============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TRP 5 1.040 2.348 123.562 35.799 -99.200 -91.000 TRP6 5 1.020 4.455 123.542 36.869 -99.200 -91.000 TYR 10 0.840 18.929 117.482 21.663 -99.200 -91.000 HIS 16 0.900 22.246 121.480 23.127 -99.200 -91.000 PHE 45 1.000 19.473 126.944 22.194 -99.200 -91.000 TYR 48 0.840 12.897 131.322 24.848 -99.200 -91.000 PHE 50 1.000 12.347 131.727 33.108 -99.200 -91.000 HIS 52 0.900 12.732 120.194 37.258 -99.200 -91.000 HIS 64 0.900 5.329 135.026 13.877 -99.200 -91.000 PHE 65 1.000 -4.181 137.708 10.414 -99.200 -91.000 HIS 66 0.900 -2.800 141.483 13.771 -99.200 -91.000 TYR 67 0.840 6.500 140.715 8.667 -99.200 -91.000 TYR 79 0.840 10.283 143.631 1.648 -99.200 -91.000 TRP 88 1.040 10.794 134.454 -5.984 -99.200 -91.000 TRP6 88 1.020 10.681 132.194 -5.287 -99.200 -91.000 TYR 91 0.840 5.632 129.921 -2.199 -99.200 -91.000 TRP 92 1.040 9.092 133.949 -0.527 -99.200 -91.000 TRP6 92 1.020 10.416 135.829 -1.090 -99.200 -91.000 HIS 95 0.900 3.706 127.409 2.297 -99.200 -91.000 PHE 115 1.000 1.240 141.915 -8.727 -99.200 -91.000 PHE 126 1.000 2.016 133.475 -14.103 -99.200 -91.000 TYR 133 0.840 12.260 141.193 -21.643 -99.200 -91.000 HIS 135 0.900 14.115 134.411 -13.438 -99.200 -91.000 TYR 140 0.840 8.510 127.095 -6.816 -99.200 -91.000 TYR 155 0.840 -7.208 125.449 -9.190 -99.200 -91.000 TYR 166 0.840 9.252 131.268 -20.127 -99.200 -91.000 TYR 168 0.840 8.348 121.528 -25.724 -99.200 -91.000 PHE 177 1.000 13.775 122.585 -18.590 -99.200 -91.000 HIS 180 0.900 16.649 135.782 -17.658 -99.200 -91.000 TYR 191 0.840 11.217 122.821 -6.823 -99.200 -91.000 PHE 208 1.000 10.320 118.478 -16.950 -99.200 -91.000 TRP 214 1.040 22.566 119.627 -16.306 -99.200 -91.000 TRP6 214 1.020 21.868 121.006 -14.517 -99.200 -91.000 TRP 221 1.040 33.523 116.738 -3.177 -99.200 -91.000 TRP6 221 1.020 33.982 117.120 -0.886 -99.200 -91.000 HIS 234 0.900 23.033 126.468 -1.276 -99.200 -91.000 TYR 237 0.840 22.034 126.407 -6.182 -99.200 -91.000 PHE 239 1.000 12.646 121.484 -1.782 -99.200 -91.000 TRP 262 1.040 25.913 117.457 2.099 -99.200 -91.000 TRP6 262 1.020 24.000 118.754 1.583 -99.200 -91.000 PHE 270 1.000 25.043 125.563 21.743 -99.200 -91.000 PHE 274 1.000 18.424 120.459 9.212 -99.200 -91.000 TYR 286 0.840 20.295 127.359 3.775 -99.200 -91.000 PHE 288 1.000 10.622 123.572 2.094 -99.200 -91.000 TRP 289 1.040 15.608 126.829 1.055 -99.200 -91.000 TRP6 289 1.020 14.093 126.656 -0.761 -99.200 -91.000 HIS 298 0.900 9.670 107.736 5.671 -99.200 -91.000 HIS 302 0.900 6.754 103.188 2.203 -99.200 -91.000 HIS 313 0.900 9.773 109.933 16.025 -99.200 -91.000 TRP 314 1.040 9.483 114.169 8.919 -99.200 -91.000 TRP6 314 1.020 8.522 112.840 7.212 -99.200 -91.000 PHE 316 1.000 13.859 117.051 10.584 -99.200 -91.000 HIS 317 0.900 16.697 116.038 18.441 -99.200 -91.000 TYR 324 0.840 18.076 128.242 14.778 -99.200 -91.000 PHE 346 1.000 6.563 140.559 4.348 -99.200 -91.000 TYR 347 0.840 14.348 133.111 1.826 -99.200 -91.000 HIS 348 0.900 15.689 134.507 6.195 -99.200 -91.000 TYR 351 0.840 11.144 129.198 1.455 -99.200 -91.000 HIS 361 0.900 1.850 118.600 11.430 -99.200 -91.000 PHE 362 1.000 6.805 109.422 9.694 -99.200 -91.000 HIS 369 0.900 4.448 110.028 16.730 -99.200 -91.000 HIS 384 0.900 3.474 117.334 -2.011 -99.200 -91.000 TYR 387 0.840 4.220 119.771 -6.496 -99.200 -91.000 TYR 400 0.840 -9.596 123.589 -12.730 -99.200 -91.000 PHE 401 1.000 -4.235 123.772 -13.425 -99.200 -91.000 PHE 409 1.000 2.421 114.601 -26.458 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2h6fB1 SER 515 HA -0.03 -0.06 0.14 -0.75 4.49 3.79 2h6fB1 SER 515 HB2 -0.05 -0.07 0.17 -0.04 3.95 3.96 2h6fB1 SER 515 HB3 -0.03 -0.02 0.08 -0.04 3.93 3.91 2h6fB1 SER 516 H -0.09 0.09 0.12 -0.55 8.46 8.03 2h6fB1 SER 516 HA -0.17 0.17 0.92 -0.75 4.49 4.65 2h6fB1 SER 516 HB2 -0.14 -0.03 0.15 -0.04 3.95 3.89 2h6fB1 SER 516 HB3 -0.25 0.18 0.13 -0.04 3.93 3.95 2h6fB1 PRO 517 HA -0.36 0.06 0.48 -0.51 4.44 4.11 2h6fB1 PRO 517 HB2 -2.48 -0.08 0.04 -0.04 2.28 -0.28 2h6fB1 PRO 517 HB3 -0.87 0.00 0.13 -0.04 2.02 1.24 2h6fB1 PRO 517 HG2 -0.71 0.02 0.08 -0.04 2.03 1.38 2h6fB1 PRO 517 HG3 -0.30 0.07 0.07 -0.04 2.03 1.83 2h6fB1 PRO 517 HD2 -0.64 0.09 0.23 -0.04 3.68 3.32 2h6fB1 PRO 517 HD3 -0.28 0.24 0.28 -0.04 3.65 3.84 2h6fB1 VAL 518 H -0.28 0.10 0.18 -0.55 8.24 7.69 2h6fB1 VAL 518 HA -0.15 0.19 0.36 -0.75 4.13 3.78 2h6fB1 VAL 518 HB -0.01 0.02 0.11 -0.04 2.12 2.20 2h6fB1 VAL 518 HG13 -0.05 0.01 0.10 -0.04 0.97 0.98 2h6fB1 VAL 518 HG23 0.07 -0.01 -0.02 -0.04 0.95 0.95 2h6fB1 TRP 519 H -0.83 -0.01 -0.42 -0.55 7.97 6.16 2h6fB1 TRP 519 HA -0.01 0.17 0.69 -0.75 4.62 4.72 2h6fB1 TRP 519 HB2 -0.02 0.01 0.12 -0.04 3.23 3.30 2h6fB1 TRP 519 HB3 -0.01 -0.01 0.03 -0.04 3.23 3.20 2h6fB1 TRP 519 HD1 -0.01 -0.01 0.00 -0.04 7.22 7.16 2h6fB1 TRP 519 HE1 -0.00 0.00 0.01 -0.04 10.20 10.17 2h6fB1 TRP 519 HE3 -0.02 0.02 -0.41 -0.04 7.59 7.14 2h6fB1 TRP 519 HZ2 0.00 -0.01 0.00 -0.04 7.44 7.40 2h6fB1 TRP 519 HZ3 -0.02 -0.00 -0.07 -0.04 7.13 6.99 2h6fB1 TRP 519 HH2 0.01 0.00 -0.02 -0.04 7.19 7.14 2h6fB1 SER 520 H -0.32 0.54 -0.34 -0.55 8.46 7.79 2h6fB1 SER 520 HA 0.09 0.23 0.64 -0.75 4.49 4.70 2h6fB1 SER 520 HB2 0.02 -0.07 -0.15 -0.04 3.95 3.71 2h6fB1 SER 520 HB3 -0.37 0.02 0.06 -0.04 3.93 3.60 2h6fB1 GLU 521 H 0.00 0.73 0.08 -0.55 8.60 8.87 2h6fB1 GLU 521 HA -0.07 0.20 0.92 -0.75 4.29 4.59 2h6fB1 GLU 521 HB2 -0.03 0.03 -0.12 -0.04 2.09 1.93 2h6fB1 GLU 521 HB3 -0.01 -0.04 0.07 -0.04 1.99 1.98 2h6fB1 GLU 521 HG2 -0.02 0.04 -0.15 -0.04 2.34 2.16 2h6fB1 GLU 521 HG3 -0.04 0.05 0.03 -0.04 2.34 2.34 2h6fB1 PRO 522 HA -0.04 0.04 0.41 -0.51 4.44 4.34 2h6fB1 PRO 522 HB2 -0.02 -0.03 -0.00 -0.04 2.28 2.18 2h6fB1 PRO 522 HB3 -0.02 0.02 0.01 -0.04 2.02 2.00 2h6fB1 PRO 522 HG2 -0.04 0.01 0.03 -0.04 2.03 1.99 2h6fB1 PRO 522 HG3 -0.08 0.07 -0.00 -0.04 2.03 1.97 2h6fB1 PRO 522 HD2 -0.06 0.07 0.18 -0.04 3.68 3.83 2h6fB1 PRO 522 HD3 -0.10 0.26 -0.02 -0.04 3.65 3.74 2h6fB1 LEU 523 H -0.05 0.18 0.14 -0.55 8.37 8.09 2h6fB1 LEU 523 HA -0.04 0.20 0.95 -0.75 4.35 4.71 2h6fB1 LEU 523 HB2 -0.13 0.01 0.03 -0.04 1.64 1.51 2h6fB1 LEU 523 HB3 -0.16 -0.14 0.02 -0.04 1.64 1.32 2h6fB1 LEU 523 HG -0.04 0.23 -0.11 -0.04 1.64 1.68 2h6fB1 LEU 523 HD13 -0.10 0.01 -0.04 -0.04 0.93 0.76 2h6fB1 LEU 523 HD23 -0.05 0.01 -0.08 -0.04 0.89 0.73 2h6fB1 TYR 524 H 0.04 0.19 0.10 -0.55 8.29 8.08 2h6fB1 TYR 524 HA -0.10 0.09 0.39 -0.75 4.56 4.18 2h6fB1 TYR 524 HB2 -0.03 0.02 0.09 -0.04 3.06 3.09 2h6fB1 TYR 524 HB3 -0.20 -0.03 0.09 -0.04 2.98 2.79 2h6fB1 TYR 524 HD2 -0.16 0.01 -0.06 -0.04 7.15 6.90 2h6fB1 TYR 524 HE2 -0.06 0.07 -0.03 -0.04 6.85 6.79 2h6fB1 SER 525 H -0.34 0.08 -0.12 -0.55 8.46 7.54 2h6fB1 SER 525 HA -1.66 0.14 0.36 -0.75 4.49 2.58 2h6fB1 SER 525 HB2 -1.04 0.00 -0.05 -0.04 3.95 2.82 2h6fB1 SER 525 HB3 -2.14 0.07 0.05 -0.04 3.93 1.88 2h6fB1 LEU 526 H -0.32 0.17 -0.75 -0.55 8.37 6.93 2h6fB1 LEU 526 HA -0.17 0.21 0.77 -0.75 4.35 4.41 2h6fB1 LEU 526 HB2 -0.11 -0.02 0.00 -0.04 1.64 1.47 2h6fB1 LEU 526 HB3 -0.06 0.00 0.06 -0.04 1.64 1.59 2h6fB1 LEU 526 HG -0.22 -0.14 -0.21 -0.04 1.64 1.03 2h6fB1 LEU 526 HD13 -0.02 0.01 -0.12 -0.04 0.93 0.76 2h6fB1 LEU 526 HD23 -0.05 0.09 -0.20 -0.04 0.89 0.69 2h6fB1 ARG 527 H -0.23 0.35 -0.15 -0.55 8.46 7.88 2h6fB1 ARG 527 HA -0.04 0.10 0.45 -0.75 4.34 4.09 2h6fB1 ARG 527 HB2 -0.15 0.04 0.10 -0.04 1.90 1.85 2h6fB1 ARG 527 HB3 -0.05 -0.13 0.07 -0.04 1.80 1.65 2h6fB1 ARG 527 HG2 -0.03 -0.00 0.02 -0.04 1.67 1.61 2h6fB1 ARG 527 HG3 -0.11 0.13 0.14 -0.04 1.67 1.79 2h6fB1 ARG 527 HD2 -0.15 0.03 0.05 -0.04 3.22 3.11 2h6fB1 ARG 527 HD3 -0.01 -0.04 0.00 -0.04 3.22 3.13 2h6fB1 PRO 528 HA 0.02 0.15 0.45 -0.51 4.44 4.54 2h6fB1 PRO 528 HB2 0.01 0.01 0.01 -0.04 2.28 2.27 2h6fB1 PRO 528 HB3 0.01 0.07 0.13 -0.04 2.02 2.19 2h6fB1 PRO 528 HG2 -0.00 -0.06 0.11 -0.04 2.03 2.03 2h6fB1 PRO 528 HG3 0.00 0.07 0.09 -0.04 2.03 2.15 2h6fB1 PRO 528 HD2 -0.01 0.06 0.24 -0.04 3.68 3.93 2h6fB1 PRO 528 HD3 0.00 0.21 0.21 -0.04 3.65 4.03 2h6fB1 GLU 529 H -0.01 0.14 -0.19 -0.55 8.60 7.99 2h6fB1 GLU 529 HA -0.00 0.09 0.42 -0.75 4.29 4.05 2h6fB1 GLU 529 HB2 -0.01 0.02 0.07 -0.04 2.09 2.12 2h6fB1 GLU 529 HB3 -0.01 0.00 0.06 -0.04 1.99 2.00 2h6fB1 GLU 529 HG2 -0.05 0.07 -0.23 -0.04 2.34 2.08 2h6fB1 GLU 529 HG3 -0.02 0.02 -0.09 -0.04 2.34 2.21 2h6fB1 HIS 530 H 0.04 0.45 -0.64 -0.55 8.41 7.71 2h6fB1 HIS 530 HA -0.13 0.04 0.35 -0.75 4.63 4.14 2h6fB1 HIS 530 HB2 -0.28 -0.01 0.04 -0.04 3.26 2.97 2h6fB1 HIS 530 HB3 -0.10 0.16 -0.07 -0.04 3.20 3.15 2h6fB1 HIS 530 HD2 -0.09 -0.00 -0.09 -0.04 6.97 6.74 2h6fB1 HIS 530 HE1 -0.19 0.07 0.05 -0.04 7.75 7.64 2h6fB1 ALA 531 H 0.07 0.37 -0.35 -0.55 8.40 7.95 2h6fB1 ALA 531 HA 0.18 0.06 0.38 -0.75 4.34 4.20 2h6fB1 ALA 531 HB3 0.06 0.02 0.06 -0.04 1.41 1.51 2h6fB1 ARG 532 H -0.01 0.39 -0.44 -0.55 8.46 7.85 2h6fB1 ARG 532 HA -0.02 0.03 0.41 -0.75 4.34 4.01 2h6fB1 ARG 532 HB2 -0.03 0.16 0.03 -0.04 1.90 2.02 2h6fB1 ARG 532 HB3 -0.02 -0.06 0.10 -0.04 1.80 1.78 2h6fB1 ARG 532 HG2 -0.01 -0.04 0.01 -0.04 1.67 1.59 2h6fB1 ARG 532 HG3 -0.01 -0.03 0.05 -0.04 1.67 1.64 2h6fB1 ARG 532 HD2 -0.01 0.07 0.06 -0.04 3.22 3.29 2h6fB1 ARG 532 HD3 -0.01 -0.03 0.02 -0.04 3.22 3.15 2h6fB1 GLU 533 H -0.07 0.47 -0.60 -0.55 8.60 7.86 2h6fB1 GLU 533 HA -0.04 0.10 0.57 -0.75 4.29 4.16 2h6fB1 GLU 533 HB2 -0.21 0.21 -0.01 -0.04 2.09 2.04 2h6fB1 GLU 533 HB3 -0.05 -0.20 -0.16 -0.04 1.99 1.54 2h6fB1 GLU 533 HG2 -0.22 0.03 -0.01 -0.04 2.34 2.11 2h6fB1 GLU 533 HG3 -0.21 0.06 -0.02 -0.04 2.34 2.13 2h6fB1 ARG 534 H -0.08 0.37 -0.39 -0.55 8.46 7.81 2h6fB1 ARG 534 HA -0.40 -0.07 0.41 -0.75 4.34 3.53 2h6fB1 ARG 534 HB2 -0.14 0.10 0.05 -0.04 1.90 1.87 2h6fB1 ARG 534 HB3 -0.23 -0.07 0.03 -0.04 1.80 1.49 2h6fB1 ARG 534 HG2 -0.24 0.09 0.10 -0.04 1.67 1.57 2h6fB1 ARG 534 HG3 -0.21 -0.02 0.06 -0.04 1.67 1.45 2h6fB1 ARG 534 HD2 -1.34 -0.07 0.02 -0.04 3.22 1.78 2h6fB1 ARG 534 HD3 -1.28 0.05 -0.02 -0.04 3.22 1.93 2h6fB1 LEU 535 H -0.18 0.02 0.12 -0.55 8.37 7.78 2h6fB1 LEU 535 HA -0.06 0.08 0.34 -0.75 4.35 3.96 2h6fB1 LEU 535 HB2 -0.07 -0.00 0.07 -0.04 1.64 1.60 2h6fB1 LEU 535 HB3 -0.09 -0.03 0.07 -0.04 1.64 1.55 2h6fB1 LEU 535 HG -0.04 -0.06 -0.50 -0.04 1.64 1.00 2h6fB1 LEU 535 HD13 -0.03 -0.00 -0.03 -0.04 0.93 0.83 2h6fB1 LEU 535 HD23 -0.04 -0.03 -0.03 -0.04 0.89 0.75 2h6fB1 GLN 536 H -0.04 0.21 0.12 -0.55 8.47 8.23 2h6fB1 GLN 536 HA -0.04 0.13 0.82 -0.75 4.36 4.53 2h6fB1 GLN 536 HB2 -0.02 0.02 0.22 -0.04 2.15 2.32 2h6fB1 GLN 536 HB3 -0.02 -0.09 0.09 -0.04 2.02 1.96 2h6fB1 GLN 536 HG2 -0.03 -0.01 -0.00 -0.04 2.40 2.31 2h6fB1 GLN 536 HG3 -0.04 0.23 -0.12 -0.04 2.39 2.43 2h6fB1 GLN 536 HE21 -0.01 0.00 0.01 -0.04 6.97 6.93 2h6fB1 GLN 536 HE22 -0.02 -0.07 0.02 -0.04 7.69 7.58 2h6fB1 ASP 537 H -0.03 0.22 0.02 -0.55 8.40 8.06 2h6fB1 ASP 537 HA -0.02 0.24 0.71 -0.75 4.63 4.81 2h6fB1 ASP 537 HB2 -0.02 0.10 0.08 -0.04 2.71 2.84 2h6fB1 ASP 537 HB3 -0.02 0.03 -0.02 -0.04 2.70 2.64 2h6fB1 ASP 538 H -0.02 0.10 -0.33 -0.55 8.40 7.61 2h6fB1 ASP 538 HA -0.01 0.05 0.24 -0.75 4.63 4.16 2h6fB1 ASP 538 HB2 -0.01 0.16 -0.05 -0.04 2.71 2.77 2h6fB1 ASP 538 HB3 -0.01 0.01 0.15 -0.04 2.70 2.82 2h6fB1 SER 539 H -0.01 -0.05 -0.51 -0.55 8.46 7.34 2h6fB1 SER 539 HA -0.01 -0.03 0.18 -0.75 4.49 3.87 2h6fB1 SER 539 HB2 -0.01 0.26 -0.03 -0.04 3.95 4.14 2h6fB1 SER 539 HB3 -0.01 -0.02 0.19 -0.04 3.93 4.06 2h6fB1 VAL 540 H -0.01 0.56 -0.39 -0.55 8.24 7.85 2h6fB1 VAL 540 HA -0.00 0.14 0.86 -0.75 4.13 4.37 2h6fB1 VAL 540 HB -0.00 0.05 0.13 -0.04 2.12 2.25 2h6fB1 VAL 540 HG13 -0.00 -0.03 -0.11 -0.04 0.97 0.80 2h6fB1 VAL 540 HG23 -0.00 0.07 -0.15 -0.04 0.95 0.83 2h6fB1 GLU 541 H -0.01 0.20 0.01 -0.55 8.60 8.26 2h6fB1 GLU 541 HA -0.01 0.08 0.77 -0.75 4.29 4.38 2h6fB1 GLU 541 HB2 -0.01 0.03 0.05 -0.04 2.09 2.12 2h6fB1 GLU 541 HB3 -0.01 -0.01 -0.01 -0.04 1.99 1.93 2h6fB1 GLU 541 HG2 -0.01 -0.02 -0.14 -0.04 2.34 2.13 2h6fB1 GLU 541 HG3 -0.01 0.03 -0.11 -0.04 2.34 2.21 2h6fB1 THR 542 H -0.00 0.13 0.28 -0.55 8.28 8.14 2h6fB1 THR 542 HA 0.00 0.26 0.72 -0.75 4.39 4.62 2h6fB1 THR 542 HB 0.01 -0.03 0.18 -0.04 4.32 4.44 2h6fB1 THR 542 HG23 0.00 0.07 -0.21 -0.04 1.22 1.04 2h6fB1 VAL 543 H 0.01 0.25 0.16 -0.55 8.24 8.11 2h6fB1 VAL 543 HA 0.00 0.10 0.40 -0.75 4.13 3.87 2h6fB1 VAL 543 HB 0.01 -0.00 0.14 -0.04 2.12 2.23 2h6fB1 VAL 543 HG13 0.01 0.02 -0.04 -0.04 0.97 0.92 2h6fB1 VAL 543 HG23 0.01 0.03 0.09 -0.04 0.95 1.03 2h6fB1 THR 544 H 0.01 0.09 -0.17 -0.55 8.28 7.65 2h6fB1 THR 544 HA 0.01 0.11 0.40 -0.75 4.39 4.15 2h6fB1 THR 544 HB 0.01 -0.07 0.10 -0.04 4.32 4.32 2h6fB1 THR 544 HG23 0.01 0.05 -0.07 -0.04 1.22 1.17 2h6fB1 SER 545 H -0.00 0.08 -0.09 -0.55 8.46 7.90 2h6fB1 SER 545 HA -0.01 0.09 0.47 -0.75 4.49 4.28 