d7iA1 LYS 213 HA -1.98 0.16 0.50 -0.75 4.32 2.25 2d7iA1 LYS 213 HB2 -0.47 -0.03 0.09 -0.04 1.87 1.42 2d7iA1 LYS 213 HB3 -0.43 0.10 -0.01 -0.04 1.79 1.40 2d7iA1 LYS 213 HG2 -0.15 -0.04 -0.22 -0.04 1.46 1.00 2d7iA1 LYS 213 HG3 -0.18 -0.03 -0.19 -0.04 1.46 1.02 2d7iA1 LYS 213 HD2 -0.15 0.10 -0.08 -0.04 1.69 1.52 2d7iA1 LYS 213 HD3 -0.14 -0.01 -0.05 -0.04 1.68 1.43 2d7iA1 LYS 213 HE2 -0.07 0.02 -0.04 -0.04 2.99 2.86 2d7iA1 LYS 213 HE3 -0.07 -0.02 -0.06 -0.04 2.99 2.80 2d7iA1 ARG 214 H -0.63 0.15 0.08 -0.55 8.46 7.51 2d7iA1 ARG 214 HA -0.02 0.02 0.38 -0.75 4.34 3.96 2d7iA1 ARG 214 HB2 0.02 0.04 0.12 -0.04 1.90 2.04 2d7iA1 ARG 214 HB3 -0.10 0.01 0.14 -0.04 1.80 1.81 2d7iA1 ARG 214 HG2 -0.06 0.03 -0.01 -0.04 1.67 1.58 2d7iA1 ARG 214 HG3 -0.10 -0.03 -0.25 -0.04 1.67 1.25 2d7iA1 ARG 214 HD2 -0.10 -0.08 0.03 -0.04 3.22 3.03 2d7iA1 ARG 214 HD3 0.00 0.08 0.03 -0.04 3.22 3.29 2d7iA1 GLU 215 H -0.06 0.02 0.21 -0.55 8.60 8.22 2d7iA1 GLU 215 HA -0.07 0.24 0.89 -0.75 4.29 4.60 2d7iA1 GLU 215 HB2 -0.04 -0.04 0.05 -0.04 2.09 2.02 2d7iA1 GLU 215 HB3 -0.03 0.00 -0.03 -0.04 1.99 1.89 2d7iA1 GLU 215 HG2 -0.07 0.16 -0.22 -0.04 2.34 2.17 2d7iA1 GLU 215 HG3 -0.03 -0.03 -0.03 -0.04 2.34 2.21 2d7iA1 GLY 216 H -0.10 -0.06 0.08 -0.55 8.43 7.81 2d7iA1 GLY 216 HA2 -0.11 -0.01 0.42 -0.51 4.01 3.80 2d7iA1 GLY 216 HA3 -0.07 0.46 0.80 -0.51 4.01 4.69 2d7iA1 LEU 217 H -0.06 0.46 0.27 -0.55 8.37 8.49 2d7iA1 LEU 217 HA -0.07 0.02 0.32 -0.75 4.35 3.87 2d7iA1 LEU 217 HB2 -0.06 0.03 0.06 -0.04 1.64 1.63 2d7iA1 LEU 217 HB3 -0.01 0.01 0.18 -0.04 1.64 1.78 2d7iA1 LEU 217 HG -0.12 -0.01 0.05 -0.04 1.64 1.52 2d7iA1 LEU 217 HD13 -0.28 -0.00 -0.27 -0.04 0.93 0.33 2d7iA1 LEU 217 HD23 0.01 -0.03 0.11 -0.04 0.89 0.94 2d7iA1 ILE 218 H -0.16 0.21 -0.23 -0.55 8.25 7.52 2d7iA1 ILE 218 HA -0.48 0.04 0.27 -0.75 4.18 3.26 2d7iA1 ILE 218 HB -0.15 0.23 0.00 -0.04 1.89 1.94 2d7iA1 ILE 218 HG12 -0.25 0.00 -0.16 -0.04 1.49 1.04 2d7iA1 ILE 218 HG13 -0.47 -0.08 -0.11 -0.04 1.21 0.50 2d7iA1 ILE 218 HG23 -0.29 0.02 -0.24 -0.04 0.93 0.37 2d7iA1 ILE 218 HD13 -0.17 -0.00 -0.36 -0.04 0.88 0.30 2d7iA1 ARG 219 H -0.07 0.32 -0.15 -0.55 8.46 8.01 2d7iA1 ARG 219 HA 0.04 0.05 0.37 -0.75 4.34 4.05 2d7iA1 ARG 219 HB2 -0.03 0.24 0.04 -0.04 1.90 2.11 2d7iA1 ARG 219 HB3 0.01 -0.08 -0.05 -0.04 1.80 1.63 2d7iA1 ARG 219 HG2 0.04 -0.07 0.06 -0.04 1.67 1.65 2d7iA1 ARG 219 HG3 -0.00 0.08 0.07 -0.04 1.67 1.78 2d7iA1 ARG 219 HD2 -0.01 -0.10 0.05 -0.04 3.22 3.12 2d7iA1 ARG 219 HD3 0.01 -0.07 0.05 -0.04 3.22 3.17 2d7iA1 THR 220 H -0.04 0.63 -0.38 -0.55 8.28 7.94 2d7iA1 THR 220 HA 0.01 -0.01 0.37 -0.75 4.39 4.00 2d7iA1 THR 220 HB -0.04 0.05 0.02 -0.04 4.32 4.30 2d7iA1 THR 220 HG23 -0.05 -0.02 -0.12 -0.04 1.22 1.00 2d7iA1 ARG 221 H -0.03 0.62 -0.24 -0.55 8.46 8.26 2d7iA1 ARG 221 HA 0.17 0.02 0.43 -0.75 4.34 4.20 2d7iA1 ARG 221 HB2 -0.12 0.14 0.13 -0.04 1.90 2.01 2d7iA1 ARG 221 HB3 -0.08 -0.03 -0.01 -0.04 1.80 1.64 2d7iA1 ARG 221 HG2 0.03 -0.07 0.00 -0.04 1.67 1.58 2d7iA1 ARG 221 HG3 -0.15 0.14 0.02 -0.04 1.67 1.64 2d7iA1 ARG 221 HD2 -0.60 0.02 -0.03 -0.04 3.22 2.57 2d7iA1 ARG 221 HD3 -0.09 -0.01 -0.03 -0.04 3.22 3.05 2d7iA1 MET 222 H 0.12 0.34 -0.29 -0.55 8.47 8.09 2d7iA1 MET 222 HA 0.35 0.03 0.37 -0.75 4.52 4.52 2d7iA1 MET 222 HB2 0.17 0.15 0.17 -0.04 2.15 2.60 2d7iA1 MET 222 HB3 0.34 -0.02 -0.03 -0.04 2.03 2.28 2d7iA1 MET 222 HG2 0.25 0.15 -0.03 -0.04 2.63 2.96 2d7iA1 MET 222 HG3 0.18 -0.02 -0.10 -0.04 2.56 2.58 2d7iA1 MET 222 HE3 0.22 0.08 0.03 -0.04 2.10 2.38 2d7iA1 LEU 223 H 0.13 0.55 -0.17 -0.55 8.37 8.33 2d7iA1 LEU 223 HA 0.13 0.02 0.35 -0.75 4.35 4.09 2d7iA1 LEU 223 HB2 0.06 -0.02 0.06 -0.04 1.64 1.70 2d7iA1 LEU 223 HB3 0.06 0.13 0.10 -0.04 1.64 1.89 2d7iA1 LEU 223 HG 0.05 0.02 -0.32 -0.04 1.64 1.35 2d7iA1 LEU 223 HD13 0.05 -0.01 -0.04 -0.04 0.93 0.89 2d7iA1 LEU 223 HD23 0.02 -0.02 -0.17 -0.04 0.89 0.68 2d7iA1 GLY 224 H 0.12 0.39 -0.28 -0.55 8.43 8.11 2d7iA1 GLY 224 HA2 0.06 -0.01 0.22 -0.51 4.01 3.78 2d7iA1 GLY 224 HA3 0.06 0.04 0.20 -0.51 4.01 3.81 2d7iA1 ALA 225 H 0.23 0.45 -0.30 -0.55 8.40 8.24 2d7iA1 ALA 225 HA 0.05 -0.01 0.45 -0.75 4.34 4.08 2d7iA1 ALA 225 HB3 0.19 0.01 0.06 -0.04 1.41 1.63 2d7iA1 SER 226 H 0.36 0.58 -0.21 -0.55 8.46 8.65 2d7iA1 SER 226 HA 0.10 0.04 0.38 -0.75 4.49 4.26 2d7iA1 SER 226 HB2 -0.08 -0.09 0.10 -0.04 3.95 3.83 2d7iA1 SER 226 HB3 0.19 0.01 0.07 -0.04 3.93 4.16 2d7iA1 VAL 227 H 0.12 0.23 -0.56 -0.55 8.24 7.47 2d7iA1 VAL 227 HA 0.02 0.17 0.88 -0.75 4.13 4.44 2d7iA1 VAL 227 HB 0.04 0.06 -0.04 -0.04 2.12 2.14 2d7iA1 VAL 227 HG13 0.02 -0.03 -0.08 -0.04 0.97 0.83 2d7iA1 VAL 227 HG23 0.03 -0.02 -0.18 -0.04 0.95 0.74 2d7iA1 ALA 228 H 0.09 0.19 -0.09 -0.55 8.40 8.04 2d7iA1 ALA 228 HA -0.00 -0.08 0.33 -0.75 4.34 3.84 2d7iA1 ALA 228 HB3 -0.01 0.02 0.07 -0.04 1.41 1.45 2d7iA1 THR 229 H -0.01 -0.00 0.15 -0.55 8.28 7.87 2d7iA1 THR 229 HA 0.02 0.27 0.86 -0.75 4.39 4.78 2d7iA1 THR 229 HB 0.00 -0.03 0.08 -0.04 4.32 4.34 2d7iA1 THR 229 HG23 0.00 0.02 -0.06 -0.04 1.22 1.14 2d7iA1 GLY 230 H -0.02 -0.07 -0.04 -0.55 8.43 7.76 2d7iA1 GLY 230 HA2 -0.02 0.10 0.34 -0.51 4.01 3.92 2d7iA1 GLY 230 HA3 -0.04 -0.07 0.08 -0.51 4.01 3.47 2d7iA1 ASP 231 H -0.03 0.17 0.07 -0.55 8.40 8.07 2d7iA1 ASP 231 HA 0.01 0.06 0.46 -0.75 4.63 4.41 2d7iA1 ASP 231 HB2 -0.04 0.18 0.17 -0.04 2.71 2.99 2d7iA1 ASP 231 HB3 -0.01 -0.02 0.09 -0.04 2.70 2.72 2d7iA1 VAL 232 H -0.06 0.43 0.13 -0.55 8.24 8.18 2d7iA1 VAL 232 HA -0.03 0.01 1.08 -0.75 4.13 4.45 2d7iA1 VAL 232 HB -0.05 -0.02 -0.30 -0.04 2.12 1.72 2d7iA1 VAL 232 HG13 -0.05 0.04 -0.19 -0.04 0.97 0.73 2d7iA1 VAL 232 HG23 -0.13 0.01 -0.32 -0.04 0.95 0.47 2d7iA1 ILE 233 H -0.14 0.69 0.23 -0.55 8.25 8.48 2d7iA1 ILE 233 HA -0.29 0.14 0.87 -0.75 4.18 4.15 2d7iA1 ILE 233 HB -0.47 0.03 0.17 -0.04 1.89 1.58 2d7iA1 ILE 233 HG12 -0.23 0.01 0.00 -0.04 1.49 1.23 2d7iA1 ILE 233 HG13 -0.14 -0.08 -0.03 -0.04 1.21 0.91 2d7iA1 ILE 233 HG23 -1.17 -0.00 -0.18 -0.04 0.93 -0.46 2d7iA1 ILE 233 HD13 -0.32 0.02 0.03 -0.04 0.88 0.56 2d7iA1 THR 234 H -0.33 0.60 0.28 -0.55 8.28 8.28 2d7iA1 THR 234 HA -0.25 0.25 1.17 -0.75 4.39 4.80 2d7iA1 THR 234 HB -0.10 -0.06 0.03 -0.04 4.32 4.15 2d7iA1 THR 234 HG23 0.13 0.00 -0.25 -0.04 1.22 1.06 2d7iA1 PHE 235 H -0.33 0.73 0.37 -0.55 8.34 8.55 2d7iA1 PHE 235 HA -0.23 0.25 1.07 -0.75 4.62 4.97 2d7iA1 PHE 235 HB2 -0.82 -0.06 0.05 -0.04 3.15 2.27 2d7iA1 PHE 235 HB3 -0.29 0.03 0.03 -0.04 3.06 2.79 2d7iA1 PHE 235 HD2 -0.87 0.07 -0.04 -0.04 7.28 6.40 2d7iA1 PHE 235 HE2 -0.53 0.04 -0.06 -0.04 7.38 6.79 2d7iA1 PHE 235 HZ -0.58 -0.00 -0.11 -0.04 7.32 6.59 2d7iA1 LEU 236 H 0.03 0.52 0.35 -0.55 8.37 8.73 2d7iA1 LEU 236 HA -0.04 0.07 0.80 -0.75 4.35 4.43 2d7iA1 LEU 236 HB2 -0.06 -0.01 -0.23 -0.04 1.64 1.30 2d7iA1 LEU 236 HB3 -0.09 0.08 -0.16 -0.04 1.64 1.42 2d7iA1 LEU 236 HG -0.19 -0.06 -0.07 -0.04 1.64 1.28 2d7iA1 LEU 236 HD13 -0.05 0.01 -0.15 -0.04 0.93 0.70 2d7iA1 LEU 236 HD23 -0.23 -0.01 -0.19 -0.04 0.89 0.42 2d7iA1 ASP 237 H -0.06 0.07 0.06 -0.55 8.40 7.92 2d7iA1 ASP 237 HA -0.08 0.14 0.60 -0.75 4.63 4.53 2d7iA1 ASP 237 HB2 0.03 0.03 0.05 -0.04 2.71 2.78 2d7iA1 ASP 237 HB3 -0.49 -0.11 0.02 -0.04 2.70 2.08 2d7iA1 SER 238 H -0.26 0.14 0.18 -0.55 8.46 7.97 2d7iA1 SER 238 HA -0.13 0.21 0.42 -0.75 4.49 4.24 2d7iA1 SER 238 HB2 -0.04 -0.06 0.14 -0.04 3.95 3.95 2d7iA1 SER 238 HB3 0.07 0.19 0.04 -0.04 3.93 4.19 2d7iA1 HIS 239 H -0.75 0.04 -0.68 -0.55 8.41 6.47 2d7iA1 HIS 239 HA -0.14 0.29 0.73 -0.75 4.63 4.75 2d7iA1 HIS 239 HB2 -0.46 -0.02 0.15 -0.04 3.26 2.89 2d7iA1 HIS 239 HB3 -0.16 -0.04 -0.04 -0.04 3.20 2.92 2d7iA1 HIS 239 HD2 -0.76 -0.07 0.07 -0.04 6.97 6.16 2d7iA1 HIS 239 HE1 0.19 -0.01 0.04 -0.04 7.75 7.93 2d7iA1 CYS 240 H -0.15 0.25 -0.11 -0.55 8.50 7.94 2d7iA1 CYS 240 HA -0.12 0.26 0.79 -0.75 4.58 4.75 2d7iA1 CYS 240 HB2 -0.16 0.04 -0.07 -0.04 2.97 2.73 2d7iA1 CYS 240 HB3 -0.15 -0.02 0.01 -0.04 2.97 2.77 2d7iA1 GLU 241 H -0.10 0.37 0.01 -0.55 8.60 8.32 2d7iA1 GLU 241 HA -0.14 0.16 0.55 -0.75 4.29 4.10 2d7iA1 GLU 241 HB2 0.05 -0.13 -0.06 -0.04 2.09 1.90 2d7iA1 GLU 241 HB3 -0.04 0.12 -0.11 -0.04 1.99 1.92 2d7iA1 GLU 241 HG2 -0.05 0.13 -0.14 -0.04 2.34 2.24 2d7iA1 GLU 241 HG3 -0.05 -0.09 -0.72 -0.04 2.34 1.45 2d7iA1 ALA 242 H -0.34 0.15 -0.02 -0.55 8.40 7.64 2d7iA1 ALA 242 HA -0.58 -0.02 0.49 -0.75 4.34 3.48 2d7iA1 ALA 242 HB3 -1.28 0.03 -0.06 -0.04 1.41 0.06 2d7iA1 ASN 243 H -0.10 0.54 0.36 -0.55 8.53 8.78 2d7iA1 ASN 243 HA -0.07 0.16 0.68 -0.75 4.76 4.78 2d7iA1 ASN 243 HB2 0.05 -0.01 -0.03 -0.04 2.88 2.85 2d7iA1 ASN 243 HB3 0.09 0.03 0.02 -0.04 2.79 2.89 2d7iA1 ASN 243 HD21 -0.21 0.53 0.02 -0.04 7.03 7.32 2d7iA1 ASN 243 HD22 -0.03 -0.09 -0.10 -0.04 7.74 7.48 2d7iA1 VAL 244 H 0.04 0.09 0.07 -0.55 8.24 7.89 2d7iA1 VAL 244 HA 0.12 0.04 0.39 -0.75 4.13 3.92 2d7iA1 VAL 244 HB 0.07 0.02 0.09 -0.04 2.12 2.26 2d7iA1 VAL 244 HG13 0.09 0.01 0.05 -0.04 0.97 1.08 2d7iA1 VAL 244 HG23 0.16 -0.01 -0.14 -0.04 0.95 0.93 2d7iA1 ASN 245 H 0.14 0.14 0.22 -0.55 8.53 8.48 2d7iA1 ASN 245 HA -0.02 0.02 0.40 -0.75 4.76 4.40 2d7iA1 ASN 245 HB2 -0.11 -0.12 -0.05 -0.04 2.88 2.55 2d7iA1 ASN 245 HB3 -0.06 0.16 -0.13 -0.04 2.79 2.72 2d7iA1 ASN 245 HD21 -0.05 -0.05 -0.09 -0.04 7.03 6.80 2d7iA1 ASN 245 HD22 -0.22 0.09 -0.02 -0.04 7.74 7.55 2d7iA1 TRP 246 H 0.33 0.19 0.01 -0.55 7.97 7.95 2d7iA1 TRP 246 HA -0.05 0.23 0.75 -0.75 4.62 4.79 2d7iA1 TRP 246 HB2 -0.03 -0.11 -0.05 -0.04 3.23 3.00 2d7iA1 TRP 246 HB3 -0.02 0.17 -0.05 -0.04 3.23 3.30 2d7iA1 TRP 246 HD1 -0.05 0.19 0.08 -0.04 7.22 7.40 2d7iA1 TRP 246 HE1 -0.06 0.08 -0.24 -0.04 10.20 9.94 2d7iA1 TRP 246 HE3 -0.06 -0.03 -0.28 -0.04 7.59 7.18 2d7iA1 TRP 246 HZ2 -0.08 0.03 -0.10 -0.04 7.44 7.25 2d7iA1 TRP 246 HZ3 -0.08 0.00 -0.18 -0.04 7.13 6.83 2d7iA1 TRP 246 HH2 -0.10 0.00 -0.15 -0.04 7.19 6.90 2d7iA1 LEU 247 H -1.27 0.11 0.05 -0.55 8.37 6.72 2d7iA1 LEU 247 HA -1.24 0.10 0.53 -0.75 4.35 2.99 2d7iA1 LEU 247 HB2 -2.08 0.03 0.05 -0.04 1.64 -0.40 2d7iA1 LEU 247 HB3 -0.90 0.05 0.13 -0.04 1.64 0.88 2d7iA1 LEU 247 HG -0.65 -0.02 -0.27 -0.04 1.64 0.67 2d7iA1 LEU 247 HD13 -0.78 -0.01 -0.06 -0.04 0.93 0.04 2d7iA1 LEU 247 HD23 -0.42 0.02 -0.12 -0.04 0.89 0.34 2d7iA1 PRO 248 HA -0.73 0.04 0.35 -0.51 4.44 3.59 2d7iA1 PRO 248 HB2 -0.63 0.10 -0.06 -0.04 2.28 1.65 2d7iA1 PRO 248 HB3 -1.09 0.03 -0.02 -0.04 2.02 0.90 2d7iA1 PRO 248 HG2 -0.40 0.07 0.01 -0.04 2.03 1.67 2d7iA1 PRO 248 HG3 -0.98 0.04 0.04 -0.04 2.03 1.09 2d7iA1 PRO 248 HD2 -0.46 0.17 -0.22 -0.04 3.68 3.13 2d7iA1 PRO 248 HD3 -0.61 0.04 0.15 -0.04 3.65 3.19 2d7iA1 PRO 249 HA -0.89 0.02 0.39 -0.51 4.44 3.45 2d7iA1 PRO 249 HB2 -0.15 -0.03 -0.12 -0.04 2.28 1.94 2d7iA1 PRO 249 HB3 -0.50 0.02 -0.05 -0.04 2.02 1.45 2d7iA1 PRO 249 HG2 -0.22 0.17 -0.22 -0.04 2.03 1.73 2d7iA1 PRO 249 HG3 -0.14 0.25 -0.18 -0.04 2.03 1.92 2d7iA1 PRO 249 HD2 -0.47 -0.03 -0.69 -0.04 3.68 2.45 2d7iA1 PRO 249 HD3 -0.59 0.11 -0.14 -0.04 3.65 2.99 2d7iA1 LEU 250 H -0.38 0.48 -0.47 -0.55 8.37 7.45 2d7iA1 LEU 250 HA -0.12 0.08 0.56 -0.75 4.35 4.12 2d7iA1 LEU 250 HB2 -0.30 0.12 0.09 -0.04 1.64 1.51 2d7iA1 LEU 250 HB3 -0.12 -0.06 -0.07 -0.04 1.64 1.35 2d7iA1 LEU 250 HG -0.12 0.16 -0.04 -0.04 1.64 1.60 2d7iA1 LEU 250 HD13 -0.03 -0.03 -0.12 -0.04 0.93 0.71 2d7iA1 LEU 250 HD23 0.02 -0.01 -0.25 -0.04 0.89 0.60 2d7iA1 LEU 251 H -0.35 0.45 0.01 -0.55 8.37 7.93 2d7iA1 LEU 251 HA -0.17 0.02 0.34 -0.75 4.35 3.80 2d7iA1 LEU 251 HB2 -0.36 0.03 0.06 -0.04 1.64 1.33 2d7iA1 LEU 251 HB3 -0.22 0.06 0.01 -0.04 1.64 1.44 2d7iA1 LEU 251 HG -0.42 0.12 -0.06 -0.04 1.64 1.24 2d7iA1 LEU 251 HD13 -0.36 0.08 -0.09 -0.04 0.93 0.51 2d7iA1 LEU 251 HD23 -0.22 -0.01 -0.15 -0.04 0.89 0.46 2d7iA1 ASP 252 H -0.26 0.61 -0.14 -0.55 8.40 8.07 2d7iA1 ASP 252 HA -0.04 0.04 0.38 -0.75 4.63 4.25 2d7iA1 ASP 252 HB2 -0.04 0.03 0.06 -0.04 2.71 2.72 2d7iA1 ASP 252 HB3 -0.05 0.05 0.05 -0.04 2.70 2.71 2d7iA1 ARG 253 H -0.07 0.31 -0.38 -0.55 8.46 7.76 2d7iA1 ARG 253 HA 0.01 -0.01 0.33 -0.75 4.34 3.92 2d7iA1 ARG 253 HB2 -0.02 0.14 0.12 -0.04 1.90 2.10 2d7iA1 ARG 253 HB3 -0.04 0.11 0.04 -0.04 1.80 1.87 2d7iA1 ARG 253 HG2 -0.01 -0.01 -0.08 -0.04 1.67 1.53 2d7iA1 ARG 253 HG3 -0.01 -0.00 -0.15 -0.04 1.67 1.47 2d7iA1 ARG 253 HD2 0.02 -0.04 0.04 -0.04 3.22 3.20 2d7iA1 ARG 253 HD3 0.04 0.01 0.01 -0.04 3.22 3.23 2d7iA1 ILE 254 H -0.06 0.41 -0.20 -0.55 8.25 7.84 2d7iA1 ILE 254 HA -0.04 0.22 0.33 -0.75 4.18 3.94 2d7iA1 ILE 254 HB -0.06 0.04 0.01 -0.04 1.89 1.85 2d7iA1 ILE 254 HG12 0.00 0.32 0.08 -0.04 1.49 1.85 2d7iA1 ILE 254 HG13 -0.03 0.05 0.01 -0.04 1.21 1.20 2d7iA1 ILE 254 HG23 -0.01 -0.02 -0.05 -0.04 0.93 0.81 2d7iA1 ILE 254 HD13 -0.00 -0.05 -0.24 -0.04 0.88 0.54 2d7iA1 ALA 255 H -0.05 0.43 -0.43 -0.55 8.40 7.81 2d7iA1 ALA 255 HA -0.03 -0.03 0.41 -0.75 4.34 3.93 2d7iA1 ALA 255 HB3 -0.02 0.03 0.13 -0.04 1.41 1.50 2d7iA1 ARG 256 H -0.01 0.42 -0.21 -0.55 8.46 8.10 2d7iA1 ARG 256 HA -0.01 0.02 0.55 -0.75 4.34 4.15 2d7iA1 ARG 256 HB2 0.00 0.09 0.07 -0.04 1.90 2.02 2d7iA1 ARG 256 HB3 0.01 -0.09 0.06 -0.04 1.80 1.73 2d7iA1 ARG 256 HG2 0.02 0.41 0.12 -0.04 1.67 2.17 2d7iA1 ARG 256 HG3 0.03 -0.08 -0.01 -0.04 1.67 1.56 2d7iA1 ARG 256 HD2 0.02 -0.04 0.01 -0.04 3.22 3.18 2d7iA1 ARG 256 HD3 0.02 -0.00 -0.05 -0.04 3.22 3.15 2d7iA1 ASN 257 H -0.04 0.50 -0.14 -0.55 8.53 8.31 2d7iA1 ASN 257 HA -0.07 0.12 0.88 -0.75 4.76 4.93 2d7iA1 ASN 257 HB2 -0.06 -0.05 0.15 -0.04 2.88 2.87 2d7iA1 ASN 257 HB3 -0.07 -0.03 0.04 -0.04 2.79 2.69 2d7iA1 ASN 257 HD21 0.00 -0.03 -0.10 -0.04 7.03 6.86 2d7iA1 ASN 257 HD22 -0.02 0.00 -0.06 -0.04 7.74 7.62 2d7iA1 ARG 258 H -0.11 0.16 0.02 -0.55 8.46 7.98 2d7iA1 ARG 258 HA -0.08 0.21 0.43 -0.75 4.34 4.15 2d7iA1 ARG 258 HB2 -0.09 0.07 0.13 -0.04 1.90 1.98 2d7iA1 ARG 258 HB3 -0.19 -0.03 0.09 -0.04 1.80 1.64 2d7iA1 ARG 258 HG2 -0.13 -0.03 -0.07 -0.04 1.67 1.40 2d7iA1 ARG 258 HG3 -0.03 -0.02 0.11 -0.04 1.67 1.69 2d7iA1 ARG 258 HD2 0.00 -0.09 0.01 -0.04 3.22 3.11 2d7iA1 ARG 258 HD3 -0.04 0.04 0.03 -0.04 3.22 3.20 2d7iA1 LYS 259 H -0.34 0.05 -0.29 -0.55 8.42 7.29 2d7iA1 LYS 259 HA -1.51 0.15 0.72 -0.75 4.32 2.92 2d7iA1 LYS 259 HB2 -0.53 -0.01 0.07 -0.04 1.87 1.37 2d7iA1 LYS 259 HB3 -0.77 0.03 0.16 -0.04 1.79 1.16 2d7iA1 LYS 259 HG2 -3.21 0.01 -0.01 -0.04 1.46 -1.78 2d7iA1 LYS 259 HG3 -0.96 -0.12 -0.07 -0.04 1.46 0.27 2d7iA1 LYS 259 HD2 -0.48 -0.01 0.00 -0.04 1.69 1.16 2d7iA1 LYS 259 HD3 -0.80 0.13 -0.12 -0.04 1.68 0.85 2d7iA1 LYS 259 HE2 -0.72 0.02 -0.02 -0.04 2.99 2.23 2d7iA1 LYS 259 HE3 -0.44 -0.09 -0.02 -0.04 2.99 2.40 2d7iA1 THR 260 H -0.13 0.51 -0.32 -0.55 8.28 7.79 2d7iA1 THR 260 HA -0.08 0.06 0.77 -0.75 4.39 4.38 2d7iA1 THR 260 HB -0.05 0.08 -0.00 -0.04 4.32 4.32 2d7iA1 THR 260 HG23 -0.07 -0.03 -0.40 -0.04 1.22 0.69 2d7iA1 ILE 261 H -0.08 0.70 0.42 -0.55 8.25 8.75 2d7iA1 ILE 261 HA 0.09 0.19 0.99 -0.75 4.18 4.69 2d7iA1 ILE 261 HB -0.13 -0.02 0.20 -0.04 1.89 1.90 2d7iA1 ILE 261 HG12 0.10 -0.02 -0.00 -0.04 1.49 1.53 2d7iA1 ILE 261 HG13 0.08 0.07 -0.04 -0.04 1.21 1.28 2d7iA1 ILE 261 HG23 -0.06 0.01 -0.14 -0.04 0.93 0.69 2d7iA1 ILE 261 HD13 -0.25 -0.01 -0.08 -0.04 0.88 0.49 2d7iA1 VAL 262 H 0.07 0.49 0.34 -0.55 8.24 8.58 2d7iA1 VAL 262 HA -0.02 0.30 1.31 -0.75 4.13 4.98 2d7iA1 VAL 262 HB -0.02 0.01 -0.00 -0.04 2.12 2.07 2d7iA1 VAL 262 HG13 -0.02 0.01 -0.21 -0.04 0.97 0.71 2d7iA1 VAL 262 HG23 -0.01 0.00 0.04 -0.04 0.95 0.94 2d7iA1 CYS 263 H -0.02 0.82 0.46 -0.55 8.50 9.20 2d7iA1 CYS 263 HA 0.10 0.18 1.06 -0.75 4.58 5.17 2d7iA1 CYS 263 HB2 -0.01 -0.05 0.08 -0.04 2.97 2.95 2d7iA1 CYS 263 HB3 0.04 0.08 0.13 -0.04 2.97 3.18 2d7iA1 PRO 264 HA 0.08 0.18 0.64 -0.51 4.44 4.83 2d7iA1 PRO 264 HB2 0.14 0.06 -0.26 -0.04 2.28 2.18 2d7iA1 PRO 264 HB3 0.20 -0.01 -0.13 -0.04 2.02 2.04 2d7iA1 PRO 264 HG2 0.08 -0.01 -0.21 -0.04 2.03 1.85 2d7iA1 PRO 264 HG3 0.15 -0.00 -0.15 -0.04 2.03 1.98 2d7iA1 PRO 264 HD2 0.11 0.20 -0.02 -0.04 3.68 3.93 2d7iA1 PRO 264 HD3 0.14 0.11 -0.06 -0.04 3.65 3.80 2d7iA1 MET 265 H 0.10 0.80 0.36 -0.55 8.47 9.19 2d7iA1 MET 265 HA 0.10 0.04 0.50 -0.75 4.52 4.40 2d7iA1 MET 265 HB2 0.12 -0.07 0.07 -0.04 2.15 2.23 2d7iA1 MET 265 HB3 0.11 -0.05 -0.05 -0.04 2.03 2.01 2d7iA1 MET 265 HG2 0.13 0.22 0.00 -0.04 2.63 2.94 2d7iA1 MET 265 HG3 0.15 0.04 0.03 -0.04 2.56 2.73 2d7iA1 MET 265 HE3 0.12 0.06 -0.48 -0.04 2.10 1.76 2d7iA1 ILE 266 H 0.08 0.15 0.11 -0.55 8.25 8.05 2d7iA1 ILE 266 HA 0.04 0.27 0.85 -0.75 4.18 4.59 2d7iA1 ILE 266 HB 0.09 -0.05 0.14 -0.04 1.89 2.03 2d7iA1 ILE 266 HG12 0.00 0.03 -0.13 -0.04 1.49 1.35 2d7iA1 ILE 266 HG13 0.04 0.18 -0.11 -0.04 1.21 1.28 2d7iA1 ILE 266 HG23 0.01 0.00 -0.13 -0.04 0.93 0.77 2d7iA1 ILE 266 HD13 -0.04 -0.03 0.02 -0.04 0.88 0.78 2d7iA1 ASP 267 H 0.00 0.65 0.17 -0.55 8.40 8.67 2d7iA1 ASP 267 HA -0.05 0.02 0.75 -0.75 4.63 4.59 2d7iA1 ASP 267 HB2 -0.33 -0.01 -0.24 -0.04 2.71 2.08 2d7iA1 ASP 267 HB3 -0.62 0.06 -0.23 -0.04 2.70 1.87 2d7iA1 VAL 268 H -0.16 0.74 0.30 -0.55 8.24 8.58 2d7iA1 VAL 268 HA 0.16 0.25 0.86 -0.75 4.13 4.64 2d7iA1 VAL 268 HB -0.08 0.11 0.05 -0.04 2.12 2.15 2d7iA1 VAL 268 HG13 -0.01 -0.04 -0.22 -0.04 0.97 0.65 2d7iA1 VAL 268 HG23 -0.08 -0.02 -0.06 -0.04 0.95 0.75 2d7iA1 ILE 269 H -0.07 0.53 0.22 -0.55 8.25 8.38 2d7iA1 ILE 269 HA -0.14 0.41 0.71 -0.75 4.18 4.40 2d7iA1 ILE 269 HB -0.36 -0.10 -0.22 -0.04 1.89 1.16 2d7iA1 ILE 269 HG12 0.01 0.12 -0.25 -0.04 1.49 1.33 2d7iA1 ILE 269 HG13 -0.16 -0.13 -0.49 -0.04 1.21 0.39 2d7iA1 ILE 269 HG23 -0.46 0.05 -0.27 -0.04 0.93 0.20 2d7iA1 ILE 269 HD13 -0.09 -0.00 -0.45 -0.04 0.88 0.29 2d7iA1 ASP 270 H -0.11 0.64 -0.02 -0.55 8.40 8.36 2d7iA1 ASP 270 HA -0.21 0.06 0.41 -0.75 4.63 4.13 2d7iA1 ASP 270 HB2 -0.08 0.21 0.08 -0.04 2.71 2.89 2d7iA1 ASP 270 HB3 -0.02 -0.24 0.15 -0.04 2.70 2.55 2d7iA1 HIS 271 H -0.46 0.23 0.23 -0.55 8.41 7.86 2d7iA1 HIS 271 HA -0.11 0.12 0.40 -0.75 4.63 4.28 2d7iA1 HIS 271 HB2 0.22 -0.11 0.34 -0.04 3.26 3.68 2d7iA1 HIS 271 HB3 0.05 0.25 0.18 -0.04 3.20 3.64 2d7iA1 HIS 271 HD2 0.18 -0.04 -0.34 -0.04 6.97 6.73 2d7iA1 HIS 271 HE1 0.04 0.04 0.01 -0.04 7.75 7.79 2d7iA1 ASP 272 H 0.03 -0.08 -0.56 -0.55 8.40 7.25 2d7iA1 ASP 272 HA 0.42 0.21 1.03 -0.75 4.63 5.55 2d7iA1 ASP 272 HB2 0.13 -0.08 0.11 -0.04 2.71 2.83 2d7iA1 ASP 272 HB3 0.22 0.05 -0.01 -0.04 2.70 2.92 2d7iA1 ASP 273 H 0.13 0.04 0.08 -0.55 8.40 8.11 2d7iA1 ASP 273 HA 0.23 0.29 0.94 -0.75 4.63 5.34 2d7iA1 ASP 273 HB2 0.18 -0.11 0.29 -0.04 2.71 3.03 2d7iA1 ASP 273 HB3 0.15 0.06 0.06 -0.04 2.70 2.93 2d7iA1 PHE 274 H 0.24 0.23 -0.21 -0.55 8.34 8.05 2d7iA1 PHE 274 HA -0.01 0.17 0.16 -0.75 4.62 4.20 2d7iA1 PHE 274 HB2 0.04 0.03 -0.49 -0.04 3.15 2.69 2d7iA1 PHE 274 HB3 0.02 0.08 0.05 -0.04 3.06 3.17 2d7iA1 PHE 274 HD2 -0.03 0.01 -0.26 -0.04 7.28 6.96 2d7iA1 PHE 274 HE2 -0.06 -0.04 -0.14 -0.04 7.38 7.10 2d7iA1 PHE 274 HZ -0.17 -0.12 -0.18 -0.04 7.32 6.81 2d7iA1 ARG 275 H 0.09 -0.20 -0.33 -0.55 8.46 7.47 2d7iA1 ARG 275 HA 0.13 0.48 0.28 -0.75 4.34 4.47 2d7iA1 ARG 275 HB2 0.07 0.17 0.05 -0.04 1.90 2.15 2d7iA1 ARG 275 HB3 0.08 -0.11 0.03 -0.04 1.80 1.76 2d7iA1 ARG 275 HG2 0.02 -0.25 0.02 -0.04 1.67 1.42 2d7iA1 ARG 275 HG3 0.01 0.06 -0.24 -0.04 1.67 1.46 2d7iA1 ARG 275 HD2 0.03 0.10 -0.04 -0.04 3.22 3.28 2d7iA1 ARG 275 HD3 0.04 -0.04 0.01 -0.04 3.22 3.19 2d7iA1 TYR 276 H 0.19 0.56 0.30 -0.55 8.29 8.79 2d7iA1 TYR 276 HA -0.01 0.29 0.98 -0.75 4.56 5.07 2d7iA1 TYR 276 HB2 0.01 0.05 0.04 -0.04 3.06 3.12 2d7iA1 TYR 276 HB3 0.02 -0.01 0.21 -0.04 2.98 3.16 2d7iA1 TYR 276 HD2 -0.00 -0.00 -0.30 -0.04 7.15 6.81 2d7iA1 TYR 276 HE2 -0.00 -0.05 -0.16 -0.04 6.85 6.61 2d7iA1 GLU 277 H -0.35 0.65 0.28 -0.55 8.60 8.63 2d7iA1 GLU 277 HA 0.06 0.06 0.49 -0.75 4.29 4.14 2d7iA1 GLU 277 HB2 -0.00 0.02 0.04 -0.04 2.09 2.11 2d7iA1 GLU 277 HB3 0.04 0.14 -0.03 -0.04 1.99 2.10 2d7iA1 GLU 277 HG2 -0.03 -0.03 -0.45 -0.04 2.34 1.79 2d7iA1 GLU 277 HG3 -0.06 -0.00 -0.16 -0.04 2.34 2.08 2d7iA1 THR 278 H 0.01 0.13 0.12 -0.55 8.28 8.00 2d7iA1 THR 278 HA -0.04 0.00 0.45 -0.75 4.39 4.05 2d7iA1 THR 278 HB 0.05 0.02 0.09 -0.04 4.32 4.44 2d7iA1 THR 278 HG23 0.02 0.00 -0.10 -0.04 1.22 1.10 2d7iA1 GLN 279 H -0.00 0.17 0.19 -0.55 8.47 8.28 2d7iA1 GLN 279 HA -0.06 0.03 0.51 -0.75 4.36 4.09 2d7iA1 GLN 279 HB2 0.01 0.06 0.07 -0.04 2.15 2.24 2d7iA1 GLN 279 HB3 -0.04 0.03 0.07 -0.04 2.02 2.04 2d7iA1 GLN 279 HG2 -0.13 -0.07 0.03 -0.04 2.40 2.19 2d7iA1 GLN 279 HG3 0.02 0.06 0.11 -0.04 2.39 2.54 2d7iA1 GLN 279 HE21 0.14 -0.11 0.03 -0.04 6.97 6.98 2d7iA1 GLN 279 HE22 0.11 0.68 0.19 -0.04 7.69 8.63 2d7iA1 ALA 280 H -0.05 0.07 0.12 -0.55 8.40 8.00 2d7iA1 ALA 280 HA -0.02 0.03 0.37 -0.75 4.34 3.96 2d7iA1 ALA 280 HB3 -0.04 0.01 0.06 -0.04 1.41 1.40 2d7iA1 GLY 281 H -0.03 0.09 0.10 -0.55 8.43 8.05 2d7iA1 GLY 281 HA2 -0.04 -0.02 0.27 -0.51 4.01 3.71 2d7iA1 GLY 281 HA3 -0.05 0.13 0.33 -0.51 4.01 3.91 2d7iA1 ASP 282 H -0.00 0.30 -0.58 -0.55 8.40 7.57 2d7iA1 ASP 282 HA 0.04 0.00 0.19 -0.75 4.63 4.10 2d7iA1 ASP 282 HB2 0.03 -0.05 -0.06 -0.04 2.71 2.60 2d7iA1 ASP 282 HB3 0.02 0.10 -0.02 -0.04 2.70 2.76 2d7iA1 ALA 283 H 0.03 0.04 0.15 -0.55 8.40 8.08 2d7iA1 ALA 283 HA 0.18 -0.03 0.43 -0.75 4.34 4.17 2d7iA1 ALA 283 HB3 -0.16 -0.00 0.13 -0.04 1.41 1.33 2d7iA1 MET 284 H 0.21 0.18 0.25 -0.55 8.47 8.55 2d7iA1 MET 284 HA -0.07 0.04 0.70 -0.75 4.52 4.45 2d7iA1 MET 284 HB2 0.02 -0.05 -0.17 -0.04 2.15 1.92 2d7iA1 MET 284 HB3 -0.05 0.03 -0.23 -0.04 2.03 1.74 2d7iA1 MET 284 HG2 -0.06 0.19 -0.35 -0.04 2.63 2.37 2d7iA1 MET 284 HG3 -0.02 0.15 -0.70 -0.04 2.56 1.95 2d7iA1 MET 284 HE3 -0.06 -0.00 -0.17 -0.04 2.10 1.83 2d7iA1 ARG 285 H -0.04 0.66 0.22 -0.55 8.46 8.75 2d7iA1 ARG 285 HA 0.18 0.10 0.83 -0.75 4.34 4.71 2d7iA1 ARG 285 HB2 -0.10 0.10 0.07 -0.04 1.90 1.93 2d7iA1 ARG 285 HB3 -0.07 0.04 0.08 -0.04 1.80 1.80 2d7iA1 ARG 285 HG2 0.07 0.16 0.15 -0.04 1.67 2.00 2d7iA1 ARG 285 HG3 0.11 -0.06 -0.06 -0.04 1.67 1.61 2d7iA1 ARG 285 HD2 -0.08 -0.02 0.04 -0.04 3.22 3.12 2d7iA1 ARG 285 HD3 -0.13 0.04 -0.05 -0.04 3.22 3.03 2d7iA1 GLY 286 H 0.10 0.08 0.28 -0.55 8.43 8.34 2d7iA1 GLY 286 HA2 -0.05 0.15 0.71 -0.51 4.01 4.31 2d7iA1 GLY 286 HA3 0.20 0.21 0.40 -0.51 4.01 4.30 2d7iA1 ALA 287 H -0.23 0.68 0.37 -0.55 8.40 8.67 2d7iA1 ALA 287 HA -0.12 0.05 0.41 -0.75 4.34 3.92 2d7iA1 ALA 287 HB3 -0.27 0.01 -0.13 -0.04 1.41 0.98 2d7iA1 PHE 288 H -0.80 0.32 0.14 -0.55 8.34 7.45 2d7iA1 PHE 288 HA -0.29 0.18 0.62 -0.75 4.62 4.37 2d7iA1 PHE 288 HB2 -0.30 -0.05 -0.13 -0.04 3.15 2.63 2d7iA1 PHE 288 HB3 -0.02 0.04 -0.28 -0.04 3.06 2.75 2d7iA1 PHE 288 HD2 -0.35 0.12 -0.42 -0.04 7.28 6.59 2d7iA1 PHE 288 HE2 -0.42 0.02 -0.16 -0.04 7.38 6.79 2d7iA1 PHE 288 HZ 0.22 -0.00 -0.10 -0.04 7.32 7.40 2d7iA1 ASP 289 H -0.18 0.30 0.16 -0.55 8.40 8.13 2d7iA1 ASP 289 HA -0.61 0.27 0.68 -0.75 4.63 4.21 2d7iA1 ASP 289 HB2 0.03 0.06 0.10 -0.04 2.71 2.87 2d7iA1 ASP 289 HB3 -0.51 0.10 0.02 -0.04 2.70 2.27 2d7iA1 TRP 290 H 0.15 0.26 0.05 -0.55 7.97 7.88 2d7iA1 TRP 290 HA 0.17 0.15 0.40 -0.75 4.62 4.60 2d7iA1 TRP 290 HB2 0.11 0.04 0.04 -0.04 3.23 3.37 2d7iA1 TRP 290 HB3 0.10 0.09 0.03 -0.04 3.23 3.41 2d7iA1 TRP 290 HD1 0.10 0.05 -0.36 -0.04 7.22 6.97 2d7iA1 TRP 290 HE1 0.03 0.51 -0.12 -0.04 10.20 10.57 2d7iA1 TRP 290 HE3 0.16 -0.04 -0.11 -0.04 7.59 7.56 2d7iA1 TRP 290 HZ2 0.10 0.03 -0.03 -0.04 7.44 7.49 2d7iA1 TRP 290 HZ3 0.27 -0.04 -0.10 -0.04 7.13 7.22 2d7iA1 TRP 290 HH2 0.43 -0.04 -0.05 -0.04 7.19 7.48 2d7iA1 GLU 291 H 0.12 0.00 -0.62 -0.55 8.60 7.55 2d7iA1 GLU 291 HA 0.04 0.24 0.75 -0.75 4.29 4.58 2d7iA1 GLU 291 HB2 0.34 -0.07 -0.04 -0.04 2.09 2.28 2d7iA1 GLU 291 HB3 0.12 -0.02 0.09 -0.04 1.99 2.14 2d7iA1 GLU 291 HG2 0.11 0.10 -0.09 -0.04 2.34 2.43 2d7iA1 GLU 291 HG3 0.20 -0.02 -0.13 -0.04 2.34 2.35 2d7iA1 MET 292 H -0.06 0.47 -0.18 -0.55 8.47 8.16 2d7iA1 MET 292 HA -0.33 0.15 0.21 -0.75 4.52 3.79 2d7iA1 MET 292 HB2 -0.12 0.19 -0.00 -0.04 2.15 2.17 2d7iA1 MET 292 HB3 -0.24 -0.10 0.15 -0.04 2.03 1.79 2d7iA1 MET 292 HG2 -0.11 0.04 -0.42 -0.04 2.63 2.10 2d7iA1 MET 292 HG3 -0.20 -0.06 -0.11 -0.04 2.56 2.14 2d7iA1 MET 292 HE3 -1.39 -0.02 -0.09 -0.04 2.10 0.56 2d7iA1 TYR 293 H 0.10 -0.02 -0.19 -0.55 8.29 7.63 2d7iA1 TYR 293 HA 0.19 0.07 0.64 -0.75 4.56 4.71 2d7iA1 TYR 293 HB2 0.01 -0.09 0.04 -0.04 3.06 2.98 2d7iA1 TYR 293 HB3 0.07 0.13 -0.04 -0.04 2.98 3.11 2d7iA1 TYR 293 HD2 0.11 -0.05 -0.04 -0.04 7.15 7.13 2d7iA1 TYR 293 HE2 0.10 -0.01 -0.03 -0.04 6.85 6.88 2d7iA1 TYR 294 H 0.40 0.07 0.17 -0.55 8.29 8.37 2d7iA1 TYR 294 HA 0.23 0.17 0.52 -0.75 4.56 4.73 2d7iA1 TYR 294 HB2 0.03 -0.02 0.13 -0.04 3.06 3.15 2d7iA1 TYR 294 HB3 0.10 -0.08 0.16 -0.04 2.98 3.12 2d7iA1 TYR 294 HD2 0.07 -0.03 -0.09 -0.04 7.15 7.06 2d7iA1 TYR 294 HE2 0.03 0.00 -0.21 -0.04 6.85 6.63 2d7iA1 LYS 295 H -0.38 0.82 0.29 -0.55 8.42 8.59 2d7iA1 LYS 295 HA -0.30 0.15 0.77 -0.75 4.32 4.19 2d7iA1 LYS 295 HB2 -0.40 -0.08 -0.40 -0.04 1.87 0.94 2d7iA1 LYS 295 HB3 -0.21 0.05 -0.15 -0.04 1.79 1.44 2d7iA1 LYS 295 HG2 -0.28 0.13 -0.41 -0.04 1.46 0.87 2d7iA1 LYS 295 HG3 -0.85 -0.02 -0.24 -0.04 1.46 0.29 2d7iA1 LYS 295 HD2 -0.05 0.00 -0.05 -0.04 1.69 1.55 2d7iA1 LYS 295 HD3 -0.09 0.25 -0.03 -0.04 1.68 1.77 2d7iA1 LYS 295 HE2 -0.02 -0.09 -0.17 -0.04 2.99 2.67 2d7iA1 LYS 295 HE3 -0.06 -0.03 -0.09 -0.04 2.99 2.78 2d7iA1 ARG 296 H -0.24 0.22 0.06 -0.55 8.46 7.94 2d7iA1 ARG 296 HA -0.25 0.33 0.93 -0.75 4.34 4.60 2d7iA1 ARG 296 HB2 -0.13 -0.07 0.03 -0.04 1.90 1.69 2d7iA1 ARG 296 HB3 -0.09 0.09 -0.16 -0.04 1.80 1.60 2d7iA1 ARG 296 HG2 0.00 0.07 -0.19 -0.04 1.67 1.51 2d7iA1 ARG 296 HG3 -0.38 -0.11 -0.45 -0.04 1.67 0.69 2d7iA1 ARG 296 HD2 0.23 -0.07 -0.11 -0.04 3.22 3.23 2d7iA1 ARG 296 HD3 0.01 -0.04 -0.10 -0.04 3.22 3.05 2d7iA1 ILE 297 H -0.19 0.68 0.15 -0.55 8.25 8.34 2d7iA1 ILE 297 HA -0.42 0.18 0.93 -0.75 4.18 4.11 2d7iA1 ILE 297 HB -0.62 0.08 -0.00 -0.04 1.89 1.31 2d7iA1 ILE 297 HG12 -0.20 0.05 -0.15 -0.04 1.49 1.14 2d7iA1 ILE 297 HG13 -0.20 0.05 -0.20 -0.04 1.21 0.82 2d7iA1 ILE 297 HG23 -0.47 -0.03 -0.25 -0.04 0.93 0.13 2d7iA1 ILE 297 HD13 -0.13 -0.01 -0.22 -0.04 0.88 0.49 2d7iA1 PRO 298 HA -0.10 0.07 0.48 -0.51 4.44 4.38 2d7iA1 PRO 298 HB2 -0.03 0.09 -0.08 -0.04 2.28 2.22 2d7iA1 PRO 298 HB3 -0.06 0.01 0.08 -0.04 2.02 2.00 2d7iA1 PRO 298 HG2 0.10 0.02 -0.00 -0.04 2.03 2.11 2d7iA1 PRO 298 HG3 0.07 0.03 0.03 -0.04 2.03 2.12 2d7iA1 PRO 298 HD2 -0.65 0.08 0.18 -0.04 3.68 3.24 2d7iA1 PRO 298 HD3 -0.28 0.14 0.16 -0.04 3.65 3.62 2d7iA1 ILE 299 H -0.11 0.18 0.17 -0.55 8.25 7.94 2d7iA1 ILE 299 HA -0.11 0.12 0.49 -0.75 4.18 3.92 2d7iA1 ILE 299 HB -0.16 -0.03 0.11 -0.04 1.89 1.77 2d7iA1 ILE 299 HG12 -0.21 0.04 -0.07 -0.04 1.49 1.21 2d7iA1 ILE 299 HG13 -0.22 -0.01 0.05 -0.04 1.21 0.99 2d7iA1 ILE 299 HG23 -0.11 0.04 -0.19 -0.04 0.93 0.64 2d7iA1 ILE 299 HD13 -0.86 -0.01 -0.12 -0.04 0.88 -0.14 2d7iA1 PRO 300 HA 0.05 0.12 0.43 -0.51 4.44 4.53 2d7iA1 PRO 300 HB2 0.24 -0.09 0.04 -0.04 2.28 2.42 2d7iA1 PRO 300 HB3 0.29 0.02 0.09 -0.04 2.02 2.39 2d7iA1 PRO 300 HG2 -0.67 0.00 0.06 -0.04 2.03 1.38 2d7iA1 PRO 300 HG3 -0.17 0.10 0.07 -0.04 2.03 1.98 2d7iA1 PRO 300 HD2 -0.14 0.05 0.20 -0.04 3.68 3.75 2d7iA1 PRO 300 HD3 -0.19 0.35 0.31 -0.04 3.65 4.09 2d7iA1 PRO 301 HA 0.02 0.12 0.45 -0.51 4.44 4.52 2d7iA1 PRO 301 HB2 0.04 -0.02 0.09 -0.04 2.28 2.35 2d7iA1 PRO 301 HB3 0.02 0.04 0.10 -0.04 2.02 2.14 2d7iA1 PRO 301 HG2 0.04 0.02 0.10 -0.04 2.03 2.14 2d7iA1 PRO 301 HG3 0.02 0.08 0.11 -0.04 2.03 2.20 2d7iA1 PRO 301 HD2 0.08 0.06 0.22 -0.04 3.68 4.00 2d7iA1 PRO 301 HD3 0.05 0.20 0.22 -0.04 3.65 4.07 2d7iA1 GLU 302 H 0.10 0.09 -0.23 -0.55 8.60 8.01 2d7iA1 GLU 302 HA 0.04 0.10 0.37 -0.75 4.29 4.05 2d7iA1 GLU 302 HB2 0.02 0.01 0.09 -0.04 2.09 2.18 2d7iA1 GLU 302 HB3 0.04 -0.05 0.06 -0.04 1.99 2.01 2d7iA1 GLU 302 HG2 0.27 -0.07 -0.08 -0.04 2.34 2.41 2d7iA1 GLU 302 HG3 0.16 0.07 -0.27 -0.04 2.34 2.27 2d7iA1 LEU 303 H 0.09 0.42 -0.56 -0.55 8.37 7.77 2d7iA1 LEU 303 HA 0.09 0.16 0.83 -0.75 4.35 4.68 2d7iA1 LEU 303 HB2 0.06 0.09 -0.00 -0.04 1.64 1.75 2d7iA1 LEU 303 HB3 0.08 -0.03 0.07 -0.04 1.64 1.72 2d7iA1 LEU 303 HG 0.36 -0.13 -0.16 -0.04 1.64 1.67 2d7iA1 LEU 303 HD13 0.06 0.00 0.01 -0.04 0.93 0.96 2d7iA1 LEU 303 HD23 0.22 0.03 -0.06 -0.04 0.89 1.04 2d7iA1 GLN 304 H 0.02 0.21 -0.12 -0.55 8.47 8.04 2d7iA1 GLN 304 HA -0.06 -0.03 0.39 -0.75 4.36 3.91 2d7iA1 GLN 304 HB2 -0.01 0.08 0.14 -0.04 2.15 2.32 2d7iA1 GLN 304 HB3 -0.04 0.01 -0.04 -0.04 2.02 1.92 2d7iA1 GLN 304 HG2 -0.09 -0.03 -0.03 -0.04 2.40 2.21 2d7iA1 GLN 304 HG3 -0.03 0.17 -0.21 -0.04 2.39 2.28 2d7iA1 GLN 304 HE21 -0.02 -0.11 -0.01 -0.04 6.97 6.80 2d7iA1 GLN 304 HE22 -0.03 0.42 -0.06 -0.04 7.69 7.97 2d7iA1 LYS 305 H -0.02 0.10 0.14 -0.55 8.42 8.09 2d7iA1 LYS 305 HA 0.03 0.06 0.42 -0.75 4.32 4.08 2d7iA1 LYS 305 HB2 0.02 0.05 -0.01 -0.04 1.87 1.89 2d7iA1 LYS 305 HB3 0.04 -0.15 -0.01 -0.04 1.79 1.62 2d7iA1 LYS 305 HG2 0.08 0.09 0.09 -0.04 1.46 1.68 2d7iA1 LYS 305 HG3 0.11 0.17 -0.04 -0.04 1.46 1.67 2d7iA1 LYS 305 HD2 0.06 -0.12 0.05 -0.04 1.69 1.63 2d7iA1 LYS 305 HD3 0.06 0.01 0.01 -0.04 1.68 1.71 2d7iA1 LYS 305 HE2 0.10 0.11 0.06 -0.04 2.99 3.22 2d7iA1 LYS 305 HE3 0.08 -0.08 0.03 -0.04 2.99 2.98 2d7iA1 ALA 306 H 0.02 0.11 0.11 -0.55 8.40 8.10 2d7iA1 ALA 306 HA 0.01 0.08 0.34 -0.75 4.34 4.01 2d7iA1 ALA 306 HB3 0.02 -0.02 0.10 -0.04 1.41 1.46 2d7iA1 ASP 307 H 0.01 0.08 -0.12 -0.55 8.40 7.82 2d7iA1 ASP 307 HA -0.01 0.16 0.67 -0.75 4.63 4.70 2d7iA1 ASP 307 HB2 0.02 0.03 0.06 -0.04 2.71 2.79 2d7iA1 ASP 307 HB3 0.02 0.01 0.16 -0.04 2.70 2.85 2d7iA1 PRO 308 HA -0.11 0.16 0.38 -0.51 4.44 4.37 2d7iA1 PRO 308 HB2 -0.27 -0.01 0.09 -0.04 2.28 2.05 2d7iA1 PRO 308 HB3 -0.11 0.10 0.11 -0.04 2.02 2.08 2d7iA1 PRO 308 HG2 -0.72 -0.09 0.02 -0.04 2.03 1.20 2d7iA1 PRO 308 HG3 -0.06 0.04 0.08 -0.04 2.03 2.05 2d7iA1 PRO 308 HD2 -0.05 -0.03 0.30 -0.04 3.68 3.86 2d7iA1 PRO 308 HD3 -0.05 0.42 0.20 -0.04 3.65 4.18 2d7iA1 SER 309 H -0.14 -0.02 -0.79 -0.55 8.46 6.96 2d7iA1 SER 309 HA -0.02 0.16 0.68 -0.75 4.49 4.56 2d7iA1 SER 309 HB2 0.13 -0.03 0.03 -0.04 3.95 4.03 2d7iA1 SER 309 HB3 -0.02 -0.11 -0.06 -0.04 3.93 3.70 2d7iA1 ASP 310 H 0.02 0.48 -0.12 -0.55 8.40 8.24 2d7iA1 ASP 310 HA 0.09 0.09 0.65 -0.75 4.63 4.71 2d7iA1 ASP 310 HB2 0.05 0.14 0.16 -0.04 2.71 3.02 2d7iA1 ASP 310 HB3 0.09 0.14 0.04 -0.04 2.70 2.92 2d7iA1 PRO 311 HA 0.06 0.25 0.59 -0.51 4.44 4.83 2d7iA1 PRO 311 HB2 0.07 -0.03 0.06 -0.04 2.28 2.34 2d7iA1 PRO 311 HB3 0.03 0.04 0.01 -0.04 2.02 2.05 2d7iA1 PRO 311 HG2 0.07 0.01 0.08 -0.04 2.03 2.15 2d7iA1 PRO 311 HG3 0.07 0.03 0.09 -0.04 2.03 2.18 2d7iA1 PRO 311 HD2 0.09 0.04 0.24 -0.04 