2h6fB1 SER 545 HB2 -0.02 0.01 0.06 -0.04 3.95 3.96 2h6fB1 SER 545 HB3 -0.01 0.08 0.14 -0.04 3.93 4.10 2h6fB1 ILE 546 H -0.01 0.53 -0.08 -0.55 8.25 8.14 2h6fB1 ILE 546 HA -0.01 0.04 0.41 -0.75 4.18 3.85 2h6fB1 ILE 546 HB -0.00 0.07 0.14 -0.04 1.89 2.05 2h6fB1 ILE 546 HG12 -0.01 -0.00 -0.00 -0.04 1.49 1.44 2h6fB1 ILE 546 HG13 -0.01 0.01 0.02 -0.04 1.21 1.19 2h6fB1 ILE 546 HG23 -0.01 0.00 -0.13 -0.04 0.93 0.76 2h6fB1 ILE 546 HD13 -0.00 -0.01 -0.14 -0.04 0.88 0.69 2h6fB1 GLU 547 H -0.00 0.54 -0.11 -0.55 8.60 8.49 2h6fB1 GLU 547 HA -0.00 0.05 0.47 -0.75 4.29 4.05 2h6fB1 GLU 547 HB2 0.00 0.11 0.16 -0.04 2.09 2.32 2h6fB1 GLU 547 HB3 0.01 -0.05 0.04 -0.04 1.99 1.94 2h6fB1 GLU 547 HG2 0.00 0.16 0.13 -0.04 2.34 2.59 2h6fB1 GLU 547 HG3 0.01 -0.04 0.03 -0.04 2.34 2.30 2h6fB1 GLN 548 H -0.01 0.49 -0.13 -0.55 8.47 8.27 2h6fB1 GLN 548 HA -0.01 -0.01 0.44 -0.75 4.36 4.03 2h6fB1 GLN 548 HB2 -0.01 0.08 0.09 -0.04 2.15 2.26 2h6fB1 GLN 548 HB3 -0.02 0.06 0.18 -0.04 2.02 2.20 2h6fB1 GLN 548 HG2 -0.02 0.01 -0.02 -0.04 2.40 2.33 2h6fB1 GLN 548 HG3 -0.04 -0.03 -0.16 -0.04 2.39 2.12 2h6fB1 GLN 548 HE21 0.01 -0.05 0.03 -0.04 6.97 6.92 2h6fB1 GLN 548 HE22 -0.01 0.01 0.01 -0.04 7.69 7.66 2h6fB1 ALA 549 H -0.03 0.65 -0.11 -0.55 8.40 8.37 2h6fB1 ALA 549 HA -0.08 -0.02 0.44 -0.75 4.34 3.93 2h6fB1 ALA 549 HB3 -0.04 0.03 0.10 -0.04 1.41 1.45 2h6fB1 LYS 550 H -0.02 0.42 -0.23 -0.55 8.42 8.04 2h6fB1 LYS 550 HA -0.02 0.03 0.46 -0.75 4.32 4.03 2h6fB1 LYS 550 HB2 -0.01 0.13 0.20 -0.04 1.87 2.15 2h6fB1 LYS 550 HB3 -0.01 -0.03 0.04 -0.04 1.79 1.75 2h6fB1 LYS 550 HG2 -0.01 -0.04 0.05 -0.04 1.46 1.41 2h6fB1 LYS 550 HG3 -0.01 0.15 0.12 -0.04 1.46 1.68 2h6fB1 LYS 550 HD2 -0.01 -0.06 -0.06 -0.04 1.69 1.53 2h6fB1 LYS 550 HD3 -0.00 -0.04 -0.07 -0.04 1.68 1.53 2h6fB1 LYS 550 HE2 -0.00 0.02 0.01 -0.04 2.99 2.97 2h6fB1 LYS 550 HE3 -0.00 -0.00 0.00 -0.04 2.99 2.94 2h6fB1 VAL 551 H -0.01 0.44 -0.14 -0.55 8.24 7.98 2h6fB1 VAL 551 HA 0.01 0.07 0.48 -0.75 4.13 3.93 2h6fB1 VAL 551 HB 0.01 0.10 0.22 -0.04 2.12 2.41 2h6fB1 VAL 551 HG13 0.04 -0.02 -0.06 -0.04 0.97 0.88 2h6fB1 VAL 551 HG23 0.02 0.03 0.07 -0.04 0.95 1.03 2h6fB1 GLU 552 H -0.03 0.54 -0.03 -0.55 8.60 8.54 2h6fB1 GLU 552 HA 0.10 -0.01 0.39 -0.75 4.29 4.02 2h6fB1 GLU 552 HB2 -0.17 0.10 0.17 -0.04 2.09 2.14 2h6fB1 GLU 552 HB3 -0.52 -0.00 0.05 -0.04 1.99 1.47 2h6fB1 GLU 552 HG2 0.06 -0.07 0.05 -0.04 2.34 2.33 2h6fB1 GLU 552 HG3 -0.04 0.22 0.11 -0.04 2.34 2.59 2h6fB1 GLU 553 H -0.05 0.51 -0.24 -0.55 8.60 8.27 2h6fB1 GLU 553 HA -0.05 0.02 0.43 -0.75 4.29 3.93 2h6fB1 GLU 553 HB2 -0.05 0.05 0.15 -0.04 2.09 2.20 2h6fB1 GLU 553 HB3 -0.03 0.13 0.18 -0.04 1.99 2.23 2h6fB1 GLU 553 HG2 -0.02 -0.03 0.01 -0.04 2.34 2.25 2h6fB1 GLU 553 HG3 -0.01 -0.00 -0.14 -0.04 2.34 2.14 2h6fB1 LYS 554 H -0.01 0.43 -0.11 -0.55 8.42 8.18 2h6fB1 LYS 554 HA -0.01 0.02 0.47 -0.75 4.32 4.05 2h6fB1 LYS 554 HB2 -0.01 -0.01 0.14 -0.04 1.87 1.96 2h6fB1 LYS 554 HB3 -0.00 0.11 0.22 -0.04 1.79 2.08 2h6fB1 LYS 554 HG2 -0.01 0.03 -0.02 -0.04 1.46 1.42 2h6fB1 LYS 554 HG3 -0.02 -0.00 -0.20 -0.04 1.46 1.20 2h6fB1 LYS 554 HD2 -0.01 -0.03 0.12 -0.04 1.69 1.73 2h6fB1 LYS 554 HD3 -0.01 -0.01 0.03 -0.04 1.68 1.65 2h6fB1 LYS 554 HE2 -0.01 -0.03 -0.07 -0.04 2.99 2.84 2h6fB1 LYS 554 HE3 -0.01 0.02 -0.01 -0.04 2.99 2.95 2h6fB1 ILE 555 H 0.01 0.59 -0.04 -0.55 8.25 8.25 2h6fB1 ILE 555 HA -0.18 0.03 0.44 -0.75 4.18 3.72 2h6fB1 ILE 555 HB 0.13 0.04 0.12 -0.04 1.89 2.14 2h6fB1 ILE 555 HG12 0.03 0.31 0.09 -0.04 1.49 1.88 2h6fB1 ILE 555 HG13 0.07 -0.13 -0.01 -0.04 1.21 1.10 2h6fB1 ILE 555 HG23 -0.81 -0.01 -0.07 -0.04 0.93 0.00 2h6fB1 ILE 555 HD13 0.03 -0.01 0.04 -0.04 0.88 0.90 2h6fB1 GLN 556 H 0.10 0.60 -0.16 -0.55 8.47 8.47 2h6fB1 GLN 556 HA 0.27 0.04 0.42 -0.75 4.36 4.33 2h6fB1 GLN 556 HB2 0.29 0.01 0.12 -0.04 2.15 2.53 2h6fB1 GLN 556 HB3 0.09 0.11 0.15 -0.04 2.02 2.32 2h6fB1 GLN 556 HG2 0.13 -0.04 -0.00 -0.04 2.40 2.44 2h6fB1 GLN 556 HG3 0.13 -0.01 -0.16 -0.04 2.39 2.30 2h6fB1 GLN 556 HE21 0.48 0.06 -0.04 -0.04 6.97 7.43 2h6fB1 GLN 556 HE22 0.40 -0.03 -0.01 -0.04 7.69 8.01 2h6fB1 GLU 557 H 0.02 0.39 -0.23 -0.55 8.60 8.23 2h6fB1 GLU 557 HA 0.03 -0.00 0.42 -0.75 4.29 3.99 2h6fB1 GLU 557 HB2 -0.00 0.20 0.21 -0.04 2.09 2.46 2h6fB1 GLU 557 HB3 0.00 -0.05 0.03 -0.04 1.99 1.93 2h6fB1 GLU 557 HG2 0.01 -0.06 0.06 -0.04 2.34 2.30 2h6fB1 GLU 557 HG3 0.01 0.23 0.13 -0.04 2.34 2.67 2h6fB1 VAL 558 H -0.03 0.41 -0.15 -0.55 8.24 7.92 2h6fB1 VAL 558 HA 0.07 0.01 0.44 -0.75 4.13 3.90 2h6fB1 VAL 558 HB -0.12 0.07 0.19 -0.04 2.12 2.22 2h6fB1 VAL 558 HG13 0.17 -0.01 -0.14 -0.04 0.97 0.94 2h6fB1 VAL 558 HG23 -0.01 0.03 0.07 -0.04 0.95 1.00 2h6fB1 PHE 559 H -0.02 0.67 -0.00 -0.55 8.34 8.43 2h6fB1 PHE 559 HA 0.06 -0.02 0.33 -0.75 4.62 4.25 2h6fB1 PHE 559 HB2 0.04 0.08 0.17 -0.04 3.15 3.40 2h6fB1 PHE 559 HB3 -0.04 -0.02 -0.09 -0.04 3.06 2.88 2h6fB1 PHE 559 HD2 -0.12 -0.01 -0.05 -0.04 7.28 7.06 2h6fB1 PHE 559 HE2 -0.37 0.06 -0.06 -0.04 7.38 6.98 2h6fB1 PHE 559 HZ -0.07 0.20 0.07 -0.04 7.32 7.48 2h6fB1 SER 560 H 0.17 0.62 -0.18 -0.55 8.46 8.52 2h6fB1 SER 560 HA 0.03 -0.01 0.41 -0.75 4.49 4.17 2h6fB1 SER 560 HB2 0.04 0.12 0.15 -0.04 3.95 4.21 2h6fB1 SER 560 HB3 -0.01 -0.07 0.08 -0.04 3.93 3.89 2h6fB1 SER 561 H 0.05 0.44 -0.40 -0.55 8.46 8.01 2h6fB1 SER 561 HA -0.19 0.02 0.50 -0.75 4.49 4.06 2h6fB1 SER 561 HB2 -0.17 -0.12 0.16 -0.04 3.95 3.79 2h6fB1 SER 561 HB3 -0.07 0.02 0.16 -0.04 3.93 4.00 2h6fB1 TYR 562 H 0.11 0.48 -0.39 -0.55 8.29 7.93 2h6fB1 TYR 562 HA 0.02 0.12 0.82 -0.75 4.56 4.77 2h6fB1 TYR 562 HB2 0.01 0.13 0.09 -0.04 3.06 3.25 2h6fB1 TYR 562 HB3 0.03 -0.05 0.12 -0.04 2.98 3.04 2h6fB1 TYR 562 HD2 0.07 0.15 0.00 -0.04 7.15 7.33 2h6fB1 TYR 562 HE2 0.04 -0.01 0.01 -0.04 6.85 6.85 2h6fB1 LYS 563 H -0.27 0.41 -0.20 -0.55 8.42 7.80 2h6fB1 LYS 563 HA -0.03 0.19 0.96 -0.75 4.32 4.68 2h6fB1 LYS 563 HB2 -0.03 -0.02 -0.03 -0.04 1.87 1.75 2h6fB1 LYS 563 HB3 -0.09 0.04 0.17 -0.04 1.79 1.87 2h6fB1 LYS 563 HG2 -0.02 -0.21 -0.17 -0.04 1.46 1.01 2h6fB1 LYS 563 HG3 0.01 0.10 -0.02 -0.04 1.46 1.50 2h6fB1 LYS 563 HD2 -0.01 0.02 -0.00 -0.04 1.69 1.66 2h6fB1 LYS 563 HD3 -0.01 -0.04 0.01 -0.04 1.68 1.59 2h6fB1 LYS 563 HE2 0.02 -0.02 -0.01 -0.04 2.99 2.94 2h6fB1 LYS 563 HE3 0.03 -0.16 0.00 -0.04 2.99 2.82 2h6fB1 PHE 564 H 0.16 0.69 0.07 -0.55 8.34 8.71 2h6fB1 PHE 564 HA 0.03 0.11 0.80 -0.75 4.62 4.81 2h6fB1 PHE 564 HB2 0.04 0.03 0.21 -0.04 3.15 3.38 2h6fB1 PHE 564 HB3 0.02 -0.10 0.13 -0.04 3.06 3.07 2h6fB1 PHE 564 HD2 0.02 0.04 -0.08 -0.04 7.28 7.22 2h6fB1 PHE 564 HE2 -0.01 -0.01 -0.08 -0.04 7.38 7.24 2h6fB1 PHE 564 HZ -0.07 0.03 -0.00 -0.04 7.32 7.24 2h6fB1 ASN 565 H 0.04 0.21 -0.12 -0.55 8.53 8.11 2h6fB1 ASN 565 HA 0.07 0.05 0.30 -0.75 4.76 4.43 2h6fB1 ASN 565 HB2 0.13 0.15 -0.03 -0.04 2.88 3.09 2h6fB1 ASN 565 HB3 0.11 -0.08 0.24 -0.04 2.79 3.02 2h6fB1 ASN 565 HD21 0.06 0.00 -0.02 -0.04 7.03 7.03 2h6fB1 ASN 565 HD22 0.08 0.02 -0.08 -0.04 7.74 7.73 2h6fB1 HIS 566 H 0.20 0.10 0.22 -0.55 8.41 8.38 2h6fB1 HIS 566 HA 0.06 0.14 0.48 -0.75 4.63 4.55 2h6fB1 HIS 566 HB2 0.05 -0.05 0.10 -0.04 3.26 3.33 2h6fB1 HIS 566 HB3 0.09 0.01 0.06 -0.04 3.20 3.31 2h6fB1 HIS 566 HD2 0.06 -0.01 0.00 -0.04 6.97 6.98 2h6fB1 HIS 566 HE1 -0.00 -0.01 0.00 -0.04 7.75 7.70 2h6fB1 LEU 567 H 0.18 0.52 -0.29 -0.55 8.37 8.24 2h6fB1 LEU 567 HA 0.16 0.06 0.69 -0.75 4.35 4.51 2h6fB1 LEU 567 HB2 0.17 -0.08 0.06 -0.04 1.64 1.75 2h6fB1 LEU 567 HB3 0.21 0.14 0.20 -0.04 1.64 2.15 2h6fB1 LEU 567 HG 0.15 0.05 -0.25 -0.04 1.64 1.55 2h6fB1 LEU 567 HD13 0.27 -0.02 -0.04 -0.04 0.93 1.10 2h6fB1 LEU 567 HD23 -0.09 -0.02 -0.01 -0.04 0.89 0.73 2h6fB1 VAL 568 H 0.10 0.13 -0.00 -0.55 8.24 7.92 2h6fB1 VAL 568 HA 0.21 0.31 0.90 -0.75 4.13 4.79 2h6fB1 VAL 568 HB 0.01 -0.13 -0.07 -0.04 2.12 1.89 2h6fB1 VAL 568 HG13 0.05 0.03 -0.03 -0.04 0.97 0.98 2h6fB1 VAL 568 HG23 0.02 -0.02 -0.34 -0.04 0.95 0.57 2h6fB1 PRO 569 HA 0.15 0.14 0.49 -0.51 4.44 4.70 2h6fB1 PRO 569 HB2 0.16 0.06 -0.00 -0.04 2.28 2.46 2h6fB1 PRO 569 HB3 0.08 -0.02 0.09 -0.04 2.02 2.13 2h6fB1 PRO 569 HG2 0.00 0.03 0.01 -0.04 2.03 2.03 2h6fB1 PRO 569 HG3 0.05 -0.02 0.01 -0.04 2.03 2.03 2h6fB1 PRO 569 HD2 0.40 0.29 0.11 -0.04 3.68 4.43 2h6fB1 PRO 569 HD3 0.33 0.11 -0.31 -0.04 3.65 3.74 2h6fB1 ARG 570 H 0.10 0.09 0.12 -0.55 8.46 8.22 2h6fB1 ARG 570 HA 0.05 0.05 0.44 -0.75 4.34 4.13 2h6fB1 ARG 570 HB2 0.06 -0.04 0.07 -0.04 1.90 1.94 2h6fB1 ARG 570 HB3 0.03 -0.09 -0.07 -0.04 1.80 1.64 2h6fB1 ARG 570 HG2 0.02 -0.01 -0.05 -0.04 1.67 1.59 2h6fB1 ARG 570 HG3 0.05 0.01 -0.08 -0.04 1.67 1.62 2h6fB1 ARG 570 HD2 0.04 -0.09 -0.03 -0.04 3.22 3.10 2h6fB1 ARG 570 HD3 0.02 0.07 -0.36 -0.04 3.22 2.90 2h6fB1 LEU 571 H 0.02 0.04 0.18 -0.55 8.37 8.07 2h6fB1 LEU 571 HA 0.07 0.15 0.49 -0.75 4.35 4.31 2h6fB1 LEU 571 HB2 -0.02 -0.04 -0.04 -0.04 1.64 1.50 2h6fB1 LEU 571 HB3 -0.04 0.02 -0.06 -0.04 1.64 1.51 2h6fB1 LEU 571 HG -0.03 0.02 0.04 -0.04 1.64 1.62 2h6fB1 LEU 571 HD13 -0.12 -0.02 -0.06 -0.04 0.93 0.68 2h6fB1 LEU 571 HD23 -0.16 0.04 -0.06 -0.04 0.89 0.67 2h6fB1 VAL 572 H 0.07 0.25 0.12 -0.55 8.24 8.13 2h6fB1 VAL 572 HA 0.03 0.13 1.02 -0.75 4.13 4.56 2h6fB1 VAL 572 HB 0.06 0.01 0.04 -0.04 2.12 2.18 2h6fB1 VAL 572 HG13 0.02 -0.02 -0.27 -0.04 0.97 0.66 2h6fB1 VAL 572 HG23 0.05 0.04 -0.21 -0.04 0.95 0.78 2h6fB1 LEU 573 H 0.03 0.20 0.09 -0.55 8.37 8.15 2h6fB1 LEU 573 HA 0.08 0.12 0.60 -0.75 4.35 4.40 2h6fB1 LEU 573 HB2 0.04 0.08 0.06 -0.04 1.64 1.79 2h6fB1 LEU 573 HB3 0.05 0.02 0.15 -0.04 1.64 1.81 2h6fB1 LEU 573 HG 0.17 -0.14 -0.30 -0.04 1.64 1.33 2h6fB1 LEU 573 HD13 0.09 -0.00 -0.07 -0.04 0.93 0.90 2h6fB1 LEU 573 HD23 0.05 0.05 -0.05 -0.04 0.89 0.90 2h6fB1 GLN 574 H 0.06 0.24 0.06 -0.55 8.47 8.28 2h6fB1 GLN 574 HA -0.05 0.12 0.46 -0.75 4.36 4.13 2h6fB1 GLN 574 HB2 -0.40 0.01 0.16 -0.04 2.15 1.88 2h6fB1 GLN 574 HB3 -0.20 -0.10 0.15 -0.04 2.02 1.82 2h6fB1 GLN 574 HG2 -0.01 0.14 0.02 -0.04 2.40 2.51 2h6fB1 GLN 574 HG3 -0.05 0.05 0.01 -0.04 2.39 2.36 2h6fB1 GLN 574 HE21 0.02 -0.02 -0.07 -0.04 6.97 6.86 2h6fB1 GLN 574 HE22 0.04 0.14 -0.05 -0.04 7.69 7.78 2h6fB1 ARG 575 H 0.01 0.67 -0.06 -0.55 8.46 8.53 2h6fB1 ARG 575 HA 0.15 0.03 0.24 -0.75 4.34 4.00 2h6fB1 ARG 575 HB2 0.04 0.15 0.07 -0.04 1.90 2.11 2h6fB1 ARG 575 HB3 0.00 -0.05 0.11 -0.04 1.80 1.83 2h6fB1 ARG 575 HG2 -0.01 -0.10 -0.28 -0.04 1.67 1.24 2h6fB1 ARG 575 HG3 0.03 -0.01 0.03 -0.04 1.67 1.68 2h6fB1 ARG 575 HD2 -0.03 -0.07 0.00 -0.04 3.22 3.07 2h6fB1 ARG 575 HD3 -0.08 0.06 -0.01 -0.04 3.22 3.15 2h6fB1 GLU 576 H -0.01 0.14 -0.12 -0.55 8.60 8.06 2h6fB1 GLU 576 HA 0.01 0.11 0.44 -0.75 4.29 4.10 2h6fB1 GLU 576 HB2 0.03 -0.02 0.07 -0.04 2.09 2.13 2h6fB1 GLU 576 HB3 0.11 0.03 -0.03 -0.04 1.99 2.05 2h6fB1 GLU 576 HG2 -0.00 0.01 0.04 -0.04 2.34 2.34 2h6fB1 GLU 576 HG3 0.04 0.03 0.02 -0.04 2.34 2.39 2h6fB1 LYS 577 H -0.07 0.16 -0.20 -0.55 8.42 7.76 2h6fB1 LYS 577 HA 0.11 0.07 0.41 -0.75 4.32 4.15 2h6fB1 LYS 577 HB2 -0.29 0.09 0.08 -0.04 1.87 1.71 2h6fB1 LYS 577 HB3 -0.07 0.04 -0.24 -0.04 1.79 1.47 2h6fB1 LYS 577 HG2 0.00 0.01 -0.01 -0.04 1.46 1.42 2h6fB1 LYS 577 HG3 -0.04 -0.13 0.02 -0.04 1.46 1.28 2h6fB1 LYS 577 HD2 -0.12 -0.08 0.04 -0.04 1.69 1.49 2h6fB1 LYS 577 HD3 -0.06 0.46 0.06 -0.04 1.68 2.10 2h6fB1 LYS 577 HE2 -0.01 -0.04 0.04 -0.04 2.99 2.94 2h6fB1 LYS 577 HE3 -0.02 -0.09 0.02 -0.04 2.99 2.85 2h6fB1 HIS 578 H -0.22 0.53 -0.13 -0.55 8.41 8.05 2h6fB1 HIS 578 HA 0.14 -0.17 0.48 -0.75 4.63 4.33 2h6fB1 HIS 578 HB2 0.07 0.19 0.07 -0.04 3.26 3.56 2h6fB1 HIS 578 HB3 0.10 -0.03 0.00 -0.04 3.20 3.23 2h6fB1 HIS 578 HD2 0.02 0.01 -0.37 -0.04 6.97 6.58 2h6fB1 HIS 578 HE1 -0.03 0.17 -0.02 -0.04 7.75 7.83 2h6fB1 PHE 579 H 0.21 0.65 -0.11 -0.55 8.34 8.54 2h6fB1 PHE 579 HA 0.02 0.01 0.38 -0.75 4.62 4.28 2h6fB1 PHE 579 HB2 -0.07 0.07 0.10 -0.04 3.15 3.20 2h6fB1 PHE 579 HB3 -0.24 0.09 0.21 -0.04 3.06 3.08 2h6fB1 PHE 579 HD2 -0.32 0.00 0.01 -0.04 7.28 6.92 2h6fB1 PHE 579 HE2 -0.04 0.02 -0.04 -0.04 7.38 7.28 2h6fB1 PHE 579 HZ -0.01 -0.01 -0.03 -0.04 7.32 7.23 2h6fB1 HIS 580 H -0.09 0.57 -0.09 -0.55 8.41 8.25 2h6fB1 HIS 580 HA -0.41 0.00 0.43 -0.75 4.63 3.89 2h6fB1 HIS 580 HB2 0.02 0.12 0.15 -0.04 3.26 3.51 2h6fB1 HIS 580 HB3 -0.03 -0.05 0.04 -0.04 3.20 3.11 2h6fB1 HIS 580 HD2 0.06 -0.02 -0.10 -0.04 6.97 6.87 2h6fB1 HIS 580 HE1 0.17 -0.02 -0.01 -0.04 7.75 7.85 2h6fB1 TYR 581 H 0.24 0.45 -0.22 -0.55 8.29 8.21 2h6fB1 TYR 581 HA 0.08 0.01 0.45 -0.75 4.56 4.35 2h6fB1 TYR 581 HB2 0.07 0.13 0.07 -0.04 3.06 3.28 2h6fB1 TYR 581 HB3 0.11 0.11 0.15 -0.04 2.98 3.30 2h6fB1 TYR 581 HD2 0.06 0.02 -0.04 -0.04 7.15 7.14 2h6fB1 TYR 581 HE2 -0.24 -0.06 -0.11 -0.04 6.85 6.40 2h6fB1 LEU 582 H 0.12 0.60 -0.09 -0.55 8.37 8.45 2h6fB1 LEU 582 HA -0.05 -0.05 0.43 -0.75 4.35 3.93 2h6fB1 LEU 582 HB2 0.04 0.15 0.16 -0.04 1.64 1.94 2h6fB1 LEU 582 HB3 -0.00 -0.01 -0.00 -0.04 1.64 1.58 2h6fB1 LEU 582 HG 0.22 0.03 0.06 -0.04 1.64 1.90 2h6fB1 LEU 582 HD13 0.11 -0.01 -0.20 -0.04 0.93 0.79 2h6fB1 LEU 582 HD23 0.15 -0.02 0.02 -0.04 0.89 0.99 2h6fB1 LYS 583 H -0.26 0.72 -0.03 -0.55 8.42 8.30 2h6fB1 LYS 583 HA -0.16 0.02 0.37 -0.75 4.32 3.80 2h6fB1 LYS 583 HB2 -0.73 0.05 0.09 -0.04 1.87 1.24 2h6fB1 LYS 583 HB3 -0.38 0.06 0.13 -0.04 1.79 1.56 2h6fB1 LYS 583 HG2 -0.13 -0.02 -0.22 -0.04 1.46 1.06 2h6fB1 LYS 583 HG3 -0.12 -0.03 0.03 -0.04 1.46 1.30 2h6fB1 LYS 583 HD2 -0.22 0.02 -0.02 -0.04 1.69 1.43 2h6fB1 LYS 583 HD3 -0.18 -0.00 -0.03 -0.04 1.68 1.44 2h6fB1 LYS 583 HE2 -0.02 -0.01 -0.04 -0.04 2.99 2.87 2h6fB1 LYS 583 HE3 0.01 -0.02 -0.01 -0.04 2.99 2.92 2h6fB1 ARG 584 H -0.09 0.45 -0.27 -0.55 8.46 8.00 2h6fB1 ARG 584 HA -0.07 0.01 0.49 -0.75 4.34 4.01 2h6fB1 ARG 584 HB2 -0.01 -0.01 0.13 -0.04 1.90 1.97 2h6fB1 ARG 584 HB3 0.02 0.15 0.20 -0.04 1.80 2.12 2h6fB1 ARG 584 HG2 0.04 -0.05 -0.00 -0.04 1.67 1.62 2h6fB1 ARG 584 HG3 0.01 0.07 -0.22 -0.04 1.67 1.50 2h6fB1 ARG 584 HD2 -0.03 -0.04 0.11 -0.04 3.22 3.21 2h6fB1 ARG 584 HD3 -0.01 -0.01 0.03 -0.04 3.22 3.19 2h6fB1 GLY 585 H -0.13 0.47 -0.05 -0.55 8.43 8.17 2h6fB1 GLY 585 HA2 -0.22 0.21 0.41 -0.51 4.01 3.91 2h6fB1 GLY 585 HA3 -0.61 -0.05 0.32 -0.51 4.01 3.16 2h6fB1 LEU 586 H -0.23 0.46 -0.35 -0.55 8.37 7.71 2h6fB1 LEU 586 HA -0.25 -0.02 0.32 -0.75 4.35 3.64 2h6fB1 LEU 586 HB2 -0.16 0.04 0.05 -0.04 1.64 1.53 2h6fB1 LEU 586 HB3 -0.13 0.11 0.02 -0.04 1.64 1.61 2h6fB1 LEU 586 HG -0.10 -0.01 -0.05 -0.04 1.64 1.43 2h6fB1 LEU 586 HD13 -0.12 -0.02 0.03 -0.04 0.93 0.79 2h6fB1 LEU 586 HD23 -0.06 -0.02 -0.06 -0.04 0.89 0.72 2h6fB1 ARG 587 H -0.15 0.34 -0.46 -0.55 8.46 7.64 2h6fB1 ARG 587 HA -0.13 0.13 0.90 -0.75 4.34 4.49 2h6fB1 ARG 587 HB2 -0.09 0.12 0.18 -0.04 1.90 2.08 2h6fB1 ARG 587 HB3 -0.08 -0.08 -0.02 -0.04 1.80 1.58 2h6fB1 ARG 587 HG2 -0.08 0.03 -0.10 -0.04 1.67 1.47 2h6fB1 ARG 587 HG3 -0.06 -0.06 -0.00 -0.04 1.67 1.51 2h6fB1 ARG 587 HD2 -0.07 -0.04 0.01 -0.04 3.22 3.09 2h6fB1 ARG 587 HD3 -0.09 0.11 0.01 -0.04 3.22 3.20 2h6fB1 GLN 588 H -0.11 0.61 0.22 -0.55 8.47 8.64 2h6fB1 GLN 588 HA -0.09 0.15 0.89 -0.75 4.36 4.55 2h6fB1 GLN 588 HB2 -0.05 -0.02 -0.21 -0.04 2.15 1.82 2h6fB1 GLN 588 HB3 -0.03 -0.04 -0.06 -0.04 2.02 1.85 2h6fB1 GLN 588 HG2 -0.02 -0.01 -0.05 -0.04 2.40 2.29 2h6fB1 GLN 588 HG3 -0.04 0.06 0.07 -0.04 2.39 2.44 2h6fB1 GLN 588 HE21 -0.01 -0.04 -0.03 -0.04 6.97 6.85 2h6fB1 GLN 588 HE22 -0.03 0.05 -0.02 -0.04 7.69 7.65 2h6fB1 LEU 589 H -0.04 0.26 0.17 -0.55 8.37 8.21 2h6fB1 LEU 589 HA -0.01 0.12 0.85 -0.75 4.35 4.56 2h6fB1 LEU 589 HB2 -0.03 0.01 0.01 -0.04 1.64 1.58 2h6fB1 LEU 589 HB3 -0.08 -0.08 0.05 -0.04 1.64 1.49 2h6fB1 LEU 589 HG -0.23 0.11 -0.46 -0.04 1.64 1.03 2h6fB1 LEU 589 HD13 -0.24 -0.01 -0.07 -0.04 0.93 0.57 2h6fB1 LEU 589 HD23 -0.51 0.01 0.03 -0.04 0.89 0.37 2h6fB1 THR 590 H 0.17 0.11 0.14 -0.55 8.28 8.15 2h6fB1 THR 590 HA 0.08 0.19 0.51 -0.75 4.39 4.42 2h6fB1 THR 590 HB 0.10 -0.01 0.17 -0.04 4.32 4.53 2h6fB1 THR 590 HG23 0.10 0.05 0.04 -0.04 1.22 1.37 2h6fB1 ASP 591 H 0.08 0.22 0.16 -0.55 8.40 8.31 2h6fB1 ASP 591 HA 0.09 0.16 0.38 -0.75 4.63 4.50 2h6fB1 ASP 591 HB2 0.05 0.02 0.16 -0.04 2.71 2.90 2h6fB1 ASP 591 HB3 0.05 0.08 0.14 -0.04 2.70 2.93 2h6fB1 ALA 592 H 0.13 0.01 -0.76 -0.55 8.40 7.24 2h6fB1 ALA 592 HA 0.02 0.10 0.44 -0.75 4.34 4.14 2h6fB1 ALA 592 HB3 0.05 0.02 0.04 -0.04 1.41 1.48 2h6fB1 TYR 593 H 0.26 0.54 -0.40 -0.55 8.29 8.14 2h6fB1 TYR 593 HA 0.11 0.16 0.80 -0.75 4.56 4.87 2h6fB1 TYR 593 HB2 0.10 0.19 0.00 -0.04 3.06 3.32 2h6fB1 TYR 593 HB3 0.12 -0.00 0.08 -0.04 2.98 3.14 2h6fB1 TYR 593 HD2 0.20 -0.03 -0.03 -0.04 7.15 7.25 2h6fB1 TYR 593 HE2 0.31 -0.04 0.00 -0.04 6.85 7.09 2h6fB1 GLU 594 H 0.09 0.51 -0.36 -0.55 8.60 8.30 2h6fB1 GLU 594 HA 0.09 0.10 0.42 -0.75 4.29 4.15 2h6fB1 GLU 594 HB2 0.05 0.10 0.12 -0.04 2.09 2.32 2h6fB1 GLU 594 HB3 0.05 -0.01 0.02 -0.04 1.99 2.01 2h6fB1 GLU 594 HG2 0.06 0.01 0.07 -0.04 2.34 2.43 2h6fB1 GLU 594 HG3 0.07 -0.06 0.13 -0.04 2.34 2.44 2h6fB1 CYS 595 H 0.04 0.18 -0.35 -0.55 8.50 7.83 2h6fB1 CYS 595 HA 0.04 0.10 0.37 -0.75 4.58 4.34 2h6fB1 CYS 595 HB2 0.03 -0.00 0.09 -0.04 2.97 3.05 2h6fB1 CYS 595 HB3 0.01 0.02 0.07 -0.04 2.97 3.03 2h6fB1 LEU 596 H 0.14 0.48 -0.75 -0.55 8.37 7.69 2h6fB1 LEU 596 HA 0.14 0.16 0.82 -0.75 4.35 4.71 2h6fB1 LEU 596 HB2 0.36 0.11 0.04 -0.04 1.64 2.11 2h6fB1 LEU 596 HB3 0.29 -0.03 0.12 -0.04 1.64 1.98 2h6fB1 LEU 596 HG 0.16 -0.04 -0.29 -0.04 1.64 1.43 2h6fB1 LEU 596 HD13 0.53 -0.01 -0.02 -0.04 0.93 1.38 2h6fB1 LEU 596 HD23 0.22 0.02 -0.01 -0.04 0.89 1.09 2h6fB1 ASP 597 H 0.09 0.47 -0.21 -0.55 8.40 8.21 2h6fB1 ASP 597 HA 0.10 0.10 0.43 -0.75 4.63 4.50 2h6fB1 ASP 597 HB2 0.07 0.05 0.19 -0.04 2.71 2.98 2h6fB1 ASP 597 HB3 0.05 0.00 0.05 -0.04 2.70 2.77 2h6fB1 ALA 598 H 0.08 0.08 -0.51 -0.55 8.40 7.50 2h6fB1 ALA 598 HA 0.03 0.19 0.72 -0.75 4.34 4.53 2h6fB1 ALA 598 HB3 0.01 0.01 0.05 -0.04 1.41 1.44 2h6fB1 SER 599 H 0.12 0.51 -0.36 -0.55 8.46 8.18 2h6fB1 SER 599 HA 0.18 0.12 0.77 -0.75 4.49 4.80 2h6fB1 SER 599 HB2 0.20 0.05 0.08 -0.04 3.95 4.25 2h6fB1 SER 599 HB3 0.28 -0.13 0.22 -0.04 3.93 4.26 2h6fB1 ARG 600 H 0.10 0.68 0.13 -0.55 8.46 8.82 2h6fB1 ARG 600 HA 0.08 -0.00 0.50 -0.75 4.34 4.16 2h6fB1 ARG 600 HB2 0.27 0.25 0.18 -0.04 1.90 2.56 2h6fB1 ARG 600 HB3 0.26 -0.04 0.06 -0.04 1.80 2.04 2h6fB1 ARG 600 HG2 0.07 -0.07 0.04 -0.04 1.67 1.67 2h6fB1 ARG 600 HG3 0.12 0.01 0.12 -0.04 1.67 1.87 2h6fB1 ARG 600 HD2 0.09 -0.05 0.08 -0.04 3.22 3.29 2h6fB1 ARG 600 HD3 0.21 0.07 0.15 -0.04 3.22 3.61 2h6fB1 PRO 601 HA -0.03 0.11 0.44 -0.51 4.44 4.44 2h6fB1 PRO 601 HB2 -0.32 -0.06 -0.01 -0.04 2.28 1.85 2h6fB1 PRO 601 HB3 -0.28 0.05 0.02 -0.04 2.02 1.77 2h6fB1 PRO 601 HG2 -0.11 0.29 -0.06 -0.04 2.03 2.11 2h6fB1 PRO 601 HG3 -0.12 0.05 -0.09 -0.04 2.03 1.83 2h6fB1 PRO 601 HD2 -0.05 -0.03 -0.06 -0.04 3.68 3.51 2h6fB1 PRO 601 HD3 0.04 0.28 -0.06 -0.04 3.65 3.87 2h6fB1 TRP 602 H -0.06 0.24 -0.43 -0.55 7.97 7.17 2h6fB1 TRP 602 HA -0.47 0.04 0.41 -0.75 4.62 3.84 2h6fB1 TRP 602 HB2 -0.54 0.33 0.18 -0.04 3.23 3.15 2h6fB1 TRP 602 HB3 -2.14 -0.07 -0.06 -0.04 3.23 0.92 2h6fB1 TRP 602 HD1 -0.08 0.03 0.04 -0.04 7.22 7.17 2h6fB1 TRP 602 HE1 0.07 -0.04 -0.08 -0.04 10.20 10.11 2h6fB1 TRP 602 HE3 -0.21 -0.04 0.03 -0.04 7.59 7.34 2h6fB1 TRP 602 HZ2 0.23 -0.06 -0.02 -0.04 7.44 7.55 2h6fB1 TRP 602 HZ3 0.79 0.06 -0.05 -0.04 7.13 7.89 2h6fB1 TRP 602 HH2 0.48 0.02 -0.04 -0.04 7.19 7.61 2h6fB1 LEU 603 H -0.12 0.43 -0.13 -0.55 8.37 8.01 2h6fB1 LEU 603 HA 0.15 -0.09 0.38 -0.75 4.35 4.03 2h6fB1 LEU 603 HB2 -0.04 0.21 0.16 -0.04 1.64 1.94 2h6fB1 LEU 603 HB3 -0.12 0.04 -0.02 -0.04 1.64 1.49 2h6fB1 LEU 603 HG 0.17 -0.02 0.03 -0.04 1.64 1.77 2h6fB1 LEU 603 HD13 0.12 0.01 -0.05 -0.04 0.93 0.97 2h6fB1 LEU 603 HD23 0.35 -0.03 -0.00 -0.04 0.89 1.16 2h6fB1 CYS 604 H -0.05 0.43 -0.25 -0.55 8.50 8.08 2h6fB1 CYS 604 HA -0.07 0.06 0.39 -0.75 4.58 4.21 2h6fB1 CYS 604 HB2 -0.03 0.10 0.14 -0.04 2.97 3.15 2h6fB1 CYS 604 HB3 -0.01 -0.03 -0.02 -0.04 2.97 2.86 2h6fB1 TYR 605 H 0.00 0.55 -0.16 -0.55 8.29 8.12 2h6fB1 TYR 605 HA -0.04 0.02 0.43 -0.75 4.56 4.22 2h6fB1 TYR 605 HB2 -0.19 0.17 0.14 -0.04 3.06 3.14 2h6fB1 TYR 605 HB3 -0.15 0.02 0.21 -0.04 2.98 3.01 2h6fB1 TYR 605 HD2 0.18 -0.04 -0.07 -0.04 7.15 7.18 2h6fB1 TYR 605 HE2 0.17 0.01 -0.04 -0.04 6.85 6.95 2h6fB1 TRP 606 H -0.01 0.80 -0.00 -0.55 7.97 8.21 2h6fB1 TRP 606 HA -0.39 0.01 0.37 -0.75 4.62 3.84 2h6fB1 TRP 606 HB2 0.11 0.04 0.04 -0.04 3.23 3.37 2h6fB1 TRP 606 HB3 0.06 0.06 -0.08 -0.04 3.23 3.23 2h6fB1 TRP 606 HD1 0.14 0.03 -0.02 -0.04 7.22 7.34 2h6fB1 TRP 606 HE1 0.56 -0.01 -0.02 -0.04 10.20 10.69 2h6fB1 TRP 606 HE3 0.29 0.01 -0.17 -0.04 7.59 7.68 2h6fB1 TRP 606 HZ2 -0.71 0.00 -0.03 -0.04 7.44 6.66 2h6fB1 TRP 606 HZ3 0.28 0.01 -0.06 -0.04 7.13 7.32 2h6fB1 TRP 606 HH2 -0.13 0.01 -0.03 -0.04 7.19 7.00 2h6fB1 ILE 607 H 0.07 0.56 -0.25 -0.55 8.25 8.08 2h6fB1 ILE 607 HA 0.02 -0.02 0.49 -0.75 4.18 3.92 2h6fB1 ILE 607 HB -0.13 0.17 0.13 -0.04 1.89 2.02 2h6fB1 ILE 607 HG12 -0.39 -0.11 -0.00 -0.04 1.49 0.94 2h6fB1 ILE 607 HG13 -0.16 -0.05 0.04 -0.04 1.21 1.00 2h6fB1 ILE 607 HG23 -0.14 -0.02 -0.12 -0.04 0.93 0.60 2h6fB1 ILE 607 HD13 -0.82 -0.01 -0.24 -0.04 0.88 -0.23 2h6fB1 LEU 608 H -0.04 0.71 0.02 -0.55 8.37 8.51 2h6fB1 LEU 608 HA -0.02 0.02 0.41 -0.75 4.35 4.01 2h6fB1 LEU 608 HB2 0.00 0.08 0.17 -0.04 1.64 1.85 2h6fB1 LEU 608 HB3 0.01 -0.04 0.00 -0.04 1.64 1.57 2h6fB1 LEU 608 HG -0.04 0.08 0.11 -0.04 1.64 1.75 2h6fB1 LEU 608 HD13 -0.01 -0.02 -0.05 -0.04 0.93 0.81 2h6fB1 LEU 608 HD23 -0.02 -0.02 -0.03 -0.04 0.89 0.78 2h6fB1 HIS 609 H -0.09 0.71 -0.14 -0.55 8.41 8.35 2h6fB1 HIS 609 HA -0.09 0.01 0.47 -0.75 4.63 4.26 2h6fB1 HIS 609 HB2 -0.43 0.03 0.10 -0.04 3.26 2.93 2h6fB1 HIS 609 HB3 -0.51 0.04 0.09 -0.04 3.20 2.78 2h6fB1 HIS 609 HD2 -0.45 -0.07 -0.10 -0.04 6.97 6.31 2h6fB1 HIS 609 HE1 0.00 -0.11 -0.32 -0.04 7.75 7.29 2h6fB1 SER 610 H -0.10 0.42 -0.27 -0.55 8.46 7.96 2h6fB1 SER 610 HA -0.24 0.03 0.41 -0.75 4.49 3.94 2h6fB1 SER 610 HB2 -0.01 0.14 0.17 -0.04 3.95 4.20 2h6fB1 SER 610 HB3 -0.03 -0.09 -0.05 -0.04 3.93 3.72 2h6fB1 LEU 611 H -0.03 0.56 -0.14 -0.55 8.37 8.22 2h6fB1 LEU 611 HA 0.04 -0.02 0.39 -0.75 4.35 4.01 2h6fB1 LEU 611 HB2 0.01 0.10 0.13 -0.04 1.64 1.84 2h6fB1 LEU 611 HB3 0.05 0.12 -0.02 -0.04 1.64 1.75 2h6fB1 LEU 611 HG 0.03 0.05 0.02 -0.04 1.64 1.70 2h6fB1 LEU 611 HD13 0.02 -0.01 -0.15 -0.04 0.93 0.74 2h6fB1 LEU 611 HD23 0.23 -0.02 -0.03 -0.04 0.89 1.03 2h6fB1 GLU 612 H -0.05 0.53 -0.24 -0.55 8.60 8.30 2h6fB1 GLU 612 HA -0.02 0.02 0.39 -0.75 4.29 3.93 2h6fB1 GLU 612 HB2 0.02 0.01 0.10 -0.04 2.09 2.19 2h6fB1 GLU 612 HB3 -0.01 0.10 0.23 -0.04 1.99 2.27 2h6fB1 GLU 612 HG2 0.00 0.08 -0.32 -0.04 2.34 2.06 2h6fB1 GLU 612 HG3 0.03 -0.03 -0.00 -0.04 2.34 2.29 2h6fB1 LEU 613 H -0.21 0.58 -0.15 -0.55 8.37 8.04 2h6fB1 LEU 613 HA -0.08 0.04 0.43 -0.75 4.35 3.99 2h6fB1 LEU 613 HB2 -0.21 0.10 0.13 -0.04 1.64 1.61 2h6fB1 LEU 613 HB3 -0.12 -0.04 -0.01 -0.04 1.64 1.43 2h6fB1 LEU 613 HG -0.73 0.13 0.01 -0.04 1.64 1.00 2h6fB1 LEU 613 HD13 -0.42 -0.04 -0.24 -0.04 0.93 0.18 2h6fB1 LEU 613 HD23 -0.07 -0.01 -0.15 -0.04 0.89 0.62 2h6fB1 LEU 614 H -0.06 0.41 -0.33 -0.55 8.37 7.85 2h6fB1 LEU 614 HA -0.01 0.11 0.53 -0.75 4.35 4.22 2h6fB1 LEU 614 HB2 0.01 0.05 0.08 -0.04 1.64 1.74 2h6fB1 LEU 614 HB3 0.00 -0.08 0.10 -0.04 1.64 1.63 2h6fB1 LEU 614 HG -0.02 0.12 -0.00 -0.04 1.64 1.70 2h6fB1 LEU 614 HD13 0.11 -0.04 -0.12 -0.04 0.93 0.84 2h6fB1 LEU 614 HD23 0.05 -0.02 -0.05 -0.04 0.89 0.83 2h6fB1 ASP 615 H -0.04 0.36 -0.68 -0.55 8.40 7.50 2h6fB1 ASP 615 HA -0.03 0.03 0.26 -0.75 4.63 4.13 2h6fB1 ASP 615 HB2 -0.02 0.02 -0.15 -0.04 2.71 2.52 2h6fB1 ASP 615 HB3 -0.04 0.11 0.07 -0.04 2.70 2.79 2h6fB1 GLU 616 H -0.04 0.58 -0.17 -0.55 8.60 8.42 2h6fB1 GLU 616 HA -0.19 0.13 0.74 -0.75 4.29 4.21 2h6fB1 GLU 616 HB2 0.02 -0.06 0.09 -0.04 2.09 2.11 2h6fB1 GLU 616 HB3 -0.21 -0.02 -0.01 -0.04 1.99 1.71 2h6fB1 GLU 616 HG2 -0.10 0.15 -0.27 -0.04 2.34 2.08 2h6fB1 GLU 616 HG3 0.03 -0.11 -0.02 -0.04 2.34 2.19 2h6fB1 PRO 617 HA -0.02 0.04 0.35 -0.51 4.44 4.30 2h6fB1 PRO 617 HB2 -0.02 -0.04 -0.11 -0.04 2.28 2.07 2h6fB1 PRO 617 HB3 -0.03 0.04 0.04 -0.04 2.02 2.03 2h6fB1 PRO 617 HG2 -0.05 -0.03 0.03 -0.04 2.03 1.95 2h6fB1 PRO 617 HG3 -0.06 0.01 0.05 -0.04 2.03 1.99 2h6fB1 PRO 617 HD2 -0.18 0.06 0.24 -0.04 3.68 3.75 2h6fB1 PRO 617 HD3 -0.09 0.25 0.17 -0.04 3.65 3.94 2h6fB1 ILE 618 H -0.01 0.16 0.09 -0.55 8.25 7.95 2h6fB1 ILE 618 HA 0.03 0.21 0.81 -0.75 4.18 4.47 2h6fB1 ILE 618 HB -0.01 -0.02 0.13 -0.04 1.89 1.95 2h6fB1 ILE 618 HG12 -0.00 0.04 -0.06 -0.04 1.49 1.43 2h6fB1 ILE 618 HG13 -0.01 -0.00 -0.04 -0.04 1.21 1.12 2h6fB1 ILE 618 HG23 -0.01 0.01 -0.13 -0.04 0.93 0.76 2h6fB1 ILE 618 HD13 0.02 0.03 -0.14 -0.04 0.88 0.75 2h6fB1 PRO 619 HA -0.00 0.05 0.41 -0.51 4.44 4.39 2h6fB1 PRO 619 HB2 0.00 -0.18 0.09 -0.04 2.28 2.15 2h6fB1 PRO 619 HB3 0.01 0.03 0.11 -0.04 2.02 2.12 2h6fB1 PRO 619 HG2 0.04 0.06 0.07 -0.04 2.03 2.16 2h6fB1 PRO 619 HG3 0.03 0.09 0.03 -0.04 2.03 2.14 2h6fB1 PRO 619 HD2 0.02 0.06 0.19 -0.04 3.68 3.91 2h6fB1 PRO 619 HD3 0.05 0.48 0.19 -0.04 3.65 4.32 2h6fB1 GLN 620 H -0.01 0.17 0.20 -0.55 8.47 8.28 2h6fB1 GLN 620 HA -0.03 0.15 0.41 -0.75 4.36 4.14 2h6fB1 GLN 620 HB2 -0.01 -0.04 0.13 -0.04 2.15 2.18 2h6fB1 GLN 620 HB3 -0.02 0.02 0.05 -0.04 2.02 2.03 2h6fB1 GLN 620 HG2 -0.03 0.08 0.09 -0.04 2.40 2.50 2h6fB1 GLN 620 HG3 -0.02 -0.01 0.14 -0.04 2.39 2.46 2h6fB1 GLN 620 HE21 -0.02 0.01 0.02 -0.04 6.97 6.94 2h6fB1 GLN 620 HE22 -0.03 0.03 0.03 -0.04 7.69 7.69 2h6fB1 ILE 621 H -0.01 0.08 -0.18 -0.55 8.25 7.59 2h6fB1 