3.68 4.01 2d7iA1 PRO 311 HD3 0.11 0.16 0.24 -0.04 3.65 4.12 2d7iA1 PHE 312 H -0.19 0.50 0.39 -0.55 8.34 8.49 2d7iA1 PHE 312 HA 0.07 0.14 0.91 -0.75 4.62 4.98 2d7iA1 PHE 312 HB2 0.04 0.00 0.11 -0.04 3.15 3.26 2d7iA1 PHE 312 HB3 0.03 0.09 -0.09 -0.04 3.06 3.05 2d7iA1 PHE 312 HD2 0.03 0.23 -0.10 -0.04 7.28 7.40 2d7iA1 PHE 312 HE2 0.03 0.02 -0.17 -0.04 7.38 7.22 2d7iA1 PHE 312 HZ 0.03 -0.09 -0.01 -0.04 7.32 7.22 2d7iA1 GLU 313 H 0.25 0.13 0.18 -0.55 8.60 8.61 2d7iA1 GLU 313 HA 0.20 0.22 0.74 -0.75 4.29 4.69 2d7iA1 GLU 313 HB2 0.15 -0.02 0.16 -0.04 2.09 2.34 2d7iA1 GLU 313 HB3 0.25 0.04 0.07 -0.04 1.99 2.31 2d7iA1 GLU 313 HG2 0.57 0.02 0.05 -0.04 2.34 2.94 2d7iA1 GLU 313 HG3 0.25 -0.06 -0.01 -0.04 2.34 2.47 2d7iA1 SER 314 H 0.32 0.56 0.29 -0.55 8.46 9.09 2d7iA1 SER 314 HA 0.12 0.16 0.87 -0.75 4.49 4.89 2d7iA1 SER 314 HB2 0.02 0.08 -0.04 -0.04 3.95 3.97 2d7iA1 SER 314 HB3 0.09 -0.03 -0.07 -0.04 3.93 3.87 2d7iA1 PRO 315 HA 0.03 0.10 0.50 -0.51 4.44 4.56 2d7iA1 PRO 315 HB2 0.03 0.08 0.02 -0.04 2.28 2.36 2d7iA1 PRO 315 HB3 -0.30 -0.06 -0.05 -0.04 2.02 1.56 2d7iA1 PRO 315 HG2 -0.31 -0.01 0.08 -0.04 2.03 1.75 2d7iA1 PRO 315 HG3 -0.41 0.17 -0.09 -0.04 2.03 1.67 2d7iA1 PRO 315 HD2 -0.03 0.25 0.30 -0.04 3.68 4.16 2d7iA1 PRO 315 HD3 -0.06 0.18 0.15 -0.04 3.65 3.87 2d7iA1 VAL 316 H 0.20 0.19 -0.10 -0.55 8.24 7.99 2d7iA1 VAL 316 HA 0.23 0.17 0.76 -0.75 4.13 4.53 2d7iA1 VAL 316 HB 0.34 -0.07 -0.26 -0.04 2.12 2.08 2d7iA1 VAL 316 HG13 0.25 0.07 -0.19 -0.04 0.97 1.06 2d7iA1 VAL 316 HG23 0.56 0.01 -0.41 -0.04 0.95 1.07 2d7iA1 MET 317 H -0.04 0.17 0.03 -0.55 8.47 8.09 2d7iA1 MET 317 HA 0.02 0.22 0.73 -0.75 4.52 4.73 2d7iA1 MET 317 HB2 -0.12 -0.07 0.02 -0.04 2.15 1.93 2d7iA1 MET 317 HB3 -0.13 0.12 -0.07 -0.04 2.03 1.91 2d7iA1 MET 317 HG2 -0.27 0.08 -0.01 -0.04 2.63 2.39 2d7iA1 MET 317 HG3 -0.27 -0.10 -0.24 -0.04 2.56 1.91 2d7iA1 MET 317 HE3 -0.96 0.04 -0.17 -0.04 2.10 0.96 2d7iA1 ALA 318 H -0.13 0.22 0.11 -0.55 8.40 8.06 2d7iA1 ALA 318 HA -1.09 0.11 0.40 -0.75 4.34 3.00 2d7iA1 ALA 318 HB3 -0.26 0.01 0.08 -0.04 1.41 1.20 2d7iA1 GLY 319 H -0.17 0.12 -0.24 -0.55 8.43 7.60 2d7iA1 GLY 319 HA2 -0.22 0.05 0.14 -0.51 4.01 3.47 2d7iA1 GLY 319 HA3 -0.30 0.16 0.82 -0.51 4.01 4.18 2d7iA1 GLY 320 H -0.16 0.11 -0.19 -0.55 8.43 7.65 2d7iA1 GLY 320 HA2 -0.05 0.15 0.42 -0.51 4.01 4.01 2d7iA1 GLY 320 HA3 -0.10 -0.02 0.20 -0.51 4.01 3.58 2d7iA1 LEU 321 H 0.04 0.01 -0.15 -0.55 8.37 7.72 2d7iA1 LEU 321 HA 0.02 0.53 1.01 -0.75 4.35 5.15 2d7iA1 LEU 321 HB2 0.02 -0.05 0.10 -0.04 1.64 1.67 2d7iA1 LEU 321 HB3 0.04 0.10 -0.02 -0.04 1.64 1.72 2d7iA1 LEU 321 HG -0.03 0.05 -0.12 -0.04 1.64 1.49 2d7iA1 LEU 321 HD13 -0.07 0.04 -0.03 -0.04 0.93 0.82 2d7iA1 LEU 321 HD23 -0.09 -0.01 -0.36 -0.04 0.89 0.38 2d7iA1 PHE 322 H -0.06 0.46 0.26 -0.55 8.34 8.45 2d7iA1 PHE 322 HA 0.03 0.22 0.61 -0.75 4.62 4.72 2d7iA1 PHE 322 HB2 -0.01 0.11 0.02 -0.04 3.15 3.23 2d7iA1 PHE 322 HB3 -0.02 0.03 -0.19 -0.04 3.06 2.83 2d7iA1 PHE 322 HD2 -0.02 -0.01 -0.53 -0.04 7.28 6.68 2d7iA1 PHE 322 HE2 -0.10 0.06 -0.17 -0.04 7.38 7.13 2d7iA1 PHE 322 HZ -0.33 -0.03 -0.16 -0.04 7.32 6.77 2d7iA1 ALA 323 H 0.19 0.63 0.40 -0.55 8.40 9.08 2d7iA1 ALA 323 HA -0.10 0.34 1.08 -0.75 4.34 4.90 2d7iA1 ALA 323 HB3 -0.04 -0.02 -0.05 -0.04 1.41 1.26 2d7iA1 VAL 324 H -0.05 0.54 0.22 -0.55 8.24 8.41 2d7iA1 VAL 324 HA 0.14 0.19 0.76 -0.75 4.13 4.46 2d7iA1 VAL 324 HB 0.29 0.03 -0.14 -0.04 2.12 2.25 2d7iA1 VAL 324 HG13 0.09 -0.00 -0.06 -0.04 0.97 0.95 2d7iA1 VAL 324 HG23 0.22 0.08 -0.16 -0.04 0.95 1.05 2d7iA1 ASP 325 H 0.17 0.32 0.16 -0.55 8.40 8.50 2d7iA1 ASP 325 HA 0.05 0.06 0.53 -0.75 4.63 4.52 2d7iA1 ASP 325 HB2 0.07 0.16 0.24 -0.04 2.71 3.13 2d7iA1 ASP 325 HB3 0.26 0.05 0.23 -0.04 2.70 3.19 2d7iA1 ARG 326 H 0.06 0.72 0.53 -0.55 8.46 9.22 2d7iA1 ARG 326 HA 0.08 0.05 0.43 -0.75 4.34 4.15 2d7iA1 ARG 326 HB2 0.05 0.05 -0.02 -0.04 1.90 1.94 2d7iA1 ARG 326 HB3 0.13 -0.02 0.15 -0.04 1.80 2.02 2d7iA1 ARG 326 HG2 0.39 -0.06 -0.18 -0.04 1.67 1.79 2d7iA1 ARG 326 HG3 0.28 -0.06 0.02 -0.04 1.67 1.87 2d7iA1 ARG 326 HD2 0.20 0.14 -0.09 -0.04 3.22 3.44 2d7iA1 ARG 326 HD3 0.07 -0.09 -0.21 -0.04 3.22 2.94 2d7iA1 LYS 327 H 0.18 0.17 0.00 -0.55 8.42 8.22 2d7iA1 LYS 327 HA 0.30 0.08 0.38 -0.75 4.32 4.33 2d7iA1 LYS 327 HB2 0.16 -0.03 0.10 -0.04 1.87 2.06 2d7iA1 LYS 327 HB3 0.18 0.04 -0.05 -0.04 1.79 1.92 2d7iA1 LYS 327 HG2 0.14 0.02 0.03 -0.04 1.46 1.61 2d7iA1 LYS 327 HG3 0.12 0.03 0.06 -0.04 1.46 1.63 2d7iA1 LYS 327 HD2 0.07 0.00 0.01 -0.04 1.69 1.73 2d7iA1 LYS 327 HD3 0.07 0.00 0.02 -0.04 1.68 1.73 2d7iA1 LYS 327 HE2 0.11 0.01 -0.04 -0.04 2.99 3.03 2d7iA1 LYS 327 HE3 0.10 -0.00 -0.01 -0.04 2.99 3.04 2d7iA1 TRP 328 H 0.34 0.07 -0.29 -0.55 7.97 7.55 2d7iA1 TRP 328 HA 0.03 0.04 0.35 -0.75 4.62 4.29 2d7iA1 TRP 328 HB2 0.01 -0.03 0.05 -0.04 3.23 3.22 2d7iA1 TRP 328 HB3 0.02 0.11 0.06 -0.04 3.23 3.38 2d7iA1 TRP 328 HD1 -0.03 -0.03 -0.11 -0.04 7.22 7.01 2d7iA1 TRP 328 HE1 -0.12 0.23 0.06 -0.04 10.20 10.33 2d7iA1 TRP 328 HE3 0.00 -0.08 0.06 -0.04 7.59 7.52 2d7iA1 TRP 328 HZ2 -0.08 0.00 0.00 -0.04 7.44 7.32 2d7iA1 TRP 328 HZ3 -0.00 0.01 -0.02 -0.04 7.13 7.07 2d7iA1 TRP 328 HH2 -0.02 0.35 0.02 -0.04 7.19 7.50 2d7iA1 PHE 329 H 0.23 0.54 -0.32 -0.55 8.34 8.23 2d7iA1 PHE 329 HA -0.46 0.01 0.30 -0.75 4.62 3.71 2d7iA1 PHE 329 HB2 -0.19 0.07 0.01 -0.04 3.15 3.01 2d7iA1 PHE 329 HB3 -0.44 0.21 0.16 -0.04 3.06 2.95 2d7iA1 PHE 329 HD2 -1.02 0.05 -0.11 -0.04 7.28 6.16 2d7iA1 PHE 329 HE2 -0.75 -0.02 -0.12 -0.04 7.38 6.45 2d7iA1 PHE 329 HZ -0.57 -0.07 -0.15 -0.04 7.32 6.49 2d7iA1 TRP 330 H 0.12 0.47 -0.11 -0.55 7.97 7.91 2d7iA1 TRP 330 HA -0.22 -0.03 0.51 -0.75 4.62 4.13 2d7iA1 TRP 330 HB2 0.05 0.08 0.09 -0.04 3.23 3.41 2d7iA1 TRP 330 HB3 0.00 -0.04 0.00 -0.04 3.23 3.15 2d7iA1 TRP 330 HD1 0.13 0.05 -0.08 -0.04 7.22 7.28 2d7iA1 TRP 330 HE1 0.14 0.17 -0.08 -0.04 10.20 10.38 2d7iA1 TRP 330 HE3 -0.04 -0.02 -0.10 -0.04 7.59 7.39 2d7iA1 TRP 330 HZ2 0.17 -0.08 -0.69 -0.04 7.44 6.80 2d7iA1 TRP 330 HZ3 0.05 0.00 -0.11 -0.04 7.13 7.03 2d7iA1 TRP 330 HH2 0.16 -0.00 -0.06 -0.04 7.19 7.25 2d7iA1 GLU 331 H 0.13 0.56 -0.11 -0.55 8.60 8.64 2d7iA1 GLU 331 HA 0.11 -0.03 0.35 -0.75 4.29 3.97 2d7iA1 GLU 331 HB2 0.20 0.14 0.11 -0.04 2.09 2.50 2d7iA1 GLU 331 HB3 0.22 -0.00 0.03 -0.04 1.99 2.19 2d7iA1 GLU 331 HG2 0.20 -0.08 0.02 -0.04 2.34 2.43 2d7iA1 GLU 331 HG3 0.26 0.37 0.04 -0.04 2.34 2.97 2d7iA1 LEU 332 H -0.43 0.36 -0.44 -0.55 8.37 7.32 2d7iA1 LEU 332 HA -0.25 0.09 0.43 -0.75 4.35 3.88 2d7iA1 LEU 332 HB2 -0.71 0.05 -0.01 -0.04 1.64 0.93 2d7iA1 LEU 332 HB3 -0.51 -0.08 0.02 -0.04 1.64 1.04 2d7iA1 LEU 332 HG -1.52 0.24 0.03 -0.04 1.64 0.35 2d7iA1 LEU 332 HD13 -1.14 -0.04 -0.10 -0.04 0.93 -0.40 2d7iA1 LEU 332 HD23 -0.96 0.00 -0.11 -0.04 0.89 -0.21 2d7iA1 GLY 333 H -0.19 0.38 -0.55 -0.55 8.43 7.53 2d7iA1 GLY 333 HA2 0.04 0.02 0.24 -0.51 4.01 3.80 2d7iA1 GLY 333 HA3 -0.05 0.03 0.47 -0.51 4.01 3.96 2d7iA1 GLY 334 H -0.86 0.46 0.01 -0.55 8.43 7.50 2d7iA1 GLY 334 HA2 -2.34 0.01 0.19 -0.51 4.01 1.36 2d7iA1 GLY 334 HA3 -0.91 -0.07 0.31 -0.51 4.01 2.83 2d7iA1 TYR 335 H -0.05 0.08 0.13 -0.55 8.29 7.90 2d7iA1 TYR 335 HA -0.17 0.20 0.86 -0.75 4.56 4.70 2d7iA1 TYR 335 HB2 -0.05 0.01 -0.13 -0.04 3.06 2.85 2d7iA1 TYR 335 HB3 -0.09 -0.07 -0.06 -0.04 2.98 2.73 2d7iA1 TYR 335 HD2 -0.08 -0.01 -0.06 -0.04 7.15 6.96 2d7iA1 TYR 335 HE2 -0.31 0.02 -0.18 -0.04 6.85 6.34 2d7iA1 ASP 336 H 0.11 0.07 0.07 -0.55 8.40 8.10 2d7iA1 ASP 336 HA 0.07 0.19 0.48 -0.75 4.63 4.62 2d7iA1 ASP 336 HB2 0.11 0.12 0.08 -0.04 2.71 2.98 2d7iA1 ASP 336 HB3 0.06 -0.08 0.15 -0.04 2.70 2.80 2d7iA1 PRO 337 HA 0.04 0.06 0.33 -0.51 4.44 4.36 2d7iA1 PRO 337 HB2 0.04 -0.00 0.03 -0.04 2.28 2.30 2d7iA1 PRO 337 HB3 0.07 0.07 0.11 -0.04 2.02 2.23 2d7iA1 PRO 337 HG2 0.03 -0.04 0.01 -0.04 2.03 1.99 2d7iA1 PRO 337 HG3 0.05 0.06 0.06 -0.04 2.03 2.15 2d7iA1 PRO 337 HD2 0.05 -0.00 0.25 -0.04 3.68 3.94 2d7iA1 PRO 337 HD3 0.08 0.40 0.30 -0.04 3.65 4.39 2d7iA1 GLY 338 H 0.03 0.01 -0.56 -0.55 8.43 7.36 2d7iA1 GLY 338 HA2 0.00 0.09 0.41 -0.51 4.01 4.00 2d7iA1 GLY 338 HA3 0.01 -0.01 0.21 -0.51 4.01 3.71 2d7iA1 LEU 339 H -0.01 0.47 -0.26 -0.55 8.37 8.03 2d7iA1 LEU 339 HA -0.02 -0.05 0.45 -0.75 4.35 3.98 2d7iA1 LEU 339 HB2 -0.09 0.03 0.02 -0.04 1.64 1.56 2d7iA1 LEU 339 HB3 -0.09 -0.04 -0.05 -0.04 1.64 1.42 2d7iA1 LEU 339 HG 0.00 0.12 0.08 -0.04 1.64 1.80 2d7iA1 LEU 339 HD13 -0.07 -0.03 -0.07 -0.04 0.93 0.72 2d7iA1 LEU 339 HD23 -0.00 -0.00 -0.06 -0.04 0.89 0.79 2d7iA1 GLU 340 H -0.01 0.01 0.11 -0.55 8.60 8.17 2d7iA1 GLU 340 HA -0.02 0.31 0.48 -0.75 4.29 4.30 2d7iA1 GLU 340 HB2 0.02 -0.08 0.21 -0.04 2.09 2.20 2d7iA1 GLU 340 HB3 0.01 -0.04 0.15 -0.04 1.99 2.08 2d7iA1 GLU 340 HG2 -0.00 0.04 0.08 -0.04 2.34 2.42 2d7iA1 GLU 340 HG3 0.00 -0.01 0.07 -0.04 2.34 2.36 2d7iA1 ILE 341 H 0.05 0.09 0.11 -0.55 8.25 7.95 2d7iA1 ILE 341 HA -0.01 0.08 0.76 -0.75 4.18 4.26 2d7iA1 ILE 341 HB 0.10 -0.01 0.11 -0.04 1.89 2.06 2d7iA1 ILE 341 HG12 0.01 0.05 0.03 -0.04 1.49 1.54 2d7iA1 ILE 341 HG13 -0.05 -0.04 -0.03 -0.04 1.21 1.05 2d7iA1 ILE 341 HG23 0.14 -0.00 -0.17 -0.04 0.93 0.85 2d7iA1 ILE 341 HD13 -0.00 0.00 -0.14 -0.04 0.88 0.70 2d7iA1 TRP 342 H 0.23 0.23 0.10 -0.55 7.97 7.97 2d7iA1 TRP 342 HA -0.05 0.08 0.65 -0.75 4.62 4.54 2d7iA1 TRP 342 HB2 0.08 0.09 -0.29 -0.04 3.23 3.07 2d7iA1 TRP 342 HB3 0.06 -0.01 -0.06 -0.04 3.23 3.18 2d7iA1 TRP 342 HD1 0.11 0.03 0.02 -0.04 7.22 7.34 2d7iA1 TRP 342 HE1 0.06 0.05 0.00 -0.04 10.20 10.27 2d7iA1 TRP 342 HE3 0.02 -0.05 -0.46 -0.04 7.59 7.06 2d7iA1 TRP 342 HZ2 0.05 0.06 0.01 -0.04 7.44 7.51 2d7iA1 TRP 342 HZ3 0.03 -0.01 -0.03 -0.04 7.13 7.09 2d7iA1 TRP 342 HH2 0.08 0.05 0.02 -0.04 7.19 7.29 2d7iA1 GLY 343 H -1.09 0.11 0.07 -0.55 8.43 6.98 2d7iA1 GLY 343 HA2 -1.10 0.03 0.42 -0.51 4.01 2.85 2d7iA1 GLY 343 HA3 -0.20 0.18 0.56 -0.51 4.01 4.04 2d7iA1 GLY 344 H -0.44 0.20 0.13 -0.55 8.43 7.77 2d7iA1 GLY 344 HA2 -0.08 0.08 0.38 -0.51 4.01 3.88 2d7iA1 GLY 344 HA3 -0.10 0.22 0.41 -0.51 4.01 4.03 2d7iA1 GLU 345 H -0.34 0.20 -0.39 -0.55 8.60 7.53 2d7iA1 GLU 345 HA -0.11 0.10 0.43 -0.75 4.29 3.96 2d7iA1 GLU 345 HB2 -0.38 0.11 -0.15 -0.04 2.09 1.64 2d7iA1 GLU 345 HB3 -0.47 0.06 0.02 -0.04 1.99 1.56 2d7iA1 GLU 345 HG2 -0.69 0.07 -0.11 -0.04 2.34 1.56 2d7iA1 GLU 345 HG3 -0.40 0.03 -0.11 -0.04 2.34 1.82 2d7iA1 GLN 346 H -0.46 -0.01 -0.31 -0.55 8.47 7.15 2d7iA1 GLN 346 HA -0.31 0.12 0.28 -0.75 4.36 3.70 2d7iA1 GLN 346 HB2 -0.41 0.12 -0.28 -0.04 2.15 1.54 2d7iA1 GLN 346 HB3 -0.48 -0.07 0.00 -0.04 2.02 1.43 2d7iA1 GLN 346 HG2 -1.12 0.03 -0.31 -0.04 2.40 0.97 2d7iA1 GLN 346 HG3 -0.67 0.25 -0.10 -0.04 2.39 1.84 2d7iA1 GLN 346 HE21 -0.60 -0.12 0.09 -0.04 6.97 6.29 2d7iA1 GLN 346 HE22 -0.59 0.15 0.05 -0.04 7.69 7.27 2d7iA1 TYR 347 H -0.54 0.02 -0.35 -0.55 8.29 6.87 2d7iA1 TYR 347 HA -0.75 0.12 0.44 -0.75 4.56 3.62 2d7iA1 TYR 347 HB2 -0.37 0.05 0.11 -0.04 3.06 2.81 2d7iA1 TYR 347 HB3 -0.78 0.04 -0.04 -0.04 2.98 2.16 2d7iA1 TYR 347 HD2 -0.29 -0.01 -0.04 -0.04 7.15 6.77 2d7iA1 TYR 347 HE2 0.00 0.13 -0.04 -0.04 6.85 6.90 2d7iA1 GLU 348 H -0.22 0.42 -0.05 -0.55 8.60 8.21 2d7iA1 GLU 348 HA -0.35 0.04 0.33 -0.75 4.29 3.56 2d7iA1 GLU 348 HB2 -0.03 -0.04 0.08 -0.04 2.09 2.06 2d7iA1 GLU 348 HB3 -0.09 -0.02 0.17 -0.04 1.99 2.01 2d7iA1 GLU 348 HG2 -0.27 0.13 -0.40 -0.04 2.34 1.75 2d7iA1 GLU 348 HG3 0.02 0.01 -0.03 -0.04 2.34 2.29 2d7iA1 ILE 349 H -0.26 0.57 -0.08 -0.55 8.25 7.93 2d7iA1 ILE 349 HA -0.45 0.12 0.36 -0.75 4.18 3.46 2d7iA1 ILE 349 HB -0.38 -0.01 0.03 -0.04 1.89 1.48 2d7iA1 ILE 349 HG12 -0.50 -0.03 -0.12 -0.04 1.49 0.80 2d7iA1 ILE 349 HG13 -0.44 -0.03 -0.08 -0.04 1.21 0.62 2d7iA1 ILE 349 HG23 -0.39 0.02 -0.07 -0.04 0.93 0.44 2d7iA1 ILE 349 HD13 -0.63 0.01 -0.09 -0.04 0.88 0.14 2d7iA1 SER 350 H -0.36 0.41 -0.27 -0.55 8.46 7.69 2d7iA1 SER 350 HA -0.13 0.01 0.34 -0.75 4.49 3.95 2d7iA1 SER 350 HB2 -0.29 0.02 0.21 -0.04 3.95 3.85 2d7iA1 SER 350 HB3 0.16 0.26 0.15 -0.04 3.93 4.46 2d7iA1 PHE 351 H -0.50 0.60 -0.11 -0.55 8.34 7.77 2d7iA1 PHE 351 HA -0.38 -0.00 0.45 -0.75 4.62 3.93 2d7iA1 PHE 351 HB2 -0.56 0.11 0.09 -0.04 3.15 2.75 2d7iA1 PHE 351 HB3 -0.19 -0.06 0.00 -0.04 3.06 2.77 2d7iA1 PHE 351 HD2 -0.38 0.00 -0.13 -0.04 7.28 6.73 2d7iA1 PHE 351 HE2 0.02 -0.04 -0.14 -0.04 7.38 7.18 2d7iA1 PHE 351 HZ -0.52 -0.04 -0.11 -0.04 7.32 6.60 2d7iA1 LYS 352 H -0.54 0.48 -0.25 -0.55 8.42 7.56 2d7iA1 LYS 352 HA -0.70 -0.01 0.35 -0.75 4.32 3.21 2d7iA1 LYS 352 HB2 -0.53 0.10 0.19 -0.04 1.87 1.59 2d7iA1 LYS 352 HB3 -0.46 0.01 -0.09 -0.04 1.79 1.20 2d7iA1 LYS 352 HG2 -0.88 -0.03 -0.01 -0.04 1.46 0.50 2d7iA1 LYS 352 HG3 -1.33 0.02 0.01 -0.04 1.46 0.11 2d7iA1 LYS 352 HD2 -0.44 -0.10 -0.16 -0.04 1.69 0.95 2d7iA1 LYS 352 HD3 -0.36 0.12 -0.06 -0.04 1.68 1.34 2d7iA1 LYS 352 HE2 0.26 0.04 -0.07 -0.04 2.99 3.18 2d7iA1 LYS 352 HE3 0.01 -0.18 -0.11 -0.04 2.99 2.67 2d7iA1 VAL 353 H -0.24 0.55 -0.08 -0.55 8.24 7.92 2d7iA1 VAL 353 HA -0.11 0.06 0.27 -0.75 4.13 3.60 2d7iA1 VAL 353 HB -0.43 -0.01 -0.27 -0.04 2.12 1.37 2d7iA1 VAL 353 HG13 -0.04 -0.04 0.06 -0.04 0.97 0.92 2d7iA1 VAL 353 HG23 -0.27 0.01 0.04 -0.04 0.95 0.69 2d7iA1 TRP 354 H 0.25 0.35 -0.27 -0.55 7.97 7.76 2d7iA1 TRP 354 HA 0.31 0.26 0.47 -0.75 4.62 4.90 2d7iA1 TRP 354 HB2 0.46 0.07 0.16 -0.04 3.23 3.88 2d7iA1 TRP 354 HB3 0.66 -0.09 -0.02 -0.04 3.23 3.75 2d7iA1 TRP 354 HD1 0.37 0.22 0.08 -0.04 7.22 7.85 2d7iA1 TRP 354 HE1 0.12 0.34 0.16 -0.04 10.20 10.78 2d7iA1 TRP 354 HE3 0.38 0.06 0.09 -0.04 7.59 8.09 2d7iA1 TRP 354 HZ2 0.05 0.18 0.18 -0.04 7.44 7.81 2d7iA1 TRP 354 HZ3 0.16 0.01 0.05 -0.04 7.13 7.32 2d7iA1 TRP 354 HH2 0.08 0.00 0.06 -0.04 7.19 7.29 2d7iA1 MET 355 H 0.43 0.54 0.02 -0.55 8.47 8.91 2d7iA1 MET 355 HA 0.24 -0.06 0.43 -0.75 4.52 4.38 2d7iA1 MET 355 HB2 0.25 0.20 0.11 -0.04 2.15 2.67 2d7iA1 MET 355 HB3 0.32 -0.02 0.06 -0.04 2.03 2.35 2d7iA1 MET 355 HG2 0.55 -0.09 -0.04 -0.04 2.63 3.00 2d7iA1 MET 355 HG3 0.44 -0.00 0.11 -0.04 2.56 3.07 2d7iA1 MET 355 HE3 0.50 0.03 -0.14 -0.04 2.10 2.45 2d7iA1 CYS 356 H 0.16 0.46 -0.43 -0.55 8.50 8.15 2d7iA1 CYS 356 HA 0.11 0.22 1.10 -0.75 4.58 5.26 2d7iA1 CYS 356 HB2 0.10 0.04 0.12 -0.04 2.97 3.19 2d7iA1 CYS 356 HB3 0.16 0.05 0.08 -0.04 2.97 3.23 2d7iA1 GLY 357 H 0.11 0.25 -0.21 -0.55 8.43 8.04 2d7iA1 GLY 357 HA2 0.07 -0.08 0.37 -0.51 4.01 3.87 2d7iA1 GLY 357 HA3 0.12 0.11 0.64 -0.51 4.01 4.37 2d7iA1 GLY 358 H 0.29 0.36 -0.07 -0.55 8.43 8.46 2d7iA1 GLY 358 HA2 -0.05 0.01 0.82 -0.51 4.01 4.27 2d7iA1 GLY 358 HA3 0.37 0.05 0.47 -0.51 4.01 4.39 2d7iA1 ARG 359 H -0.18 0.39 0.28 -0.55 8.46 8.40 2d7iA1 ARG 359 HA -1.90 0.16 0.60 -0.75 4.34 2.44 2d7iA1 ARG 359 HB2 -0.24 -0.07 -0.10 -0.04 1.90 1.45 2d7iA1 ARG 359 HB3 -0.45 -0.05 0.05 -0.04 1.80 1.31 2d7iA1 ARG 359 HG2 0.20 0.02 -0.04 -0.04 1.67 1.81 2d7iA1 ARG 359 HG3 -0.06 0.10 -0.66 -0.04 1.67 1.01 2d7iA1 ARG 359 HD2 0.10 -0.00 -0.10 -0.04 3.22 3.19 2d7iA1 ARG 359 HD3 -0.02 -0.04 -0.15 -0.04 3.22 2.97 2d7iA1 MET 360 H -1.11 0.24 0.17 -0.55 8.47 7.23 2d7iA1 MET 360 HA -0.21 0.31 1.02 -0.75 4.52 4.89 2d7iA1 MET 360 HB2 -0.35 -0.01 -0.14 -0.04 2.15 1.60 2d7iA1 MET 360 HB3 0.23 0.18 0.11 -0.04 2.03 2.51 2d7iA1 MET 360 HG2 0.05 -0.05 -0.26 -0.04 2.63 2.33 2d7iA1 MET 360 HG3 -0.08 