ILE 621 HA -0.01 0.09 0.42 -0.75 4.18 3.92 2h6fB1 ILE 621 HB -0.01 -0.02 0.05 -0.04 1.89 1.87 2h6fB1 ILE 621 HG12 -0.01 -0.07 0.05 -0.04 1.49 1.42 2h6fB1 ILE 621 HG13 -0.01 0.06 0.02 -0.04 1.21 1.23 2h6fB1 ILE 621 HG23 -0.01 0.02 -0.13 -0.04 0.93 0.78 2h6fB1 ILE 621 HD13 -0.01 0.02 -0.02 -0.04 0.88 0.83 2h6fB1 VAL 622 H -0.01 0.10 -0.23 -0.55 8.24 7.55 2h6fB1 VAL 622 HA -0.02 0.07 0.39 -0.75 4.13 3.81 2h6fB1 VAL 622 HB -0.01 0.12 0.04 -0.04 2.12 2.22 2h6fB1 VAL 622 HG13 -0.04 0.02 -0.08 -0.04 0.97 0.83 2h6fB1 VAL 622 HG23 -0.01 -0.02 0.02 -0.04 0.95 0.90 2h6fB1 ALA 623 H -0.02 0.52 -0.26 -0.55 8.40 8.09 2h6fB1 ALA 623 HA -0.03 0.05 0.37 -0.75 4.34 3.98 2h6fB1 ALA 623 HB3 -0.04 0.04 0.05 -0.04 1.41 1.42 2h6fB1 THR 624 H -0.02 0.54 -0.13 -0.55 8.28 8.12 2h6fB1 THR 624 HA -0.02 -0.00 0.43 -0.75 4.39 4.04 2h6fB1 THR 624 HB -0.01 0.10 0.16 -0.04 4.32 4.53 2h6fB1 THR 624 HG23 -0.01 -0.01 -0.08 -0.04 1.22 1.07 2h6fB1 ASP 625 H -0.01 0.51 -0.20 -0.55 8.40 8.15 2h6fB1 ASP 625 HA 0.01 -0.01 0.41 -0.75 4.63 4.29 2h6fB1 ASP 625 HB2 -0.02 0.13 0.18 -0.04 2.71 2.96 2h6fB1 ASP 625 HB3 -0.02 -0.01 0.03 -0.04 2.70 2.66 2h6fB1 VAL 626 H -0.00 0.52 -0.21 -0.55 8.24 7.99 2h6fB1 VAL 626 HA 0.07 0.03 0.44 -0.75 4.13 3.92 2h6fB1 VAL 626 HB -0.01 0.13 0.15 -0.04 2.12 2.35 2h6fB1 VAL 626 HG13 0.01 -0.02 -0.13 -0.04 0.97 0.79 2h6fB1 VAL 626 HG23 -0.03 0.07 0.04 -0.04 0.95 0.98 2h6fB1 CYS 627 H 0.00 0.51 -0.14 -0.55 8.50 8.33 2h6fB1 CYS 627 HA 0.00 0.01 0.38 -0.75 4.58 4.22 2h6fB1 CYS 627 HB2 -0.01 0.14 0.17 -0.04 2.97 3.23 2h6fB1 CYS 627 HB3 -0.00 0.01 -0.08 -0.04 2.97 2.85 2h6fB1 GLN 628 H 0.03 0.59 -0.13 -0.55 8.47 8.42 2h6fB1 GLN 628 HA 0.02 0.02 0.40 -0.75 4.36 4.05 2h6fB1 GLN 628 HB2 0.05 0.10 0.12 -0.04 2.15 2.38 2h6fB1 GLN 628 HB3 0.04 -0.05 0.03 -0.04 2.02 1.99 2h6fB1 GLN 628 HG2 0.01 -0.05 0.02 -0.04 2.40 2.34 2h6fB1 GLN 628 HG3 0.01 0.39 0.08 -0.04 2.39 2.83 2h6fB1 GLN 628 HE21 0.01 -0.04 -0.03 -0.04 6.97 6.87 2h6fB1 GLN 628 HE22 0.01 -0.00 -0.02 -0.04 7.69 7.63 2h6fB1 PHE 629 H 0.17 0.52 -0.21 -0.55 8.34 8.28 2h6fB1 PHE 629 HA -0.01 0.01 0.48 -0.75 4.62 4.35 2h6fB1 PHE 629 HB2 -0.02 0.02 0.12 -0.04 3.15 3.23 2h6fB1 PHE 629 HB3 -0.03 0.11 0.19 -0.04 3.06 3.29 2h6fB1 PHE 629 HD2 -0.03 0.01 -0.03 -0.04 7.28 7.19 2h6fB1 PHE 629 HE2 -0.03 -0.04 -0.11 -0.04 7.38 7.16 2h6fB1 PHE 629 HZ -0.02 -0.02 -0.01 -0.04 7.32 7.23 2h6fB1 LEU 630 H 0.03 0.68 -0.05 -0.55 8.37 8.48 2h6fB1 LEU 630 HA -0.31 -0.01 0.40 -0.75 4.35 3.67 2h6fB1 LEU 630 HB2 -0.04 0.13 0.10 -0.04 1.64 1.79 2h6fB1 LEU 630 HB3 -0.16 -0.06 0.00 -0.04 1.64 1.38 2h6fB1 LEU 630 HG 0.04 0.15 0.05 -0.04 1.64 1.83 2h6fB1 LEU 630 HD13 -0.14 -0.01 -0.04 -0.04 0.93 0.69 2h6fB1 LEU 630 HD23 -0.19 -0.03 -0.03 -0.04 0.89 0.60 2h6fB1 GLU 631 H -0.00 0.44 -0.37 -0.55 8.60 8.12 2h6fB1 GLU 631 HA 0.05 0.04 0.42 -0.75 4.29 4.04 2h6fB1 GLU 631 HB2 0.02 0.05 0.11 -0.04 2.09 2.23 2h6fB1 GLU 631 HB3 -0.00 0.16 0.16 -0.04 1.99 2.26 2h6fB1 GLU 631 HG2 -0.02 -0.02 -0.13 -0.04 2.34 2.13 2h6fB1 GLU 631 HG3 -0.01 0.02 0.07 -0.04 2.34 2.38 2h6fB1 LEU 632 H -0.09 0.38 -0.22 -0.55 8.37 7.89 2h6fB1 LEU 632 HA -0.06 0.04 0.45 -0.75 4.35 4.02 2h6fB1 LEU 632 HB2 -0.15 0.18 0.17 -0.04 1.64 1.80 2h6fB1 LEU 632 HB3 -0.05 -0.12 0.11 -0.04 1.64 1.53 2h6fB1 LEU 632 HG 0.00 0.25 0.12 -0.04 1.64 1.97 2h6fB1 LEU 632 HD13 0.09 -0.04 0.02 -0.04 0.93 0.95 2h6fB1 LEU 632 HD23 -0.01 -0.02 0.02 -0.04 0.89 0.84 2h6fB1 CYS 633 H -0.21 0.26 -0.55 -0.55 8.50 7.45 2h6fB1 CYS 633 HA -0.14 -0.00 0.37 -0.75 4.58 4.06 2h6fB1 CYS 633 HB2 -0.10 0.13 0.05 -0.04 2.97 3.02 2h6fB1 CYS 633 HB3 -0.06 -0.00 -0.02 -0.04 2.97 2.85 2h6fB1 GLN 634 H -0.10 0.34 -0.34 -0.55 8.47 7.83 2h6fB1 GLN 634 HA -0.62 -0.01 0.62 -0.75 4.36 3.60 2h6fB1 GLN 634 HB2 -0.42 0.01 0.12 -0.04 2.15 1.82 2h6fB1 GLN 634 HB3 -0.27 0.06 0.10 -0.04 2.02 1.87 2h6fB1 GLN 634 HG2 -0.47 0.10 -0.06 -0.04 2.40 1.93 2h6fB1 GLN 634 HG3 -1.33 0.01 -0.00 -0.04 2.39 1.03 2h6fB1 GLN 634 HE21 -0.08 0.55 0.13 -0.04 6.97 7.53 2h6fB1 GLN 634 HE22 -0.17 0.04 0.05 -0.04 7.69 7.57 2h6fB1 SER 635 H -0.37 0.57 0.20 -0.55 8.46 8.32 2h6fB1 SER 635 HA -0.13 0.19 0.64 -0.75 4.49 4.45 2h6fB1 SER 635 HB2 -0.14 0.08 -0.03 -0.04 3.95 3.82 2h6fB1 SER 635 HB3 -0.28 0.19 -0.08 -0.04 3.93 3.72 2h6fB1 PRO 636 HA -0.09 0.12 0.48 -0.51 4.44 4.43 2h6fB1 PRO 636 HB2 -0.05 0.01 0.03 -0.04 2.28 2.23 2h6fB1 PRO 636 HB3 -0.05 0.04 0.12 -0.04 2.02 2.09 2h6fB1 PRO 636 HG2 -0.05 -0.01 0.07 -0.04 2.03 2.00 2h6fB1 PRO 636 HG3 -0.03 0.04 0.08 -0.04 2.03 2.07 2h6fB1 PRO 636 HD2 -0.06 0.10 0.22 -0.04 3.68 3.91 2h6fB1 PRO 636 HD3 -0.06 0.21 0.18 -0.04 3.65 3.94 2h6fB1 GLU 637 H -0.11 0.10 -0.29 -0.55 8.60 7.76 2h6fB1 GLU 637 HA -0.05 0.11 0.58 -0.75 4.29 4.18 2h6fB1 GLU 637 HB2 -0.01 -0.00 0.11 -0.04 2.09 2.15 2h6fB1 GLU 637 HB3 -0.05 -0.05 0.05 -0.04 1.99 1.89 2h6fB1 GLU 637 HG2 -0.13 -0.07 -0.01 -0.04 2.34 2.09 2h6fB1 GLU 637 HG3 -0.19 0.21 -0.25 -0.04 2.34 2.06 2h6fB1 GLY 638 H -0.19 0.36 -0.59 -0.55 8.43 7.46 2h6fB1 GLY 638 HA2 -0.19 -0.02 0.18 -0.51 4.01 3.47 2h6fB1 GLY 638 HA3 -0.09 0.31 0.49 -0.51 4.01 4.21 2h6fB1 GLY 639 H -0.24 0.06 0.06 -0.55 8.43 7.76 2h6fB1 GLY 639 HA2 -0.08 0.01 0.33 -0.51 4.01 3.76 2h6fB1 GLY 639 HA3 -0.52 0.12 0.51 -0.51 4.01 3.61 2h6fB1 PHE 640 H 0.12 0.13 0.17 -0.55 8.34 8.20 2h6fB1 PHE 640 HA -0.14 0.28 0.93 -0.75 4.62 4.93 2h6fB1 PHE 640 HB2 -0.13 -0.11 -0.19 -0.04 3.15 2.68 2h6fB1 PHE 640 HB3 -0.15 0.14 -0.14 -0.04 3.06 2.87 2h6fB1 PHE 640 HD2 -0.13 -0.01 -0.13 -0.04 7.28 6.97 2h6fB1 PHE 640 HE2 -0.09 0.04 -0.17 -0.04 7.38 7.12 2h6fB1 PHE 640 HZ -0.06 0.01 -0.19 -0.04 7.32 7.04 2h6fB1 GLY 641 H 0.00 0.75 0.17 -0.55 8.43 8.81 2h6fB1 GLY 641 HA2 0.04 0.10 0.80 -0.51 4.01 4.45 2h6fB1 GLY 641 HA3 0.00 0.21 0.13 -0.51 4.01 3.84 2h6fB1 GLY 642 H -0.00 0.20 0.13 -0.55 8.43 8.20 2h6fB1 GLY 642 HA2 -0.01 -0.03 0.23 -0.51 4.01 3.68 2h6fB1 GLY 642 HA3 0.01 0.07 0.18 -0.51 4.01 3.76 2h6fB1 GLY 643 H -0.01 0.24 -0.33 -0.55 8.43 7.78 2h6fB1 GLY 643 HA2 0.04 0.07 0.37 -0.51 4.01 3.98 2h6fB1 GLY 643 HA3 0.06 0.12 0.34 -0.51 4.01 4.01 2h6fB1 PRO 644 HA -0.07 0.34 0.42 -0.51 4.44 4.63 2h6fB1 PRO 644 HB2 0.03 -0.04 0.09 -0.04 2.28 2.31 2h6fB1 PRO 644 HB3 -0.01 0.08 0.07 -0.04 2.02 2.13 2h6fB1 PRO 644 HG2 0.16 0.00 0.06 -0.04 2.03 2.22 2h6fB1 PRO 644 HG3 -0.07 0.09 -0.04 -0.04 2.03 1.97 2h6fB1 PRO 644 HD2 0.12 0.08 0.18 -0.04 3.68 4.01 2h6fB1 PRO 644 HD3 0.16 0.10 0.17 -0.04 3.65 4.03 2h6fB1 GLY 645 H -0.04 0.34 0.23 -0.55 8.43 8.41 2h6fB1 GLY 645 HA2 -0.01 0.01 0.36 -0.51 4.01 3.85 2h6fB1 GLY 645 HA3 -0.02 0.04 0.49 -0.51 4.01 4.02 2h6fB1 GLN 646 H -0.03 0.42 -0.36 -0.55 8.47 7.96 2h6fB1 GLN 646 HA -0.13 0.04 0.58 -0.75 4.36 4.10 2h6fB1 GLN 646 HB2 -0.02 -0.06 0.10 -0.04 2.15 2.13 2h6fB1 GLN 646 HB3 -0.04 -0.02 0.11 -0.04 2.02 2.03 2h6fB1 GLN 646 HG2 -0.07 -0.02 -0.04 -0.04 2.40 2.23 2h6fB1 GLN 646 HG3 -0.03 0.14 -0.23 -0.04 2.39 2.23 2h6fB1 GLN 646 HE21 0.03 0.46 -0.08 -0.04 6.97 7.35 2h6fB1 GLN 646 HE22 0.02 0.03 -0.13 -0.04 7.69 7.56 2h6fB1 TYR 647 H -0.15 0.03 0.16 -0.55 8.29 7.78 2h6fB1 TYR 647 HA -0.02 0.10 0.43 -0.75 4.56 4.32 2h6fB1 TYR 647 HB2 0.04 -0.08 0.10 -0.04 3.06 3.08 2h6fB1 TYR 647 HB3 0.07 0.08 0.10 -0.04 2.98 3.20 2h6fB1 TYR 647 HD2 0.05 0.04 -0.00 -0.04 7.15 7.19 2h6fB1 TYR 647 HE2 0.03 -0.00 0.02 -0.04 6.85 6.86 2h6fB1 PRO 648 HA -0.02 0.14 -0.05 -0.51 4.44 4.00 2h6fB1 PRO 648 HB2 -0.78 -0.05 -0.07 -0.04 2.28 1.34 2h6fB1 PRO 648 HB3 -0.39 0.08 -0.19 -0.04 2.02 1.48 2h6fB1 PRO 648 HG2 -0.12 -0.08 0.01 -0.04 2.03 1.80 2h6fB1 PRO 648 HG3 -0.45 0.15 -0.01 -0.04 2.03 1.68 2h6fB1 PRO 648 HD2 0.03 0.01 0.21 -0.04 3.68 3.88 2h6fB1 PRO 648 HD3 -0.06 0.13 0.13 -0.04 3.65 3.81 2h6fB1 HIS 649 H 0.15 0.65 0.30 -0.55 8.41 8.97 2h6fB1 HIS 649 HA 0.26 0.19 0.77 -0.75 4.63 5.10 2h6fB1 HIS 649 HB2 0.03 0.14 -0.23 -0.04 3.26 3.16 2h6fB1 HIS 649 HB3 0.06 -0.05 0.10 -0.04 3.20 3.27 2h6fB1 HIS 649 HD2 -0.37 0.06 -0.03 -0.04 6.97 6.59 2h6fB1 HIS 649 HE1 0.20 -0.04 0.02 -0.04 7.75 7.89 2h6fB1 LEU 650 H 0.03 0.85 0.34 -0.55 8.37 9.04 2h6fB1 LEU 650 HA 0.18 0.06 0.43 -0.75 4.35 4.27 2h6fB1 LEU 650 HB2 0.05 -0.01 0.22 -0.04 1.64 1.86 2h6fB1 LEU 650 HB3 0.06 -0.07 0.02 -0.04 1.64 1.61 2h6fB1 LEU 650 HG 0.03 0.10 0.00 -0.04 1.64 1.74 2h6fB1 LEU 650 HD13 -0.08 0.04 0.03 -0.04 0.93 0.88 2h6fB1 LEU 650 HD23 0.04 -0.02 -0.09 -0.04 0.89 0.78 2h6fB1 ALA 651 H 0.76 0.12 -0.19 -0.55 8.40 8.54 2h6fB1 ALA 651 HA 0.19 0.08 0.46 -0.75 4.34 4.31 2h6fB1 ALA 651 HB3 0.51 0.01 0.06 -0.04 1.41 1.95 2h6fB1 PRO 652 HA -0.66 -0.03 0.39 -0.51 4.44 3.63 2h6fB1 PRO 652 HB2 -0.10 0.22 -0.39 -0.04 2.28 1.97 2h6fB1 PRO 652 HB3 -0.15 -0.06 -0.09 -0.04 2.02 1.67 2h6fB1 PRO 652 HG2 0.06 0.40 0.08 -0.04 2.03 2.52 2h6fB1 PRO 652 HG3 -0.03 0.00 -0.07 -0.04 2.03 1.89 2h6fB1 PRO 652 HD2 0.21 -0.12 -0.04 -0.04 3.68 3.69 2h6fB1 PRO 652 HD3 -0.09 0.11 0.06 -0.04 3.65 3.69 2h6fB1 THR 653 H 0.02 0.40 -0.42 -0.55 8.28 7.73 2h6fB1 THR 653 HA 0.07 0.02 0.47 -0.75 4.39 4.19 2h6fB1 THR 653 HB 0.12 0.08 0.16 -0.04 4.32 4.63 2h6fB1 THR 653 HG23 0.18 0.01 -0.10 -0.04 1.22 1.26 2h6fB1 TYR 654 H -0.01 0.61 -0.05 -0.55 8.29 8.28 2h6fB1 TYR 654 HA -0.20 0.04 0.42 -0.75 4.56 4.07 2h6fB1 TYR 654 HB2 -0.14 -0.02 0.20 -0.04 3.06 3.06 2h6fB1 TYR 654 HB3 -0.28 0.12 0.26 -0.04 2.98 3.04 2h6fB1 TYR 654 HD2 -0.38 -0.00 -0.02 -0.04 7.15 6.70 2h6fB1 TYR 654 HE2 0.20 -0.00 -0.07 -0.04 6.85 6.94 2h6fB1 ALA 655 H -0.63 0.45 -0.22 -0.55 8.40 7.45 2h6fB1 ALA 655 HA -0.91 0.05 0.37 -0.75 4.34 3.09 2h6fB1 ALA 655 HB3 -0.97 0.02 -0.14 -0.04 1.41 0.28 2h6fB1 ALA 656 H -0.50 0.65 -0.20 -0.55 8.40 7.80 2h6fB1 ALA 656 HA -0.41 -0.01 0.40 -0.75 4.34 3.56 2h6fB1 ALA 656 HB3 -1.07 0.02 0.07 -0.04 1.41 0.39 2h6fB1 VAL 657 H -0.44 0.59 -0.16 -0.55 8.24 7.68 2h6fB1 VAL 657 HA -0.22 0.03 0.38 -0.75 4.13 3.57 2h6fB1 VAL 657 HB -0.23 0.09 0.10 -0.04 2.12 2.04 2h6fB1 VAL 657 HG13 -0.13 -0.00 -0.13 -0.04 0.97 0.67 2h6fB1 VAL 657 HG23 -0.08 0.02 0.01 -0.04 0.95 0.85 2h6fB1 ASN 658 H -0.48 0.52 -0.20 -0.55 8.53 7.83 2h6fB1 ASN 658 HA -0.20 0.02 0.35 -0.75 4.76 4.17 2h6fB1 ASN 658 HB2 -0.86 0.09 0.16 -0.04 2.88 2.23 2h6fB1 ASN 658 HB3 -0.38 -0.04 -0.07 -0.04 2.79 2.26 2h6fB1 ASN 658 HD21 -0.25 0.25 0.01 -0.04 7.03 7.00 2h6fB1 ASN 658 HD22 -1.11 -0.09 -0.05 -0.04 7.74 6.45 2h6fB1 ALA 659 H -0.21 0.63 -0.18 -0.55 8.40 8.10 2h6fB1 ALA 659 HA 0.05 -0.01 0.37 -0.75 4.34 3.99 2h6fB1 ALA 659 HB3 -0.07 0.02 0.02 -0.04 1.41 1.34 2h6fB1 LEU 660 H -0.14 0.66 -0.14 -0.55 8.37 8.21 2h6fB1 LEU 660 HA -0.06 -0.05 0.40 -0.75 4.35 3.89 2h6fB1 LEU 660 HB2 -0.03 0.13 0.09 -0.04 1.64 1.78 2h6fB1 LEU 660 HB3 0.04 -0.03 -0.13 -0.04 1.64 1.47 2h6fB1 LEU 660 HG -0.17 0.10 0.04 -0.04 1.64 1.57 2h6fB1 LEU 660 HD13 -0.05 0.01 -0.11 -0.04 0.93 0.74 2h6fB1 LEU 660 HD23 -0.03 -0.01 0.02 -0.04 0.89 0.83 2h6fB1 CYS 661 H -0.01 0.54 -0.29 -0.55 8.50 8.18 2h6fB1 CYS 661 HA 0.23 0.02 0.44 -0.75 4.58 4.52 2h6fB1 CYS 661 HB2 -0.01 0.09 0.07 -0.04 2.97 3.08 2h6fB1 CYS 661 HB3 0.05 -0.05 -0.06 -0.04 2.97 2.87 2h6fB1 ILE 662 H 0.01 0.46 -0.26 -0.55 8.25 7.91 2h6fB1 ILE 662 HA 0.04 -0.05 0.43 -0.75 4.18 3.85 2h6fB1 ILE 662 HB 0.03 0.13 0.14 -0.04 1.89 2.15 2h6fB1 ILE 662 HG12 0.11 -0.17 0.03 -0.04 1.49 1.42 2h6fB1 ILE 662 HG13 0.07 0.23 0.03 -0.04 1.21 1.51 2h6fB1 ILE 662 HG23 0.04 -0.03 -0.18 -0.04 0.93 0.72 2h6fB1 ILE 662 HD13 0.17 -0.01 -0.11 -0.04 0.88 0.88 2h6fB1 ILE 663 H -0.04 0.41 -0.18 -0.55 8.25 7.89 2h6fB1 ILE 663 HA -0.05 0.01 0.42 -0.75 4.18 3.80 2h6fB1 ILE 663 HB -0.10 0.12 0.17 -0.04 1.89 2.04 2h6fB1 ILE 663 HG12 -0.04 -0.06 0.03 -0.04 1.49 1.38 2h6fB1 ILE 663 HG13 -0.04 0.20 0.07 -0.04 1.21 1.40 2h6fB1 ILE 663 HG23 -0.10 -0.07 -0.06 -0.04 0.93 0.65 2h6fB1 ILE 663 HD13 -0.04 -0.01 -0.01 -0.04 0.88 0.78 2h6fB1 GLY 664 H -0.14 0.47 -0.23 -0.55 8.43 7.98 2h6fB1 GLY 664 HA2 -0.36 0.05 0.27 -0.51 4.01 3.46 2h6fB1 GLY 664 HA3 -0.13 0.08 0.21 -0.51 4.01 3.66 2h6fB1 THR 665 H -0.39 0.02 -0.25 -0.55 8.28 7.10 2h6fB1 THR 665 HA -0.31 0.25 0.74 -0.75 4.39 4.31 2h6fB1 THR 665 HB -0.17 -0.10 0.13 -0.04 4.32 4.14 2h6fB1 THR 665 HG23 -0.13 0.08 -0.05 -0.04 1.22 1.08 2h6fB1 GLU 666 H -0.23 0.19 0.16 -0.55 8.60 8.17 2h6fB1 GLU 666 HA -0.39 0.16 0.43 -0.75 4.29 3.74 2h6fB1 GLU 666 HB2 -0.08 -0.05 0.13 -0.04 2.09 2.04 2h6fB1 GLU 666 HB3 -0.02 0.05 0.00 -0.04 1.99 1.98 2h6fB1 GLU 666 HG2 -0.17 0.08 0.03 -0.04 2.34 2.24 2h6fB1 GLU 666 HG3 -0.10 0.00 0.06 -0.04 2.34 2.26 2h6fB1 GLU 667 H -0.15 0.03 -0.20 -0.55 8.60 7.74 2h6fB1 GLU 667 HA -0.03 0.12 0.32 -0.75 4.29 3.94 2h6fB1 GLU 667 HB2 -0.05 0.01 0.05 -0.04 2.09 2.05 2h6fB1 GLU 667 HB3 -0.09 -0.08 0.02 -0.04 1.99 1.80 2h6fB1 GLU 667 HG2 -0.04 0.04 -0.36 -0.04 2.34 1.94 2h6fB1 GLU 667 HG3 -0.02 0.04 -0.05 -0.04 2.34 2.27 2h6fB1 ALA 668 H -0.22 -0.01 -0.36 -0.55 8.40 7.27 2h6fB1 ALA 668 HA -0.05 0.06 0.39 -0.75 4.34 3.98 2h6fB1 ALA 668 HB3 -0.20 0.02 0.09 -0.04 1.41 1.27 2h6fB1 TYR 669 H -0.35 0.48 -0.13 -0.55 8.29 7.74 2h6fB1 TYR 669 HA 0.16 0.02 0.31 -0.75 4.56 4.30 2h6fB1 TYR 669 HB2 -0.48 0.01 0.09 -0.04 3.06 2.64 2h6fB1 TYR 669 HB3 -0.38 0.03 -0.05 -0.04 2.98 2.54 2h6fB1 TYR 669 HD2 -0.85 -0.06 -0.13 -0.04 7.15 6.06 2h6fB1 TYR 669 HE2 -0.25 -0.01 -0.09 -0.04 6.85 6.46 2h6fB1 ASP 670 H 0.09 0.55 -0.21 -0.55 8.40 8.29 2h6fB1 ASP 670 HA 0.23 0.10 0.40 -0.75 4.63 4.61 2h6fB1 ASP 670 HB2 0.07 0.04 0.03 -0.04 2.71 2.80 2h6fB1 ASP 670 HB3 0.10 -0.06 0.07 -0.04 2.70 2.77 2h6fB1 ILE 671 H 0.11 0.33 -0.60 -0.55 8.25 7.54 2h6fB1 ILE 671 HA 0.06 -0.01 0.39 -0.75 4.18 3.87 2h6fB1 ILE 671 HB 0.11 0.16 0.09 -0.04 1.89 2.22 2h6fB1 ILE 671 HG12 0.04 -0.08 -0.01 -0.04 1.49 1.39 2h6fB1 ILE 671 HG13 0.03 0.35 0.10 -0.04 1.21 1.66 2h6fB1 ILE 671 HG23 0.14 -0.04 -0.18 -0.04 0.93 0.81 2h6fB1 ILE 671 HD13 0.02 -0.01 0.02 -0.04 0.88 0.87 2h6fB1 ILE 672 H 0.19 0.32 -0.21 -0.55 8.25 8.01 2h6fB1 ILE 672 HA 0.15 -0.05 0.33 -0.75 4.18 3.86 2h6fB1 ILE 672 HB 0.15 0.15 0.09 -0.04 1.89 2.25 2h6fB1 ILE 672 HG12 0.27 -0.08 -0.06 -0.04 1.49 1.58 2h6fB1 ILE 672 HG13 0.21 0.05 0.04 -0.04 1.21 1.47 2h6fB1 ILE 672 HG23 0.03 -0.05 -0.27 -0.04 0.93 0.60 2h6fB1 ILE 672 HD13 0.08 0.00 -0.01 -0.04 0.88 0.91 2h6fB1 ASN 673 H -0.07 0.14 0.14 -0.55 8.53 8.19 2h6fB1 ASN 673 HA -0.00 0.16 0.67 -0.75 4.76 4.83 2h6fB1 ASN 673 HB2 -0.08 0.17 0.14 -0.04 2.88 3.07 2h6fB1 ASN 673 HB3 -0.12 -0.07 0.24 -0.04 2.79 2.80 2h6fB1 ASN 673 HD21 -0.04 -0.01 0.03 -0.04 7.03 6.96 2h6fB1 ASN 673 HD22 -0.07 0.11 0.04 -0.04 7.74 7.78 2h6fB1 ARG 674 H 0.02 0.40 0.11 -0.55 8.46 8.43 2h6fB1 ARG 674 HA -0.04 0.04 0.37 -0.75 4.34 3.96 2h6fB1 ARG 674 HB2 0.02 -0.03 0.13 -0.04 1.90 1.98 2h6fB1 ARG 674 HB3 -0.02 0.10 0.02 -0.04 1.80 1.86 2h6fB1 ARG 674 HG2 -0.13 -0.03 -0.03 -0.04 1.67 1.44 2h6fB1 ARG 674 HG3 0.04 0.11 -0.02 -0.04 1.67 1.76 2h6fB1 ARG 674 HD2 0.25 0.00 0.02 -0.04 3.22 3.45 2h6fB1 ARG 674 HD3 0.14 -0.06 0.05 -0.04 3.22 3.30 2h6fB1 GLU 675 H -0.01 0.12 -0.05 -0.55 8.60 8.11 2h6fB1 GLU 675 HA -0.03 0.13 0.43 -0.75 4.29 4.06 2h6fB1 GLU 675 HB2 -0.03 -0.05 0.09 -0.04 2.09 2.07 2h6fB1 GLU 675 HB3 -0.03 0.04 -0.02 -0.04 1.99 1.94 2h6fB1 GLU 675 HG2 -0.01 0.02 0.03 -0.04 2.34 2.34 2h6fB1 GLU 675 HG3 -0.01 0.00 0.04 -0.04 2.34 2.33 2h6fB1 LYS 676 H -0.04 0.10 -0.21 -0.55 8.42 7.72 2h6fB1 LYS 676 HA -0.03 0.09 0.43 -0.75 4.32 4.06 2h6fB1 LYS 676 HB2 -0.08 0.02 0.02 -0.04 1.87 1.79 2h6fB1 LYS 676 HB3 -0.07 0.08 -0.36 -0.04 1.79 1.40 2h6fB1 LYS 676 HG2 -0.05 -0.12 0.00 -0.04 1.46 1.26 2h6fB1 LYS 676 HG3 -0.06 0.18 -0.00 -0.04 1.46 1.53 2h6fB1 LYS 676 HD2 -0.04 -0.07 -0.12 -0.04 1.69 1.42 2h6fB1 LYS 676 HD3 -0.04 -0.02 -0.02 -0.04 1.68 1.55 2h6fB1 LYS 676 HE2 -0.05 0.32 0.12 -0.04 2.99 3.34 2h6fB1 LYS 676 HE3 -0.03 0.08 -0.09 -0.04 2.99 2.91 2h6fB1 LEU 677 H -0.04 0.43 -0.24 -0.55 8.37 7.97 2h6fB1 LEU 677 HA 0.04 -0.09 0.44 -0.75 4.35 3.99 2h6fB1 LEU 677 HB2 -0.02 0.02 0.08 -0.04 1.64 1.68 2h6fB1 LEU 677 HB3 -0.02 0.16 0.12 -0.04 1.64 1.86 2h6fB1 LEU 677 HG 0.03 0.02 -0.26 -0.04 1.64 1.39 2h6fB1 LEU 677 HD13 0.11 -0.04 0.01 -0.04 0.93 0.97 2h6fB1 LEU 677 HD23 -0.00 0.01 -0.12 -0.04 0.89 0.73 2h6fB1 LEU 678 H -0.02 0.56 -0.14 -0.55 8.37 8.21 2h6fB1 LEU 678 HA 0.01 0.01 0.43 -0.75 4.35 4.04 2h6fB1 LEU 678 HB2 -0.04 0.07 0.16 -0.04 1.64 1.78 2h6fB1 LEU 678 HB3 -0.10 0.10 0.16 -0.04 1.64 1.76 2h6fB1 LEU 678 HG -0.33 -0.07 -0.13 -0.04 1.64 1.06 2h6fB1 LEU 678 HD13 0.07 -0.02 0.09 -0.04 0.93 1.02 2h6fB1 LEU 678 HD23 -0.10 0.02 0.01 -0.04 0.89 0.78 2h6fB1 GLN 679 H -0.05 0.41 -0.14 -0.55 8.47 8.14 2h6fB1 GLN 679 HA -0.16 -0.00 0.43 -0.75 4.36 3.88 2h6fB1 GLN 679 HB2 -0.02 0.11 0.18 -0.04 2.15 2.37 2h6fB1 GLN 679 HB3 -0.03 -0.04 0.02 -0.04 2.02 1.93 2h6fB1 GLN 679 HG2 -0.14 -0.05 0.03 -0.04 2.40 2.21 2h6fB1 GLN 679 HG3 -0.11 0.16 0.08 -0.04 2.39 2.48 2h6fB1 GLN 679 HE21 -0.05 -0.05 -0.07 -0.04 6.97 6.76 2h6fB1 GLN 679 HE22 -0.07 0.03 -0.08 -0.04 7.69 7.54 2h6fB1 TYR 680 H 0.13 0.60 -0.24 -0.55 8.29 8.23 2h6fB1 TYR 680 HA -0.01 0.01 0.38 -0.75 4.56 4.18 2h6fB1 TYR 680 HB2 -0.04 0.22 0.06 -0.04 3.06 3.27 2h6fB1 TYR 680 HB3 -0.02 0.07 0.08 -0.04 2.98 3.07 2h6fB1 TYR 680 HD2 -0.01 0.01 -0.14 -0.04 7.15 6.97 2h6fB1 TYR 680 HE2 0.02 -0.09 -0.17 -0.04 6.85 6.56 2h6fB1 LEU 681 H 0.08 0.54 -0.15 -0.55 8.37 8.30 2h6fB1 LEU 681 HA -0.12 -0.03 0.35 -0.75 4.35 3.79 2h6fB1 LEU 681 HB2 0.09 0.14 0.14 -0.04 1.64 1.97 2h6fB1 LEU 681 HB3 0.04 -0.06 -0.01 -0.04 1.64 1.57 2h6fB1 LEU 681 HG 0.06 0.29 0.03 -0.04 1.64 1.98 2h6fB1 LEU 681 HD13 -0.01 -0.02 -0.07 -0.04 0.93 0.79 2h6fB1 LEU 681 HD23 -0.05 -0.04 -0.06 -0.04 0.89 0.70 2h6fB1 TYR 682 H 0.23 0.56 -0.19 -0.55 8.29 8.35 2h6fB1 TYR 682 HA -0.12 0.00 0.43 -0.75 4.56 4.12 2h6fB1 TYR 682 HB2 -0.07 0.16 0.21 -0.04 3.06 3.32 2h6fB1 TYR 682 HB3 -0.09 -0.05 -0.01 -0.04 2.98 2.79 2h6fB1 TYR 682 HD2 -0.10 0.03 0.02 -0.04 7.15 7.06 2h6fB1 TYR 682 HE2 -0.13 -0.04 -0.01 -0.04 6.85 6.62 2h6fB1 SER 683 H 0.00 0.49 -0.27 -0.55 8.46 8.13 2h6fB1 SER 683 HA -0.05 0.01 0.38 -0.75 4.49 4.07 2h6fB1 SER 683 HB2 -0.03 -0.13 0.13 -0.04 3.95 3.88 2h6fB1 SER 683 HB3 0.00 0.08 0.12 -0.04 3.93 4.09 2h6fB1 LEU 684 H -0.13 0.43 -0.63 -0.55 8.37 7.49 2h6fB1 LEU 684 HA -0.15 0.07 0.84 -0.75 4.35 4.36 2h6fB1 LEU 684 HB2 0.01 0.14 0.04 -0.04 1.64 1.79 2h6fB1 LEU 684 HB3 -0.06 -0.14 0.08 -0.04 1.64 1.48 2h6fB1 LEU 684 HG -0.64 0.29 -0.19 -0.04 1.64 1.06 2h6fB1 LEU 684 HD13 -0.39 0.01 -0.22 -0.04 0.93 0.29 2h6fB1 LEU 684 HD23 -0.18 -0.03 -0.36 -0.04 0.89 0.28 2h6fB1 LYS 685 H -0.24 0.36 -0.03 -0.55 8.42 7.95 2h6fB1 LYS 685 HA -1.01 0.03 0.57 -0.75 4.32 3.16 2h6fB1 LYS 685 HB2 -0.64 0.01 0.13 -0.04 1.87 1.33 2h6fB1 LYS 685 HB3 -0.44 0.06 0.20 -0.04 1.79 1.57 2h6fB1 LYS 685 HG2 -0.54 -0.03 -0.01 -0.04 1.46 0.84 2h6fB1 LYS 685 HG3 -0.49 -0.02 -0.33 -0.04 1.46 0.58 2h6fB1 LYS 685 HD2 -1.34 0.02 0.00 -0.04 1.69 0.33 2h6fB1 LYS 685 HD3 -1.28 0.03 0.03 -0.04 1.68 0.42 2h6fB1 LYS 685 HE2 -0.39 0.07 -0.00 -0.04 2.99 2.62 2h6fB1 LYS 685 HE3 -0.35 -0.04 -0.06 -0.04 2.99 2.50 2h6fB1 GLN 686 H -0.58 0.70 0.31 -0.55 8.47 8.35 2h6fB1 GLN 686 HA -0.24 0.19 0.72 -0.75 4.36 4.28 2h6fB1 GLN 686 HB2 -0.35 -0.12 -0.01 -0.04 2.15 1.62 2h6fB1 GLN 686 HB3 -0.21 -0.09 0.04 -0.04 2.02 1.72 2h6fB1 GLN 686 HG2 -0.30 0.16 -0.17 -0.04 2.40 2.05 2h6fB1 GLN 686 HG3 -0.24 -0.12 -0.20 -0.04 2.39 1.79 2h6fB1 GLN 686 HE21 -0.15 -0.03 -0.15 -0.04 6.97 6.60 2h6fB1 GLN 686 HE22 -0.21 0.22 -0.46 -0.04 7.69 7.21 2h6fB1 PRO 687 HA -0.15 0.17 0.44 -0.51 4.44 4.39 2h6fB1 PRO 687 HB2 -0.07 0.02 0.01 -0.04 2.28 2.20 2h6fB1 PRO 687 HB3 -0.10 0.06 0.11 -0.04 2.02 2.05 2h6fB1 PRO 687 HG2 -0.08 -0.03 0.06 -0.04 2.03 1.94 2h6fB1 PRO 687 HG3 -0.08 0.05 0.07 -0.04 2.03 2.03 2h6fB1 PRO 687 HD2 -0.14 0.05 0.21 -0.04 3.68 3.77 2h6fB1 PRO 687 HD3 -0.13 0.21 0.18 -0.04 3.65 3.87 2h6fB1 ASP 688 H -0.14 0.06 -0.27 -0.55 8.40 7.51 2h6fB1 ASP 688 HA -0.01 0.18 0.59 -0.75 4.63 4.64 2h6fB1 ASP 688 HB2 0.14 0.03 0.14 -0.04 2.71 2.98 2h6fB1 ASP 688 HB3 0.01 -0.00 0.05 -0.04 2.70 2.72 2h6fB1 GLY 689 H -0.20 0.45 -0.56 -0.55 8.43 7.57 2h6fB1 GLY 689 HA2 -0.14 0.25 0.17 -0.51 4.01 3.77 2h6fB1 GLY 689 HA3 0.00 0.15 0.32 -0.51 4.01 3.98 2h6fB1 SER 690 H -0.56 -0.06 -0.36 -0.55 8.46 6.94 2h6fB1 SER 690 HA -0.72 0.12 0.51 -0.75 4.49 3.64 2h6fB1 SER 690 HB2 -1.25 -0.04 0.04 -0.04 3.95 2.67 2h6fB1 SER 690 HB3 -2.53 0.03 -0.05 -0.04 3.93 1.33 2h6fB1 PHE 691 H -0.25 0.11 0.14 -0.55 8.34 7.78 2h6fB1 PHE 691 HA -0.24 0.36 0.89 -0.75 4.62 4.87 2h6fB1 PHE 691 HB2 -0.14 -0.23 -0.16 -0.04 3.15 2.58 2h6fB1 PHE 691 HB3 -0.15 0.19 -0.09 -0.04 3.06 2.96 2h6fB1 PHE 691 HD2 -0.15 -0.07 -0.20 -0.04 7.28 6.82 2h6fB1 PHE 691 HE2 -0.05 0.02 -0.07 -0.04 7.38 7.24 2h6fB1 PHE 691 HZ -0.57 0.09 -0.11 -0.04 7.32 6.69 2h6fB1 LEU 692 H -0.08 0.58 0.21 -0.55 8.37 8.53 2h6fB1 LEU 692 HA -0.09 0.10 0.52 -0.75 4.35 4.13 2h6fB1 LEU 692 HB2 -0.12 -0.01 -0.02 -0.04 1.64 1.45 2h6fB1 LEU 692 HB3 -0.15 -0.03 0.07 -0.04 1.64 1.49 2h6fB1 LEU 692 HG -0.15 0.19 0.04 -0.04 1.64 1.68 2h6fB1 LEU 692 HD13 -0.13 -0.02 0.07 -0.04 0.93 0.81 2h6fB1 LEU 692 HD23 -0.12 0.03 -0.08 -0.04 0.89 0.68 2h6fB1 MET 693 H -0.06 0.50 0.21 -0.55 8.47 8.57 2h6fB1 MET 693 HA -0.05 0.06 0.58 -0.75 4.52 4.35 2h6fB1 MET 693 HB2 0.03 -0.01 0.16 -0.04 2.15 2.28 2h6fB1 MET 693 HB3 -0.32 -0.10 0.07 -0.04 2.03 1.64 2h6fB1 MET 693 HG2 0.05 0.15 0.03 -0.04 2.63 2.82 2h6fB1 MET 693 HG3 0.16 -0.05 -0.01 -0.04 2.56 2.62 2h6fB1 MET 693 HE3 0.30 -0.03 -0.05 -0.04 2.10 2.28 2h6fB1 HIS 694 H -0.17 0.22 0.00 -0.55 8.41 7.92 2h6fB1 HIS 694 HA 0.03 0.16 0.34 -0.75 4.63 4.41 2h6fB1 HIS 694 HB2 0.13 0.23 0.20 -0.04 3.26 3.77 2h6fB1 HIS 694 HB3 -0.19 -0.04 0.03 -0.04 3.20 2.97 2h6fB1 HIS 694 HD2 -0.10 -0.15 -0.10 -0.04 6.97 6.58 2h6fB1 HIS 694 HE1 0.13 0.04 -0.11 -0.04 7.75 7.77 2h6fB1 VAL 695 H 0.18 0.23 0.08 -0.55 8.24 8.17 2h6fB1 VAL 695 HA -0.08 0.08 0.45 -0.75 4.13 3.83 2h6fB1 VAL 695 HB 0.03 -0.01 0.15 -0.04 2.12 2.24 2h6fB1 VAL 695 HG13 -0.04 0.01 -0.07 -0.04 0.97 0.82 2h6fB1 VAL 695 HG23 0.06 0.04 0.04 -0.04 0.95 1.04 2h6fB1 GLY 696 H -0.12 0.18 0.26 -0.55 8.43 8.20 2h6fB1 GLY 696 HA2 -0.09 0.01 0.37 -0.51 4.01 3.80 2h6fB1 GLY 696 HA3 -0.06 0.06 0.48 -0.51 4.01 3.97 2h6fB1 GLY 697 H -0.37 0.44 -0.13 -0.55 8.43 7.83 2h6fB1 GLY 697 HA2 -0.29 0.17 0.70 -0.51 4.01 4.07 2h6fB1 GLY 697 HA3 -0.82 -0.09 0.27 -0.51 4.01 2.85 2h6fB1 GLU 698 H 0.02 0.07 0.17 -0.55 8.60 8.31 2h6fB1 GLU 698 HA -0.01 0.18 0.54 -0.75 4.29 4.25 2h6fB1 GLU 698 HB2 0.05 0.04 0.10 -0.04 2.09 2.23 2h6fB1 GLU 698 HB3 0.07 0.03 0.12 -0.04 1.99 2.17 2h6fB1 GLU 698 HG2 0.08 -0.05 -0.27 -0.04 2.34 2.06 2h6fB1 GLU 698 HG3 0.10 0.01 -0.08 -0.04 2.34 2.33 2h6fB1 VAL 699 H 0.00 0.21 0.20 -0.55 8.24 8.11 2h6fB1 VAL 699 HA -0.04 0.26 1.14 -0.75 4.13 4.74 2h6fB1 VAL 699 HB -0.02 -0.03 0.12 -0.04 2.12 2.15 2h6fB1 VAL 699 HG13 -0.20 0.02 -0.15 -0.04 0.97 0.61 2h6fB1 VAL 699 HG23 -0.11 0.04 -0.20 -0.04 0.95 0.64 2h6fB1 ASP 700 H 0.02 0.38 0.30 -0.55 8.40 8.55 2h6fB1 ASP 700 HA 0.25 0.28 0.41 -0.75 4.63 4.81 2h6fB1 ASP 700 HB2 -0.20 -0.04 0.24 -0.04 2.71 2.67 2h6fB1 ASP 700 HB3 -0.01 0.18 0.11 -0.04 2.70 2.93 2h6fB1 VAL 701 H 0.12 0.62 0.35 -0.55 8.24 8.78 2h6fB1 VAL 701 HA 0.44 0.05 0.38 -0.75 4.13 4.25 2h6fB1 VAL 701 HB 0.16 0.20 0.13 -0.04 2.12 2.56 2h6fB1 VAL 701 HG13 0.12 -0.00 -0.05 -0.04 0.97 1.00 2h6fB1 VAL 701 HG23 0.21 -0.00 -0.01 -0.04 0.95 1.10 2h6fB1 ARG 702 H 0.22 0.06 -0.42 -0.55 8.46 7.76 2h6fB1 ARG 702 HA 0.21 0.08 0.38 -0.75 4.34 4.26 2h6fB1 ARG 702 HB2 0.20 -0.01 0.01 -0.04 1.90 2.06 2h6fB1 ARG 702 HB3 0.20 0.03 -0.06 -0.04 1.80 1.93 2h6fB1 ARG 702 HG2 0.11 0.05 -0.03 -0.04 1.67 1.75 2h6fB1 ARG 702 HG3 0.39 -0.06 -0.02 -0.04 1.67 1.94 2h6fB1 ARG 702 HD2 0.18 0.03 -0.04 -0.04 3.22 3.35 2h6fB1 ARG 702 HD3 0.07 -0.01 -0.04 -0.04 3.22 3.20 2h6fB1 SER 703 H 0.10 0.38 -0.13 -0.55 8.46 8.27 2h6fB1 SER 703 HA 0.02 0.01 0.33 -0.75 4.49 4.09 2h6fB1 SER 703 HB2 0.02 0.12 -0.20 -0.04 3.95 3.84 2h6fB1 SER 703 HB3 0.03 -0.09 -0.08 -0.04 3.93 3.75 2h6fB1 ALA 704 H 0.09 0.17 -0.21 -0.55 8.40 7.90 2h6fB1 ALA 704 HA -0.08 0.11 0.39 -0.75 4.34 4.00 2h6fB1 ALA 704 HB3 0.17 0.03 0.05 -0.04 1.41 1.62 2h6fB1 TYR 705 H 0.17 0.33 -0.21 -0.55 8.29 8.03 2h6fB1 TYR 705 HA -0.06 0.06 0.48 -0.75 4.56 4.29 2h6fB1 TYR 705 HB2 -0.01 0.17 0.15 -0.04 3.06 3.33 2h6fB1 TYR 705 HB3 0.01 0.02 0.16 -0.04 2.98 3.14 2h6fB1 TYR 705 HD2 -0.08 -0.05 -0.07 -0.04 7.15 6.91 2h6fB1 TYR 705 HE2 -0.06 0.04 -0.08 -0.04 6.85 6.70 2h6fB1 CYS 706 H -0.01 0.58 -0.02 -0.55 8.50 8.50 2h6fB1 CYS 706 HA -0.31 0.02 0.41 -0.75 4.58 3.94 2h6fB1 CYS 706 HB2 -0.02 0.03 0.11 -0.04 2.97 3.05 2h6fB1 CYS 706 HB3 0.01 0.06 0.02 -0.04 2.97 3.01 2h6fB1 ALA 707 H -0.18 0.59 -0.21 -0.55 8.40 8.06 2h6fB1 ALA 707 HA -0.10 0.00 0.39 -0.75 4.34 3.88 2h6fB1 ALA 707 HB3 -0.54 0.02 0.04 -0.04 1.41 0.89 2h6fB1 ALA 708 H -0.12 0.58 -0.12 -0.55 8.40 8.20 2h6fB1 ALA 708 HA -0.09 -0.00 0.35 -0.75 4.34 3.84 2h6fB1 ALA 708 HB3 -0.32 0.01 0.10 -0.04 1.41 1.15 2h6fB1 SER 709 H -0.20 0.68 -0.23 -0.55 8.46 8.16 2h6fB1 SER 709 HA 0.13 0.01 0.37 -0.75 4.49 4.24 2h6fB1 SER 709 HB2 -0.51 0.04 0.05 -0.04 3.95 3.49 2h6fB1 SER 709 HB3 -0.04 0.04 0.16 -0.04 3.93 4.05 2h6fB1 VAL 710 H 0.00 0.55 -0.04 -0.55 8.24 8.21 2h6fB1 VAL 710 HA -0.04 0.03 0.36 -0.75 4.13 3.73 2h6fB1 VAL 710 HB -0.03 -0.04 -0.01 -0.04 2.12 2.00 2h6fB1 VAL 710 HG13 -0.02 0.03 -0.04 -0.04 0.97 0.90 2h6fB1 VAL 710 HG23 0.02 0.04 -0.05 -0.04 0.95 