0.13 -0.01 -0.04 2.56 2.57 2d7iA1 MET 360 HE3 0.18 -0.01 -0.29 -0.04 2.10 1.94 2d7iA1 GLU 361 H -0.06 0.68 0.35 -0.55 8.60 9.03 2d7iA1 GLU 361 HA -0.04 0.20 1.04 -0.75 4.29 4.74 2d7iA1 GLU 361 HB2 -0.03 -0.03 -0.07 -0.04 2.09 1.91 2d7iA1 GLU 361 HB3 -0.06 0.04 -0.13 -0.04 1.99 1.80 2d7iA1 GLU 361 HG2 0.08 0.02 -0.35 -0.04 2.34 2.05 2d7iA1 GLU 361 HG3 0.02 -0.11 -0.65 -0.04 2.34 1.57 2d7iA1 ASP 362 H -0.50 0.70 0.34 -0.55 8.40 8.39 2d7iA1 ASP 362 HA -0.17 0.27 0.88 -0.75 4.63 4.85 2d7iA1 ASP 362 HB2 -1.47 0.08 0.15 -0.04 2.71 1.42 2d7iA1 ASP 362 HB3 -0.52 -0.03 -0.06 -0.04 2.70 2.05 2d7iA1 ILE 363 H -0.04 0.72 0.25 -0.55 8.25 8.62 2d7iA1 ILE 363 HA 0.01 0.19 0.89 -0.75 4.18 4.52 2d7iA1 ILE 363 HB 0.02 -0.00 0.09 -0.04 1.89 1.95 2d7iA1 ILE 363 HG12 -0.03 0.09 -0.12 -0.04 1.49 1.38 2d7iA1 ILE 363 HG13 -0.01 0.02 -0.16 -0.04 1.21 1.02 2d7iA1 ILE 363 HG23 0.03 -0.06 -0.16 -0.04 0.93 0.71 2d7iA1 ILE 363 HD13 -0.04 -0.05 -0.22 -0.04 0.88 0.54 2d7iA1 PRO 364 HA 0.17 0.03 0.38 -0.51 4.44 4.51 2d7iA1 PRO 364 HB2 0.15 0.06 0.04 -0.04 2.28 2.48 2d7iA1 PRO 364 HB3 0.16 -0.03 0.10 -0.04 2.02 2.22 2d7iA1 PRO 364 HG2 0.29 0.24 -0.14 -0.04 2.03 2.38 2d7iA1 PRO 364 HG3 0.51 -0.04 -0.02 -0.04 2.03 2.43 2d7iA1 PRO 364 HD2 0.16 0.11 -0.16 -0.04 3.68 3.75 2d7iA1 PRO 364 HD3 0.12 0.40 -0.08 -0.04 3.65 4.05 2d7iA1 CYS 365 H 0.13 0.15 -0.34 -0.55 8.50 7.89 2d7iA1 CYS 365 HA 0.16 0.01 0.52 -0.75 4.58 4.52 2d7iA1 CYS 365 HB2 0.16 0.01 -0.00 -0.04 2.97 3.09 2d7iA1 CYS 365 HB3 0.19 0.07 0.10 -0.04 2.97 3.29 2d7iA1 SER 366 H 0.10 0.53 -0.33 -0.55 8.46 8.21 2d7iA1 SER 366 HA 0.15 0.20 0.92 -0.75 4.49 5.00 2d7iA1 SER 366 HB2 0.01 -0.01 -0.05 -0.04 3.95 3.86 2d7iA1 SER 366 HB3 0.08 -0.03 0.13 -0.04 3.93 4.07 2d7iA1 ARG 367 H 0.21 0.25 0.06 -0.55 8.46 8.43 2d7iA1 ARG 367 HA 0.13 0.30 1.00 -0.75 4.34 5.01 2d7iA1 ARG 367 HB2 0.17 -0.06 -0.06 -0.04 1.90 1.91 2d7iA1 ARG 367 HB3 0.18 -0.03 -0.11 -0.04 1.80 1.80 2d7iA1 ARG 367 HG2 0.14 0.08 -0.23 -0.04 1.67 1.62 2d7iA1 ARG 367 HG3 0.15 0.02 -0.51 -0.04 1.67 1.28 2d7iA1 ARG 367 HD2 0.14 0.06 -0.17 -0.04 3.22 3.21 2d7iA1 ARG 367 HD3 0.16 -0.12 -0.26 -0.04 3.22 2.96 2d7iA1 VAL 368 H 0.07 0.67 0.23 -0.55 8.24 8.66 2d7iA1 VAL 368 HA -0.07 0.16 0.93 -0.75 4.13 4.40 2d7iA1 VAL 368 HB -0.05 -0.01 -0.05 -0.04 2.12 1.97 2d7iA1 VAL 368 HG13 -0.23 0.06 -0.27 -0.04 0.97 0.49 2d7iA1 VAL 368 HG23 -0.21 -0.00 -0.28 -0.04 0.95 0.41 2d7iA1 GLY 369 H 0.10 0.66 0.13 -0.55 8.43 8.78 2d7iA1 GLY 369 HA2 -0.12 0.07 0.48 -0.51 4.01 3.94 2d7iA1 GLY 369 HA3 0.09 0.06 0.16 -0.51 4.01 3.81 2d7iA1 HIS 370 H -0.03 0.67 0.25 -0.55 8.41 8.75 2d7iA1 HIS 370 HA -0.13 0.22 0.80 -0.75 4.63 4.76 2d7iA1 HIS 370 HB2 -0.15 0.01 -0.18 -0.04 3.26 2.91 2d7iA1 HIS 370 HB3 -0.22 0.06 -0.02 -0.04 3.20 2.96 2d7iA1 HIS 370 HD2 -0.11 -0.06 -0.08 -0.04 6.97 6.67 2d7iA1 HIS 370 HE1 -0.38 -0.09 -0.14 -0.04 7.75 7.09 2d7iA1 ILE 371 H -0.68 0.47 0.17 -0.55 8.25 7.66 2d7iA1 ILE 371 HA -0.34 0.24 0.83 -0.75 4.18 4.16 2d7iA1 ILE 371 HB -0.77 -0.07 0.14 -0.04 1.89 1.16 2d7iA1 ILE 371 HG12 -0.69 0.05 -0.18 -0.04 1.49 0.63 2d7iA1 ILE 371 HG13 -0.46 0.17 -0.11 -0.04 1.21 0.77 2d7iA1 ILE 371 HG23 -0.69 0.01 -0.25 -0.04 0.93 -0.04 2d7iA1 ILE 371 HD13 -0.89 -0.03 -0.13 -0.04 0.88 -0.21 2d7iA1 TYR 372 H 0.19 0.18 0.15 -0.55 8.29 8.26 2d7iA1 TYR 372 HA 0.17 0.04 0.63 -0.75 4.56 4.65 2d7iA1 TYR 372 HB2 0.09 -0.05 0.12 -0.04 3.06 3.18 2d7iA1 TYR 372 HB3 0.13 0.07 -0.00 -0.04 2.98 3.14 2d7iA1 TYR 372 HD2 0.10 -0.01 0.02 -0.04 7.15 7.21 2d7iA1 TYR 372 HE2 0.04 0.04 -0.13 -0.04 6.85 6.76 2d7iA1 ARG 373 H 0.11 0.07 0.14 -0.55 8.46 8.23 2d7iA1 ARG 373 HA 0.06 0.09 0.32 -0.75 4.34 4.06 2d7iA1 ARG 373 HB2 -0.01 -0.08 -0.00 -0.04 1.90 1.77 2d7iA1 ARG 373 HB3 -0.12 0.14 0.11 -0.04 1.80 1.89 2d7iA1 ARG 373 HG2 -0.00 0.09 0.08 -0.04 1.67 1.79 2d7iA1 ARG 373 HG3 -0.02 -0.04 0.11 -0.04 1.67 1.68 2d7iA1 ARG 373 HD2 -0.07 -0.10 -0.02 -0.04 3.22 2.99 2d7iA1 ARG 373 HD3 -0.11 0.17 0.15 -0.04 3.22 3.38 2d7iA1 LYS 374 H -0.21 0.81 0.44 -0.55 8.42 8.90 2d7iA1 LYS 374 HA -0.22 0.07 0.62 -0.75 4.32 4.04 2d7iA1 LYS 374 HB2 -0.94 -0.01 0.20 -0.04 1.87 1.08 2d7iA1 LYS 374 HB3 -0.31 -0.03 0.11 -0.04 1.79 1.51 2d7iA1 LYS 374 HG2 -0.08 -0.02 -0.00 -0.04 1.46 1.32 2d7iA1 LYS 374 HG3 -0.25 0.01 0.13 -0.04 1.46 1.31 2d7iA1 LYS 374 HD2 -0.13 -0.02 0.01 -0.04 1.69 1.51 2d7iA1 LYS 374 HD3 -0.53 -0.03 -0.00 -0.04 1.68 1.07 2d7iA1 LYS 374 HE2 -0.48 0.00 -0.06 -0.04 2.99 2.42 2d7iA1 LYS 374 HE3 -0.19 -0.01 -0.04 -0.04 2.99 2.71 2d7iA1 TYR 375 H -0.32 0.21 0.12 -0.55 8.29 7.76 2d7iA1 TYR 375 HA -0.10 0.09 0.31 -0.75 4.56 4.11 2d7iA1 TYR 375 HB2 -0.10 -0.01 0.09 -0.04 3.06 2.99 2d7iA1 TYR 375 HB3 -0.09 0.16 -0.00 -0.04 2.98 3.00 2d7iA1 TYR 375 HD2 -0.12 0.13 -0.43 -0.04 7.15 6.69 2d7iA1 TYR 375 HE2 -0.08 0.04 -0.15 -0.04 6.85 6.62 2d7iA1 VAL 376 H -0.00 0.14 0.09 -0.55 8.24 7.91 2d7iA1 VAL 376 HA -0.28 0.12 0.59 -0.75 4.13 3.80 2d7iA1 VAL 376 HB -0.22 0.01 0.13 -0.04 2.12 1.99 2d7iA1 VAL 376 HG13 -0.78 0.03 -0.16 -0.04 0.97 0.01 2d7iA1 VAL 376 HG23 -0.33 -0.01 -0.00 -0.04 0.95 0.56 2d7iA1 PRO 377 HA 0.07 0.12 0.60 -0.51 4.44 4.73 2d7iA1 PRO 377 HB2 -0.00 0.13 -0.10 -0.04 2.28 2.26 2d7iA1 PRO 377 HB3 -0.13 -0.08 -0.33 -0.04 2.02 1.44 2d7iA1 PRO 377 HG2 0.07 -0.18 0.20 -0.04 2.03 2.08 2d7iA1 PRO 377 HG3 -0.09 0.08 0.07 -0.04 2.03 2.05 2d7iA1 PRO 377 HD2 -0.35 -0.02 0.25 -0.04 3.68 3.53 2d7iA1 PRO 377 HD3 -0.24 0.36 0.17 -0.04 3.65 3.90 2d7iA1 TYR 378 H -0.13 0.05 0.06 -0.55 8.29 7.72 2d7iA1 TYR 378 HA 0.10 0.05 0.36 -0.75 4.56 4.32 2d7iA1 TYR 378 HB2 0.24 0.01 0.12 -0.04 3.06 3.39 2d7iA1 TYR 378 HB3 0.30 0.03 0.11 -0.04 2.98 3.38 2d7iA1 TYR 378 HD2 0.09 0.10 -0.17 -0.04 7.15 7.12 2d7iA1 TYR 378 HE2 0.05 -0.02 -0.05 -0.04 6.85 6.79 2d7iA1 LYS 379 H 0.30 0.08 0.17 -0.55 8.42 8.42 2d7iA1 LYS 379 HA 0.09 0.23 0.89 -0.75 4.32 4.77 2d7iA1 LYS 379 HB2 0.07 0.02 0.03 -0.04 1.87 1.96 2d7iA1 LYS 379 HB3 0.09 0.05 0.02 -0.04 1.79 1.91 2d7iA1 LYS 379 HG2 0.15 -0.04 -0.01 -0.04 1.46 1.53 2d7iA1 LYS 379 HG3 0.09 0.00 -0.13 -0.04 1.46 1.38 2d7iA1 LYS 379 HD2 0.15 -0.03 0.06 -0.04 1.69 1.83 2d7iA1 LYS 379 HD3 0.13 -0.01 0.01 -0.04 1.68 1.77 2d7iA1 LYS 379 HE2 0.07 -0.00 -0.02 -0.04 2.99 2.99 2d7iA1 LYS 379 HE3 0.07 0.05 -0.01 -0.04 2.99 3.06 2d7iA1 VAL 380 H 0.07 0.22 0.13 -0.55 8.24 8.10 2d7iA1 VAL 380 HA 0.07 0.18 0.94 -0.75 4.13 4.57 2d7iA1 VAL 380 HB 0.06 0.00 0.01 -0.04 2.12 2.15 2d7iA1 VAL 380 HG13 0.12 -0.01 -0.17 -0.04 0.97 0.87 2d7iA1 VAL 380 HG23 0.03 0.02 0.06 -0.04 0.95 1.03 2d7iA1 PRO 381 HA 0.03 -0.01 0.34 -0.51 4.44 4.28 2d7iA1 PRO 381 HB2 0.00 0.07 -0.07 -0.04 2.28 2.24 2d7iA1 PRO 381 HB3 0.00 0.03 0.09 -0.04 2.02 2.10 2d7iA1 PRO 381 HG2 -0.01 0.06 0.02 -0.04 2.03 2.06 2d7iA1 PRO 381 HG3 0.01 0.03 0.05 -0.04 2.03 2.08 2d7iA1 PRO 381 HD2 0.01 0.05 0.13 -0.04 3.68 3.83 2d7iA1 PRO 381 HD3 0.02 0.21 0.19 -0.04 3.65 4.03 2d7iA1 ALA 382 H 0.01 0.06 0.15 -0.55 8.40 8.07 2d7iA1 ALA 382 HA 0.01 0.07 0.54 -0.75 4.34 4.21 2d7iA1 ALA 382 HB3 0.01 0.00 0.11 -0.04 1.41 1.49 2d7iA1 GLY 383 H 0.01 0.09 0.18 -0.55 8.43 8.16 2d7iA1 GLY 383 HA2 0.00 -0.02 0.33 -0.51 4.01 3.81 2d7iA1 GLY 383 HA3 0.00 0.08 0.45 -0.51 4.01 4.03 2d7iA1 VAL 384 H 0.01 0.19 0.01 -0.55 8.24 7.90 2d7iA1 VAL 384 HA 0.01 0.11 0.72 -0.75 4.13 4.22 2d7iA1 VAL 384 HB 0.02 0.18 -0.09 -0.04 2.12 2.19 2d7iA1 VAL 384 HG13 0.04 -0.04 -0.13 -0.04 0.97 0.80 2d7iA1 VAL 384 HG23 0.01 0.03 -0.34 -0.04 0.95 0.61 2d7iA1 SER 385 H 0.01 0.26 0.18 -0.55 8.46 8.37 2d7iA1 SER 385 HA 0.05 0.24 0.77 -0.75 4.49 4.80 2d7iA1 SER 385 HB2 0.04 0.03 0.16 -0.04 3.95 4.14 2d7iA1 SER 385 HB3 0.02 0.09 -0.15 -0.04 3.93 3.84 2d7iA1 LEU 386 H 0.10 0.24 0.18 -0.55 8.37 8.34 2d7iA1 LEU 386 HA 0.14 0.14 0.48 -0.75 4.35 4.36 2d7iA1 LEU 386 HB2 0.24 0.04 0.14 -0.04 1.64 2.01 2d7iA1 LEU 386 HB3 0.15 0.03 0.10 -0.04 1.64 1.88 2d7iA1 LEU 386 HG 0.13 0.02 -0.10 -0.04 1.64 1.65 2d7iA1 LEU 386 HD13 0.23 -0.01 0.07 -0.04 0.93 1.18 2d7iA1 LEU 386 HD23 0.27 0.03 -0.00 -0.04 0.89 1.15 2d7iA1 ALA 387 H 0.04 0.05 -0.21 -0.55 8.40 7.73 2d7iA1 ALA 387 HA -0.05 0.11 0.32 -0.75 4.34 3.97 2d7iA1 ALA 387 HB3 -0.33 0.02 0.00 -0.04 1.41 1.07 2d7iA1 ARG 388 H -0.07 0.08 -0.20 -0.55 8.46 7.72 2d7iA1 ARG 388 HA -0.10 0.12 0.33 -0.75 4.34 3.94 2d7iA1 ARG 388 HB2 -0.04 -0.09 0.14 -0.04 1.90 1.88 2d7iA1 ARG 388 HB3 -0.02 0.05 -0.03 -0.04 1.80 1.76 2d7iA1 ARG 388 HG2 -0.07 0.05 0.03 -0.04 1.67 1.64 2d7iA1 ARG 388 HG3 -0.04 -0.02 0.02 -0.04 1.67 1.59 2d7iA1 ARG 388 HD2 -0.04 -0.07 0.14 -0.04 3.22 3.21 2d7iA1 ARG 388 HD3 -0.04 0.08 -0.02 -0.04 3.22 3.20 2d7iA1 ASN 389 H 0.00 0.21 -0.20 -0.55 8.53 8.00 2d7iA1 ASN 389 HA 0.00 0.05 0.38 -0.75 4.76 4.44 2d7iA1 ASN 389 HB2 0.02 0.08 0.13 -0.04 2.88 3.07 2d7iA1 ASN 389 HB3 -0.02 0.02 -0.01 -0.04 2.79 2.74 2d7iA1 ASN 389 HD21 0.06 -0.25 0.06 -0.04 7.03 6.85 2d7iA1 ASN 389 HD22 0.08 0.08 0.15 -0.04 7.74 8.00 2d7iA1 LEU 390 H 0.04 0.62 -0.02 -0.55 8.37 8.47 2d7iA1 LEU 390 HA 0.07 -0.05 0.38 -0.75 4.35 3.99 2d7iA1 LEU 390 HB2 0.14 0.11 0.15 -0.04 1.64 2.00 2d7iA1 LEU 390 HB3 0.21 0.01 -0.05 -0.04 1.64 1.77 2d7iA1 LEU 390 HG 0.04 0.00 -0.00 -0.04 1.64 1.64 2d7iA1 LEU 390 HD13 0.08 -0.01 -0.01 -0.04 0.93 0.96 2d7iA1 LEU 390 HD23 0.09 0.01 -0.08 -0.04 0.89 0.87 2d7iA1 LYS 391 H 0.01 0.75 -0.12 -0.55 8.42 8.51 2d7iA1 LYS 391 HA 0.19 -0.03 0.39 -0.75 4.32 4.11 2d7iA1 LYS 391 HB2 -0.10 0.09 0.08 -0.04 1.87 1.90 2d7iA1 LYS 391 HB3 -0.01 0.03 0.04 -0.04 1.79 1.81 2d7iA1 LYS 391 HG2 0.11 -0.05 0.05 -0.04 1.46 1.53 2d7iA1 LYS 391 HG3 -0.07 0.14 -0.01 -0.04 1.46 1.48 2d7iA1 LYS 391 HD2 0.02 -0.05 -0.04 -0.04 1.69 1.58 2d7iA1 LYS 391 HD3 0.17 -0.17 0.12 -0.04 1.68 1.75 2d7iA1 LYS 391 HE2 0.02 -0.12 0.04 -0.04 2.99 2.89 2d7iA1 LYS 391 HE3 -0.08 -0.02 0.04 -0.04 2.99 2.89 2d7iA1 ARG 392 H 0.03 0.57 -0.14 -0.55 8.46 8.37 2d7iA1 ARG 392 HA 0.04 -0.01 0.40 -0.75 4.34 4.02 2d7iA1 ARG 392 HB2 0.04 0.14 0.15 -0.04 1.90 2.18 2d7iA1 ARG 392 HB3 0.05 -0.11 0.00 -0.04 1.80 1.70 2d7iA1 ARG 392 HG2 0.01 0.12 0.07 -0.04 1.67 1.82 2d7iA1 ARG 392 HG3 0.00 0.13 0.10 -0.04 1.67 1.86 2d7iA1 ARG 392 HD2 -0.00 0.01 -0.11 -0.04 3.22 3.08 2d7iA1 ARG 392 HD3 0.01 -0.06 -0.20 -0.04 3.22 2.93 2d7iA1 VAL 393 H 0.09 0.41 -0.26 -0.55 8.24 7.93 2d7iA1 VAL 393 HA 0.26 0.06 0.54 -0.75 4.13 4.23 2d7iA1 VAL 393 HB 0.09 0.08 0.15 -0.04 2.12 2.41 2d7iA1 VAL 393 HG13 0.15 -0.03 -0.16 -0.04 0.97 0.89 2d7iA1 VAL 393 HG23 0.05 0.05 -0.02 -0.04 0.95 0.99 2d7iA1 ALA 394 H 0.11 0.75 0.07 -0.55 8.40 8.78 2d7iA1 ALA 394 HA 0.03 -0.04 0.37 -0.75 4.34 3.94 2d7iA1 ALA 394 HB3 0.05 0.01 0.08 -0.04 1.41 1.51 2d7iA1 GLU 395 H 0.10 0.62 -0.03 -0.55 8.60 8.75 2d7iA1 GLU 395 HA 0.05 0.00 0.33 -0.75 4.29 3.92 2d7iA1 GLU 395 HB2 0.04 0.10 0.09 -0.04 2.09 2.27 2d7iA1 GLU 395 HB3 0.01 -0.06 -0.01 -0.04 1.99 1.88 2d7iA1 GLU 395 HG2 0.15 0.03 0.09 -0.04 2.34 2.57 2d7iA1 GLU 395 HG3 0.05 -0.02 0.02 -0.04 2.34 2.34 2d7iA1 VAL 396 H 0.03 0.31 -0.38 -0.55 8.24 7.65 2d7iA1 VAL 396 HA -0.23 0.08 0.67 -0.75 4.13 3.90 2d7iA1 VAL 396 HB -0.13 0.10 0.09 -0.04 2.12 2.13 2d7iA1 VAL 396 HG13 -0.86 -0.02 -0.12 -0.04 0.97 -0.07 2d7iA1 VAL 396 HG23 -0.06 0.01 0.05 -0.04 0.95 0.91 2d7iA1 TRP 397 H 0.17 0.37 0.01 -0.55 7.97 7.97 2d7iA1 TRP 397 HA 0.06 0.26 1.14 -0.75 4.62 5.32 2d7iA1 TRP 397 HB2 0.16 0.02 -0.01 -0.04 3.23 3.36 2d7iA1 TRP 397 HB3 0.15 -0.02 0.03 -0.04 3.23 3.35 2d7iA1 TRP 397 HD1 0.07 0.06 0.03 -0.04 7.22 7.34 2d7iA1 TRP 397 HE1 0.01 -0.05 -0.06 -0.04 10.20 10.05 2d7iA1 TRP 397 HE3 0.12 -0.04 -0.04 -0.04 7.59 7.59 2d7iA1 TRP 397 HZ2 -0.03 0.04 -0.07 -0.04 7.44 7.34 2d7iA1 TRP 397 HZ3 0.05 0.05 -0.06 -0.04 7.13 7.13 2d7iA1 TRP 397 HH2 -0.02 0.10 -0.06 -0.04 7.19 7.17 2d7iA1 MET 398 H 0.01 0.59 0.24 -0.55 8.47 8.76 2d7iA1 MET 398 HA -1.02 0.17 0.71 -0.75 4.52 3.61 2d7iA1 MET 398 HB2 -0.16 0.09 0.13 -0.04 2.15 2.17 2d7iA1 MET 398 HB3 -0.41 -0.13 -0.00 -0.04 2.03 1.45 2d7iA1 MET 398 HG2 -1.01 0.04 -0.12 -0.04 2.63 1.50 2d7iA1 MET 398 HG3 -0.10 0.07 -0.09 -0.04 2.56 2.40 2d7iA1 MET 398 HE3 -0.10 0.00 -0.14 -0.04 2.10 1.83 2d7iA1 ASP 399 H 0.02 0.23 -0.41 -0.55 8.40 7.69 2d7iA1 ASP 399 HA 0.05 0.14 0.26 -0.75 4.63 4.33 2d7iA1 ASP 399 HB2 0.31 0.01 -0.06 -0.04 2.71 2.93 2d7iA1 ASP 399 HB3 0.15 -0.11 0.26 -0.04 2.70 2.96 2d7iA1 GLU 400 H 0.13 0.10 0.22 -0.55 8.60 8.51 2d7iA1 GLU 400 HA -0.08 0.10 0.45 -0.75 4.29 4.00 2d7iA1 GLU 400 HB2 -0.23 0.05 -0.02 -0.04 2.09 1.85 2d7iA1 GLU 400 HB3 -0.13 0.04 0.12 -0.04 1.99 1.98 2d7iA1 GLU 400 HG2 0.00 0.06 0.07 -0.04 2.34 2.43 2d7iA1 GLU 400 HG3 0.06 -0.07 0.17 -0.04 2.34 2.46 2d7iA1 TYR 401 H 0.35 0.33 -0.05 -0.55 8.29 8.37 2d7iA1 TYR 401 HA 0.05 0.04 0.45 -0.75 4.56 4.34 2d7iA1 TYR 401 HB2 -0.03 0.21 0.09 -0.04 3.06 3.29 2d7iA1 TYR 401 HB3 0.34 -0.00 0.04 -0.04 2.98 3.32 2d7iA1 TYR 401 HD2 0.20 0.01 0.02 -0.04 7.15 7.34 2d7iA1 TYR 401 HE2 0.17 -0.03 -0.03 -0.04 6.85 6.92 2d7iA1 ALA 402 H -0.06 0.44 -0.61 -0.55 8.40 7.62 2d7iA1 ALA 402 HA -0.17 0.03 0.30 -0.75 4.34 3.74 2d7iA1 ALA 402 HB3 -0.14 0.03 -0.11 -0.04 1.41 1.15 2d7iA1 GLU 403 H -0.29 0.37 -0.38 -0.55 8.60 7.76 2d7iA1 GLU 403 HA -0.23 -0.01 0.33 -0.75 4.29 3.63 2d7iA1 GLU 403 HB2 -0.20 -0.01 0.10 -0.04 2.09 1.94 2d7iA1 GLU 403 HB3 -0.55 0.17 0.11 -0.04 1.99 1.68 2d7iA1 GLU 403 HG2 -0.24 0.01 -0.03 -0.04 2.34 2.03 2d7iA1 GLU 403 HG3 -0.27 0.01 -0.23 -0.04 2.34 1.82 2d7iA1 TYR 404 H -0.47 0.30 -0.28 -0.55 8.29 7.30 2d7iA1 TYR 404 HA -0.22 0.04 0.38 -0.75 4.56 3.99 2d7iA1 TYR 404 HB2 -0.54 0.19 0.12 -0.04 3.06 2.79 2d7iA1 TYR 404 HB3 -0.73 0.05 0.11 -0.04 2.98 2.36 2d7iA1 TYR 404 HD2 -0.40 0.06 0.09 -0.04 7.15 6.87 2d7iA1 TYR 404 HE2 -0.65 -0.04 -0.08 -0.04 6.85 6.03 2d7iA1 ILE 405 H -0.15 0.38 -0.50 -0.55 8.25 7.42 2d7iA1 ILE 405 HA 0.12 0.29 0.59 -0.75 4.18 4.43 2d7iA1 ILE 405 HB -0.38 0.18 0.13 -0.04 1.89 1.78 2d7iA1 ILE 405 HG12 0.23 0.08 -0.04 -0.04 1.49 1.71 2d7iA1 ILE 405 HG13 0.15 0.06 0.03 -0.04 1.21 1.41 2d7iA1 ILE 405 HG23 -0.05 -0.03 -0.10 -0.04 0.93 0.71 2d7iA1 ILE 405 HD13 -0.01 -0.04 -0.06 -0.04 0.88 0.73 2d7iA1 TYR 406 H -0.35 0.34 -0.03 -0.55 8.29 7.70 2d7iA1 TYR 406 HA -0.05 0.13 0.37 -0.75 4.56 4.25 2d7iA1 TYR 406 HB2 -0.01 0.09 0.03 -0.04 3.06 3.12 2d7iA1 TYR 406 HB3 0.04 -0.09 -0.01 -0.04 2.98 2.88 2d7iA1 TYR 406 HD2 0.05 -0.02 -0.13 -0.04 7.15 7.01 2d7iA1 TYR 406 HE2 0.13 -0.04 -0.12 -0.04 6.85 6.78 2d7iA1 GLN 407 H 0.03 0.48 -0.29 -0.55 8.47 8.14 2d7iA1 GLN 407 HA 0.05 0.01 0.38 -0.75 4.36 4.04 2d7iA1 GLN 407 HB2 0.02 0.16 0.01 -0.04 2.15 2.30 2d7iA1 GLN 407 HB3 0.01 -0.04 0.10 -0.04 2.02 2.04 2d7iA1 GLN 407 HG2 -0.01 -0.08 -0.03 -0.04 2.40 2.23 2d7iA1 GLN 407 HG3 -0.05 0.32 -0.02 -0.04 2.39 2.60 2d7iA1 GLN 407 HE21 -0.08 -0.02 -0.05 -0.04 6.97 6.78 2d7iA1 GLN 407 HE22 -0.06 -0.04 -0.04 -0.04 7.69 7.51 2d7iA1 ARG 408 H 0.04 0.15 -0.75 -0.55 8.46 7.35 2d7iA1 ARG 408 HA 0.06 0.15 0.83 -0.75 4.34 4.63 2d7iA1 ARG 408 HB2 0.06 0.16 0.06 -0.04 1.90 2.14 2d7iA1 ARG 408 HB3 0.08 -0.10 0.01 -0.04 1.80 1.75 2d7iA1 ARG 408 HG2 0.11 -0.04 -0.03 -0.04 1.67 1.67 2d7iA1 ARG 408 HG3 0.08 -0.02 -0.29 -0.04 1.67 1.41 2d7iA1 ARG 408 HD2 0.22 0.19 0.00 -0.04 3.22 3.59 2d7iA1 ARG 408 HD3 0.24 -0.19 -0.12 -0.04 3.22 3.10 2d7iA1 ARG 409 H -0.02 0.26 -0.06 -0.55 8.46 8.08 2d7iA1 ARG 409 HA 0.01 0.15 0.85 -0.75 4.34 4.59 2d7iA1 ARG 409 HB2 -0.62 0.14 0.17 -0.04 1.90 1.55 2d7iA1 ARG 409 HB3 -0.35 -0.16 0.13 -0.04 1.80 1.38 2d7iA1 ARG 409 HG2 -0.01 0.01 0.02 -0.04 1.67 1.66 2d7iA1 ARG 409 HG3 -0.07 0.05 -0.30 -0.04 1.67 1.30 2d7iA1 ARG 409 HD2 -0.35 0.05 0.01 -0.04 3.22 2.89 2d7iA1 ARG 409 HD3 -0.08 -0.11 0.01 -0.04 3.22 2.99 2d7iA1 PRO 410 HA 0.08 0.14 0.47 -0.51 4.44 4.61 2d7iA1 PRO 410 HB2 0.05 -0.03 0.01 -0.04 2.28 2.26 2d7iA1 PRO 410 HB3 0.04 0.00 0.07 -0.04 2.02 2.09 2d7iA1 PRO 410 HG2 0.04 0.02 -0.02 -0.04 2.03 2.03 2d7iA1 PRO 410 HG3 0.05 0.16 -0.02 -0.04 2.03 2.18 2d7iA1 PRO 410 HD2 0.05 0.06 0.06 -0.04 3.68 3.80 2d7iA1 PRO 410 HD3 0.04 0.21 -0.70 -0.04 3.65 3.17 2d7iA1 GLU 411 H 0.14 0.15 -0.33 -0.55 8.60 8.01 2d7iA1 GLU 411 HA 0.08 0.07 0.37 -0.75 4.29 4.06 2d7iA1 GLU 411 HB2 0.09 0.00 0.02 -0.04 2.09 2.17 2d7iA1 GLU 411 HB3 0.10 0.01 0.04 -0.04 1.99 2.10 2d7iA1 GLU 411 HG2 0.48 0.07 -0.22 -0.04 2.34 2.63 2d7iA1 GLU 411 HG3 0.19 -0.03 -0.07 -0.04 2.34 2.39 2d7iA1 TYR 412 H 0.37 0.49 -0.39 -0.55 8.29 8.21 2d7iA1 TYR 412 HA -0.02 0.03 0.37 -0.75 4.56 4.18 2d7iA1 TYR 412 HB2 0.20 0.22 0.07 -0.04 3.06 3.51 2d7iA1 TYR 412 HB3 0.10 -0.03 -0.01 -0.04 2.98 3.01 2d7iA1 TYR 412 HD2 0.17 -0.09 -0.10 -0.04 7.15 7.09 2d7iA1 TYR 412 HE2 0.08 -0.03 -0.04 -0.04 6.85 6.81 2d7iA1 ARG 413 H -0.03 0.41 -0.34 -0.55 8.46 7.94 2d7iA1 ARG 413 HA -0.44 0.07 0.46 -0.75 4.34 3.68 2d7iA1 ARG 413 HB2 -0.01 0.01 0.16 -0.04 1.90 2.02 2d7iA1 ARG 413 HB3 -0.04 -0.03 -0.00 -0.04 1.80 1.68 2d7iA1 ARG 413 HG2 -0.17 -0.04 -0.01 -0.04 1.67 1.41 2d7iA1 ARG 413 HG3 -0.04 0.05 0.09 -0.04 1.67 1.72 2d7iA1 ARG 413 HD2 -0.00 0.01 0.04 -0.04 3.22 3.23 2d7iA1 ARG 413 HD3 -0.01 -0.04 -0.01 -0.04 3.22 3.12 2d7iA1 HIS 414 H 0.08 0.17 -0.08 -0.55 8.41 8.03 2d7iA1 HIS 414 HA -0.06 0.14 0.61 -0.75 4.63 4.57 2d7iA1 HIS 414 HB2 -0.03 -0.01 0.11 -0.04 3.26 3.29 2d7iA1 HIS 414 HB3 -0.03 -0.01 0.22 -0.04 3.20 3.34 2d7iA1 HIS 414 HD2 -0.02 -0.02 0.03 -0.04 6.97 6.92 2d7iA1 HIS 414 HE1 -0.03 -0.00 -0.03 -0.04 7.75 7.65 2d7iA1 LEU 415 H -0.08 0.46 -0.83 -0.55 8.37 7.38 2d7iA1 LEU 415 HA -0.05 0.07 0.88 -0.75 4.35 4.50 2d7iA1 LEU 415 HB2 -0.05 0.30 -0.06 -0.04 1.64 1.80 2d7iA1 LEU 415 HB3 -0.12 0.06 0.02 -0.04 1.64 1.55 2d7iA1 LEU 415 HG -0.11 0.12 -0.33 -0.04 1.64 1.28 2d7iA1 LEU 415 HD13 -0.05 -0.04 0.00 -0.04 0.93 0.80 2d7iA1 LEU 415 HD23 -0.25 -0.04 -0.17 -0.04 0.89 0.38 2d7iA1 SER 416 H -0.07 0.12 0.05 -0.55 8.46 8.01 2d7iA1 SER 416 HA -0.08 0.05 0.37 -0.75 4.49 4.08 2d7iA1 SER 416 HB2 -0.05 -0.07 0.08 -0.04 3.95 3.87 2d7iA1 SER 416 HB3 -0.06 0.05 0.11 -0.04 3.93 3.99 2d7iA1 ALA 417 H -0.05 0.18 0.18 -0.55 8.40 8.17 2d7iA1 ALA 417 HA -0.04 0.14 0.74 -0.75 4.34 4.44 2d7iA1 ALA 417 HB3 -0.02 0.02 0.01 -0.04 1.41 1.38 2d7iA1 GLY 418 H -0.04 -0.05 -0.29 -0.55 8.43 7.51 2d7iA1 GLY 418 HA2 -0.03 0.00 0.26 -0.51 4.01 3.74 2d7iA1 GLY 418 HA3 -0.02 0.13 0.39 -0.51 4.01 4.00 2d7iA1 ASP 419 H -0.02 0.16 0.15 -0.55 8.40 8.15 2d7iA1 ASP 419 HA -0.02 0.07 0.72 -0.75 4.63 4.65 2d7iA1 ASP 419 HB2 -0.02 0.03 0.10 -0.04 2.71 2.79 2d7iA1 ASP 419 HB3 -0.01 0.05 0.18 -0.04 2.70 2.88 2d7iA1 VAL 420 H -0.02 0.16 0.21 -0.55 8.24 8.04 2d7iA1 VAL 420 HA -0.01 0.22 0.89 -0.75 4.13 4.48 2d7iA1 VAL 420 HB -0.04 -0.01 0.10 -0.04 2.12 2.13 2d7iA1 VAL 420 HG13 -0.01 0.05 -0.16 -0.04 0.97 0.81 2d7iA1 VAL 420 HG23 -0.03 0.02 -0.04 -0.04 0.95 0.86 2d7iA1 ALA 421 H -0.03 0.04 0.07 -0.55 8.40 7.94 2d7iA1 ALA 421 HA -0.04 0.10 0.35 -0.75 4.34 4.00 2d7iA1 ALA 421 HB3 -0.02 0.03 0.07 -0.04 1.41 1.44 2d7iA1 VAL 422 H -0.02 0.07 -0.32 -0.55 8.24 7.42 2d7iA1 VAL 422 HA -0.01 0.10 0.36 -0.75 4.13 3.82 2d7iA1 VAL 422 HB 0.00 0.02 -0.01 -0.04 2.12 2.09 2d7iA1 VAL 422 HG13 0.01 0.03 -0.04 -0.04 0.97 0.92 2d7iA1 VAL 422 HG23 -0.00 -0.01 -0.01 -0.04 0.95 0.88 2d7iA1 GLN 423 H -0.02 0.08 -0.20 -0.55 8.47 7.78 2d7iA1 GLN 423 HA 0.00 0.13 0.46 -0.75 4.36 4.20 2d7iA1 GLN 423 HB2 -0.03 0.07 0.21 -0.04 2.15 2.36 2d7iA1 GLN 423 HB3 0.00 0.05 0.03 -0.04 2.02 2.06 2d7iA1 GLN 423 HG2 0.02 -0.07 0.09 -0.04 2.40 2.39 2d7iA1 GLN 423 HG3 0.05 0.00 0.06 -0.04 2.39 2.46 2d7iA1 GLN 423 HE21 0.08 0.17 -0.07 -0.04 6.97 7.11 2d7iA1 GLN 423 HE22 0.14 0.02 -0.00 -0.04 7.69 7.81 2d7iA1 LYS 424 H -0.09 0.58 0.04 -0.55 8.42 8.39 2d7iA1 LYS 424 HA -0.27 0.08 0.43 -0.75 4.32 3.81 2d7iA1 LYS 424 HB2 -0.09 0.03 0.07 -0.04 1.87 1.84 2d7iA1 LYS 424 HB3 -0.12 -0.01 0.03 -0.04 1.79 1.65 2d7iA1 LYS 424 HG2 -0.17 0.08 0.06 -0.04 1.46 1.38 2d7iA1 LYS 424 HG3 -0.10 0.01 -0.04 -0.04 1.46 1.28 2d7iA1 LYS 424 HD2 -0.06 -0.09 -0.07 -0.04 1.69 1.43 2d7iA1 LYS 424 HD3 -0.08 0.02 -0.01 -0.04 1.68 1.57 2d7iA1 LYS 424 HE2 -0.07 0.19 -0.08 -0.04 2.99 2.99 2d7iA1 LYS 424 HE3 -0.06 -0.08 -0.11 -0.04 2.99 2.70 2d7iA1 LYS 425 H -0.06 0.37 -0.48 -0.55 8.42 7.69 2d7iA1 LYS 425 HA -0.05 -0.03 0.42 -0.75 4.32 3.90 2d7iA1 LYS 425 HB2 -0.03 -0.05 0.11 -0.04 1.87 1.86 2d7iA1 LYS 425 HB3 -0.03 0.29 0.17 -0.04 1.79 2.18 2d7iA1 LYS 425 HG2 -0.01 0.04 -0.20 -0.04 1.46 1.25 2d7iA1 LYS 425 HG3 -0.02 -0.07 0.04 -0.04 1.46 1.38 2d7iA1 LYS 425 HD2 -0.01 -0.08 -0.01 -0.04 1.69 1.55 2d7iA1 LYS 425 HD3 -0.01 0.06 -0.01 -0.04 1.68 1.68 2d7iA1 LYS 425 HE2 0.00 0.05 -0.04 -0.04 2.99 2.96 2d7iA1 LYS 425 HE3 -0.00 -0.04 -0.01 -0.04 2.99 2.89 2d7iA1 LEU 426 H -0.05 0.38 -0.22 -0.55 8.37 7.93 2d7iA1 LEU 426 HA 0.01 0.03 0.47 -0.75 4.35 4.10 2d7iA1 LEU 426 HB2 0.03 -0.06 0.13 -0.04 1.64 1.69 2d7iA1 LEU 426 HB3 0.02 0.15 0.24 -0.04 1.64 2.01 2d7iA1 LEU 426 HG 0.13 0.00 -0.28 -0.04 1.64 1.46 2d7iA1 LEU 426 HD13 0.04 -0.00 -0.07 -0.04 0.93 0.86 2d7iA1 LEU 426 HD23 0.09 0.10 -0.02 -0.04 0.89 1.02 2d7iA1 ARG 427 H -0.20 0.37 -0.04 -0.55 8.46 8.04 2d7iA1 ARG 427 HA -0.02 0.10 0.34 -0.75 4.34 4.01 2d7iA1 ARG 427 HB2 -1.25 -0.00 0.10 -0.04 1.90 0.70 2d7iA1 ARG 427 HB3 -0.45 0.06 0.19 -0.04 1.80 1.56 2d7iA1 ARG 427 HG2 -0.20 -0.06 -0.24 -0.04 1.67 1.14 2d7iA1 ARG 427 HG3 -0.28 0.00 0.03 -0.04 1.67 1.37 2d7iA1 ARG 427 HD2 -1.18 0.03 0.09 -0.04 3.22 2.12 2d7iA1 ARG 427 HD3 -0.51 0.02 0.11 -0.04 3.22 2.80 2d7iA1 SER 428 H -0.10 0.42 -0.13 -0.55 8.46 8.10 2d7iA1 SER 428 HA -0.03 0.02 0.54 -0.75 4.49 4.27 2d7iA1 SER 428 HB2 -0.02 -0.06 0.07 -0.04 3.95 3.90 2d7iA1 SER 428 HB3 -0.06 -0.03 0.12 -0.04 3.93 3.93 2d7iA1 SER 429 H -0.01 0.44 -0.22 -0.55 8.46 8.13 2d7iA1 SER 429 HA 0.01 -0.03 0.44 -0.75 4.49 4.16 2d7iA1 SER 429 HB2 0.02 -0.10 0.14 -0.04 3.95 3.97 2d7iA1 SER 429 HB3 0.01 0.01 0.17 -0.04 3.93 4.07 2d7iA1 LEU 430 H 0.04 0.26 -0.60 -0.55 8.37 7.52 2d7iA1 LEU 430 HA 0.08 0.12 0.76 -0.75 4.35 4.55 2d7iA1 LEU 430 HB2 0.14 0.06 0.05 -0.04 1.64 1.85 2d7iA1 LEU 430 HB3 0.13 -0.00 0.01 -0.04 1.64 1.74 2d7iA1 LEU 430 HG 0.07 -0.00 -0.09 -0.04 1.64 1.58 2d7iA1 LEU 430 HD13 0.11 -0.01 -0.06 -0.04 0.93 0.93 2d7iA1 LEU 430 HD23 0.09 0.05 -0.02 -0.04 0.89 0.98 2d7iA1 ASN 431 H 0.04 0.25 -0.18 -0.55 8.53 8.09 2d7iA1 ASN 431 HA 0.03 -0.06 0.40 -0.75 4.76 4.37 2d7iA1 ASN 431 HB2 0.03 0.21 0.20 -0.04 2.88 3.29 2d7iA1 ASN 431 HB3 0.01 -0.11 0.13 -0.04 2.79 2.78 2d7iA1 ASN 431 HD21 0.02 -0.07 -0.06 -0.04 7.03 6.88 2d7iA1 ASN 431 HD22 0.03 0.04 -0.11 -0.04 7.74 7.66 2d7iA1 CYS 432 H 0.06 0.07 0.11 -0.55 8.50 8.20 2d7iA1 CYS 432 HA 0.06 0.32 0.91 -0.75 4.58 5.11 2d7iA1 CYS 432 HB2 0.23 -0.08 -0.01 -0.04 2.97 3.07 2d7iA1 CYS 432 HB3 0.27 -0.02 -0.14 -0.04 2.97 3.04 2d7iA1 LYS 433 H -0.05 0.66 0.37 -0.55 8.42 8.84 2d7iA1 LYS 433 HA -0.09 0.03 0.56 -0.75 4.32 4.06 2d7iA1 LYS 433 HB2 -0.24 0.03 0.12 -0.04 1.87 1.74 2d7iA1 LYS 433 HB3 -0.33 -0.22 0.21 -0.04 1.79 1.41 2d7iA1 LYS 433 HG2 -0.53 0.19 0.17 -0.04 1.46 1.25 2d7iA1 LYS 433 HG3 -2.00 0.02 0.07 -0.04 1.46 -0.49 2d7iA1 LYS 433 HD2 -0.73 -0.12 0.06 -0.04 1.69 0.87 2d7iA1 LYS 433 HD3 -0.33 0.01 0.01 -0.04 1.68 1.34 2d7iA1 LYS 433 HE2 -0.73 -0.01 0.02 -0.04 2.99 2.23 2d7iA1 LYS 433 HE3 -0.28 -0.06 0.01 -0.04 2.99 2.63 2d7iA1 SER 434 H 0.15 0.03 0.20 -0.55 8.46 8.29 2d7iA1 SER 434 HA 0.21 0.24 0.56 -0.75 4.49 4.74 2d7iA1 SER 434 HB2 0.22 -0.10 0.21 -0.04 3.95 4.24 2d7iA1 SER 434 HB3 0.16 0.14 0.17 -0.04 3.93 4.36 2d7iA1 PHE 435 H 0.37 0.16 0.18 -0.55 8.34 8.50 2d7iA1 PHE 435 HA 0.20 0.20 0.52 -0.75 4.62 4.78 2d7iA1 PHE 435 HB2 0.11 0.46 0.20 -0.04 3.15 3.87 2d7iA1 PHE 435 HB3 0.16 -0.14 -0.04 -0.04 3.06 3.00 2d7iA1 PHE 435 HD2 -0.41 0.04 -0.08 -0.04 7.28 6.79 2d7iA1 PHE 435 HE2 -1.41 0.03 -0.06 -0.04 7.38 5.90 2d7iA1 PHE 435 HZ -0.10 0.03 -0.08 -0.04 7.32 7.13 2d7iA1 LYS 436 H 0.33 0.03 -0.11 -0.55 8.42 8.11 2d7iA1 LYS 436 HA 0.27 0.10 0.36 -0.75 4.32 4.30 2d7iA1 LYS 436 HB2 0.31 -0.03 0.12 -0.04 1.87 2.23 2d7iA1 LYS 436 HB3 0.24 -0.03 0.05 -0.04 1.79 2.01 2d7iA1 LYS 436 HG2 0.17 0.03 -0.02 -0.04 1.46 1.60 2d7iA1 LYS 436 HG3 0.17 0.04 -0.12 -0.04 1.46 1.52 2d7iA1 LYS 436 HD2 0.48 0.01 0.04 -0.04 1.69 2.18 2d7iA1 LYS 436 HD3 0.34 -0.05 0.02 -0.04 1.68 1.95 2d7iA1 LYS 436 HE2 0.12 0.00 -0.01 -0.04 2.99 3.06 2d7iA1 LYS 436 HE3 0.15 0.04 -0.02 -0.04 2.99 3.12 2d7iA1 TRP 437 H 0.36 0.03 -0.33 -0.55 7.97 7.49 2d7iA1 TRP 437 HA 0.02 0.04 0.32 -0.75 4.62 4.25 2d7iA1 TRP 437 HB2 0.07 -0.09 0.12 -0.04 3.23 3.29 2d7iA1 TRP 437 HB3 0.09 0.29 0.11 -0.04 3.23 3.68 2d7iA1 TRP 437 HD1 0.04 -0.04 0.02 -0.04 7.22 7.20 2d7iA1 TRP 437 HE1 0.05 0.02 -0.02 -0.04 10.20 10.21 2d7iA1 TRP 437 HE3 0.17 0.01 -0.14 -0.04 7.59 7.59 2d7iA1 TRP 437 HZ2 0.12 0.02 -0.04 -0.04 7.44 7.50 2d7iA1 TRP 437 HZ3 0.38 -0.05 -0.41 -0.04 7.13 7.01 2d7iA1 TRP 437 HH2 0.38 0.13 -0.06 -0.04 7.19 7.61 2d7iA1 PHE 438 H 0.35 0.30 -0.29 -0.55 8.34 8.15 2d7iA1 PHE 438 HA -0.66 0.05 0.37 -0.75 4.62 3.63 2d7iA1 PHE 438 HB2 0.05 0.07 0.11 -0.04 3.15 3.33 2d7iA1 PHE 438 HB3 -0.80 0.12 0.19 -0.04 3.06 2.53 2d7iA1 PHE 438 HD2 -0.56 0.01 -0.06 -0.04 7.28 6.63 2d7iA1 PHE 438 HE2 0.11 0.07 -0.05 -0.04 7.38 7.47 2d7iA1 PHE 438 HZ 0.29 0.07 -0.15 -0.04 7.32 7.49 2d7iA1 MET 439 H -0.40 0.61 -0.09 -0.55 8.47 8.04 2d7iA1 MET 439 HA -0.46 -0.01 0.36 -0.75 4.52 3.65 2d7iA1 MET 439 HB2 -0.25 0.04 0.13 -0.04 2.15 2.03 2d7iA1 MET 439 HB3 -0.11 0.01 -0.04 -0.04 2.03 1.85 2d7iA1 MET 439 HG2 -0.87 0.08 0.01 -0.04 2.63 1.81 2d7iA1 MET 439 HG3 -0.73 -0.06 -0.01 -0.04 2.56 1.72 2d7iA1 MET 439 HE3 0.17 0.03 0.01 -0.04 2.10 2.27 2d7iA1 THR 440 H -0.23 0.52 -0.18 -0.55 8.28 7.84 2d7iA1 THR 440 HA -0.07 0.11 0.59 -0.75 4.39 4.28 2d7iA1 THR 440 HB -0.11 0.01 0.09 -0.04 4.32 4.27 2d7iA1 THR 440 HG23 -0.07 -0.01 -0.10 -0.04 1.22 0.99 2d7iA1 LYS 441 H -0.65 0.73 0.09 -0.55 8.42 8.05 2d7iA1 LYS 441 HA -0.25 0.20 0.97 -0.75 4.32 4.48 2d7iA1 LYS 441 HB2 -1.41 0.06 0.04 -0.04 1.87 0.51 2d7iA1 LYS 441 HB3 -0.42 -0.01 0.08 -0.04 1.79 1.40 2d7iA1 LYS 441 HG2 -0.41 -0.05 -0.02 -0.04 1.46 0.94 2d7iA1 LYS 441 HG3 -0.11 -0.03 -0.00 -0.04 1.46 1.28 2d7iA1 LYS 441 HD2 -0.14 0.01 0.01 -0.04 1.69 1.53 2d7iA1 LYS 441 HD3 -0.20 0.14 -0.35 -0.04 1.68 1.23 2d7iA1 LYS 441 HE2 -0.07 0.00 -0.05 -0.04 2.99 2.83 2d7iA1 LYS 441 HE3 -0.03 -0.06 -0.07 -0.04 2.99 2.80 2d7iA1 ILE 442 H -0.79 0.37 0.01 -0.55 8.25 7.29 2d7iA1 ILE 442 HA -0.67 0.22 1.02 -0.75 4.18 3.99 2d7iA1 ILE 442 HB -1.55 0.11 0.23 -0.04 1.89 0.65 2d7iA1 ILE 442 HG12 -1.53 -0.08 -0.09 -0.04 1.49 -0.24 2d7iA1 ILE 442 HG13 -0.81 -0.00 -0.03 -0.04 1.21 0.33 2d7iA1 ILE 442 HG23 -1.52 -0.01 -0.07 -0.04 0.93 -0.71 2d7iA1 ILE 442 HD13 -0.87 0.06 -0.16 -0.04 0.88 -0.13 2d7iA1 ALA 443 H -0.95 0.58 0.18 -0.55 8.40 7.66 2d7iA1 ALA 443 HA -0.58 0.17 0.82 -0.75 4.34 4.00 2d7iA1 ALA 443 HB3 -0.57 -0.02 0.12 -0.04 1.41 0.91 2d7iA1 TRP 444 H -0.35 0.20 -0.63 -0.55 7.97 6.64 2d7iA1 TRP 444 HA -0.19 0.29 0.43 -0.75 4.62 4.39 2d7iA1 TRP 444 HB2 -0.14 -0.07 0.09 -0.04 3.23 3.06 2d7iA1 TRP 444 HB3 -0.24 0.29 -0.04 -0.04 3.23 3.20 2d7iA1 TRP 444 HD1 -0.29 0.10 -0.35 -0.04 7.22 6.63 2d7iA1 TRP 444 HE1 -0.15 0.03 -0.04 -0.04 10.20 10.00 2d7iA1 TRP 444 HE3 -0.08 -0.00 -0.43 -0.04 7.59 7.04 2d7iA1 TRP 444 HZ2 -0.06 -0.00 -0.06 -0.04 7.44 7.27 2d7iA1 TRP 444 HZ3 -0.05 -0.02 -0.06 -0.04 7.13 6.96 2d7iA1 TRP 444 HH2 -0.04 -0.09 -0.02 -0.04 7.19 6.99 2d7iA1 ASP 445 H -0.88 0.10 -0.39 -0.55 8.40 6.69 2d7iA1 ASP 445 HA -0.08 0.16 0.70 -0.75 4.63 4.66 2d7iA1 ASP 445 HB2 -0.28 0.00 0.08 -0.04 2.71 2.47 2d7iA1 ASP 445 HB3 -1.47 -0.01 0.02 -0.04 2.70 1.20 2d7iA1 LEU 446 H -0.22 0.44 -0.22 -0.55 8.37 7.81 2d7iA1 LEU 446 HA 0.01 0.01 0.37 -0.75 4.35 3.99 2d7iA1 LEU 446 HB2 -0.29 -0.04 0.15 -0.04 1.64 1.42 2d7iA1 LEU 446 HB3 -0.16 0.19 0.17 -0.04 1.64 1.79 2d7iA1 LEU 446 HG -0.25 -0.07 0.07 -0.04 1.64 1.35 2d7iA1 LEU 446 HD13 -1.18 0.01 0.06 -0.04 0.93 -0.23 2d7iA1 LEU 446 HD23 -0.19 0.01 -0.28 -0.04 0.89 0.40 2d7iA1 PRO 447 HA 0.19 0.22 -0.04 -0.51 4.44 4.30 2d7iA1 PRO 447 HB2 0.03 -0.00 -0.01 -0.04 2.28 2.26 2d7iA1 PRO 447 HB3 0.14 -0.01 0.08 -0.04 2.02 2.19 2d7iA1 PRO 447 HG2 0.06 0.10 -0.09 -0.04 2.03 2.06 2d7iA1 PRO 447 HG3 0.07 0.03 0.01 -0.04 2.03 2.10 2d7iA1 PRO 447 HD2 -0.01 0.05 -0.39 -0.04 3.68 3.28 2d7iA1 PRO 447 HD3 0.04 0.13 0.08 -0.04 3.65 3.86 2d7iA1 LYS 448 H 0.02 0.30 -0.81 -0.55 8.42 7.37 2d7iA1 LYS 448 HA -0.10 0.03 0.38 -0.75 4.32 3.88 2d7iA1 LYS 448 HB2 -0.08 -0.01 0.06 -0.04 1.87 1.79 2d7iA1 LYS 448 HB3 -0.38 0.12 0.06 -0.04 1.79 1.55 2d7iA1 LYS 448 HG2 -0.57 -0.00 -0.06 -0.04 1.46 0.79 2d7iA1 LYS 448 HG3 -0.16 -0.04 0.04 -0.04 1.46 1.26 2d7iA1 LYS 448 HD2 -0.35 0.03 -0.00 -0.04 1.69 1.33 2d7iA1 LYS 448 HD3 -0.16 -0.06 0.00 -0.04 1.68 1.43 2d7iA1 LYS 448 HE2 0.08 -0.03 0.02 -0.04 2.99 3.01 2d7iA1 LYS 448 HE3 0.02 0.08 0.07 -0.04 2.99 3.11 2d7iA1 PHE 449 H 0.14 0.30 -0.09 -0.55 8.34 8.13 2d7iA1 PHE 449 HA -0.05 0.17 0.85 -0.75 4.62 4.83 2d7iA1 PHE 449 HB2 -0.50 0.03 0.00 -0.04 3.15 2.65 2d7iA1 PHE 449 HB3 -0.66 -0.08 0.04 -0.04 3.06 2.32 2d7iA1 PHE 449 HD2 -0.12 0.07 0.06 -0.04 7.28 7.24 2d7iA1 PHE 449 HE2 -0.09 0.05 0.02 -0.04 7.38 7.32 2d7iA1 PHE 449 HZ -0.06 -0.02 -0.00 -0.04 7.32 7.19 2d7iA1 TYR 450 H 0.15 0.45 -0.05 -0.55 8.29 8.29 2d7iA1 TYR 450 HA 0.28 0.16 0.76 -0.75 4.56 5.01 2d7iA1 TYR 450 HB2 -0.09 0.08 0.12 -0.04 3.06 3.13 2d7iA1 TYR 450 HB3 0.04 -0.19 0.09 -0.04 2.98 2.88 2d7iA1 TYR 450 HD2 0.03 0.03 -0.05 -0.04 7.15 7.12 2d7iA1 TYR 450 HE2 -0.07 -0.01 -0.15 -0.04 6.85 6.57 2d7iA1 PRO 451 HA 0.04 0.07 0.54 -0.51 4.44 4.57 2d7iA1 PRO 451 HB2 -0.33 0.05 -0.15 -0.04 2.28 1.81 2d7iA1 PRO 451 HB3 -0.32 0.19 0.08 -0.04 2.02 1.93 2d7iA1 PRO 451 HG2 -0.35 -0.10 -0.11 -0.04 2.03 1.42 2d7iA1 PRO 451 HG3 -1.30 0.03 -0.02 -0.04 2.03 0.71 2d7iA1 PRO 451 HD2 0.18 0.08 -0.08 -0.04 3.68 3.82 2d7iA1 PRO 451 HD3 -0.11 0.24 -0.38 -0.04 3.65 3.35 2d7iA1 PRO 452 HA -1.56 0.05 0.37 -0.51 4.44 2.79 2d7iA1 PRO 452 HB2 -2.19 -0.02 0.00 -0.04 2.28 0.04 2d7iA1 PRO 452 HB3 -1.81 -0.00 0.11 -0.04 2.02 0.28 2d7iA1 PRO 452 HG2 -0.45 0.01 0.06 -0.04 2.03 1.61 2d7iA1 PRO 452 HG3 -0.38 0.01 0.07 -0.04 2.03 1.68 2d7iA1 PRO 452 HD2 -0.09 0.11 0.24 -0.04 3.68 3.90 2d7iA1 PRO 452 HD3 0.11 0.16 0.20 -0.04 3.65 4.08 2d7iA1 VAL 453 H -0.32 0.14 -0.54 -0.55 8.24 6.98 2d7iA1 VAL 453 HA -0.16 0.14 0.78 -0.75 4.13 4.14 2d7iA1 VAL 453 HB -0.17 -0.04 0.03 -0.04 2.12 1.90 2d7iA1 VAL 453 HG13 -0.11 0.01 -0.15 -0.04 0.97 0.68 2d7iA1 VAL 453 HG23 -0.09 -0.02 -0.20 -0.04 0.95 0.60 2d7iA1 GLU 454 H -0.14 0.12 0.00 -0.55 8.60 8.03 2d7iA1 GLU 454 HA -0.64 0.13 0.47 -0.75 4.29 3.49 2d7iA1 GLU 454 HB2 -0.07 -0.06 0.11 -0.04 2.09 2.03 2d7iA1 GLU 454 HB3 -0.17 0.06 -0.00 -0.04 1.99 1.83 2d7iA1 GLU 454 HG2 -0.10 0.05 -0.01 -0.04 2.34 2.24 2d7iA1 GLU 454 HG3 0.00 0.06 -0.03 -0.04 2.34 2.33 2d7iA1 PRO 455 HA -0.17 0.05 0.44 -0.51 4.44 4.25 2d7iA1 PRO 455 HB2 -0.05 0.00 0.07 -0.04 2.28 2.25 2d7iA1 PRO 455 HB3 -0.09 -0.00 0.13 -0.04 2.02 2.02 2d7iA1 PRO 455 HG2 -0.41 0.04 0.10 -0.04 2.03 1.72 2d7iA1 PRO 455 HG3 -0.33 0.04 0.11 -0.04 2.03 1.82 2d7iA1 PRO 455 HD2 -2.03 0.03 0.19 -0.04 3.68 1.83 2d7iA1 PRO 455 HD3 -0.91 0.21 0.27 -0.04 3.65 3.17 2d7iA1 PRO 456 HA -0.06 0.03 0.40 -0.51 4.44 4.30 2d7iA1 PRO 456 HB2 -0.02 0.09 0.03 -0.04 2.28 2.33 2d7iA1 PRO 456 HB3 -0.06 -0.01 0.12 -0.04 2.02 2.03 2d7iA1 PRO 456 HG2 0.04 0.04 -0.00 -0.04 2.03 2.06 2d7iA1 PRO 456 HG3 0.00 -0.01 0.05 -0.04 2.03 2.03 2d7iA1 PRO 456 HD2 -0.04 0.08 0.21 -0.04 3.68 3.89 2d7iA1 PRO 456 HD3 -0.06 0.12 0.19 -0.04 3.65 3.86 2d7iA1 ALA 457 H -0.12 0.04 0.09 -0.55 8.40 7.86 2d7iA1 ALA 457 HA 0.15 0.13 0.52 -0.75 4.34 4.38 2d7iA1 ALA 457 HB3 -0.01 0.00 -0.09 -0.04 1.41 1.27 2d7iA1 ALA 458 H 0.24 0.64 0.20 -0.55 8.40 8.94 2d7iA1 ALA 458 HA 0.18 0.06 0.58 -0.75 4.34 4.41 2d7iA1 ALA 458 HB3 0.18 0.01 0.07 -0.04 1.41 1.63 2d7iA1 ALA 459 H 0.16 0.27 0.20 -0.55 8.40 8.48 2d7iA1 ALA 459 HA 0.14 0.18 0.65 -0.75 4.34 4.55 2d7iA1 ALA 459 HB3 -0.78 0.01 -0.03 -0.04 1.41 0.56 2d7iA1 TRP 460 H -0.13 0.32 0.15 -0.55 7.97 7.76 2d7iA1 TRP 460 HA 0.28 0.33 0.77 -0.75 4.62 5.26 2d7iA1 TRP 460 HB2 0.13 0.07 0.18 -0.04 3.23 3.56 2d7iA1 TRP 460 HB3 0.10 0.00 -0.14 -0.04 3.23 3.15 2d7iA1 TRP 460 HD1 0.16 -0.02 -0.13 -0.04 7.22 7.19 2d7iA1 TRP 460 HE1 -0.08 0.01 -0.05 -0.04 10.20 10.04 2d7iA1 TRP 460 HE3 0.06 -0.18 -0.65 -0.04 7.59 6.78 2d7iA1 TRP 460 HZ2 -0.12 0.01 -0.02 -0.04 7.44 7.27 2d7iA1 TRP 460 HZ3 0.05 0.21 -0.42 -0.04 7.13 6.93 2d7iA1 TRP 460 HH2 0.03 0.09 -0.02 -0.04 7.19 7.24 2d7iA1 GLY 461 H 0.34 0.64 0.41 -0.55 8.43 9.28 2d7iA1 GLY 461 HA2 0.15 0.00 0.40 -0.51 4.01 4.05 2d7iA1 GLY 461 HA3 -0.06 0.10 1.09 -0.51 4.01 4.63 2d7iA1 GLU 462 H -0.06 0.08 0.25 -0.55 8.60 8.33 2d7iA1 GLU 462 HA 0.07 0.47 0.82 -0.75 4.29 4.89 2d7iA1 GLU 462 HB2 0.01 -0.01 0.06 -0.04 2.09 2.11 2d7iA1 GLU 462 HB3 0.00 -0.07 0.15 -0.04 1.99 2.03 2d7iA1 GLU 462 HG2 -0.07 -0.05 0.13 -0.04 2.34 2.31 2d7iA1 GLU 462 HG3 -0.07 0.07 -0.07 -0.04 2.34 2.23 2d7iA1 ILE 463 H 0.01 0.23 0.14 -0.55 8.25 8.08 2d7iA1 ILE 463 HA -0.42 0.34 0.85 -0.75 4.18 4.20 2d7iA1 ILE 463 HB -0.37 -0.04 0.15 -0.04 1.89 1.59 2d7iA1 ILE 463 HG12 -2.01 0.02 -0.29 -0.04 1.49 -0.83 2d7iA1 ILE 463 HG13 -0.46 -0.00 -0.34 -0.04 1.21 0.37 2d7iA1 ILE 463 HG23 -0.42 -0.00 -0.26 -0.04 0.93 0.21 2d7iA1 ILE 463 HD13 -0.70 0.00 -0.20 -0.04 0.88 -0.06 2d7iA1 ARG 464 H -0.02 0.65 0.14 -0.55 8.46 8.68 2d7iA1 ARG 464 HA 0.08 0.16 0.97 -0.75 4.34 4.79 2d7iA1 ARG 464 HB2 -0.01 -0.12 -0.10 -0.04 1.90 1.63 2d7iA1 ARG 464 HB3 -0.01 0.01 -0.00 -0.04 1.80 1.76 2d7iA1 ARG 464 HG2 -0.04 0.04 -0.45 -0.04 1.67 1.18 2d7iA1 ARG 464 HG3 -0.01 0.07 -0.39 -0.04 1.67 1.29 2d7iA1 ARG 464 HD2 -0.03 -0.05 -0.14 -0.04 3.22 2.96 2d7iA1 ARG 464 HD3 -0.03 0.15 -0.08 -0.04 3.22 3.22 2d7iA1 ASN 465 H -0.01 0.57 0.14 -0.55 8.53 8.69 2d7iA1 ASN 465 HA -0.57 0.26 0.74 -0.75 4.76 4.43 2d7iA1 ASN 465 HB2 -1.20 0.04 -0.07 -0.04 2.88 1.61 2d7iA1 ASN 465 HB3 -0.35 -0.10 0.06 -0.04 2.79 2.36 2d7iA1 ASN 465 HD21 -0.86 -0.30 -0.30 -0.04 7.03 5.54 2d7iA1 ASN 465 HD22 -1.88 0.22 -0.23 -0.04 7.74 5.81 2d7iA1 VAL 466 H -0.28 0.60 0.21 -0.55 8.24 8.22 2d7iA1 VAL 466 HA -0.11 0.02 0.26 -0.75 4.13 3.55 2d7iA1 VAL 466 HB -0.16 0.04 0.17 -0.04 2.12 2.12 2d7iA1 VAL 466 HG13 -0.07 -0.01 -0.03 -0.04 0.97 0.82 2d7iA1 VAL 466 HG23 -0.08 0.04 -0.11 -0.04 0.95 0.77 2d7iA1 GLY 467 H -0.28 0.35 -0.17 -0.55 8.43 7.77 2d7iA1 GLY 467 HA2 -0.12 0.03 0.32 -0.51 4.01 3.74 2d7iA1 GLY 467 HA3 -0.17 -0.12 0.06 -0.51 4.01 3.27 2d7iA1 THR 468 H -0.18 0.09 -0.00 -0.55 8.28 7.64 2d7iA1 THR 468 HA -0.08 0.10 0.43 -0.75 4.39 4.09 2d7iA1 THR 468 HB -0.07 0.03 0.12 -0.04 4.32 4.36 2d7iA1 THR 468 HG23 -0.09 0.02 0.04 -0.04 1.22 1.15 2d7iA1 GLY 469 H -0.12 0.32 -0.72 -0.55 8.43 7.36 2d7iA1 GLY 469 HA2 -0.07 0.08 0.20 -0.51 4.01 3.71 2d7iA1 GLY 469 HA3 -0.06 0.03 0.36 -0.51 4.01 3.83 2d7iA1 LEU 470 H -0.07 -0.11 -0.92 -0.55 8.37 6.73 2d7iA1 LEU 470 HA -0.03 0.03 0.47 -0.75 4.35 4.07 2d7iA1 LEU 470 HB2 -0.03 -0.06 -0.11 -0.04 1.64 1.40 2d7iA1 LEU 470 HB3 -0.01 0.06 -0.08 -0.04 1.64 1.57 2d7iA1 LEU 470 HG -0.05 0.20 -0.09 -0.04 1.64 1.66 2d7iA1 LEU 470 HD13 -0.04 -0.01 -0.14 -0.04 0.93 0.71 2d7iA1 LEU 470 HD23 -0.04 -0.03 -0.21 -0.04 0.89 0.57 2d7iA1 CYS 471 H 0.02 0.61 0.26 -0.55 8.50 8.83 2d7iA1 CYS 471 HA 0.07 0.21 1.04 -0.75 4.58 5.15 2d7iA1 CYS 471 HB2 0.03 0.01 -0.05 -0.04 2.97 2.92 2d7iA1 CYS 471 HB3 0.06 0.05 -0.08 -0.04 2.97 2.96 2d7iA1 ALA 472 H 0.07 0.75 0.33 -0.55 8.40 9.01 2d7iA1 ALA 472 HA 0.02 0.17 0.64 -0.75 4.34 4.42 2d7iA1 ALA 472 HB3 -0.28 -0.03 0.09 -0.04 1.41 1.15 2d7iA1 ASP 473 H 0.05 0.50 0.20 -0.55 8.40 8.60 2d7iA1 ASP 473 HA 0.23 0.33 0.81 -0.75 4.63 5.25 2d7iA1 ASP 473 HB2 0.08 -0.01 -0.36 -0.04 2.71 2.38 2d7iA1 ASP 473 HB3 0.07 -0.00 -0.24 -0.04 2.70 2.48 2d7iA1 THR 474 H 0.09 0.19 0.17 -0.55 8.28 8.19 2d7iA1 THR 474 HA 0.06 0.13 0.62 -0.75 4.39 4.44 2d7iA1 THR 474 HB 0.04 -0.10 -0.04 -0.04 4.32 4.18 2d7iA1 THR 474 HG23 0.07 0.11 -0.08 -0.04 1.22 1.28 2d7iA1 LYS 475 H 0.06 0.23 0.09 -0.55 8.42 8.24 2d7iA1 LYS 475 HA 0.17 0.26 0.47 -0.75 4.32 4.47 2d7iA1 LYS 475 HB2 0.05 -0.04 0.18 -0.04 1.87 2.02 2d7iA1 LYS 475 HB3 0.07 0.05 0.20 -0.04 1.79 2.06 2d7iA1 LYS 475 HG2 0.08 0.14 0.06 -0.04 1.46 1.71 2d7iA1 LYS 475 HG3 0.06 -0.05 0.06 -0.04 1.46 1.49 2d7iA1 LYS 475 HD2 0.05 0.02 0.05 -0.04 1.69 1.77 2d7iA1 LYS 475 HD3 0.06 0.02 0.03 -0.04 1.68 1.74 2d7iA1 LYS 475 HE2 0.04 0.00 0.04 -0.04 2.99 3.03 2d7iA1 LYS 475 HE3 0.03 -0.03 0.06 -0.04 2.99 3.01 2d7iA1 HIS 476 H 0.13 0.86 -0.25 -0.55 8.41 8.60 2d7iA1 HIS 476 HA -0.00 0.04 0.18 -0.75 4.63 4.09 2d7iA1 HIS 476 HB2 0.00 0.11 -0.22 -0.04 3.26 3.12 2d7iA1 HIS 476 HB3 -0.00 -0.03 0.17 -0.04 3.20 3.30 2d7iA1 HIS 476 HD2 0.02 0.08 -0.11 -0.04 6.97 6.92 2d7iA1 HIS 476 HE1 0.01 0.00 -0.07 -0.04 7.75 7.65 2d7iA1 GLY 477 H 0.02 -0.02 -0.75 -0.55 8.43 7.14 2d7iA1 GLY 477 HA2 -0.02 0.09 0.54 -0.51 4.01 4.11 2d7iA1 GLY 477 HA3 -0.03 -0.03 0.27 -0.51 4.01 3.71 2d7iA1 ALA 478 H -0.12 0.32 0.19 -0.55 8.40 8.24 2d7iA1 ALA 478 HA -0.82 0.12 0.34 -0.75 4.34 3.23 2d7iA1 ALA 478 HB3 -0.29 0.00 0.05 -0.04 1.41 1.14 2d7iA1 LEU 479 H -0.12 -0.02 -0.12 -0.55 8.37 7.56 2d7iA1 LEU 479 HA -0.01 0.10 0.42 -0.75 4.35 4.10 2d7iA1 LEU 479 HB2 -0.02 -0.01 0.09 -0.04 1.64 1.67 2d7iA1 LEU 479 HB3 -0.03 -0.15 0.10 -0.04 1.64 1.52 2d7iA1 LEU 479 HG 0.02 0.03 -0.03 -0.04 1.64 1.62 2d7iA1 LEU 479 HD13 0.00 -0.00 -0.00 -0.04 0.93 0.88 2d7iA1 LEU 479 HD23 -0.01 0.02 -0.21 -0.04 0.89 0.65 2d7iA1 GLY 480 H -0.05 -0.01 -0.16 -0.55 8.43 7.67 2d7iA1 GLY 480 HA2 -0.02 0.11 0.28 -0.51 4.01 3.88 2d7iA1 GLY 480 HA3 -0.03 0.04 0.31 -0.51 4.01 3.82 2d7iA1 SER 481 H -0.04 0.31 0.02 -0.55 8.46 8.20 2d7iA1 SER 481 HA -0.01 0.19 0.88 -0.75 4.49 4.80 2d7iA1 SER 481 HB2 -0.01 -0.04 0.18 -0.04 3.95 4.03 2d7iA1 SER 481 HB3 -0.00 0.05 0.09 -0.04 3.93 4.03 2d7iA1 PRO 482 HA -0.05 0.44 0.46 -0.51 4.44 4.78 2d7iA1 PRO 482 HB2 0.01 -0.10 0.02 -0.04 2.28 2.17 2d7iA1 PRO 482 HB3 0.00 0.06 0.11 -0.04 2.02 2.15 2d7iA1 PRO 482 HG2 0.01 -0.02 0.11 -0.04 2.03 2.08 2d7iA1 PRO 482 HG3 -0.01 0.11 0.10 -0.04 2.03 2.19 2d7iA1 PRO 482 HD2 -0.00 0.02 0.22 -0.04 3.68 3.88 2d7iA1 PRO 482 HD3 -0.01 0.26 0.33 -0.04 3.65 4.19 2d7iA1 LEU 483 H -0.15 0.31 0.13 -0.55 8.37 8.11 2d7iA1 LEU 483 HA -0.12 0.14 0.64 -0.75 4.35 4.25 2d7iA1 LEU 483 HB2 -0.56 -0.01 -0.00 -0.04 1.64 1.03 2d7iA1 LEU 483 HB3 -0.39 -0.08 0.24 -0.04 1.64 1.36 2d7iA1 LEU 483 HG -0.33 0.08 -0.03 -0.04 1.64 1.32 2d7iA1 LEU 483 HD13 -0.23 0.04 -0.13 -0.04 0.93 0.57 2d7iA1 LEU 483 HD23 -1.15 -0.02 -0.08 -0.04 0.89 -0.40 2d7iA1 ARG 484 H -0.02 0.27 0.23 -0.55 8.46 8.40 2d7iA1 ARG 484 HA 0.01 -0.07 0.45 -0.75 4.34 3.99 2d7iA1 ARG 484 HB2 0.04 -0.06 0.10 -0.04 1.90 1.94 2d7iA1 ARG 484 HB3 0.03 -0.01 0.05 -0.04 1.80 1.83 2d7iA1 ARG 484 HG2 0.03 0.06 0.01 -0.04 1.67 1.73 2d7iA1 ARG 484 HG3 0.04 -0.01 -0.33 -0.04 1.67 1.32 2d7iA1 ARG 484 HD2 0.05 -0.07 -0.06 -0.04 3.22 3.10 2d7iA1 ARG 484 HD3 0.04 0.04 -0.03 -0.04 3.22 3.23 2d7iA1 LEU 485 H 0.03 0.19 0.05 -0.55 8.37 8.09 2d7iA1 LEU 485 HA 0.04 0.25 0.97 -0.75 4.35 4.86 2d7iA1 LEU 485 HB2 0.04 0.08 -0.14 -0.04 1.64 1.58 2d7iA1 LEU 485 HB3 0.01 -0.03 -0.07 -0.04 1.64 1.51 2d7iA1 LEU 485 HG 0.03 -0.07 -0.17 -0.04 1.64 1.39 2d7iA1 LEU 485 HD13 0.16 0.06 -0.28 -0.04 0.93 0.83 2d7iA1 LEU 485 HD23 -0.01 -0.02 -0.13 -0.04 0.89 0.68 2d7iA1 GLU 486 H 0.03 0.70 0.23 -0.55 8.60 9.02 2d7iA1 GLU 486 HA -0.01 0.16 0.74 -0.75 4.29 4.43 2d7iA1 GLU 486 HB2 0.04 -0.04 -0.17 -0.04 2.09 1.87 2d7iA1 GLU 486 HB3 0.00 0.01 -0.01 -0.04 1.99 1.95 2d7iA1 GLU 486 HG2 0.03 -0.07 -0.73 -0.04 2.34 1.53 2d7iA1 GLU 486 HG3 0.05 -0.03 -0.21 -0.04 2.34 2.12 2d7iA1 GLY 487 H -0.05 0.14 0.09 -0.55 8.43 8.07 2d7iA1 GLY 487 HA2 -0.04 0.04 0.46 -0.51 4.01 3.96 2d7iA1 GLY 487 HA3 -0.07 0.07 0.29 -0.51 4.01 3.79 2d7iA1 CYS 488 H -0.02 0.16 0.17 -0.55 8.50 8.26 2d7iA1 CYS 488 HA 0.01 -0.04 0.31 -0.75 4.58 4.11 2d7iA1 CYS 488 HB2 -0.02 0.06 0.04 -0.04 2.97 3.01 2d7iA1 CYS 488 HB3 -0.00 -0.07 -0.07 -0.04 2.97 2.79 2d7iA1 VAL 489 H 0.02 0.03 0.14 -0.55 8.24 7.87 2d7iA1 VAL 489 HA 0.01 0.23 0.61 -0.75 4.13 4.23 2d7iA1 VAL 489 HB 0.04 -0.06 0.11 -0.04 2.12 2.16 2d7iA1 VAL 489 HG13 0.06 -0.06 -0.12 -0.04 0.97 0.81 2d7iA1 VAL 489 HG23 0.05 0.06 -0.07 -0.04 0.95 0.94 2d7iA1 ARG 490 H 0.02 0.07 0.08 -0.55 8.46 8.08 2d7iA1 ARG 490 HA 0.02 0.04 0.29 -0.75 4.34 3.94 2d7iA1 ARG 490 HB2 0.00 0.01 -0.56 -0.04 1.90 1.31 2d7iA1 ARG 490 HB3 0.01 0.09 0.15 -0.04 1.80 2.01 2d7iA1 ARG 490 HG2 0.01 -0.00 0.09 -0.04 1.67 1.72 2d7iA1 ARG 490 HG3 -0.01 -0.01 -0.01 -0.04 1.67 1.60 2d7iA1 ARG 490 HD2 -0.01 0.02 -0.01 -0.04 3.22 3.18 2d7iA1 ARG 490 HD3 -0.00 0.03 -0.06 -0.04 3.22 3.15 2d7iA1 GLY 491 H 0.04 -0.03 -0.32 -0.55 8.43 7.57 2d7iA1 GLY 491 HA2 0.05 -0.01 0.27 -0.51 4.01 3.81 2d7iA1 GLY 491 HA3 0.04 0.17 0.49 -0.51 4.01 4.20 2d7iA1 ARG 492 H 0.03 0.38 -0.54 -0.55 8.46 7.78 2d7iA1 ARG 492 HA 0.04 0.17 0.75 -0.75 4.34 4.54 2d7iA1 ARG 492 HB2 0.02 0.14 0.04 -0.04 1.90 2.06 2d7iA1 ARG 492 HB3 0.03 -0.05 0.15 -0.04 1.80 1.88 2d7iA1 ARG 492 HG2 0.03 -0.02 -0.06 -0.04 1.67 1.57 2d7iA1 ARG 492 HG3 0.03 0.09 -0.23 -0.04 1.67 1.52 2d7iA1 ARG 492 HD2 0.02 -0.03 -0.02 -0.04 3.22 3.15 2d7iA1 ARG 492 HD3 0.01 0.03 -0.02 -0.04 3.22 3.20 2d7iA1 GLY 493 H 0.06 -0.07 -0.33 -0.55 8.43 7.54 2d7iA1 GLY 493 HA2 0.09 0.22 0.78 -0.51 4.01 4.59 2d7iA1 GLY 493 HA3 0.09 -0.03 0.23 -0.51 4.01 3.80 2d7iA1 GLU 494 H 0.30 0.16 0.14 -0.55 8.60 8.65 2d7iA1 GLU 494 HA 0.10 0.17 0.63 -0.75 4.29 4.44 2d7iA1 GLU 494 HB2 0.39 -0.06 0.12 -0.04 2.09 2.50 2d7iA1 GLU 494 HB3 0.04 0.00 0.10 -0.04 1.99 2.10 2d7iA1 GLU 494 HG2 0.17 0.08 -0.00 -0.04 2.34 2.55 2d7iA1 GLU 494 HG3 0.33 0.00 0.09 -0.04 2.34 2.72 2d7iA1 ALA 495 H 0.02 0.25 0.16 -0.55 8.40 8.28 2d7iA1 ALA 495 HA 0.06 0.07 0.47 -0.75 4.34 4.18 2d7iA1 ALA 495 HB3 -0.01 0.04 0.11 -0.04 1.41 1.52 2d7iA1 ALA 496 H -0.17 -0.01 -0.56 -0.55 8.40 7.12 2d7iA1 ALA 496 HA -0.23 0.15 0.45 -0.75 4.34 3.95 2d7iA1 ALA 496 HB3 -0.62 0.01 0.02 -0.04 1.41 0.78 2d7iA1 TRP 497 H -0.10 0.22 -0.25 -0.55 7.97 7.29 2d7iA1 TRP 497 HA -0.01 0.18 0.57 -0.75 4.62 4.60 2d7iA1 TRP 497 HB2 0.01 0.01 -0.11 -0.04 3.23 3.10 2d7iA1 TRP 497 HB3 0.00 0.03 0.07 -0.04 3.23 3.29 2d7iA1 TRP 497 HD1 0.00 0.20 0.09 -0.04 7.22 7.48 2d7iA1 TRP 497 HE1 0.00 -0.04 0.04 -0.04 10.20 10.16 2d7iA1 TRP 497 HE3 -0.00 0.05 -0.03 -0.04 7.59 7.57 2d7iA1 TRP 497 HZ2 -0.00 0.00 -0.01 -0.04 7.44 7.39 2d7iA1 TRP 497 HZ3 -0.00 0.02 -0.02 -0.04 7.13 7.08 2d7iA1 TRP 497 HH2 -0.00 0.01 -0.02 -0.04 7.19 7.14 2d7iA1 ASN 498 H 0.02 0.18 -0.69 -0.55 8.53 7.49 2d7iA1 ASN 498 HA -0.09 0.02 0.27 -0.75 4.76 4.20 2d7iA1 ASN 498 HB2 0.02 0.15 -0.13 -0.04 2.88 2.87 2d7iA1 ASN 498 HB3 -0.13 -0.06 0.00 -0.04 2.79 2.56 2d7iA1 ASN 498 HD21 -0.16 -0.01 -0.03 -0.04 7.03 6.78 2d7iA1 ASN 498 HD22 -0.35 -0.02 -0.07 -0.04 7.74 7.26 2d7iA1 ASN 499 H 0.16 0.13 -0.02 -0.55 8.53 8.25 2d7iA1 ASN 499 HA 0.17 0.23 0.89 -0.75 4.76 5.30 2d7iA1 ASN 499 HB2 0.14 -0.04 -0.00 -0.04 2.88 2.93 2d7iA1 ASN 499 HB3 0.10 -0.06 -0.13 -0.04 2.79 2.65 2d7iA1 ASN 499 HD21 0.14 0.03 -0.14 -0.04 7.03 7.02 2d7iA1 ASN 499 HD22 0.20 -0.02 -0.13 -0.04 7.74 7.74 2d7iA1 MET 500 H 0.09 0.26 0.06 -0.55 8.47 8.34 2d7iA1 MET 500 HA -0.10 0.12 0.88 -0.75 4.52 4.67 2d7iA1 MET 500 HB2 -0.91 0.03 0.05 -0.04 2.15 1.27 2d7iA1 MET 500 HB3 -0.25 0.15 0.31 -0.04 2.03 2.20 2d7iA1 MET 500 HG2 -0.35 0.03 0.04 -0.04 2.63 2.31 2d7iA1 MET 500 HG3 -0.36 0.04 0.01 -0.04 2.56 2.21 2d7iA1 MET 500 HE3 -0.17 0.02 -0.00 -0.04 2.10 1.90 2d7iA1 GLN 501 H -0.06 0.15 -0.06 -0.55 8.47 7.96 2d7iA1 GLN 501 HA 0.04 0.46 0.96 -0.75 4.36 5.07 2d7iA1 GLN 501 HB2 0.02 -0.12 0.02 -0.04 2.15 2.03 2d7iA1 GLN 501 HB3 0.05 -0.05 0.20 -0.04 2.02 2.18 2d7iA1 GLN 501 HG2 0.11 0.34 -0.24 -0.04 2.40 2.56 2d7iA1 GLN 501 HG3 0.06 -0.11 -0.35 -0.04 2.39 1.95 2d7iA1 GLN 501 HE21 0.02 0.39 -0.15 -0.04 6.97 7.19 2d7iA1 GLN 501 HE22 0.05 -0.01 -0.24 -0.04 7.69 7.46 2d7iA1 VAL 502 H -0.43 0.12 -0.12 -0.55 8.24 7.25 2d7iA1 VAL 502 HA -0.06 0.23 0.79 -0.75 4.13 4.34 2d7iA1 VAL 502 HB -0.13 -0.06 0.06 -0.04 2.12 1.95 2d7iA1 VAL 502 HG13 0.07 0.05 -0.25 -0.04 0.97 0.80 2d7iA1 VAL 502 HG23 -0.00 -0.03 -0.15 -0.04 0.95 0.73 2d7iA1 PHE 503 H 0.15 0.47 0.34 -0.55 8.34 8.75 2d7iA1 PHE 503 HA 0.01 0.18 0.85 -0.75 4.62 4.91 2d7iA1 PHE 503 HB2 -0.02 -0.01 -0.15 -0.04 3.15 2.93 2d7iA1 PHE 503 HB3 -0.10 0.02 -0.15 -0.04 3.06 2.79 2d7iA1 PHE 503 HD2 -0.11 0.02 -0.31 -0.04 7.28 6.83 2d7iA1 PHE 503 HE2 0.08 0.19 -0.12 -0.04 7.38 7.49 2d7iA1 PHE 503 HZ 0.03 -0.00 -0.29 -0.04 7.32 7.01 2d7iA1 THR 504 H 0.15 0.67 0.27 -0.55 8.28 8.82 2d7iA1 THR 504 HA 0.34 0.16 1.09 -0.75 4.39 5.22 2d7iA1 THR 504 HB 0.04 0.06 -0.01 -0.04 4.32 4.37 2d7iA1 THR 504 HG23 0.07 -0.03 -0.16 -0.04 1.22 1.06 2d7iA1 PHE 505 H 0.22 0.92 0.29 -0.55 8.34 9.22 2d7iA1 PHE 505 HA -0.13 0.29 0.79 -0.75 4.62 4.82 2d7iA1 PHE 505 HB2 -0.48 -0.02 0.04 -0.04 3.15 2.64 2d7iA1 PHE 505 HB3 -0.21 -0.36 0.35 -0.04 3.06 2.79 2d7iA1 PHE 505 HD2 -0.13 -0.06 -0.08 -0.04 7.28 6.98 2d7iA1 PHE 505 HE2 0.08 0.01 -0.15 -0.04 7.38 7.28 2d7iA1 PHE 505 HZ 0.17 0.16 -0.41 -0.04 7.32 7.20 2d7iA1 THR 506 H -0.19 0.37 -0.03 -0.55 8.28 7.88 2d7iA1 THR 506 HA 0.02 0.02 0.31 -0.75 4.39 3.99 2d7iA1 THR 506 HB -0.23 0.01 0.13 -0.04 4.32 4.20 2d7iA1 THR 506 HG23 -0.13 0.06 -0.02 -0.04 1.22 1.08 2d7iA1 TRP 507 H 0.10 0.23 0.11 -0.55 7.97 7.86 2d7iA1 TRP 507 HA 0.02 0.11 0.48 -0.75 4.62 4.49 2d7iA1 TRP 507 HB2 -0.02 -0.00 0.10 -0.04 3.23 3.26 