0.92 2h6fB1 ALA 711 H 0.05 0.60 -0.26 -0.55 8.40 8.24 2h6fB1 ALA 711 HA 0.01 0.02 0.29 -0.75 4.34 3.91 2h6fB1 ALA 711 HB3 0.18 -0.00 -0.05 -0.04 1.41 1.50 2h6fB1 SER 712 H 0.08 0.56 -0.20 -0.55 8.46 8.35 2h6fB1 SER 712 HA 0.07 0.01 0.51 -0.75 4.49 4.33 2h6fB1 SER 712 HB2 0.13 -0.03 0.02 -0.04 3.95 4.03 2h6fB1 SER 712 HB3 0.08 -0.01 0.09 -0.04 3.93 4.05 2h6fB1 LEU 713 H 0.00 0.49 -0.10 -0.55 8.37 8.22 2h6fB1 LEU 713 HA -0.12 0.02 0.36 -0.75 4.35 3.85 2h6fB1 LEU 713 HB2 -0.13 0.05 0.08 -0.04 1.64 1.59 2h6fB1 LEU 713 HB3 -0.13 -0.03 -0.08 -0.04 1.64 1.35 2h6fB1 LEU 713 HG -0.31 0.09 0.04 -0.04 1.64 1.42 2h6fB1 LEU 713 HD13 -0.17 -0.03 -0.15 -0.04 0.93 0.54 2h6fB1 LEU 713 HD23 -0.69 -0.02 -0.03 -0.04 0.89 0.11 2h6fB1 THR 714 H -0.18 0.42 -0.29 -0.55 8.28 7.68 2h6fB1 THR 714 HA -1.11 0.15 0.58 -0.75 4.39 3.26 2h6fB1 THR 714 HB -0.62 -0.03 0.08 -0.04 4.32 3.70 2h6fB1 THR 714 HG23 -0.54 -0.02 -0.05 -0.04 1.22 0.57 2h6fB1 ASN 715 H -0.04 0.25 -0.62 -0.55 8.53 7.58 2h6fB1 ASN 715 HA 0.03 -0.04 0.32 -0.75 4.76 4.32 2h6fB1 ASN 715 HB2 0.08 -0.02 -0.28 -0.04 2.88 2.61 2h6fB1 ASN 715 HB3 0.07 0.25 -0.17 -0.04 2.79 2.91 2h6fB1 ASN 715 HD21 0.05 -0.13 0.08 -0.04 7.03 6.99 2h6fB1 ASN 715 HD22 0.05 0.40 0.11 -0.04 7.74 8.27 2h6fB1 ILE 716 H 0.01 0.48 0.03 -0.55 8.25 8.22 2h6fB1 ILE 716 HA 0.02 0.25 0.91 -0.75 4.18 4.60 2h6fB1 ILE 716 HB -0.02 -0.08 0.15 -0.04 1.89 1.91 2h6fB1 ILE 716 HG12 -0.03 0.11 -0.04 -0.04 1.49 1.48 2h6fB1 ILE 716 HG13 0.02 -0.06 -0.20 -0.04 1.21 0.93 2h6fB1 ILE 716 HG23 -0.05 0.05 -0.23 -0.04 0.93 0.66 2h6fB1 ILE 716 HD13 -0.02 -0.03 -0.16 -0.04 0.88 0.63 2h6fB1 ILE 717 H 0.07 0.15 -0.08 -0.55 8.25 7.83 2h6fB1 ILE 717 HA 0.07 0.01 0.50 -0.75 4.18 4.01 2h6fB1 ILE 717 HB 0.11 0.03 0.02 -0.04 1.89 2.02 2h6fB1 ILE 717 HG12 0.38 -0.03 -0.15 -0.04 1.49 1.64 2h6fB1 ILE 717 HG13 0.14 0.05 -0.30 -0.04 1.21 1.06 2h6fB1 ILE 717 HG23 0.21 -0.02 -0.22 -0.04 0.93 0.86 2h6fB1 ILE 717 HD13 0.13 0.02 -0.10 -0.04 0.88 0.88 2h6fB1 THR 718 H -0.04 0.08 0.22 -0.55 8.28 7.98 2h6fB1 THR 718 HA -0.25 0.27 0.78 -0.75 4.39 4.44 2h6fB1 THR 718 HB -0.66 -0.02 0.10 -0.04 4.32 3.71 2h6fB1 THR 718 HG23 -0.32 0.08 -0.12 -0.04 1.22 0.82 2h6fB1 PRO 719 HA 0.03 0.13 0.40 -0.51 4.44 4.49 2h6fB1 PRO 719 HB2 0.04 0.03 -0.00 -0.04 2.28 2.31 2h6fB1 PRO 719 HB3 0.08 0.07 0.09 -0.04 2.02 2.22 2h6fB1 PRO 719 HG2 -0.06 -0.03 0.07 -0.04 2.03 1.98 2h6fB1 PRO 719 HG3 0.20 0.08 0.07 -0.04 2.03 2.34 2h6fB1 PRO 719 HD2 -0.82 0.10 0.21 -0.04 3.68 3.12 2h6fB1 PRO 719 HD3 0.04 0.20 0.15 -0.04 3.65 4.00 2h6fB1 ASP 720 H -0.13 0.09 -0.25 -0.55 8.40 7.56 2h6fB1 ASP 720 HA -0.07 0.17 0.72 -0.75 4.63 4.69 2h6fB1 ASP 720 HB2 -0.15 0.05 0.03 -0.04 2.71 2.60 2h6fB1 ASP 720 HB3 -0.07 -0.00 0.01 -0.04 2.70 2.60 2h6fB1 LEU 721 H -0.17 0.09 -0.23 -0.55 8.37 7.52 2h6fB1 LEU 721 HA -0.52 0.08 0.30 -0.75 4.35 3.46 2h6fB1 LEU 721 HB2 -0.14 -0.03 0.14 -0.04 1.64 1.56 2h6fB1 LEU 721 HB3 -0.30 0.06 0.12 -0.04 1.64 1.48 2h6fB1 LEU 721 HG -1.55 0.01 -0.31 -0.04 1.64 -0.25 2h6fB1 LEU 721 HD13 -0.19 0.01 -0.05 -0.04 0.93 0.67 2h6fB1 LEU 721 HD23 -0.21 0.02 -0.05 -0.04 0.89 0.61 2h6fB1 PHE 722 H -0.00 0.17 -0.31 -0.55 8.34 7.65 2h6fB1 PHE 722 HA 0.09 0.31 0.88 -0.75 4.62 5.14 2h6fB1 PHE 722 HB2 0.04 0.06 0.01 -0.04 3.15 3.22 2h6fB1 PHE 722 HB3 0.07 -0.12 0.14 -0.04 3.06 3.11 2h6fB1 PHE 722 HD2 0.14 0.03 -0.06 -0.04 7.28 7.35 2h6fB1 PHE 722 HE2 -0.18 -0.01 -0.12 -0.04 7.38 7.03 2h6fB1 PHE 722 HZ -0.12 0.05 -0.50 -0.04 7.32 6.71 2h6fB1 GLU 723 H -0.06 0.51 -0.39 -0.55 8.60 8.12 2h6fB1 GLU 723 HA 0.03 -0.03 0.44 -0.75 4.29 3.98 2h6fB1 GLU 723 HB2 -0.04 0.01 0.17 -0.04 2.09 2.19 2h6fB1 GLU 723 HB3 -0.09 0.12 0.15 -0.04 1.99 2.13 2h6fB1 GLU 723 HG2 -0.02 0.01 -0.24 -0.04 2.34 2.04 2h6fB1 GLU 723 HG3 -0.01 -0.04 0.04 -0.04 2.34 2.28 2h6fB1 GLY 724 H 0.04 0.10 0.22 -0.55 8.43 8.25 2h6fB1 GLY 724 HA2 0.05 -0.06 0.37 -0.51 4.01 3.86 2h6fB1 GLY 724 HA3 0.02 0.22 0.42 -0.51 4.01 4.15 2h6fB1 THR 725 H 0.12 0.56 -0.54 -0.55 8.28 7.88 2h6fB1 THR 725 HA 0.19 0.13 0.40 -0.75 4.39 4.35 2h6fB1 THR 725 HB 0.27 0.00 0.12 -0.04 4.32 4.66 2h6fB1 THR 725 HG23 0.29 -0.02 -0.08 -0.04 1.22 1.37 2h6fB1 ALA 726 H 0.11 0.20 -0.05 -0.55 8.40 8.12 2h6fB1 ALA 726 HA 0.07 0.06 0.36 -0.75 4.34 4.09 2h6fB1 ALA 726 HB3 0.04 0.03 0.05 -0.04 1.41 1.49 2h6fB1 GLU 727 H 0.09 0.09 -0.33 -0.55 8.60 7.90 2h6fB1 GLU 727 HA 0.03 0.07 0.40 -0.75 4.29 4.03 2h6fB1 GLU 727 HB2 0.08 0.17 0.10 -0.04 2.09 2.40 2h6fB1 GLU 727 HB3 0.04 0.01 0.00 -0.04 1.99 2.00 2h6fB1 GLU 727 HG2 0.03 0.02 0.03 -0.04 2.34 2.38 2h6fB1 GLU 727 HG3 0.02 0.02 0.02 -0.04 2.34 2.37 2h6fB1 TRP 728 H 0.27 0.46 -0.17 -0.55 7.97 7.98 2h6fB1 TRP 728 HA -0.02 0.02 0.45 -0.75 4.62 4.32 2h6fB1 TRP 728 HB2 -0.01 0.31 0.15 -0.04 3.23 3.64 2h6fB1 TRP 728 HB3 0.02 0.08 0.03 -0.04 3.23 3.32 2h6fB1 TRP 728 HD1 -0.03 0.10 0.00 -0.04 7.22 7.26 2h6fB1 TRP 728 HE1 -0.03 -0.02 -0.03 -0.04 10.20 10.07 2h6fB1 TRP 728 HE3 0.02 0.11 -0.26 -0.04 7.59 7.42 2h6fB1 TRP 728 HZ2 -0.04 -0.00 -0.04 -0.04 7.44 7.31 2h6fB1 TRP 728 HZ3 0.00 -0.09 -0.10 -0.04 7.13 6.90 2h6fB1 TRP 728 HH2 -0.06 -0.04 -0.05 -0.04 7.19 7.00 2h6fB1 ILE 729 H 0.26 0.61 -0.13 -0.55 8.25 8.43 2h6fB1 ILE 729 HA -0.09 -0.03 0.36 -0.75 4.18 3.67 2h6fB1 ILE 729 HB 0.07 0.14 0.11 -0.04 1.89 2.17 2h6fB1 ILE 729 HG12 0.31 -0.12 0.01 -0.04 1.49 1.65 2h6fB1 ILE 729 HG13 0.37 0.20 0.04 -0.04 1.21 1.79 2h6fB1 ILE 729 HG23 -0.01 0.01 -0.13 -0.04 0.93 0.76 2h6fB1 ILE 729 HD13 0.10 -0.00 -0.10 -0.04 0.88 0.84 2h6fB1 ALA 730 H -0.03 0.53 -0.21 -0.55 8.40 8.14 2h6fB1 ALA 730 HA -0.09 -0.04 0.32 -0.75 4.34 3.77 2h6fB1 ALA 730 HB3 -0.04 0.04 0.06 -0.04 1.41 1.43 2h6fB1 ARG 731 H -0.21 0.41 -0.37 -0.55 8.46 7.74 2h6fB1 ARG 731 HA -0.16 0.03 0.45 -0.75 4.34 3.90 2h6fB1 ARG 731 HB2 -0.46 0.23 0.16 -0.04 1.90 1.79 2h6fB1 ARG 731 HB3 -0.28 -0.14 0.09 -0.04 1.80 1.43 2h6fB1 ARG 731 HG2 -0.10 -0.07 0.06 -0.04 1.67 1.52 2h6fB1 ARG 731 HG3 -0.11 0.22 0.09 -0.04 1.67 1.83 2h6fB1 ARG 731 HD2 -0.03 -0.04 -0.00 -0.04 3.22 3.10 2h6fB1 ARG 731 HD3 -0.09 0.02 0.02 -0.04 3.22 3.13 2h6fB1 CYS 732 H -0.38 0.46 -0.52 -0.55 8.50 7.51 2h6fB1 CYS 732 HA -0.35 -0.08 0.36 -0.75 4.58 3.75 2h6fB1 CYS 732 HB2 -0.32 0.25 0.08 -0.04 2.97 2.94 2h6fB1 CYS 732 HB3 -0.31 -0.01 -0.04 -0.04 2.97 2.58 2h6fB1 GLN 733 H -0.20 0.42 -0.25 -0.55 8.47 7.90 2h6fB1 GLN 733 HA -0.25 0.06 0.60 -0.75 4.36 4.02 2h6fB1 GLN 733 HB2 -0.15 -0.08 0.06 -0.04 2.15 1.94 2h6fB1 GLN 733 HB3 -0.13 0.16 0.15 -0.04 2.02 2.16 2h6fB1 GLN 733 HG2 -0.15 0.03 -0.19 -0.04 2.40 2.05 2h6fB1 GLN 733 HG3 -0.22 0.15 -0.14 -0.04 2.39 2.14 2h6fB1 GLN 733 HE21 -0.05 0.20 0.15 -0.04 6.97 7.22 2h6fB1 GLN 733 HE22 -0.12 0.50 0.11 -0.04 7.69 8.14 2h6fB1 ASN 734 H -0.33 0.35 0.20 -0.55 8.53 8.20 2h6fB1 ASN 734 HA -0.09 0.33 0.94 -0.75 4.76 5.19 2h6fB1 ASN 734 HB2 -0.05 -0.06 0.11 -0.04 2.88 2.84 2h6fB1 ASN 734 HB3 -0.20 0.21 -0.10 -0.04 2.79 2.66 2h6fB1 ASN 734 HD21 -0.71 -0.19 0.03 -0.04 7.03 6.12 2h6fB1 ASN 734 HD22 -0.22 0.18 -0.11 -0.04 7.74 7.55 2h6fB1 TRP 735 H 0.18 0.18 0.13 -0.55 7.97 7.91 2h6fB1 TRP 735 HA -0.05 0.13 0.35 -0.75 4.62 4.29 2h6fB1 TRP 735 HB2 -0.02 0.04 0.07 -0.04 3.23 3.28 2h6fB1 TRP 735 HB3 -0.03 0.04 0.13 -0.04 3.23 3.32 2h6fB1 TRP 735 HD1 -0.05 0.05 0.08 -0.04 7.22 7.26 2h6fB1 TRP 735 HE1 -0.02 0.04 -0.01 -0.04 10.20 10.17 2h6fB1 TRP 735 HE3 0.01 0.04 -0.23 -0.04 7.59 7.38 2h6fB1 TRP 735 HZ2 0.02 -0.01 -0.00 -0.04 7.44 7.41 2h6fB1 TRP 735 HZ3 0.04 0.03 -0.04 -0.04 7.13 7.12 2h6fB1 TRP 735 HH2 0.04 0.00 -0.01 -0.04 7.19 7.18 2h6fB1 GLU 736 H -1.05 -0.02 -0.39 -0.55 8.60 6.59 2h6fB1 GLU 736 HA -0.38 0.16 0.50 -0.75 4.29 3.81 2h6fB1 GLU 736 HB2 -0.87 -0.11 0.02 -0.04 2.09 1.09 2h6fB1 GLU 736 HB3 -0.36 0.05 0.06 -0.04 1.99 1.70 2h6fB1 GLU 736 HG2 -1.87 0.08 0.01 -0.04 2.34 0.52 2h6fB1 GLU 736 HG3 -2.66 -0.04 0.02 -0.04 2.34 -0.38 2h6fB1 GLY 737 H -0.38 0.40 -0.24 -0.55 8.43 7.68 2h6fB1 GLY 737 HA2 -0.13 0.00 0.18 -0.51 4.01 3.55 2h6fB1 GLY 737 HA3 -0.05 0.35 0.63 -0.51 4.01 4.43 2h6fB1 GLY 738 H -1.18 -0.04 -0.35 -0.55 8.43 6.32 2h6fB1 GLY 738 HA2 -0.82 0.19 0.55 -0.51 4.01 3.42 2h6fB1 GLY 738 HA3 -2.46 -0.04 0.23 -0.51 4.01 1.23 2h6fB1 ILE 739 H -0.60 0.13 0.14 -0.55 8.25 7.37 2h6fB1 ILE 739 HA -0.30 0.33 0.86 -0.75 4.18 4.32 2h6fB1 ILE 739 HB -0.13 -0.14 -0.05 -0.04 1.89 1.53 2h6fB1 ILE 739 HG12 -0.19 0.10 -0.23 -0.04 1.49 1.13 2h6fB1 ILE 739 HG13 -0.23 -0.10 -0.34 -0.04 1.21 0.50 2h6fB1 ILE 739 HG23 -0.13 0.03 -0.28 -0.04 0.93 0.50 2h6fB1 ILE 739 HD13 -0.09 0.02 -0.07 -0.04 0.88 0.69 2h6fB1 GLY 740 H -0.23 0.75 0.13 -0.55 8.43 8.53 2h6fB1 GLY 740 HA2 -0.06 0.16 0.74 -0.51 4.01 4.34 2h6fB1 GLY 740 HA3 -0.16 0.16 0.10 -0.51 4.01 3.60 2h6fB1 GLY 741 H -0.35 0.14 0.13 -0.55 8.43 7.81 2h6fB1 GLY 741 HA2 -1.05 -0.06 0.42 -0.51 4.01 2.81 2h6fB1 GLY 741 HA3 -0.96 0.02 0.37 -0.51 4.01 2.94 2h6fB1 VAL 742 H -0.22 0.16 -0.09 -0.55 8.24 7.54 2h6fB1 VAL 742 HA -0.20 0.18 0.63 -0.75 4.13 3.97 2h6fB1 VAL 742 HB 0.05 0.12 0.07 -0.04 2.12 2.31 2h6fB1 VAL 742 HG13 0.15 -0.05 -0.12 -0.04 0.97 0.91 2h6fB1 VAL 742 HG23 -0.05 -0.02 -0.11 -0.04 0.95 0.72 2h6fB1 PRO 743 HA -0.25 0.19 0.41 -0.51 4.44 4.27 2h6fB1 PRO 743 HB2 -0.14 -0.04 0.06 -0.04 2.28 2.12 2h6fB1 PRO 743 HB3 -0.21 0.15 0.03 -0.04 2.02 1.95 2h6fB1 PRO 743 HG2 -0.44 0.03 0.03 -0.04 2.03 1.61 2h6fB1 PRO 743 HG3 -0.71 0.11 -0.19 -0.04 2.03 1.20 2h6fB1 PRO 743 HD2 -0.10 0.07 0.14 -0.04 3.68 3.75 2h6fB1 PRO 743 HD3 -0.85 0.11 0.11 -0.04 3.65 2.98 2h6fB1 GLY 744 H -0.11 0.27 0.17 -0.55 8.43 8.21 2h6fB1 GLY 744 HA2 -0.01 -0.01 0.37 -0.51 4.01 3.85 2h6fB1 GLY 744 HA3 -0.03 0.15 0.73 -0.51 4.01 4.35 2h6fB1 MET 745 H -0.09 0.49 -0.22 -0.55 8.47 8.10 2h6fB1 MET 745 HA 0.00 0.14 0.64 -0.75 4.52 4.55 2h6fB1 MET 745 HB2 -0.11 0.02 0.12 -0.04 2.15 2.14 2h6fB1 MET 745 HB3 -0.06 -0.03 0.09 -0.04 2.03 1.99 2h6fB1 MET 745 HG2 -0.03 0.09 -0.08 -0.04 2.63 2.57 2h6fB1 MET 745 HG3 -0.04 -0.05 0.03 -0.04 2.56 2.46 2h6fB1 MET 745 HE3 0.03 -0.03 0.07 -0.04 2.10 2.13 2h6fB1 GLU 746 H 0.02 0.08 0.15 -0.55 8.60 8.31 2h6fB1 GLU 746 HA -0.06 0.02 0.40 -0.75 4.29 3.90 2h6fB1 GLU 746 HB2 0.08 0.03 0.14 -0.04 2.09 2.30 2h6fB1 GLU 746 HB3 0.07 -0.05 0.09 -0.04 1.99 2.06 2h6fB1 GLU 746 HG2 0.06 0.23 -0.17 -0.04 2.34 2.42 2h6fB1 GLU 746 HG3 0.04 -0.04 0.07 -0.04 2.34 2.36 2h6fB1 ALA 747 H -0.29 0.05 0.09 -0.55 8.40 7.71 2h6fB1 ALA 747 HA -0.36 0.13 -0.06 -0.75 4.34 3.29 2h6fB1 ALA 747 HB3 -0.97 -0.02 -0.04 -0.04 1.41 0.34 2h6fB1 HIS 748 H -0.04 0.62 0.27 -0.55 8.41 8.72 2h6fB1 HIS 748 HA 0.19 0.34 0.92 -0.75 4.63 5.32 2h6fB1 HIS 748 HB2 0.13 0.14 -0.19 -0.04 3.26 3.30 2h6fB1 HIS 748 HB3 0.25 -0.06 0.15 -0.04 3.20 3.50 2h6fB1 HIS 748 HD2 0.06 0.07 -0.05 -0.04 6.97 7.00 2h6fB1 HIS 748 HE1 -0.14 0.03 0.02 -0.04 7.75 7.62 2h6fB1 GLY 749 H -0.19 0.70 0.32 -0.55 8.43 8.71 2h6fB1 GLY 749 HA2 0.39 0.11 0.33 -0.51 4.01 4.33 2h6fB1 GLY 749 HA3 0.10 0.07 0.32 -0.51 4.01 3.99 2h6fB1 GLY 750 H 0.23 0.09 -0.11 -0.55 8.43 8.09 2h6fB1 GLY 750 HA2 -0.44 0.12 0.45 -0.51 4.01 3.63 2h6fB1 GLY 750 HA3 -0.48 0.04 0.27 -0.51 4.01 3.33 2h6fB1 TYR 751 H 0.09 0.09 -0.17 -0.55 8.29 7.74 2h6fB1 TYR 751 HA -0.04 0.02 0.37 -0.75 4.56 4.16 2h6fB1 TYR 751 HB2 -0.01 0.18 -0.00 -0.04 3.06 3.18 2h6fB1 TYR 751 HB3 -0.05 0.12 -0.35 -0.04 2.98 2.66 2h6fB1 TYR 751 HD2 -0.13 0.04 -0.01 -0.04 7.15 7.00 2h6fB1 TYR 751 HE2 -0.17 0.01 -0.00 -0.04 6.85 6.65 2h6fB1 THR 752 H 0.17 0.52 -0.18 -0.55 8.28 8.24 2h6fB1 THR 752 HA -0.03 0.02 0.45 -0.75 4.39 4.08 2h6fB1 THR 752 HB 0.22 0.13 0.10 -0.04 4.32 4.73 2h6fB1 THR 752 HG23 0.04 0.01 -0.03 -0.04 1.22 1.20 2h6fB1 PHE 753 H 0.24 0.50 -0.12 -0.55 8.34 8.40 2h6fB1 PHE 753 HA -0.01 0.05 0.43 -0.75 4.62 4.34 2h6fB1 PHE 753 HB2 0.18 0.27 0.23 -0.04 3.15 3.79 2h6fB1 PHE 753 HB3 0.19 0.01 0.19 -0.04 3.06 3.40 2h6fB1 PHE 753 HD2 -0.04 -0.02 -0.15 -0.04 7.28 7.04 2h6fB1 PHE 753 HE2 -0.11 0.10 -0.07 -0.04 7.38 7.26 2h6fB1 PHE 753 HZ 0.33 0.15 -0.15 -0.04 7.32 7.61 2h6fB1 CYS 754 H 0.07 0.40 -0.21 -0.55 8.50 8.21 2h6fB1 CYS 754 HA -0.53 0.05 0.34 -0.75 4.58 3.69 2h6fB1 CYS 754 HB2 0.10 0.06 0.04 -0.04 2.97 3.13 2h6fB1 CYS 754 HB3 0.13 0.05 -0.12 -0.04 2.97 2.99 2h6fB1 GLY 755 H -0.01 0.55 -0.22 -0.55 8.43 8.20 2h6fB1 GLY 755 HA2 0.02 -0.01 0.36 -0.51 4.01 3.88 2h6fB1 GLY 755 HA3 -0.03 0.07 0.27 -0.51 4.01 3.80 2h6fB1 LEU 756 H -0.13 0.67 -0.04 -0.55 8.37 8.33 2h6fB1 LEU 756 HA -0.08 0.01 0.40 -0.75 4.35 3.93 2h6fB1 LEU 756 HB2 -0.07 -0.02 0.08 -0.04 1.64 1.59 2h6fB1 LEU 756 HB3 -0.16 0.10 0.11 -0.04 1.64 1.65 2h6fB1 LEU 756 HG -0.10 -0.00 -0.22 -0.04 1.64 1.28 2h6fB1 LEU 756 HD13 -0.04 -0.02 -0.01 -0.04 0.93 0.83 2h6fB1 LEU 756 HD23 -0.03 -0.01 -0.07 -0.04 0.89 0.74 