2d7iA1 TRP 507 HB3 -0.02 0.25 -0.02 -0.04 3.23 3.40 2d7iA1 TRP 507 HD1 -0.04 0.04 0.02 -0.04 7.22 7.20 2d7iA1 TRP 507 HE1 -0.02 -0.01 -0.01 -0.04 10.20 10.12 2d7iA1 TRP 507 HE3 -0.06 -0.03 -0.18 -0.04 7.59 7.29 2d7iA1 TRP 507 HZ2 -0.04 0.01 -0.03 -0.04 7.44 7.34 2d7iA1 TRP 507 HZ3 -0.13 0.12 -0.00 -0.04 7.13 7.08 2d7iA1 TRP 507 HH2 -0.13 0.13 -0.14 -0.04 7.19 7.01 2d7iA1 ARG 508 H -0.91 -0.01 -0.36 -0.55 8.46 6.63 2d7iA1 ARG 508 HA -0.49 0.21 0.54 -0.75 4.34 3.85 2d7iA1 ARG 508 HB2 -0.62 -0.07 -0.08 -0.04 1.90 1.09 2d7iA1 ARG 508 HB3 -0.61 0.04 0.07 -0.04 1.80 1.26 2d7iA1 ARG 508 HG2 -2.25 0.14 -0.03 -0.04 1.67 -0.51 2d7iA1 ARG 508 HG3 -2.48 -0.14 -0.02 -0.04 1.67 -1.00 2d7iA1 ARG 508 HD2 -0.57 -0.04 -0.09 -0.04 3.22 2.47 2d7iA1 ARG 508 HD3 -0.57 0.03 -0.05 -0.04 3.22 2.59 2d7iA1 GLU 509 H -0.24 0.30 -0.59 -0.55 8.60 7.53 2d7iA1 GLU 509 HA -0.22 0.03 0.25 -0.75 4.29 3.60 2d7iA1 GLU 509 HB2 -0.16 0.01 -0.48 -0.04 2.09 1.42 2d7iA1 GLU 509 HB3 -0.15 -0.02 0.31 -0.04 1.99 2.09 2d7iA1 GLU 509 HG2 -0.05 -0.00 0.12 -0.04 2.34 2.36 2d7iA1 GLU 509 HG3 0.22 0.07 0.19 -0.04 2.34 2.77 2d7iA1 ASP 510 H -0.48 -0.05 -0.33 -0.55 8.40 6.99 2d7iA1 ASP 510 HA -0.11 0.29 0.99 -0.75 4.63 5.04 2d7iA1 ASP 510 HB2 -0.14 -0.05 0.08 -0.04 2.71 2.56 2d7iA1 ASP 510 HB3 -0.23 0.18 -0.09 -0.04 2.70 2.53 2d7iA1 ILE 511 H -0.16 0.20 0.19 -0.55 8.25 7.93 2d7iA1 ILE 511 HA -0.39 0.31 1.13 -0.75 4.18 4.47 2d7iA1 ILE 511 HB -1.34 -0.03 0.10 -0.04 1.89 0.58 2d7iA1 ILE 511 HG12 -0.08 0.01 -0.24 -0.04 1.49 1.13 2d7iA1 ILE 511 HG13 -0.46 -0.00 -0.17 -0.04 1.21 0.54 2d7iA1 ILE 511 HG23 -0.77 -0.01 -0.23 -0.04 0.93 -0.13 2d7iA1 ILE 511 HD13 -0.57 -0.00 -0.13 -0.04 0.88 0.13 2d7iA1 ARG 512 H -0.20 0.61 0.37 -0.55 8.46 8.69 2d7iA1 ARG 512 HA -0.13 0.25 0.91 -0.75 4.34 4.62 2d7iA1 ARG 512 HB2 -0.01 0.16 0.24 -0.04 1.90 2.24 2d7iA1 ARG 512 HB3 -0.10 -0.03 -0.08 -0.04 1.80 1.56 2d7iA1 ARG 512 HG2 -0.13 -0.08 0.00 -0.04 1.67 1.41 2d7iA1 ARG 512 HG3 -0.04 -0.05 -0.02 -0.04 1.67 1.52 2d7iA1 ARG 512 HD2 -0.07 -0.10 -0.12 -0.04 3.22 2.88 2d7iA1 ARG 512 HD3 -0.06 0.37 -0.06 -0.04 3.22 3.42 2d7iA1 PRO 513 HA -0.13 0.15 0.66 -0.51 4.44 4.61 2d7iA1 PRO 513 HB2 -0.08 -0.04 0.03 -0.04 2.28 2.16 2d7iA1 PRO 513 HB3 0.04 0.02 0.08 -0.04 2.02 2.13 2d7iA1 PRO 513 HG2 0.17 -0.08 0.10 -0.04 2.03 2.17 2d7iA1 PRO 513 HG3 0.21 0.03 0.02 -0.04 2.03 2.25 2d7iA1 PRO 513 HD2 0.16 0.51 0.34 -0.04 3.68 4.64 2d7iA1 PRO 513 HD3 0.28 0.11 0.08 -0.04 3.65 4.08 2d7iA1 GLY 514 H -0.23 0.48 0.14 -0.55 8.43 8.28 2d7iA1 GLY 514 HA2 -0.02 -0.08 0.28 -0.51 4.01 3.67 2d7iA1 GLY 514 HA3 0.02 0.31 0.62 -0.51 4.01 4.45 2d7iA1 ASP 515 H 0.08 0.14 0.01 -0.55 8.40 8.09 2d7iA1 ASP 515 HA 0.10 0.15 0.42 -0.75 4.63 4.54 2d7iA1 ASP 515 HB2 -0.09 -0.14 0.06 -0.04 2.71 2.50 2d7iA1 ASP 515 HB3 -0.03 0.08 0.06 -0.04 2.70 2.77 2d7iA1 PRO 516 HA -0.06 0.12 0.25 -0.51 4.44 4.24 2d7iA1 PRO 516 HB2 -0.34 0.06 0.01 -0.04 2.28 1.97 2d7iA1 PRO 516 HB3 -0.25 0.01 0.03 -0.04 2.02 1.77 2d7iA1 PRO 516 HG2 -0.45 0.06 -0.08 -0.04 2.03 1.51 2d7iA1 PRO 516 HG3 -1.28 0.05 -0.02 -0.04 2.03 0.74 2d7iA1 PRO 516 HD2 -0.07 0.04 0.15 -0.04 3.68 3.75 2d7iA1 PRO 516 HD3 0.05 0.15 0.13 -0.04 3.65 3.95 2d7iA1 GLN 517 H -0.26 -0.19 -1.01 -0.55 8.47 6.46 2d7iA1 GLN 517 HA -0.16 0.26 0.85 -0.75 4.36 4.56 2d7iA1 GLN 517 HB2 -0.34 -0.08 -0.08 -0.04 2.15 1.61 2d7iA1 GLN 517 HB3 -0.90 -0.01 -0.09 -0.04 2.02 0.98 2d7iA1 GLN 517 HG2 -0.14 0.03 0.02 -0.04 2.40 2.27 2d7iA1 GLN 517 HG3 -0.14 0.08 0.05 -0.04 2.39 2.35 2d7iA1 GLN 517 HE21 -0.03 -0.02 -0.02 -0.04 6.97 6.85 2d7iA1 GLN 517 HE22 -0.01 0.02 -0.01 -0.04 7.69 7.65 2d7iA1 HIS 518 H -0.20 0.08 -0.11 -0.55 8.41 7.63 2d7iA1 HIS 518 HA 0.02 0.27 0.87 -0.75 4.63 5.04 2d7iA1 HIS 518 HB2 0.02 -0.16 0.20 -0.04 3.26 3.27 2d7iA1 HIS 518 HB3 0.02 0.05 0.15 -0.04 3.20 3.38 2d7iA1 HIS 518 HD2 0.02 -0.07 0.00 -0.04 6.97 6.88 2d7iA1 HIS 518 HE1 0.01 0.05 -0.07 -0.04 7.75 7.70 2d7iA1 THR 519 H 0.02 0.10 -0.31 -0.55 8.28 7.54 2d7iA1 THR 519 HA 0.03 0.15 0.40 -0.75 4.39 4.21 2d7iA1 THR 519 HB -0.01 0.08 -0.05 -0.04 4.32 4.29 2d7iA1 THR 519 HG23 -0.01 -0.00 -0.24 -0.04 1.22 0.92 2d7iA1 LYS 520 H 0.02 0.46 0.20 -0.55 8.42 8.55 2d7iA1 LYS 520 HA -0.04 0.15 0.84 -0.75 4.32 4.51 2d7iA1 LYS 520 HB2 0.15 0.08 0.11 -0.04 1.87 2.17 2d7iA1 LYS 520 HB3 0.13 -0.05 0.00 -0.04 1.79 1.84 2d7iA1 LYS 520 HG2 0.08 -0.02 0.01 -0.04 1.46 1.50 2d7iA1 LYS 520 HG3 0.08 0.07 -0.13 -0.04 1.46 1.44 2d7iA1 LYS 520 HD2 0.15 -0.03 -0.06 -0.04 1.69 1.71 2d7iA1 LYS 520 HD3 0.49 0.00 -0.04 -0.04 1.68 2.10 2d7iA1 LYS 520 HE2 0.12 -0.04 -0.03 -0.04 2.99 3.00 2d7iA1 LYS 520 HE3 0.19 -0.00 -0.02 -0.04 2.99 3.12 2d7iA1 LYS 521 H -0.37 0.14 0.09 -0.55 8.42 7.73 2d7iA1 LYS 521 HA -0.19 0.13 0.37 -0.75 4.32 3.87 2d7iA1 LYS 521 HB2 -0.49 -0.02 0.14 -0.04 1.87 1.46 2d7iA1 LYS 521 HB3 -0.31 -0.02 0.26 -0.04 1.79 1.68 2d7iA1 LYS 521 HG2 -0.14 0.02 -0.01 -0.04 1.46 1.28 2d7iA1 LYS 521 HG3 -0.18 -0.02 0.04 -0.04 1.46 1.27 2d7iA1 LYS 521 HD2 -0.11 0.02 0.05 -0.04 1.69 1.61 2d7iA1 LYS 521 HD3 -0.09 0.04 -0.04 -0.04 1.68 1.55 2d7iA1 LYS 521 HE2 -0.00 0.01 -0.05 -0.04 2.99 2.90 2d7iA1 LYS 521 HE3 -0.07 -0.03 -0.02 -0.04 2.99 2.83 2d7iA1 PHE 522 H -0.09 0.27 -0.94 -0.55 8.34 7.03 2d7iA1 PHE 522 HA 0.02 0.20 0.76 -0.75 4.62 4.85 2d7iA1 PHE 522 HB2 0.06 -0.11 0.04 -0.04 3.15 3.10 2d7iA1 PHE 522 HB3 0.09 0.17 -0.02 -0.04 3.06 3.26 2d7iA1 PHE 522 HD2 0.04 0.05 -0.07 -0.04 7.28 7.26 2d7iA1 PHE 522 HE2 0.04 -0.05 -0.03 -0.04 7.38 7.30 2d7iA1 PHE 522 HZ 0.03 -0.07 -0.04 -0.04 7.32 7.19 2d7iA1 CYS 523 H 0.15 0.65 0.04 -0.55 8.50 8.79 2d7iA1 CYS 523 HA 0.02 0.34 0.98 -0.75 4.58 5.16 2d7iA1 CYS 523 HB2 -0.04 0.06 -0.11 -0.04 2.97 2.84 2d7iA1 CYS 523 HB3 0.02 0.01 -0.01 -0.04 2.97 2.94 2d7iA1 PHE 524 H 0.19 0.19 0.26 -0.55 8.34 8.42 2d7iA1 PHE 524 HA 0.06 0.26 0.77 -0.75 4.62 4.95 2d7iA1 PHE 524 HB2 -0.13 -0.08 0.24 -0.04 3.15 3.13 2d7iA1 PHE 524 HB3 -0.12 -0.03 0.02 -0.04 3.06 2.89 2d7iA1 PHE 524 HD2 -0.60 0.05 -0.23 -0.04 7.28 6.45 2d7iA1 PHE 524 HE2 -0.43 -0.02 -0.19 -0.04 7.38 6.70 2d7iA1 PHE 524 HZ -1.24 -0.02 -0.21 -0.04 7.32 5.81 2d7iA1 ASP 525 H 0.25 0.71 0.40 -0.55 8.40 9.21 2d7iA1 ASP 525 HA 0.17 0.45 0.93 -0.75 4.63 5.43 2d7iA1 ASP 525 HB2 0.23 0.06 -0.12 -0.04 2.71 2.84 2d7iA1 ASP 525 HB3 0.25 -0.15 0.09 -0.04 2.70 2.85 2d7iA1 ALA 526 H 0.03 0.54 0.26 -0.55 8.40 8.68 2d7iA1 ALA 526 HA 0.10 0.14 0.88 -0.75 4.34 4.70 2d7iA1 ALA 526 HB3 0.05 0.00 -0.12 -0.04 1.41 1.31 2d7iA1 ILE 527 H 0.07 0.09 0.06 -0.55 8.25 7.92 2d7iA1 ILE 527 HA 0.06 0.14 0.56 -0.75 4.18 4.18 2d7iA1 ILE 527 HB 0.01 -0.31 0.27 -0.04 1.89 1.83 2d7iA1 ILE 527 HG12 0.02 0.04 -0.02 -0.04 1.49 1.49 2d7iA1 ILE 527 HG13 0.03 0.03 0.07 -0.04 1.21 1.30 2d7iA1 ILE 527 HG23 0.00 0.01 -0.01 -0.04 0.93 0.89 2d7iA1 ILE 527 HD13 -0.02 -0.00 0.03 -0.04 0.88 0.86 2d7iA1 SER 528 H 0.00 -0.02 0.13 -0.55 8.46 8.02 2d7iA1 SER 528 HA -0.02 0.22 0.44 -0.75 4.49 4.39 2d7iA1 SER 528 HB2 -0.23 -0.03 0.20 -0.04 3.95 3.86 2d7iA1 SER 528 HB3 -0.08 0.08 0.15 -0.04 3.93 4.04 2d7iA1 HIS 529 H -0.38 0.14 0.08 -0.55 8.41 7.70 2d7iA1 HIS 529 HA 0.10 0.25 0.71 -0.75 4.63 4.94 2d7iA1 HIS 529 HB2 0.07 -0.00 0.08 -0.04 3.26 3.37 2d7iA1 HIS 529 HB3 0.03 0.21 0.02 -0.04 3.20 3.42 2d7iA1 HIS 529 HD2 0.02 0.06 0.01 -0.04 6.97 7.01 2d7iA1 HIS 529 HE1 0.03 -0.02 -0.07 -0.04 7.75 7.65 2d7iA1 THR 530 H -0.04 -0.29 -0.28 -0.55 8.28 7.12 2d7iA1 THR 530 HA 0.17 0.65 0.41 -0.75 4.39 4.87 2d7iA1 THR 530 HB -0.07 0.00 0.02 -0.04 4.32 4.23 2d7iA1 THR 530 HG23 0.08 0.00 -0.18 -0.04 1.22 1.08 2d7iA1 SER 531 H 0.01 -0.25 -0.04 -0.55 8.46 7.64 2d7iA1 SER 531 HA 0.01 0.14 0.50 -0.75 4.49 4.38 2d7iA1 SER 531 HB2 0.01 0.15 0.16 -0.04 3.95 4.23 2d7iA1 SER 531 HB3 -0.01 -0.10 0.15 -0.04 3.93 3.93 2d7iA1 PRO 532 HA 0.13 0.16 0.83 -0.51 4.44 5.05 2d7iA1 PRO 532 HB2 0.03 0.04 0.15 -0.04 2.28 2.46 2d7iA1 PRO 532 HB3 0.13 -0.02 0.10 -0.04 2.02 2.19 2d7iA1 PRO 532 HG2 0.02 0.06 0.08 -0.04 2.03 2.14 2d7iA1 PRO 532 HG3 0.03 -0.00 0.10 -0.04 2.03 2.11 2d7iA1 PRO 532 HD2 0.02 0.01 0.26 -0.04 3.68 3.93 2d7iA1 PRO 532 HD3 0.03 0.14 0.21 -0.04 3.65 3.99 2d7iA1 VAL 533 H -0.05 0.26 0.22 -0.55 8.24 8.12 2d7iA1 VAL 533 HA 0.03 0.15 0.39 -0.75 4.13 3.94 2d7iA1 VAL 533 HB -0.45 -0.09 0.05 -0.04 2.12 1.58 2d7iA1 VAL 533 HG13 -0.50 0.03 -0.07 -0.04 0.97 0.39 2d7iA1 VAL 533 HG23 -0.23 0.03 -0.05 -0.04 0.95 0.66 2d7iA1 THR 534 H 0.02 0.30 0.27 -0.55 8.28 8.32 2d7iA1 THR 534 HA -0.03 0.12 0.75 -0.75 4.39 4.47 2d7iA1 THR 534 HB 0.07 0.18 0.15 -0.04 4.32 4.67 2d7iA1 THR 534 HG23 0.04 -0.06 -0.11 -0.04 1.22 1.05 2d7iA1 LEU 535 H 0.04 0.12 -0.05 -0.55 8.37 7.93 2d7iA1 LEU 535 HA 0.25 0.46 0.77 -0.75 4.35 5.07 2d7iA1 LEU 535 HB2 -0.03 -0.01 0.04 -0.04 1.64 1.60 2d7iA1 LEU 535 HB3 0.05 -0.01 0.11 -0.04 1.64 1.74 2d7iA1 LEU 535 HG 0.06 -0.04 -0.19 -0.04 1.64 1.43 2d7iA1 LEU 535 HD13 0.02 0.01 -0.11 -0.04 0.93 0.81 2d7iA1 LEU 535 HD23 0.45 0.03 -0.23 -0.04 0.89 1.09 2d7iA1 TYR 536 H 0.27 0.10 -0.42 -0.55 8.29 7.69 2d7iA1 TYR 536 HA 0.11 0.09 0.50 -0.75 4.56 4.50 2d7iA1 TYR 536 HB2 0.08 -0.06 0.05 -0.04 3.06 3.09 2d7iA1 TYR 536 HB3 0.09 0.04 -0.03 -0.04 2.98 3.04 2d7iA1 TYR 536 HD2 0.10 0.01 0.09 -0.04 7.15 7.30 2d7iA1 TYR 536 HE2 0.07 -0.02 0.02 -0.04 6.85 6.87 2d7iA1 ASP 537 H 0.17 0.03 0.20 -0.55 8.40 8.25 2d7iA1 ASP 537 HA 0.06 0.19 0.53 -0.75 4.63 4.65 2d7iA1 ASP 537 HB2 -0.30 -0.06 0.04 -0.04 2.71 2.35 2d7iA1 ASP 537 HB3 -0.09 0.05 0.10 -0.04 2.70 2.73 2d7iA1 CYS 538 H -0.12 0.49 0.25 -0.55 8.50 8.57 2d7iA1 CYS 538 HA -0.23 0.08 0.50 -0.75 4.58 4.18 2d7iA1 CYS 538 HB2 -0.13 -0.03 0.01 -0.04 2.97 2.78 2d7iA1 CYS 538 HB3 -0.17 -0.02 -0.19 -0.04 2.97 2.55 2d7iA1 HIS 539 H -0.56 0.26 0.12 -0.55 8.41 7.68 2d7iA1 HIS 539 HA -0.09 0.14 0.76 -0.75 4.63 4.69 2d7iA1 HIS 539 HB2 -0.09 0.02 -0.01 -0.04 3.26 3.14 2d7iA1 HIS 539 HB3 -0.13 0.05 -0.10 -0.04 3.20 2.98 2d7iA1 HIS 539 HD2 -0.16 0.07 -0.03 -0.04 6.97 6.81 2d7iA1 HIS 539 HE1 -0.06 -0.13 0.15 -0.04 7.75 7.68 2d7iA1 SER 540 H 0.00 0.19 -0.00 -0.55 8.46 8.10 2d7iA1 SER 540 HA -0.09 0.07 0.31 -0.75 4.49 4.02 2d7iA1 SER 540 HB2 0.05 -0.01 0.16 -0.04 3.95 4.11 2d7iA1 SER 540 HB3 0.16 0.06 0.19 -0.04 3.93 4.30 2d7iA1 MET 541 H 0.14 1.05 0.52 -0.55 8.47 9.63 2d7iA1 MET 541 HA 0.07 0.15 0.79 -0.75 4.52 4.77 2d7iA1 MET 541 HB2 0.12 -0.11 0.05 -0.04 2.15 2.17 2d7iA1 MET 541 HB3 0.01 0.02 0.01 -0.04 2.03 2.03 2d7iA1 MET 541 HG2 0.16 -0.14 -0.67 -0.04 2.63 1.94 2d7iA1 MET 541 HG3 -0.13 -0.02 -0.16 -0.04 2.56 2.22 2d7iA1 MET 541 HE3 -0.08 -0.01 -0.06 -0.04 2.10 1.91 2d7iA1 LYS 542 H -0.03 0.20 0.07 -0.55 8.42 8.10 2d7iA1 LYS 542 HA -0.11 0.15 0.32 -0.75 4.32 3.93 2d7iA1 LYS 542 HB2 -0.10 -0.04 0.15 -0.04 1.87 1.84 2d7iA1 LYS 542 HB3 -0.16 0.03 0.25 -0.04 1.79 1.87 2d7iA1 LYS 542 HG2 -0.20 0.14 0.04 -0.04 1.46 1.41 2d7iA1 LYS 542 HG3 -0.14 -0.03 0.06 -0.04 1.46 1.31 2d7iA1 LYS 542 HD2 -0.22 -0.04 0.04 -0.04 1.69 1.43 2d7iA1 LYS 542 HD3 -0.40 0.00 0.06 -0.04 1.68 1.30 2d7iA1 LYS 542 HE2 -0.19 0.00 0.01 -0.04 2.99 2.77 2d7iA1 LYS 542 HE3 -0.48 -0.04 0.02 -0.04 2.99 2.44 2d7iA1 GLY 543 H 0.14 0.62 -0.78 -0.55 8.43 7.87 2d7iA1 GLY 543 HA2 -0.02 0.12 0.39 -0.51 4.01 3.99 2d7iA1 GLY 543 HA3 0.09 -0.04 0.37 -0.51 4.01 3.91 2d7iA1 ASN 544 H 0.13 0.14 0.13 -0.55 8.53 8.38 2d7iA1 ASN 544 HA 0.11 0.17 0.64 -0.75 4.76 4.93 2d7iA1 ASN 544 HB2 0.14 -0.06 0.11 -0.04 2.88 3.03 2d7iA1 ASN 544 HB3 0.12 0.07 0.26 -0.04 2.79 3.20 2d7iA1 ASN 544 HD21 0.01 0.01 0.03 -0.04 7.03 7.04 2d7iA1 ASN 544 HD22 0.08 -0.05 0.04 -0.04 7.74 7.76 2d7iA1 GLN 545 H -0.04 0.05 -0.84 -0.55 8.47 7.09 2d7iA1 GLN 545 HA -0.04 0.42 0.82 -0.75 4.36 4.81 2d7iA1 GLN 545 HB2 -0.26 0.10 0.03 -0.04 2.15 1.98 2d7iA1 GLN 545 HB3 -0.12 -0.07 0.10 -0.04 2.02 1.88 2d7iA1 GLN 545 HG2 -0.01 0.09 -0.33 -0.04 2.40 2.10 2d7iA1 GLN 545 HG3 -0.12 -0.16 -0.26 -0.04 2.39 1.81 2d7iA1 GLN 545 HE21 -0.38 0.31 0.21 -0.04 6.97 7.07 2d7iA1 GLN 545 HE22 -0.14 -0.08 -0.13 -0.04 7.69 7.30 2d7iA1 LEU 546 H -0.27 0.26 -0.22 -0.55 8.37 7.60 2d7iA1 LEU 546 HA -0.18 0.24 0.87 -0.75 4.35 4.53 2d7iA1 LEU 546 HB2 -0.16 -0.15 0.08 -0.04 1.64 1.37 2d7iA1 LEU 546 HB3 -0.18 0.11 0.22 -0.04 1.64 1.75 2d7iA1 LEU 546 HG -0.13 -0.07 -0.14 -0.04 1.64 1.25 2d7iA1 LEU 546 HD13 -0.16 0.03 0.09 -0.04 0.93 0.85 2d7iA1 LEU 546 HD23 -0.15 -0.04 0.10 -0.04 0.89 0.75 2d7iA1 TRP 547 H 0.07 0.65 0.34 -0.55 7.97 8.48 2d7iA1 TRP 547 HA 0.08 0.35 1.04 -0.75 4.62 5.33 2d7iA1 TRP 547 HB2 0.14 -0.01 -0.07 -0.04 3.23 3.25 2d7iA1 TRP 547 HB3 0.27 -0.13 -0.03 -0.04 3.23 3.30 2d7iA1 TRP 547 HD1 -0.19 -0.01 -0.01 -0.04 7.22 6.97 2d7iA1 TRP 547 HE1 -0.01 0.38 0.17 -0.04 10.20 10.71 2d7iA1 TRP 547 HE3 0.05 0.06 -0.28 -0.04 7.59 7.38 2d7iA1 TRP 547 HZ2 -0.15 -0.05 -0.30 -0.04 7.44 6.90 2d7iA1 TRP 547 HZ3 -0.06 0.00 -0.13 -0.04 7.13 6.90 2d7iA1 TRP 547 HH2 -0.22 -0.07 -0.17 -0.04 7.19 6.69 2d7iA1 LYS 548 H 0.57 0.25 0.11 -0.55 8.42 8.80 2d7iA1 LYS 548 HA 0.42 0.15 0.76 -0.75 4.32 4.90 2d7iA1 LYS 548 HB2 0.43 0.10 -0.15 -0.04 1.87 2.20 2d7iA1 LYS 548 HB3 0.50 -0.19 0.07 -0.04 1.79 2.12 2d7iA1 LYS 548 HG2 0.34 0.21 0.15 -0.04 1.46 2.12 2d7iA1 LYS 548 HG3 0.45 -0.05 -0.03 -0.04 1.46 1.78 2d7iA1 LYS 548 HD2 0.22 0.01 0.10 -0.04 1.69 1.98 2d7iA1 LYS 548 HD3 0.21 -0.15 -0.08 -0.04 1.68 1.62 2d7iA1 LYS 548 HE2 0.20 -0.05 -0.29 -0.04 2.99 2.80 2d7iA1 LYS 548 HE3 0.22 0.13 0.02 -0.04 2.99 3.32 2d7iA1 TYR 549 H 0.14 0.25 0.09 -0.55 8.29 8.22 2d7iA1 TYR 549 HA 0.06 0.35 0.98 -0.75 4.56 5.21 2d7iA1 TYR 549 HB2 -0.60 -0.03 -0.02 -0.04 3.06 2.37 2d7iA1 TYR 549 HB3 -0.39 -0.01 0.17 -0.04 2.98 2.71 2d7iA1 TYR 549 HD2 -0.08 0.02 -0.14 -0.04 7.15 6.91 2d7iA1 TYR 549 HE2 0.13 -0.02 -0.17 -0.04 6.85 6.75 2d7iA1 ARG 550 H 0.00 0.29 0.21 -0.55 8.46 8.41 2d7iA1 ARG 550 HA -0.07 0.29 0.82 -0.75 4.34 4.63 2d7iA1 ARG 550 HB2 0.02 0.07 0.09 -0.04 1.90 2.04 2d7iA1 ARG 550 HB3 -0.04 -0.24 0.05 -0.04 1.80 1.53 2d7iA1 ARG 550 HG2 0.02 0.12 0.00 -0.04 1.67 1.77 2d7iA1 ARG 550 HG3 -0.03 0.02 0.04 -0.04 1.67 1.66 2d7iA1 ARG 550 HD2 -0.04 -0.19 0.17 -0.04 3.22 3.12 2d7iA1 ARG 550 HD3 -0.03 0.11 0.18 -0.04 3.22 3.44 2d7iA1 LYS 551 H -0.08 0.21 0.18 -0.55 8.42 8.18 2d7iA1 LYS 551 HA -0.14 0.11 0.43 -0.75 4.32 3.97 2d7iA1 LYS 551 HB2 -0.05 -0.00 0.08 -0.04 1.87 1.85 2d7iA1 LYS 551 HB3 -0.05 0.03 0.10 -0.04 1.79 1.83 2d7iA1 LYS 551 HG2 -0.06 -0.01 0.13 -0.04 1.46 1.49 2d7iA1 LYS 551 HG3 -0.04 0.03 0.07 -0.04 1.46 1.49 2d7iA1 LYS 551 HD2 -0.03 0.03 0.02 -0.04 1.69 1.67 2d7iA1 LYS 551 HD3 -0.03 -0.00 0.04 -0.04 1.68 1.64 2d7iA1 LYS 551 HE2 -0.06 0.04 -0.02 -0.04 2.99 2.91 2d7iA1 LYS 551 HE3 -0.03 -0.03 0.00 -0.04 2.99 2.90 2d7iA1 ASP 552 H -0.07 0.01 -0.32 -0.55 8.40 7.47 2d7iA1 ASP 552 HA -0.04 0.16 0.47 -0.75 4.63 4.46 2d7iA1 ASP 552 HB2 -0.01 0.05 0.15 -0.04 2.71 2.86 2d7iA1 ASP 552 HB3 -0.02 -0.01 0.08 -0.04 2.70 2.71 2d7iA1 LYS 553 H -0.18 0.28 -0.85 -0.55 8.42 7.12 2d7iA1 LYS 553 HA -0.28 0.07 0.34 -0.75 4.32 3.70 2d7iA1 LYS 553 HB2 -0.01 0.03 -0.29 -0.04 1.87 1.57 2d7iA1 LYS 553 HB3 0.09 -0.17 0.33 -0.04 1.79 2.00 2d7iA1 LYS 553 HG2 0.03 -0.08 0.01 -0.04 1.46 1.38 2d7iA1 LYS 553 HG3 0.13 0.19 0.17 -0.04 1.46 1.90 2d7iA1 LYS 553 