2h6fB1 ALA 757 H -0.46 0.72 -0.08 -0.55 8.40 8.03 2h6fB1 ALA 757 HA -0.23 -0.02 0.40 -0.75 4.34 3.74 2h6fB1 ALA 757 HB3 -0.74 0.03 0.11 -0.04 1.41 0.77 2h6fB1 ALA 758 H -0.08 0.55 -0.25 -0.55 8.40 8.08 2h6fB1 ALA 758 HA 0.01 0.03 0.38 -0.75 4.34 4.00 2h6fB1 ALA 758 HB3 0.04 0.01 -0.03 -0.04 1.41 1.40 2h6fB1 LEU 759 H -0.05 0.55 -0.20 -0.55 8.37 8.12 2h6fB1 LEU 759 HA -0.04 0.00 0.32 -0.75 4.35 3.88 2h6fB1 LEU 759 HB2 -0.04 0.14 0.08 -0.04 1.64 1.77 2h6fB1 LEU 759 HB3 -0.02 -0.15 -0.34 -0.04 1.64 1.08 2h6fB1 LEU 759 HG -0.01 0.14 0.00 -0.04 1.64 1.73 2h6fB1 LEU 759 HD13 -0.03 -0.01 -0.15 -0.04 0.93 0.71 2h6fB1 LEU 759 HD23 0.01 0.03 -0.04 -0.04 0.89 0.85 2h6fB1 VAL 760 H -0.06 0.61 -0.24 -0.55 8.24 7.99 2h6fB1 VAL 760 HA -0.01 -0.08 0.43 -0.75 4.13 3.72 2h6fB1 VAL 760 HB -0.05 0.16 0.15 -0.04 2.12 2.35 2h6fB1 VAL 760 HG13 0.03 -0.01 -0.11 -0.04 0.97 0.84 2h6fB1 VAL 760 HG23 -0.03 0.04 0.01 -0.04 0.95 0.93 2h6fB1 ILE 761 H -0.06 0.49 -0.20 -0.55 8.25 7.94 2h6fB1 ILE 761 HA 0.00 0.02 0.38 -0.75 4.18 3.84 2h6fB1 ILE 761 HB -0.11 0.13 0.12 -0.04 1.89 1.99 2h6fB1 ILE 761 HG12 -0.08 -0.06 -0.04 -0.04 1.49 1.27 2h6fB1 ILE 761 HG13 -0.10 0.13 0.04 -0.04 1.21 1.24 2h6fB1 ILE 761 HG23 -0.05 0.01 -0.13 -0.04 0.93 0.73 2h6fB1 ILE 761 HD13 -0.11 -0.00 -0.26 -0.04 0.88 0.47 2h6fB1 LEU 762 H -0.08 0.37 -0.26 -0.55 8.37 7.85 2h6fB1 LEU 762 HA -0.06 0.11 0.50 -0.75 4.35 4.14 2h6fB1 LEU 762 HB2 -0.06 -0.04 0.04 -0.04 1.64 1.53 2h6fB1 LEU 762 HB3 -0.04 -0.06 0.07 -0.04 1.64 1.57 2h6fB1 LEU 762 HG -0.28 0.23 -0.01 -0.04 1.64 1.54 2h6fB1 LEU 762 HD13 -0.12 -0.04 -0.09 -0.04 0.93 0.64 2h6fB1 LEU 762 HD23 -0.57 0.00 -0.07 -0.04 0.89 0.21 2h6fB1 LYS 763 H -0.01 0.31 -0.62 -0.55 8.42 7.55 2h6fB1 LYS 763 HA 0.01 -0.01 0.33 -0.75 4.32 3.91 2h6fB1 LYS 763 HB2 0.02 0.20 -0.03 -0.04 1.87 2.02 2h6fB1 LYS 763 HB3 0.02 -0.09 0.23 -0.04 1.79 1.91 2h6fB1 LYS 763 HG2 0.03 -0.02 0.03 -0.04 1.46 1.46 2h6fB1 LYS 763 HG3 0.03 0.16 -0.20 -0.04 1.46 1.40 2h6fB1 LYS 763 HD2 0.04 -0.06 0.01 -0.04 1.69 1.63 2h6fB1 LYS 763 HD3 0.04 -0.02 -0.01 -0.04 1.68 1.65 2h6fB1 LYS 763 HE2 0.04 -0.05 -0.02 -0.04 2.99 2.92 2h6fB1 LYS 763 HE3 0.04 0.08 -0.06 -0.04 2.99 3.00 2h6fB1 ARG 764 H -0.01 0.62 -0.08 -0.55 8.46 8.44 2h6fB1 ARG 764 HA 0.01 0.21 0.82 -0.75 4.34 4.62 2h6fB1 ARG 764 HB2 0.00 -0.01 -0.01 -0.04 1.90 1.84 2h6fB1 ARG 764 HB3 0.01 -0.10 0.14 -0.04 1.80 1.81 2h6fB1 ARG 764 HG2 0.01 0.35 -0.48 -0.04 1.67 1.52 2h6fB1 ARG 764 HG3 0.02 -0.12 -0.06 -0.04 1.67 1.47 2h6fB1 ARG 764 HD2 0.02 0.16 0.05 -0.04 3.22 3.41 2h6fB1 ARG 764 HD3 0.02 0.02 -0.03 -0.04 3.22 3.19 2h6fB1 GLU 765 H 0.00 0.23 -0.14 -0.55 8.60 8.14 2h6fB1 GLU 765 HA -0.01 0.06 0.28 -0.75 4.29 3.86 2h6fB1 GLU 765 HB2 0.01 0.05 -0.03 -0.04 2.09 2.08 2h6fB1 GLU 765 HB3 0.00 -0.01 -0.01 -0.04 1.99 1.93 2h6fB1 GLU 765 HG2 0.00 0.04 -0.03 -0.04 2.34 2.31 2h6fB1 GLU 765 HG3 -0.01 -0.04 -0.25 -0.04 2.34 1.99 2h6fB1 ARG 766 H 0.01 0.13 -0.37 -0.55 8.46 7.67 2h6fB1 ARG 766 HA 0.00 0.08 0.40 -0.75 4.34 4.07 2h6fB1 ARG 766 HB2 0.01 0.01 -0.02 -0.04 1.90 1.86 2h6fB1 ARG 766 HB3 0.00 0.03 0.03 -0.04 1.80 1.82 2h6fB1 ARG 766 HG2 0.01 -0.01 0.01 -0.04 1.67 1.63 2h6fB1 ARG 766 HG3 0.01 0.00 -0.02 -0.04 1.67 1.62 2h6fB1 ARG 766 HD2 0.01 0.02 -0.01 -0.04 3.22 3.20 2h6fB1 ARG 766 HD3 0.01 -0.02 0.01 -0.04 3.22 3.18 2h6fB1 SER 767 H -0.00 0.47 -0.55 -0.55 8.46 7.83 2h6fB1 SER 767 HA -0.00 0.03 0.41 -0.75 4.49 4.17 2h6fB1 SER 767 HB2 -0.01 0.08 0.02 -0.04 3.95 4.01 2h6fB1 SER 767 HB3 -0.01 -0.06 0.02 -0.04 3.93 3.84 2h6fB1 LEU 768 H -0.01 0.38 -0.35 -0.55 8.37 7.84 2h6fB1 LEU 768 HA -0.04 0.18 0.77 -0.75 4.35 4.51 2h6fB1 LEU 768 HB2 -0.02 0.06 -0.09 -0.04 1.64 1.55 2h6fB1 LEU 768 HB3 -0.04 -0.04 -0.06 -0.04 1.64 1.45 2h6fB1 LEU 768 HG -0.03 -0.01 -0.12 -0.04 1.64 1.44 2h6fB1 LEU 768 HD13 -0.05 -0.01 -0.10 -0.04 0.93 0.73 2h6fB1 LEU 768 HD23 -0.07 0.01 -0.13 -0.04 0.89 0.66 2h6fB1 ASN 769 H -0.03 0.22 0.08 -0.55 8.53 8.25 2h6fB1 ASN 769 HA -0.00 0.15 0.67 -0.75 4.76 4.82 2h6fB1 ASN 769 HB2 -0.01 0.13 0.10 -0.04 2.88 3.06 2h6fB1 ASN 769 HB3 -0.02 0.03 0.23 -0.04 2.79 2.99 2h6fB1 ASN 769 HD21 0.02 0.01 0.02 -0.04 7.03 7.03 2h6fB1 ASN 769 HD22 0.00 0.10 0.03 -0.04 7.74 7.83 2h6fB1 LEU 770 H 0.01 0.36 0.05 -0.55 8.37 8.25 2h6fB1 LEU 770 HA 0.02 0.10 0.43 -0.75 4.35 4.15 2h6fB1 LEU 770 HB2 0.02 0.02 0.04 -0.04 1.64 1.68 2h6fB1 LEU 770 HB3 0.03 -0.00 0.03 -0.04 1.64 1.67 2h6fB1 LEU 770 HG 0.01 0.18 -0.06 -0.04 1.64 1.72 2h6fB1 LEU 770 HD13 0.02 -0.00 -0.13 -0.04 0.93 0.78 2h6fB1 LEU 770 HD23 0.01 0.01 -0.10 -0.04 0.89 0.76 2h6fB1 LYS 771 H 0.02 0.11 -0.16 -0.55 8.42 7.84 2h6fB1 LYS 771 HA 0.05 0.12 0.44 -0.75 4.32 4.17 2h6fB1 LYS 771 HB2 0.03 0.05 0.08 -0.04 1.87 1.99 2h6fB1 LYS 771 HB3 0.03 -0.04 0.08 -0.04 1.79 1.82 2h6fB1 LYS 771 HG2 0.04 0.01 -0.27 -0.04 1.46 1.20 2h6fB1 LYS 771 HG3 0.04 0.02 0.00 -0.04 1.46 1.48 2h6fB1 LYS 771 HD2 0.03 0.02 -0.01 -0.04 1.69 1.69 2h6fB1 LYS 771 HD3 0.03 -0.01 -0.04 -0.04 1.68 1.62 2h6fB1 LYS 771 HE2 0.04 -0.00 -0.07 -0.04 2.99 2.91 2h6fB1 LYS 771 HE3 0.03 0.01 -0.03 -0.04 2.99 2.96 2h6fB1 SER 772 H 0.03 0.11 -0.16 -0.55 8.46 7.90 2h6fB1 SER 772 HA 0.06 0.09 0.44 -0.75 4.49 4.33 2h6fB1 SER 772 HB2 0.02 0.07 0.01 -0.04 3.95 4.01 2h6fB1 SER 772 HB3 0.03 -0.02 0.06 -0.04 3.93 3.96 2h6fB1 LEU 773 H 0.03 0.27 -0.31 -0.55 8.37 7.81 2h6fB1 LEU 773 HA 0.08 0.13 0.33 -0.75 4.35 4.14 2h6fB1 LEU 773 HB2 -0.02 0.13 0.13 -0.04 1.64 1.84 2h6fB1 LEU 773 HB3 0.04 0.00 0.14 -0.04 1.64 1.78 2h6fB1 LEU 773 HG 0.09 -0.02 -0.21 -0.04 1.64 1.46 2h6fB1 LEU 773 HD13 0.07 -0.01 0.03 -0.04 0.93 0.97 2h6fB1 LEU 773 HD23 -0.01 -0.00 -0.05 -0.04 0.89 0.79 2h6fB1 LEU 774 H 0.08 0.59 -0.12 -0.55 8.37 8.37 2h6fB1 LEU 774 HA 0.12 -0.00 0.38 -0.75 4.35 4.09 2h6fB1 LEU 774 HB2 0.09 0.03 0.13 -0.04 1.64 1.84 2h6fB1 LEU 774 HB3 0.08 0.10 0.18 -0.04 1.64 1.96 2h6fB1 LEU 774 HG 0.09 0.00 -0.22 -0.04 1.64 1.47 2h6fB1 LEU 774 HD13 0.13 -0.02 0.04 -0.04 0.93 1.04 2h6fB1 LEU 774 HD23 0.08 -0.01 -0.03 -0.04 0.89 0.90 2h6fB1 GLN 775 H 0.10 0.47 -0.18 -0.55 8.47 8.32 2h6fB1 GLN 775 HA 0.08 0.03 0.40 -0.75 4.36 4.12 2h6fB1 GLN 775 HB2 0.07 0.03 0.11 -0.04 2.15 2.32 2h6fB1 GLN 775 HB3 0.10 0.08 0.08 -0.04 2.02 2.24 2h6fB1 GLN 775 HG2 0.07 0.00 -0.07 -0.04 2.40 2.36 2h6fB1 GLN 775 HG3 0.05 -0.03 0.06 -0.04 2.39 2.44 2h6fB1 GLN 775 HE21 0.04 -0.02 -0.01 -0.04 6.97 6.94 2h6fB1 GLN 775 HE22 0.04 -0.00 -0.01 -0.04 7.69 7.68 2h6fB1 TRP 776 H 0.26 0.45 -0.31 -0.55 7.97 7.83 2h6fB1 TRP 776 HA -0.02 0.03 0.42 -0.75 4.62 4.29 2h6fB1 TRP 776 HB2 -0.07 0.31 0.14 -0.04 3.23 3.57 2h6fB1 TRP 776 HB3 -0.05 0.08 0.03 -0.04 3.23 3.25 2h6fB1 TRP 776 HD1 -0.15 0.12 -0.01 -0.04 7.22 7.13 2h6fB1 TRP 776 HE1 -0.16 -0.07 -0.06 -0.04 10.20 9.87 2h6fB1 TRP 776 HE3 -0.04 0.16 -0.14 -0.04 7.59 7.53 2h6fB1 TRP 776 HZ2 -0.12 0.12 -0.32 -0.04 7.44 7.08 2h6fB1 TRP 776 HZ3 -0.03 0.05 -0.09 -0.04 7.13 7.01 2h6fB1 TRP 776 HH2 -0.08 -0.09 -0.39 -0.04 7.19 6.59 2h6fB1 VAL 777 H 0.30 0.66 -0.05 -0.55 8.24 8.60 2h6fB1 VAL 777 HA -0.58 -0.02 0.33 -0.75 4.13 3.10 2h6fB1 VAL 777 HB 0.27 -0.03 0.05 -0.04 2.12 2.37 2h6fB1 VAL 777 HG13 0.11 0.06 -0.01 -0.04 0.97 1.09 2h6fB1 VAL 777 HG23 -0.06 -0.01 -0.09 -0.04 0.95 0.74 2h6fB1 THR 778 H 0.05 0.55 -0.17 -0.55 8.28 8.16 2h6fB1 THR 778 HA 0.13 0.01 0.41 -0.75 4.39 4.19 2h6fB1 THR 778 HB 0.08 -0.07 0.07 -0.04 4.32 4.36 2h6fB1 THR 778 HG23 0.14 0.06 0.12 -0.04 1.22 1.49 2h6fB1 SER 779 H -0.11 0.38 -0.44 -0.55 8.46 7.74 2h6fB1 SER 779 HA -0.09 0.05 0.47 -0.75 4.49 4.16 2h6fB1 SER 779 HB2 -0.21 0.17 0.14 -0.04 3.95 4.01 2h6fB1 SER 779 HB3 -0.12 -0.14 0.10 -0.04 3.93 3.72 2h6fB1 ARG 780 H -0.27 0.45 -0.53 -0.55 8.46 7.56 2h6fB1 ARG 780 HA -0.29 0.00 0.48 -0.75 4.34 3.78 2h6fB1 ARG 780 HB2 -0.16 0.17 0.06 -0.04 1.90 1.94 2h6fB1 ARG 780 HB3 -0.25 -0.03 0.08 -0.04 1.80 1.55 2h6fB1 ARG 780 HG2 -1.18 0.38 -0.04 -0.04 1.67 0.79 2h6fB1 ARG 780 HG3 -1.54 -0.10 -0.11 -0.04 1.67 -0.13 2h6fB1 ARG 780 HD2 -1.12 -0.09 -0.23 -0.04 3.22 1.73 2h6fB1 ARG 780 HD3 -0.51 -0.06 -0.42 -0.04 3.22 2.20 2h6fB1 GLN 781 H -0.26 0.39 -0.36 -0.55 8.47 7.69 2h6fB1 GLN 781 HA -1.12 0.07 0.62 -0.75 4.36 3.17 2h6fB1 GLN 781 HB2 -0.99 -0.04 0.03 -0.04 2.15 1.10 2h6fB1 GLN 781 HB3 -0.31 0.06 0.06 -0.04 2.02 1.79 2h6fB1 GLN 781 HG2 -0.30 0.00 -0.29 -0.04 2.40 1.76 2h6fB1 GLN 781 HG3 -0.83 0.14 -0.19 -0.04 2.39 1.46 2h6fB1 GLN 781 HE21 0.31 0.17 0.11 -0.04 6.97 7.51 2h6fB1 GLN 781 HE22 -0.04 0.55 0.05 -0.04 7.69 8.21 2h6fB1 MET 782 H -0.35 0.72 0.19 -0.55 8.47 8.49 2h6fB1 MET 782 HA -0.12 0.09 0.48 -0.75 4.52 4.22 2h6fB1 MET 782 HB2 -0.14 -0.19 0.09 -0.04 2.15 1.87 2h6fB1 MET 782 HB3 -0.05 -0.10 0.03 -0.04 2.03 1.87 2h6fB1 MET 782 HG2 -0.20 0.20 -0.13 -0.04 2.63 2.45 2h6fB1 MET 782 HG3 -0.14 -0.13 -0.12 -0.04 2.56 2.13 2h6fB1 MET 782 HE3 -0.05 -0.04 -0.00 -0.04 2.10 1.97 2h6fB1 ARG 783 H -0.04 0.19 0.18 -0.55 8.46 8.23 2h6fB1 ARG 783 HA 0.01 0.09 0.28 -0.75 4.34 3.97 2h6fB1 ARG 783 HB2 0.00 0.03 0.06 -0.04 1.90 1.95 2h6fB1 ARG 783 HB3 -0.01 0.04 0.13 -0.04 1.80 1.92 2h6fB1 ARG 783 HG2 -0.00 -0.14 0.13 -0.04 1.67 1.62 2h6fB1 ARG 783 HG3 0.03 0.16 -0.01 -0.04 1.67 1.81 2h6fB1 ARG 783 HD2 -0.01 0.06 -0.01 -0.04 3.22 3.22 2h6fB1 ARG 783 HD3 -0.01 0.01 0.02 -0.04 3.22 3.19 2h6fB1 PHE 784 H 0.13 -0.07 -0.21 -0.55 8.34 7.63 2h6fB1 PHE 784 HA -0.14 0.27 0.74 -0.75 4.62 4.74 2h6fB1 PHE 784 HB2 -0.07 0.24 -0.12 -0.04 3.15 3.16 2h6fB1 PHE 784 HB3 -0.00 -0.17 0.06 -0.04 3.06 2.90 2h6fB1 PHE 784 HD2 -0.10 -0.02 -0.15 -0.04 7.28 6.97 2h6fB1 PHE 784 HE2 0.06 0.01 -0.08 -0.04 7.38 7.33 2h6fB1 PHE 784 HZ 0.18 -0.01 -0.03 -0.04 7.32 7.42 2h6fB1 GLU 785 H 0.13 -0.06 -0.05 -0.55 8.60 8.08 2h6fB1 GLU 785 HA 0.09 0.17 0.40 -0.75 4.29 4.19 2h6fB1 GLU 785 HB2 -0.16 -0.06 0.05 -0.04 2.09 1.87 2h6fB1 GLU 785 HB3 -0.21 0.02 0.03 -0.04 1.99 1.79 2h6fB1 GLU 785 HG2 0.03 0.01 -0.01 -0.04 2.34 2.33 2h6fB1 GLU 785 HG3 0.21 0.07 -0.03 -0.04 2.34 2.55 2h6fB1 GLY 786 H -0.04 0.44 -0.19 -0.55 8.43 8.10 2h6fB1 GLY 786 HA2 -0.04 0.05 0.20 -0.51 4.01 3.70 2h6fB1 GLY 786 HA3 0.06 0.20 0.55 -0.51 4.01 4.31 2h6fB1 GLY 787 H -0.42 -0.03 -0.52 -0.55 8.43 6.91 2h6fB1 GLY 787 HA2 0.00 0.18 0.58 -0.51 4.01 4.27 2h6fB1 GLY 787 HA3 -0.59 -0.01 0.23 -0.51 4.01 3.13 2h6fB1 PHE 788 H 0.17 0.13 0.06 -0.55 8.34 8.15 2h6fB1 PHE 788 HA -0.12 0.34 1.06 -0.75 4.62 5.14 2h6fB1 PHE 788 HB2 -0.00 -0.10 -0.20 -0.04 3.15 2.80 2h6fB1 PHE 788 HB3 -0.10 0.13 -0.09 -0.04 3.06 2.96 2h6fB1 PHE 788 HD2 -0.15 -0.03 -0.22 -0.04 7.28 6.85 2h6fB1 PHE 788 HE2 -0.22 0.12 -0.11 -0.04 7.38 7.12 2h6fB1 PHE 788 HZ -0.30 -0.02 -0.10 -0.04 7.32 6.86 2h6fB1 GLN 789 H -0.07 0.65 0.24 -0.55 8.47 8.74 2h6fB1 GLN 789 HA -0.08 0.20 0.73 -0.75 4.36 4.46 2h6fB1 GLN 789 HB2 -0.13 -0.04 -0.11 -0.04 2.15 1.83 2h6fB1 GLN 789 HB3 -0.10 -0.02 -0.17 -0.04 2.02 1.68 2h6fB1 GLN 789 HG2 -0.18 0.28 0.11 -0.04 2.40 2.58 2h6fB1 GLN 789 HG3 -0.22 -0.12 -0.38 -0.04 2.39 1.64 2h6fB1 GLN 789 HE21 -0.07 -0.19 0.10 -0.04 6.97 6.77 2h6fB1 GLN 789 HE22 -0.08 0.37 0.06 -0.04 7.69 7.99 2h6fB1 GLY 790 H -0.46 0.21 0.12 -0.55 8.43 7.75 2h6fB1 GLY 790 HA2 -1.14 0.07 0.61 -0.51 4.01 3.03 2h6fB1 GLY 790 HA3 -1.36 -0.02 0.33 -0.51 4.01 2.46 2h6fB1 ARG 791 H -0.23 0.19 0.00 -0.55 8.46 7.87 2h6fB1 ARG 791 HA 0.07 0.20 0.69 -0.75 4.34 4.56 2h6fB1 ARG 791 HB2 -0.02 -0.08 -0.05 -0.04 1.90 1.71 2h6fB1 ARG 791 HB3 0.06 0.09 0.03 -0.04 1.80 1.94 2h6fB1 ARG 791 HG2 0.11 0.42 0.16 -0.04 1.67 2.31 2h6fB1 ARG 791 HG3 -0.12 -0.21 -0.37 -0.04 1.67 0.92 2h6fB1 ARG 791 HD2 0.10 0.04 -0.05 -0.04 3.22 3.27 2h6fB1 ARG 791 HD3 0.21 0.01 -0.11 -0.04 3.22 3.29 2h6fB1 CYS 792 H 0.10 0.14 0.08 -0.55 8.50 8.28 2h6fB1 CYS 792 HA -0.07 0.09 0.41 -0.75 4.58 4.25 2h6fB1 CYS 792 HB2 0.04 0.06 0.09 -0.04 2.97 3.12 2h6fB1 CYS 792 HB3 0.08 -0.04 0.10 -0.04 2.97 3.08 2h6fB1 ASN 793 H -0.03 0.17 0.19 -0.55 8.53 8.31 2h6fB1 ASN 793 HA -0.01 0.03 0.34 -0.75 4.76 4.37 2h6fB1 ASN 793 HB2 0.04 0.09 -0.37 -0.04 2.88 2.60 2h6fB1 ASN 793 HB3 0.02 -0.06 0.22 -0.04 2.79 2.94 2h6fB1 ASN 793 HD21 0.03 0.03 -0.02 -0.04 7.03 7.03 2h6fB1 ASN 793 HD22 0.05 0.01 -0.07 -0.04 7.74 7.69 2h6fB1 LYS 794 H -0.04 0.31 -0.15 -0.55 8.42 7.99 2h6fB1 LYS 794 HA 0.00 0.16 0.86 -0.75 4.32 4.59 2h6fB1 LYS 794 HB2 -0.05 -0.03 0.02 -0.04 1.87 1.78 2h6fB1 LYS 794 HB3 -0.01 -0.09 0.14 -0.04 1.79 1.80 2h6fB1 LYS 794 HG2 0.02 0.05 -0.04 -0.04 1.46 1.45 2h6fB1 LYS 794 HG3 0.01 0.15 -0.37 -0.04 1.46 1.21 2h6fB1 LYS 794 HD2 0.05 0.02 -0.06 -0.04 1.69 1.66 2h6fB1 LYS 794 HD3 0.01 -0.09 -0.05 -0.04 1.68 1.51 2h6fB1 LYS 794 HE2 0.04 0.03 0.01 -0.04 2.99 3.02 2h6fB1 LYS 794 HE3 0.06 -0.01 -0.01 -0.04 2.99 2.99 2h6fB1 LEU 795 H 0.01 0.08 0.12 -0.55 