HD2 -0.21 0.04 0.06 -0.04 1.69 1.54 2d7iA1 LYS 553 HD3 -0.06 0.11 0.02 -0.04 1.68 1.71 2d7iA1 LYS 553 HE2 0.00 -0.04 0.03 -0.04 2.99 2.94 2d7iA1 LYS 553 HE3 0.03 -0.04 0.04 -0.04 2.99 2.98 2d7iA1 THR 554 H 0.02 0.12 0.06 -0.55 8.28 7.94 2d7iA1 THR 554 HA 0.45 0.37 0.89 -0.75 4.39 5.35 2d7iA1 THR 554 HB 0.19 -0.13 -0.09 -0.04 4.32 4.26 2d7iA1 THR 554 HG23 0.28 0.04 -0.01 -0.04 1.22 1.48 2d7iA1 LEU 555 H 0.43 0.22 0.10 -0.55 8.37 8.58 2d7iA1 LEU 555 HA 0.43 0.30 0.81 -0.75 4.35 5.14 2d7iA1 LEU 555 HB2 0.05 -0.06 0.18 -0.04 1.64 1.77 2d7iA1 LEU 555 HB3 0.13 0.05 0.03 -0.04 1.64 1.81 2d7iA1 LEU 555 HG 0.06 -0.04 -0.18 -0.04 1.64 1.44 2d7iA1 LEU 555 HD13 -0.88 0.00 -0.13 -0.04 0.93 -0.12 2d7iA1 LEU 555 HD23 0.12 0.02 -0.21 -0.04 0.89 0.78 2d7iA1 TYR 556 H 0.47 0.61 0.15 -0.55 8.29 8.96 2d7iA1 TYR 556 HA 0.25 -0.02 0.41 -0.75 4.56 4.45 2d7iA1 TYR 556 HB2 0.17 -0.08 0.02 -0.04 3.06 3.13 2d7iA1 TYR 556 HB3 0.20 0.03 0.14 -0.04 2.98 3.31 2d7iA1 TYR 556 HD2 0.13 -0.00 -0.16 -0.04 7.15 7.08 2d7iA1 TYR 556 HE2 0.07 0.03 -0.14 -0.04 6.85 6.77 2d7iA1 HIS 557 H -0.02 0.52 0.23 -0.55 8.41 8.59 2d7iA1 HIS 557 HA -0.56 0.38 0.96 -0.75 4.63 4.65 2d7iA1 HIS 557 HB2 -0.27 0.02 0.02 -0.04 3.26 2.99 2d7iA1 HIS 557 HB3 -0.19 -0.07 0.25 -0.04 3.20 3.14 2d7iA1 HIS 557 HD2 -0.75 0.37 0.15 -0.04 6.97 6.69 2d7iA1 HIS 557 HE1 -0.18 0.50 0.14 -0.04 7.75 8.16 2d7iA1 PRO 558 HA -0.43 0.02 0.52 -0.51 4.44 4.04 2d7iA1 PRO 558 HB2 -0.05 0.04 -0.01 -0.04 2.28 2.21 2d7iA1 PRO 558 HB3 0.01 0.00 0.04 -0.04 2.02 2.03 2d7iA1 PRO 558 HG2 -0.21 0.05 0.12 -0.04 2.03 1.95 2d7iA1 PRO 558 HG3 -0.08 0.09 -0.02 -0.04 2.03 1.98 2d7iA1 PRO 558 HD2 -0.30 0.50 0.25 -0.04 3.68 4.09 2d7iA1 PRO 558 HD3 -0.64 0.09 -0.20 -0.04 3.65 2.85 2d7iA1 VAL 559 H -0.44 0.29 -0.06 -0.55 8.24 7.48 2d7iA1 VAL 559 HA -0.18 0.08 0.46 -0.75 4.13 3.74 2d7iA1 VAL 559 HB -0.21 0.16 0.13 -0.04 2.12 2.16 2d7iA1 VAL 559 HG13 -0.57 -0.01 -0.12 -0.04 0.97 0.22 2d7iA1 VAL 559 HG23 -0.12 -0.04 0.04 -0.04 0.95 0.79 2d7iA1 SER 560 H -0.50 0.05 -0.59 -0.55 8.46 6.88 2d7iA1 SER 560 HA -0.14 0.16 0.77 -0.75 4.49 4.52 2d7iA1 SER 560 HB2 -0.45 0.16 -0.13 -0.04 3.95 3.48 2d7iA1 SER 560 HB3 -0.30 -0.02 -0.00 -0.04 3.93 3.56 2d7iA1 GLY 561 H -0.20 0.08 0.08 -0.55 8.43 7.85 2d7iA1 GLY 561 HA2 0.12 -0.02 0.37 -0.51 4.01 3.97 2d7iA1 GLY 561 HA3 0.04 0.01 0.41 -0.51 4.01 3.97 2d7iA1 SER 562 H 0.02 0.14 -0.37 -0.55 8.46 7.71 2d7iA1 SER 562 HA 0.16 0.09 1.02 -0.75 4.49 5.00 2d7iA1 SER 562 HB2 0.21 0.15 0.22 -0.04 3.95 4.50 2d7iA1 SER 562 HB3 0.17 -0.01 -0.02 -0.04 3.93 4.03 2d7iA1 CYS 563 H 0.21 0.44 0.23 -0.55 8.50 8.84 2d7iA1 CYS 563 HA 0.34 0.23 0.85 -0.75 4.58 5.25 2d7iA1 CYS 563 HB2 0.21 -0.00 -0.10 -0.04 2.97 3.04 2d7iA1 CYS 563 HB3 0.28 0.04 -0.01 -0.04 2.97 3.24 2d7iA1 MET 564 H 0.36 0.11 0.09 -0.55 8.47 8.48 2d7iA1 MET 564 HA 0.24 0.11 0.58 -0.75 4.52 4.69 2d7iA1 MET 564 HB2 0.14 0.10 0.06 -0.04 2.15 2.42 2d7iA1 MET 564 HB3 0.21 -0.07 0.05 -0.04 2.03 2.18 2d7iA1 MET 564 HG2 -0.03 0.03 -0.21 -0.04 2.63 2.38 2d7iA1 MET 564 HG3 -0.02 0.00 -0.13 -0.04 2.56 2.37 2d7iA1 MET 564 HE3 -1.38 -0.00 -0.14 -0.04 2.10 0.54 2d7iA1 ASP 565 H 0.12 0.55 0.14 -0.55 8.40 8.66 2d7iA1 ASP 565 HA 0.10 0.25 0.75 -0.75 4.63 4.98 2d7iA1 ASP 565 HB2 0.11 -0.05 -0.36 -0.04 2.71 2.37 2d7iA1 ASP 565 HB3 -0.01 0.16 -0.16 -0.04 2.70 2.65 2d7iA1 CYS 566 H -0.18 0.21 0.16 -0.55 8.50 8.15 2d7iA1 CYS 566 HA -0.58 0.13 0.89 -0.75 4.58 4.27 2d7iA1 CYS 566 HB2 -0.06 0.14 -0.06 -0.04 2.97 2.95 2d7iA1 CYS 566 HB3 0.08 0.05 -0.18 -0.04 2.97 2.87 2d7iA1 SER 567 H -0.19 0.46 0.09 -0.55 8.46 8.28 2d7iA1 SER 567 HA 0.12 0.03 0.50 -0.75 4.49 4.38 2d7iA1 SER 567 HB2 0.56 0.09 0.07 -0.04 3.95 4.63 2d7iA1 SER 567 HB3 0.32 -0.05 0.07 -0.04 3.93 4.23 2d7iA1 GLU 568 H 0.03 0.18 0.25 -0.55 8.60 8.51 2d7iA1 GLU 568 HA -0.04 0.07 0.39 -0.75 4.29 3.96 2d7iA1 GLU 568 HB2 0.00 -0.01 0.19 -0.04 2.09 2.24 2d7iA1 GLU 568 HB3 -0.00 0.05 -0.03 -0.04 1.99 1.96 2d7iA1 GLU 568 HG2 -0.06 -0.04 0.06 -0.04 2.34 2.26 2d7iA1 GLU 568 HG3 -0.03 0.00 0.04 -0.04 2.34 2.30 2d7iA1 SER 569 H 0.08 0.01 -0.45 -0.55 8.46 7.56 2d7iA1 SER 569 HA -0.01 0.11 0.41 -0.75 4.49 4.25 2d7iA1 SER 569 HB2 0.04 0.05 0.13 -0.04 3.95 4.13 2d7iA1 SER 569 HB3 0.08 -0.03 0.05 -0.04 3.93 3.98 2d7iA1 ASP 570 H -0.04 0.33 -1.08 -0.55 8.40 7.06 2d7iA1 ASP 570 HA -0.05 0.02 0.28 -0.75 4.63 4.12 2d7iA1 ASP 570 HB2 -0.14 0.09 -0.08 -0.04 2.71 2.54 2d7iA1 ASP 570 HB3 -0.10 -0.03 0.16 -0.04 2.70 2.70 2d7iA1 HIS 571 H 0.07 0.37 -0.02 -0.55 8.41 8.28 2d7iA1 HIS 571 HA 0.04 0.21 0.89 -0.75 4.63 5.02 2d7iA1 HIS 571 HB2 0.12 -0.10 -0.02 -0.04 3.26 3.21 2d7iA1 HIS 571 HB3 0.14 -0.11 0.15 -0.04 3.20 3.34 2d7iA1 HIS 571 HD2 0.04 -0.05 0.11 -0.04 6.97 7.03 2d7iA1 HIS 571 HE1 0.03 -0.04 -0.01 -0.04 7.75 7.68 2d7iA1 ARG 572 H 0.25 0.07 0.12 -0.55 8.46 8.35 2d7iA1 ARG 572 HA 0.08 0.01 0.35 -0.75 4.34 4.02 2d7iA1 ARG 572 HB2 0.21 0.02 -0.07 -0.04 1.90 2.02 2d7iA1 ARG 572 HB3 0.09 0.04 0.05 -0.04 1.80 1.93 2d7iA1 ARG 572 HG2 0.10 0.00 0.06 -0.04 1.67 1.79 2d7iA1 ARG 572 HG3 0.13 -0.05 0.12 -0.04 1.67 1.83 2d7iA1 ARG 572 HD2 0.04 -0.01 0.04 -0.04 3.22 3.25 2d7iA1 ARG 572 HD3 0.06 0.03 0.02 -0.04 3.22 3.29 2d7iA1 ILE 573 H 0.02 0.27 0.14 -0.55 8.25 8.12 2d7iA1 ILE 573 HA -0.17 0.08 0.98 -0.75 4.18 4.32 2d7iA1 ILE 573 HB -0.12 0.12 0.26 -0.04 1.89 2.11 2d7iA1 ILE 573 HG12 0.15 -0.07 -0.12 -0.04 1.49 1.41 2d7iA1 ILE 573 HG13 0.02 -0.10 -0.13 -0.04 1.21 0.96 2d7iA1 ILE 573 HG23 -0.05 -0.01 -0.15 -0.04 0.93 0.68 2d7iA1 ILE 573 HD13 -0.03 0.00 -0.10 -0.04 0.88 0.71 2d7iA1 PHE 574 H -0.60 0.57 0.28 -0.55 8.34 8.04 2d7iA1 PHE 574 HA 0.04 0.03 0.71 -0.75 4.62 4.66 2d7iA1 PHE 574 HB2 0.04 0.44 -0.16 -0.04 3.15 3.43 2d7iA1 PHE 574 HB3 0.02 -0.11 -0.25 -0.04 3.06 2.69 2d7iA1 PHE 574 HD2 0.05 0.17 -0.34 -0.04 7.28 7.11 2d7iA1 PHE 574 HE2 0.05 -0.06 -0.10 -0.04 7.38 7.22 2d7iA1 PHE 574 HZ 0.04 -0.09 -0.12 -0.04 7.32 7.11 2d7iA1 MET 575 H 0.25 0.56 -0.18 -0.55 8.47 8.55 2d7iA1 MET 575 HA 0.24 0.17 0.47 -0.75 4.52 4.65 2d7iA1 MET 575 HB2 0.19 -0.31 -0.57 -0.04 2.15 1.43 2d7iA1 MET 575 HB3 0.24 0.02 -0.14 -0.04 2.03 2.11 2d7iA1 MET 575 HG2 0.20 0.20 -0.10 -0.04 2.63 2.89 2d7iA1 MET 575 HG3 0.22 0.12 -0.15 -0.04 2.56 2.71 2d7iA1 MET 575 HE3 0.24 -0.04 -0.23 -0.04 2.10 2.03 2d7iA1 ASN 576 H 0.24 0.42 0.23 -0.55 8.53 8.87 2d7iA1 ASN 576 HA 0.27 0.22 0.51 -0.75 4.76 5.01 2d7iA1 ASN 576 HB2 0.33 0.16 -0.51 -0.04 2.88 2.81 2d7iA1 ASN 576 HB3 0.19 -0.01 -0.19 -0.04 2.79 2.74 2d7iA1 ASN 576 HD21 0.15 -0.08 0.07 -0.04 7.03 7.14 2d7iA1 ASN 576 HD22 0.23 0.20 0.21 -0.04 7.74 8.33 2d7iA1 THR 577 H 0.13 0.10 0.14 -0.55 8.28 8.10 2d7iA1 THR 577 HA 0.06 0.06 0.58 -0.75 4.39 4.34 2d7iA1 THR 577 HB 0.03 -0.01 0.15 -0.04 4.32 4.44 2d7iA1 THR 577 HG23 0.07 -0.02 0.10 -0.04 1.22 1.34 2d7iA1 CYS 578 H 0.10 0.15 0.28 -0.55 8.50 8.49 2d7iA1 CYS 578 HA 0.13 0.01 0.29 -0.75 4.58 4.25 2d7iA1 CYS 578 HB2 0.09 0.03 0.08 -0.04 2.97 3.13 2d7iA1 CYS 578 HB3 0.10 -0.04 0.01 -0.04 2.97 2.99 2d7iA1 ASN 579 H 0.08 0.12 -0.03 -0.55 8.53 8.15 2d7iA1 ASN 579 HA 0.03 0.13 0.45 -0.75 4.76 4.61 2d7iA1 ASN 579 HB2 0.04 0.36 -0.21 -0.04 2.88 3.03 2d7iA1 ASN 579 HB3 0.03 -0.10 0.12 -0.04 2.79 2.80 2d7iA1 ASN 579 HD21 0.01 0.02 -0.02 -0.04 7.03 7.00 2d7iA1 ASN 579 HD22 0.02 0.02 0.02 -0.04 7.74 7.75 2d7iA1 PRO 580 HA 0.02 0.20 0.39 -0.51 4.44 4.53 2d7iA1 PRO 580 HB2 -0.00 0.02 0.07 -0.04 2.28 2.33 2d7iA1 PRO 580 HB3 -0.00 0.04 0.17 -0.04 2.02 2.18 2d7iA1 PRO 580 HG2 -0.00 0.06 0.04 -0.04 2.03 2.08 2d7iA1 PRO 580 HG3 0.02 0.03 0.02 -0.04 2.03 2.05 2d7iA1 PRO 580 HD2 0.01 0.15 0.09 -0.04 3.68 3.89 2d7iA1 PRO 580 HD3 0.03 0.08 0.02 -0.04 3.65 3.74 2d7iA1 SER 581 H 0.00 0.04 -0.93 -0.55 8.46 7.03 2d7iA1 SER 581 HA -0.01 0.22 0.88 -0.75 4.49 4.83 2d7iA1 SER 581 HB2 -0.01 -0.00 0.04 -0.04 3.95 3.94 2d7iA1 SER 581 HB3 -0.00 -0.01 -0.15 -0.04 3.93 3.72 2d7iA1 SER 582 H -0.00 0.27 0.18 -0.55 8.46 8.35 2d7iA1 SER 582 HA -0.02 0.07 0.53 -0.75 4.49 4.31 2d7iA1 SER 582 HB2 0.00 0.05 0.15 -0.04 3.95 4.11 2d7iA1 SER 582 HB3 -0.01 0.11 0.11 -0.04 3.93 4.10 2d7iA1 LEU 583 H -0.07 0.06 0.24 -0.55 8.37 8.06 2d7iA1 LEU 583 HA -0.11 0.33 0.91 -0.75 4.35 4.73 2d7iA1 LEU 583 HB2 -0.11 0.04 -0.01 -0.04 1.64 1.52 2d7iA1 LEU 583 HB3 -0.07 0.12 0.02 -0.04 1.64 1.66 2d7iA1 LEU 583 HG -0.09 -0.08 -0.00 -0.04 1.64 1.42 2d7iA1 LEU 583 HD13 -0.07 0.04 0.01 -0.04 0.93 0.87 2d7iA1 LEU 583 HD23 -0.05 -0.02 0.12 -0.04 0.89 0.90 2d7iA1 THR 584 H -0.11 0.06 0.15 -0.55 8.28 7.83 2d7iA1 THR 584 HA -0.31 0.05 0.60 -0.75 4.39 3.98 2d7iA1 THR 584 HB -0.16 0.07 0.25 -0.04 4.32 4.44 2d7iA1 THR 584 HG23 -0.10 -0.03 0.09 -0.04 1.22 1.14 2d7iA1 GLN 585 H -0.17 0.01 -0.53 -0.55 8.47 7.24 2d7iA1 GLN 585 HA -0.03 0.39 0.90 -0.75 4.36 4.87 2d7iA1 GLN 585 HB2 0.01 0.02 -0.08 -0.04 2.15 2.06 2d7iA1 GLN 585 HB3 0.13 -0.03 0.06 -0.04 2.02 2.13 2d7iA1 GLN 585 HG2 0.10 0.17 -0.22 -0.04 2.40 2.41 2d7iA1 GLN 585 HG3 0.01 -0.21 -0.23 -0.04 2.39 1.92 2d7iA1 GLN 585 HE21 0.12 0.33 -0.56 -0.04 6.97 6.82 2d7iA1 GLN 585 HE22 0.15 0.01 -0.53 -0.04 7.69 7.29 2d7iA1 GLN 586 H -0.34 0.00 -0.34 -0.55 8.47 7.25 2d7iA1 GLN 586 HA -0.03 0.68 0.91 -0.75 4.36 5.17 2d7iA1 GLN 586 HB2 -0.12 0.04 0.15 -0.04 2.15 2.18 2d7iA1 GLN 586 HB3 -0.18 -0.17 0.20 -0.04 2.02 1.83 2d7iA1 GLN 586 HG2 -0.02 -0.00 -0.01 -0.04 2.40 2.33 2d7iA1 GLN 586 HG3 -0.02 0.21 0.09 -0.04 2.39 2.62 2d7iA1 GLN 586 HE21 -0.03 -0.05 -0.02 -0.04 6.97 6.82 2d7iA1 GLN 586 HE22 -0.02 0.02 -0.04 -0.04 7.69 7.60 2d7iA1 TRP 587 H 0.31 0.49 0.16 -0.55 7.97 8.39 2d7iA1 TRP 587 HA 0.00 0.22 0.98 -0.75 4.62 5.07 2d7iA1 TRP 587 HB2 0.20 -0.05 -0.20 -0.04 3.23 3.14 2d7iA1 TRP 587 HB3 -0.07 -0.05 -0.19 -0.04 3.23 2.87 2d7iA1 TRP 587 HD1 0.11 0.01 -0.11 -0.04 7.22 7.19 2d7iA1 TRP 587 HE1 0.01 0.22 -0.15 -0.04 10.20 10.23 2d7iA1 TRP 587 HE3 -0.14 -0.03 -0.56 -0.04 7.59 6.82 2d7iA1 TRP 587 HZ2 -0.12 0.01 -0.37 -0.04 7.44 6.92 2d7iA1 TRP 587 HZ3 -0.13 -0.00 -0.22 -0.04 7.13 6.73 2d7iA1 TRP 587 HH2 -0.14 0.00 -0.20 -0.04 7.19 6.81 2d7iA1 LEU 588 H 0.21 0.43 0.14 -0.55 8.37 8.59 2d7iA1 LEU 588 HA 0.30 0.11 0.88 -0.75 4.35 4.88 2d7iA1 LEU 588 HB2 0.04 -0.03 0.09 -0.04 1.64 1.69 2d7iA1 LEU 588 HB3 0.06 0.07 -0.01 -0.04 1.64 1.72 2d7iA1 LEU 588 HG 0.05 -0.07 -0.47 -0.04 1.64 1.11 2d7iA1 LEU 588 HD13 -0.00 -0.01 -0.10 -0.04 0.93 0.78 2d7iA1 LEU 588 HD23 0.09 0.05 -0.01 -0.04 0.89 0.97 2d7iA1 PHE 589 H 0.31 0.13 0.06 -0.55 8.34 8.30 2d7iA1 PHE 589 HA -0.09 0.30 0.70 -0.75 4.62 4.78 2d7iA1 PHE 589 HB2 -0.16 0.00 0.02 -0.04 3.15 2.97 2d7iA1 PHE 589 HB3 -0.20 0.03 -0.03 -0.04 3.06 2.82 2d7iA1 PHE 589 HD2 -0.42 -0.06 -0.32 -0.04 7.28 6.44 2d7iA1 PHE 589 HE2 -0.32 0.01 -0.34 -0.04 7.38 6.68 2d7iA1 PHE 589 HZ -0.21 0.02 -0.25 -0.04 7.32 6.83 2d7iA1 GLU 590 H -0.11 0.10 0.10 -0.55 8.60 8.14 2d7iA1 GLU 590 HA -0.25 0.09 0.53 -0.75 4.29 3.91 2d7iA1 GLU 590 HB2 -0.26 -0.24 0.32 -0.04 2.09 1.86 2d7iA1 GLU 590 HB3 -0.73 0.13 0.38 -0.04 1.99 1.73 2d7iA1 GLU 590 HG2 -1.12 0.04 -0.03 -0.04 2.34 1.19 2d7iA1 GLU 590 HG3 -0.31 0.03 0.11 -0.04 2.34 2.13 2d7iA1 HIS 591 H -0.56 0.30 0.23 -0.55 8.41 7.83 2d7iA1 HIS 591 HA -0.36 0.21 0.92 -0.75 4.63 4.66 2d7iA1 HIS 591 HB2 -2.73 -0.04 0.08 -0.04 3.26 0.54 2d7iA1 HIS 591 HB3 -0.99 0.00 0.18 -0.04 3.20 2.34 2d7iA1 HIS 591 HD2 -0.91 0.03 -0.04 -0.04 6.97 6.01 2d7iA1 HIS 591 HE1 -0.04 0.01 -0.02 -0.04 7.75 7.65 2d7iA1 THR 592 H -0.24 0.23 0.23 -0.55 8.28 7.96 2d7iA1 THR 592 HA -0.03 0.30 0.69 -0.75 4.39 4.59 2d7iA1 THR 592 HB 0.03 -0.20 0.10 -0.04 4.32 4.21 2d7iA1 THR 592 HG23 -0.01 0.10 0.01 -0.04 1.22 1.27 2d7iA1 ASN 593 H 0.10 0.18 0.06 -0.55 8.53 8.32 2d7iA1 ASN 593 HA 0.12 0.06 0.61 -0.75 4.76 4.79 2d7iA1 ASN 593 HB2 0.28 0.16 -0.03 -0.04 2.88 3.25 2d7iA1 ASN 593 HB3 0.20 0.13 0.23 -0.04 2.79 3.30 2d7iA1 ASN 593 HD21 0.08 -0.01 0.03 -0.04 7.03 7.09 2d7iA1 ASN 593 HD22 0.14 0.08 0.10 -0.04 7.74 8.01 2d7iA1 SER 594 H 0.06 0.24 0.10 -0.55 8.46 8.31 2d7iA1 SER 594 HA 0.04 0.07 0.40 -0.75 4.49 4.24 2d7iA1 SER 594 HB2 0.03 0.01 0.06 -0.04 3.95 4.02 2d7iA1 SER 594 HB3 0.02 0.07 0.02 -0.04 3.93 4.00 2d7iA1 THR 595 H 0.06 0.07 -0.40 -0.55 8.28 7.47 2d7iA1 THR 595 HA 0.04 0.08 0.35 -0.75 4.39 4.10 2d7iA1 THR 595 HB 0.06 0.06 -0.03 -0.04 4.32 4.37 2d7iA1 THR 595 HG23 0.03 0.02 0.03 -0.04 1.22 1.26 2d7iA1 VAL 596 H 0.08 0.67 -0.20 -0.55 8.24 8.24 2d7iA1 VAL 596 HA 0.09 0.18 0.82 -0.75 4.13 4.46 2d7iA1 VAL 596 HB 0.12 0.09 0.08 -0.04 2.12 2.37 2d7iA1 VAL 596 HG13 0.16 0.01 -0.06 -0.04 0.97 1.04 2d7iA1 VAL 596 HG23 0.10 0.00 -0.11 -0.04 0.95 0.90 2d7iA1 LEU 597 H 0.07 0.15 0.03 -0.55 8.37 8.06 2d7iA1 LEU 597 HA 0.07 0.12 0.48 -0.75 4.35 4.27 2d7iA1 LEU 597 HB2 0.03 -0.10 0.12 -0.04 1.64 1.65 2d7iA1 LEU 597 HB3 0.01 0.07 0.10 -0.04 1.64 1.78 2d7iA1 LEU 597 HG 0.03 -0.02 -0.10 -0.04 1.64 1.51 2d7iA1 LEU 597 HD13 0.05 -0.02 -0.07 -0.04 0.93 0.85 2d7iA1 LEU 597 HD23 -0.05 0.06 0.01 -0.04 0.89 0.86 2d7iA1 GLU 598 H 0.06 0.21 -0.59 -0.55 8.60 7.72 2d7iA1 GLU 598 HA 0.03 0.09 0.63 -0.75 4.29 4.29 2d7iA1 GLU 598 HB2 0.02 -0.05 0.09 -0.04 2.09 2.10 2d7iA1 GLU 598 HB3 0.02 -0.04 -0.00 -0.04 1.99 1.93 2d7iA1 GLU 598 HG2 0.04 0.10 -0.19 -0.04 2.34 2.25 2d7iA1 GLU 598 HG3 0.03 0.00 -0.23 -0.04 2.34 2.10 2d7iA1 LYS 599 H 0.09 0.25 -0.55 -0.55 8.42 7.66 2d7iA1 LYS 599 HA 0.06 0.05 0.44 -0.75 4.32 4.12 2d7iA1 LYS 599 HB2 0.11 -0.00 0.26 -0.04 1.87 2.20 2d7iA1 LYS 599 HB3 0.17 -0.04 0.29 -0.04 1.79 2.17 2d7iA1 LYS 599 HG2 0.19 0.02 0.10 -0.04 1.46 1.73 2d7iA1 LYS 599 HG3 0.14 -0.01 -0.03 -0.04 1.46 1.52 2d7iA1 LYS 599 HD2 0.11 0.01 0.09 -0.04 1.69 1.86 2d7iA1 LYS 599 HD3 0.10 -0.01 0.05 -0.04 1.68 1.78 2d7iA1 LYS 599 HE2 0.05 -0.04 0.04 -0.04 2.99 3.00 2d7iA1 LYS 599 HE3 0.05 -0.02 0.04 -0.04 2.99 3.03 2d7iA1 PHE 600 H 0.27 0.20 0.04 -0.55 8.34 8.31 2d7iA1 PHE 600 HA 0.06 0.18 0.75 -0.75 4.62 4.85 2d7iA1 PHE 600 HB2 0.08 -0.01 0.14 -0.04 3.15 3.32 2d7iA1 PHE 600 HB3 0.11 0.03 0.26 -0.04 3.06 3.42 2d7iA1 PHE 600 HD2 0.07 -0.01 -0.05 -0.04 7.28 7.25 2d7iA1 PHE 600 HE2 0.04 -0.03 -0.03 -0.04 7.38 7.32 2d7iA1 PHE 600 HZ 0.03 -0.04 -0.01 -0.04 7.32 7.26 2d7iA1 ASN 601 H 0.01 0.22 -0.05 -0.55 8.53 8.17 2d7iA1 ASN 601 HA 0.16 0.11 0.64 -0.75 4.76 4.92 2d7iA1 ASN 601 HB2 0.06 -0.13 0.08 -0.04 2.88 2.85 2d7iA1 ASN 601 HB3 0.10 0.12 -0.21 -0.04 2.79 2.76 2d7iA1 ASN 601 HD21 0.00 -0.04 -0.04 -0.04 7.03 6.91 2d7iA1 ASN 601 HD22 0.01 -0.13 -0.02 -0.04 7.74 7.56 2d7iA1 ARG 602 H -0.09 0.11 0.24 -0.55 8.46 8.17 2d7iA1 ARG 602 HA -0.05 0.11 0.87 -0.75 4.34 4.52 2d7iA1 ARG 602 HB2 -0.05 0.00 0.09 -0.04 1.90 1.90 2d7iA1 ARG 602 HB3 -0.03 -0.02 -0.06 -0.04 1.80 1.65 2d7iA1 ARG 602 HG2 -0.07 0.13 0.21 -0.04 1.67 1.90 2d7iA1 ARG 602 HG3 -0.09 0.01 -0.08 -0.04 1.67 1.47 2d7iA1 ARG 602 HD2 -0.02 0.04 0.08 -0.04 3.22 3.28 2d7iA1 ARG 602 HD3 -0.03 0.00 0.07 -0.04 3.22 3.23 2d7iA1 ASN 603 H -0.06 0.09 0.06 -0.55 8.53 8.07 2d7iA1 ASN 603 HA -0.16 0.29 0.76 -0.75 4.76 4.89 2d7iA1 ASN 603 HB2 -0.05 0.03 0.05 -0.04 2.88 2.87 2d7iA1 ASN 603 HB3 -0.05 0.05 -0.08 -0.04 2.79 2.67 2d7iA1 ASN 603 HD21 -0.02 -0.01 0.03 -0.04 7.03 6.99 2d7iA1 ASN 603 HD22 -0.02 0.02 0.03 -0.04 7.74 7.72