8.37 8.04 2h6fB1 LEU 795 HA -0.01 0.12 0.55 -0.75 4.35 4.25 2h6fB1 LEU 795 HB2 0.04 -0.01 0.06 -0.04 1.64 1.69 2h6fB1 LEU 795 HB3 0.03 0.07 0.10 -0.04 1.64 1.80 2h6fB1 LEU 795 HG 0.02 -0.07 0.03 -0.04 1.64 1.58 2h6fB1 LEU 795 HD13 0.02 0.01 -0.00 -0.04 0.93 0.92 2h6fB1 LEU 795 HD23 0.00 -0.00 -0.18 -0.04 0.89 0.67 2h6fB1 VAL 796 H -0.01 0.07 0.13 -0.55 8.24 7.88 2h6fB1 VAL 796 HA -0.04 0.16 0.24 -0.75 4.13 3.74 2h6fB1 VAL 796 HB -0.13 -0.04 0.01 -0.04 2.12 1.92 2h6fB1 VAL 796 HG13 -0.01 0.01 -0.09 -0.04 0.97 0.84 2h6fB1 VAL 796 HG23 -0.48 -0.00 -0.21 -0.04 0.95 0.21 2h6fB1 ASP 797 H 0.13 0.57 0.22 -0.55 8.40 8.78 2h6fB1 ASP 797 HA 0.19 0.20 0.60 -0.75 4.63 4.87 2h6fB1 ASP 797 HB2 0.25 0.17 -0.16 -0.04 2.71 2.92 2h6fB1 ASP 797 HB3 0.55 -0.07 0.08 -0.04 2.70 3.22 2h6fB1 GLY 798 H 0.24 0.78 0.37 -0.55 8.43 9.28 2h6fB1 GLY 798 HA2 0.34 0.04 0.41 -0.51 4.01 4.29 2h6fB1 GLY 798 HA3 0.19 0.29 0.42 -0.51 4.01 4.39 2h6fB1 CYS 799 H 0.20 0.07 -0.28 -0.55 8.50 7.94 2h6fB1 CYS 799 HA -0.15 0.12 0.31 -0.75 4.58 4.11 2h6fB1 CYS 799 HB2 -0.51 0.03 0.01 -0.04 2.97 2.46 2h6fB1 CYS 799 HB3 -0.57 -0.01 -0.01 -0.04 2.97 2.33 2h6fB1 TYR 800 H 0.10 0.46 -0.24 -0.55 8.29 8.06 2h6fB1 TYR 800 HA 0.19 -0.06 0.45 -0.75 4.56 4.39 2h6fB1 TYR 800 HB2 0.10 0.33 -0.07 -0.04 3.06 3.39 2h6fB1 TYR 800 HB3 0.05 0.01 -0.12 -0.04 2.98 2.89 2h6fB1 TYR 800 HD2 0.13 0.06 -0.05 -0.04 7.15 7.25 2h6fB1 TYR 800 HE2 -0.05 -0.06 -0.01 -0.04 6.85 6.69 2h6fB1 SER 801 H 0.07 0.45 -0.68 -0.55 8.46 7.75 2h6fB1 SER 801 HA 0.03 0.01 0.40 -0.75 4.49 4.18 2h6fB1 SER 801 HB2 0.04 0.13 0.12 -0.04 3.95 4.19 2h6fB1 SER 801 HB3 0.07 -0.01 0.04 -0.04 3.93 3.99 2h6fB1 PHE 802 H -0.11 0.34 -0.28 -0.55 8.34 7.73 2h6fB1 PHE 802 HA -0.26 0.23 0.83 -0.75 4.62 4.67 2h6fB1 PHE 802 HB2 -0.25 0.08 0.04 -0.04 3.15 2.98 2h6fB1 PHE 802 HB3 -0.66 -0.03 0.14 -0.04 3.06 2.47 2h6fB1 PHE 802 HD2 -0.99 -0.03 -0.23 -0.04 7.28 5.99 2h6fB1 PHE 802 HE2 -0.74 0.02 -0.16 -0.04 7.38 6.45 2h6fB1 PHE 802 HZ -0.11 0.12 -0.20 -0.04 7.32 7.10 2h6fB1 TRP 803 H -0.43 0.21 0.06 -0.55 7.97 7.27 2h6fB1 TRP 803 HA -0.50 0.11 0.26 -0.75 4.62 3.74 2h6fB1 TRP 803 HB2 0.12 -0.09 -0.05 -0.04 3.23 3.17 2h6fB1 TRP 803 HB3 0.06 0.06 -0.28 -0.04 3.23 3.03 2h6fB1 TRP 803 HD1 -0.59 -0.09 -0.25 -0.04 7.22 6.24 2h6fB1 TRP 803 HE1 -0.43 -0.05 -0.07 -0.04 10.20 9.61 2h6fB1 TRP 803 HE3 -0.38 0.05 -0.01 -0.04 7.59 7.20 2h6fB1 TRP 803 HZ2 -0.57 -0.03 -0.04 -0.04 7.44 6.77 2h6fB1 TRP 803 HZ3 0.06 0.09 -0.08 -0.04 7.13 7.15 2h6fB1 TRP 803 HH2 0.26 0.04 -0.06 -0.04 7.19 7.39 2h6fB1 GLN 804 H -0.11 0.36 -0.28 -0.55 8.47 7.89 2h6fB1 GLN 804 HA -0.10 0.11 0.69 -0.75 4.36 4.31 2h6fB1 GLN 804 HB2 -0.79 0.15 0.08 -0.04 2.15 1.55 2h6fB1 GLN 804 HB3 -0.54 0.05 -0.06 -0.04 2.02 1.43 2h6fB1 GLN 804 HG2 0.12 -0.22 -0.06 -0.04 2.40 2.20 2h6fB1 GLN 804 HG3 -0.04 0.15 -0.04 -0.04 2.39 2.42 2h6fB1 GLN 804 HE21 -0.36 -0.05 -0.07 -0.04 6.97 6.45 2h6fB1 GLN 804 HE22 -0.32 0.34 0.19 -0.04 7.69 7.86 2h6fB1 ALA 805 H -0.91 0.28 -0.13 -0.55 8.40 7.10 2h6fB1 ALA 805 HA -0.98 -0.00 0.30 -0.75 4.34 2.90 2h6fB1 ALA 805 HB3 -0.94 0.11 0.12 -0.04 1.41 0.66 2h6fB1 GLY 806 H -0.60 0.54 -0.39 -0.55 8.43 7.42 2h6fB1 GLY 806 HA2 -0.38 0.02 0.37 -0.51 4.01 3.51 2h6fB1 GLY 806 HA3 -0.68 0.12 0.24 -0.51 4.01 3.18 2h6fB1 LEU 807 H -0.21 0.49 -0.55 -0.55 8.37 7.55 2h6fB1 LEU 807 HA -0.04 0.02 0.46 -0.75 4.35 4.04 2h6fB1 LEU 807 HB2 -0.05 0.22 0.08 -0.04 1.64 1.85 2h6fB1 LEU 807 HB3 0.03 -0.11 -0.00 -0.04 1.64 1.51 2h6fB1 LEU 807 HG 0.10 0.25 0.11 -0.04 1.64 2.06 2h6fB1 LEU 807 HD13 0.20 -0.04 0.02 -0.04 0.93 1.06 2h6fB1 LEU 807 HD23 0.03 -0.04 -0.15 -0.04 0.89 0.70 2h6fB1 LEU 808 H -0.19 0.52 -0.24 -0.55 8.37 7.92 2h6fB1 LEU 808 HA 0.07 -0.00 0.44 -0.75 4.35 4.11 2h6fB1 LEU 808 HB2 0.06 0.30 0.11 -0.04 1.64 2.06 2h6fB1 LEU 808 HB3 0.30 -0.19 -0.02 -0.04 1.64 1.70 2h6fB1 LEU 808 HG 0.54 -0.06 -0.33 -0.04 1.64 1.75 2h6fB1 LEU 808 HD13 0.19 -0.01 -0.03 -0.04 0.93 1.03 2h6fB1 LEU 808 HD23 -0.07 -0.00 -0.10 -0.04 0.89 0.68 2h6fB1 PRO 809 HA -0.68 0.06 0.55 -0.51 4.44 3.85 2h6fB1 PRO 809 HB2 -0.39 0.05 0.06 -0.04 2.28 1.96 2h6fB1 PRO 809 HB3 -0.88 0.05 0.13 -0.04 2.02 1.28 2h6fB1 PRO 809 HG2 -0.70 0.07 0.09 -0.04 2.03 1.44 2h6fB1 PRO 809 HG3 -2.59 0.05 0.06 -0.04 2.03 -0.49 2h6fB1 PRO 809 HD2 -0.40 0.27 -0.06 -0.04 3.68 3.46 2h6fB1 PRO 809 HD3 -0.55 0.17 0.13 -0.04 3.65 3.35 2h6fB1 LEU 810 H -0.13 0.39 -0.32 -0.55 8.37 7.76 2h6fB1 LEU 810 HA -0.01 0.03 0.43 -0.75 4.35 4.05 2h6fB1 LEU 810 HB2 -0.05 0.12 0.12 -0.04 1.64 1.78 2h6fB1 LEU 810 HB3 -0.05 -0.06 -0.05 -0.04 1.64 1.44 2h6fB1 LEU 810 HG -0.05 0.25 0.04 -0.04 1.64 1.84 2h6fB1 LEU 810 HD13 -0.22 0.00 -0.10 -0.04 0.93 0.58 2h6fB1 LEU 810 HD23 -0.01 -0.02 -0.21 -0.04 0.89 0.60 2h6fB1 LEU 811 H 0.02 0.63 -0.08 -0.55 8.37 8.40 2h6fB1 LEU 811 HA 0.05 -0.01 0.45 -0.75 4.35 4.09 2h6fB1 LEU 811 HB2 0.11 0.10 0.17 -0.04 1.64 1.97 2h6fB1 LEU 811 HB3 0.10 -0.07 0.01 -0.04 1.64 1.65 2h6fB1 LEU 811 HG 0.04 0.09 0.03 -0.04 1.64 1.76 2h6fB1 LEU 811 HD13 0.09 -0.02 -0.13 -0.04 0.93 0.83 2h6fB1 LEU 811 HD23 0.05 -0.02 -0.00 -0.04 0.89 0.87 2h6fB1 HIS 812 H 0.23 0.57 -0.20 -0.55 8.41 8.46 2h6fB1 HIS 812 HA 0.21 -0.02 0.42 -0.75 4.63 4.49 2h6fB1 HIS 812 HB2 0.47 0.03 0.17 -0.04 3.26 3.89 2h6fB1 HIS 812 HB3 0.35 0.15 0.20 -0.04 3.20 3.86 2h6fB1 HIS 812 HD2 0.14 0.00 -0.19 -0.04 6.97 6.88 2h6fB1 HIS 812 HE1 0.27 0.42 0.01 -0.04 7.75 8.40 2h6fB1 ARG 813 H 0.22 0.57 -0.14 -0.55 8.46 8.56 2h6fB1 ARG 813 HA 0.21 0.01 0.43 -0.75 4.34 4.24 2h6fB1 ARG 813 HB2 0.13 0.03 0.14 -0.04 1.90 2.17 2h6fB1 ARG 813 HB3 0.09 0.13 0.20 -0.04 1.80 2.17 2h6fB1 ARG 813 HG2 0.08 -0.01 -0.02 -0.04 1.67 1.68 2h6fB1 ARG 813 HG3 0.09 -0.02 -0.29 -0.04 1.67 1.41 2h6fB1 ARG 813 HD2 0.11 0.01 -0.01 -0.04 3.22 3.29 2h6fB1 ARG 813 HD3 0.17 -0.04 0.07 -0.04 3.22 3.37 2h6fB1 ALA 814 H 0.08 0.55 -0.15 -0.55 8.40 8.33 2h6fB1 ALA 814 HA 0.05 0.01 0.39 -0.75 4.34 4.03 2h6fB1 ALA 814 HB3 0.03 0.01 0.08 -0.04 1.41 1.49 2h6fB1 LEU 815 H 0.05 0.69 -0.09 -0.55 8.37 8.48 2h6fB1 LEU 815 HA 0.02 0.01 0.48 -0.75 4.35 4.11 2h6fB1 LEU 815 HB2 0.00 0.14 0.15 -0.04 1.64 1.90 2h6fB1 LEU 815 HB3 0.02 -0.10 0.05 -0.04 1.64 1.56 2h6fB1 LEU 815 HG 0.05 0.12 0.08 -0.04 1.64 1.85 2h6fB1 LEU 815 HD13 0.06 -0.02 -0.06 -0.04 0.93 0.88 2h6fB1 LEU 815 HD23 0.03 -0.03 -0.03 -0.04 0.89 0.82 2h6fB1 HIS 816 H 0.08 0.63 -0.15 -0.55 8.41 8.42 2h6fB1 HIS 816 HA -0.04 0.01 0.45 -0.75 4.63 4.29 2h6fB1 HIS 816 HB2 -0.14 0.05 0.12 -0.04 3.26 3.25 2h6fB1 HIS 816 HB3 0.02 0.10 0.17 -0.04 3.20 3.45 2h6fB1 HIS 816 HD2 0.06 0.01 -0.08 -0.04 6.97 6.92 2h6fB1 HIS 816 HE1 0.05 -0.01 -0.03 -0.04 7.75 7.72 2h6fB1 ALA 817 H 0.05 0.48 -0.25 -0.55 8.40 8.14 2h6fB1 ALA 817 HA -0.09 0.03 0.46 -0.75 4.34 4.00 2h6fB1 ALA 817 HB3 0.03 0.03 0.11 -0.04 1.41 1.53 2h6fB1 GLN 818 H -0.02 0.25 -0.49 -0.55 8.47 7.66 2h6fB1 GLN 818 HA -0.02 0.11 0.63 -0.75 4.36 4.32 2h6fB1 GLN 818 HB2 -0.00 0.10 0.16 -0.04 2.15 2.37 2h6fB1 GLN 818 HB3 -0.00 -0.07 0.11 -0.04 2.02 2.01 2h6fB1 GLN 818 HG2 0.00 -0.02 0.02 -0.04 2.40 2.36 2h6fB1 GLN 818 HG3 0.01 0.09 -0.02 -0.04 2.39 2.43 2h6fB1 GLN 818 HE21 0.01 -0.08 -0.00 -0.04 6.97 6.86 2h6fB1 GLN 818 HE22 0.01 0.02 0.02 -0.04 7.69 7.69 2h6fB1 GLY 819 H -0.10 0.35 -0.42 -0.55 8.43 7.71 2h6fB1 GLY 819 HA2 -0.09 0.06 0.24 -0.51 4.01 3.71 2h6fB1 GLY 819 HA3 -0.04 0.06 0.51 -0.51 4.01 4.03 2h6fB1 ASP 820 H -0.01 0.38 -0.04 -0.55 8.40 8.18 2h6fB1 ASP 820 HA 0.01 0.06 0.36 -0.75 4.63 4.31 2h6fB1 ASP 820 HB2 0.01 0.12 0.08 -0.04 2.71 2.87 2h6fB1 ASP 820 HB3 0.02 -0.04 0.02 -0.04 2.70 2.67 2h6fB1 PRO 821 HA 0.03 0.15 0.48 -0.51 4.44 4.59 2h6fB1 PRO 821 HB2 0.02 -0.02 0.08 -0.04 2.28 2.32 2h6fB1 PRO 821 HB3 0.01 0.07 0.14 -0.04 2.02 2.20 2h6fB1 PRO 821 HG2 0.02 -0.03 0.02 -0.04 2.03 1.99 2h6fB1 PRO 821 HG3 0.01 0.02 0.08 -0.04 2.03 2.10 2h6fB1 PRO 821 HD2 0.01 -0.03 0.23 -0.04 3.68 3.85 2h6fB1 PRO 821 HD3 0.01 0.38 0.30 -0.04 3.65 4.30 2h6fB1 ALA 822 H 0.03 0.02 -0.34 -0.55 8.40 7.56 2h6fB1 ALA 822 HA 0.02 0.23 0.75 -0.75 4.34 4.58 2h6fB1 ALA 822 HB3 0.02 -0.02 0.01 -0.04 1.41 1.38 2h6fB1 LEU 823 H 0.04 0.22 -0.29 -0.55 8.37 7.80 2h6fB1 LEU 823 HA 0.07 -0.04 0.37 -0.75 4.35 3.99 2h6fB1 LEU 823 HB2 0.05 0.12 0.02 -0.04 1.64 1.79 2h6fB1 LEU 823 HB3 0.04 0.13 -0.04 -0.04 1.64 1.72 2h6fB1 LEU 823 HG 0.01 -0.09 -0.04 -0.04 1.64 1.47 2h6fB1 LEU 823 HD13 -0.24 -0.01 -0.05 -0.04 0.93 0.60 2h6fB1 LEU 823 HD23 0.03 -0.01 0.01 -0.04 0.89 0.88 2h6fB1 SER 824 H 0.13 0.05 0.17 -0.55 8.46 8.26 2h6fB1 SER 824 HA -0.01 0.10 0.47 -0.75 4.49 4.30 2h6fB1 SER 824 HB2 -0.03 0.06 0.12 -0.04 3.95 4.06 2h6fB1 SER 824 HB3 -0.02 0.21 0.16 -0.04 3.93 4.24 2h6fB1 MET 825 H -0.11 0.13 0.13 -0.55 8.47 8.07 2h6fB1 MET 825 HA 0.13 0.25 0.77 -0.75 4.52 4.91 2h6fB1 MET 825 HB2 -0.05 -0.03 0.05 -0.04 2.15 2.07 2h6fB1 MET 825 HB3 0.02 -0.01 0.15 -0.04 2.03 2.15 2h6fB1 MET 825 HG2 0.08 0.07 -0.13 -0.04 2.63 2.60 2h6fB1 MET 825 HG3 0.03 0.06 -0.12 -0.04 2.56 2.49 2h6fB1 MET 825 HE3 -0.01 -0.00 -0.01 -0.04 2.10 2.04 2h6fB1 SER 826 H -0.63 -0.13 -0.11 -0.55 8.46 7.04 2h6fB1 SER 826 HA -0.78 0.21 0.65 -0.75 4.49 3.81 2h6fB1 SER 826 HB2 -1.05 0.04 0.02 -0.04 3.95 2.92 2h6fB1 SER 826 HB3 -0.48 0.06 -0.22 -0.04 3.93 3.26 2h6fB1 HIS 827 H -0.83 -0.04 0.05 -0.55 8.41 7.05 2h6fB1 HIS 827 HA -0.77 0.27 0.89 -0.75 4.63 4.26 2h6fB1 HIS 827 HB2 -0.32 -0.08 -0.00 -0.04 3.26 2.83 2h6fB1 HIS 827 HB3 -0.30 0.14 0.10 -0.04 3.20 3.10 2h6fB1 HIS 827 HD2 -0.21 -0.02 0.05 -0.04 6.97 6.74 2h6fB1 HIS 827 HE1 -0.26 -0.01 -0.08 -0.04 7.75 7.36 2h6fB1 TRP 828 H -0.20 0.18 0.15 -0.55 7.97 7.55 2h6fB1 TRP 828 HA 0.18 0.11 0.52 -0.75 4.62 4.68 2h6fB1 TRP 828 HB2 -0.30 -0.01 0.01 -0.04 3.23 2.88 2h6fB1 TRP 828 HB3 0.30 -0.06 -0.00 -0.04 3.23 3.43 2h6fB1 TRP 828 HD1 0.05 -0.01 -0.04 -0.04 7.22 7.18 2h6fB1 TRP 828 HE1 0.15 0.59 0.12 -0.04 10.20 11.02 2h6fB1 TRP 828 HE3 0.19 -0.02 -0.08 -0.04 7.59 7.63 2h6fB1 TRP 828 HZ2 -0.07 0.16 0.18 -0.04 7.44 7.67 2h6fB1 TRP 828 HZ3 -0.37 0.01 0.03 -0.04 7.13 6.76 2h6fB1 TRP 828 HH2 -0.35 0.18 0.14 -0.04 7.19 7.12 2h6fB1 MET 829 H 0.46 0.14 0.06 -0.55 8.47 8.58 2h6fB1 MET 829 HA 0.14 0.20 0.65 -0.75 4.52 4.76 2h6fB1 MET 829 HB2 0.25 -0.02 0.17 -0.04 2.15 2.51 2h6fB1 MET 829 HB3 0.17 0.01 0.18 -0.04 2.03 2.35 2h6fB1 MET 829 HG2 0.13 0.04 -0.05 -0.04 2.63 2.71 2h6fB1 MET 829 HG3 0.26 -0.00 -0.01 -0.04 2.56 2.76 2h6fB1 MET 829 HE3 0.19 -0.00 -0.01 -0.04 2.10 2.24 2h6fB1 PHE 830 H 0.04 0.53 -0.36 -0.55 8.34 8.00 2h6fB1 PHE 830 HA 0.12 0.14 0.45 -0.75 4.62 4.58 2h6fB1 PHE 830 HB2 0.33 -0.00 0.06 -0.04 3.15 3.49 2h6fB1 PHE 830 HB3 0.25 0.06 -0.18 -0.04 3.06 3.15 2h6fB1 PHE 830 HD2 0.24 -0.03 -0.31 -0.04 7.28 7.14 2h6fB1 PHE 830 HE2 0.09 0.05 -0.11 -0.04 7.38 7.37 2h6fB1 PHE 830 HZ 0.19 0.08 -0.19 -0.04 7.32 7.36 2h6fB1 HIS 831 H 0.33 0.21 0.05 -0.55 8.41 8.46 2h6fB1 HIS 831 HA -0.14 0.12 0.66 -0.75 4.63 4.52 2h6fB1 HIS 831 HB2 -0.08 0.09 0.11 -0.04 3.26 3.35 2h6fB1 HIS 831 HB3 -0.07 -0.00 0.21 -0.04 3.20 3.30 2h6fB1 HIS 831 HD2 -0.29 0.07 -0.01 -0.04 6.97 6.70 2h6fB1 HIS 831 HE1 -0.52 0.02 0.02 -0.04 7.75 7.22 2h6fB1 GLN 832 H -0.31 0.36 0.24 -0.55 8.47 8.21 2h6fB1 GLN 832 HA 0.01 0.06 0.39 -0.75 4.36 4.06 2h6fB1 GLN 832 HB2 -0.12 -0.09 0.21 -0.04 2.15 2.11 2h6fB1 GLN 832 HB3 -0.03 0.32 0.14 -0.04 2.02 2.40 2h6fB1 GLN 832 HG2 -0.23 0.05 0.10 -0.04 2.40 2.28 2h6fB1 GLN 832 HG3 -0.74 -0.02 0.06 -0.04 2.39 1.66 2h6fB1 GLN 832 HE21 -0.18 0.01 -0.05 -0.04 6.97 6.71 2h6fB1 GLN 832 HE22 0.03 0.58 0.02 -0.04 7.69 8.27 2h6fB1 GLN 833 H -0.03 0.08 -0.06 -0.55 8.47 7.91 2h6fB1 GLN 833 HA 0.04 0.17 0.46 -0.75 4.36 4.28 2h6fB1 GLN 833 HB2 -0.02 0.07 0.11 -0.04 2.15 2.27 2h6fB1 GLN 833 HB3 0.13 -0.05 0.08 -0.04 2.02 2.13 2h6fB1 GLN 833 HG2 0.02 -0.09 -0.09 -0.04 2.40 2.20 2h6fB1 GLN 833 HG3 0.01 0.06 0.05 -0.04 2.39 2.47 2h6fB1 GLN 833 HE21 0.03 0.16 0.01 -0.04 6.97 7.13 2h6fB1 GLN 833 HE22 0.02 -0.23 0.09 -0.04 7.69 7.53 2h6fB1 ALA 834 H 0.39 0.08 -0.18 -0.55 8.40 8.14 2h6fB1 ALA 834 HA -0.05 -0.01 0.39 -0.75 4.34 3.91 2h6fB1 ALA 834 HB3 -0.39 0.04 0.08 -0.04 1.41 1.09 2h6fB1 LEU 835 H 0.22 0.43 -0.23 -0.55 8.37 8.24 2h6fB1 LEU 835 HA 0.21 0.11 0.37 -0.75 4.35 4.28 2h6fB1 LEU 835 HB2 0.45 0.04 0.10 -0.04 1.64 2.18 2h6fB1 LEU 835 HB3 0.43 0.12 0.11 -0.04 1.64 2.25 2h6fB1 LEU 835 HG 0.24 -0.01 -0.22 -0.04 1.64 1.61 2h6fB1 LEU 835 HD13 0.32 -0.04 0.07 -0.04 0.93 1.23 2h6fB1 LEU 835 HD23 0.21 0.00 0.00 -0.04 0.89 1.07 2h6fB1 GLN 836 H 0.14 0.48 -0.13 -0.55 8.47 8.41 2h6fB1 GLN 836 HA 0.08 0.00 0.43 -0.75 4.36 4.13 2h6fB1 GLN 836 HB2 0.04 0.09 0.18 -0.04 2.15 2.42 2h6fB1 GLN 836 HB3 0.02 -0.05 0.05 -0.04 2.02 2.00 2h6fB1 GLN 836 HG2 0.07 -0.03 0.06 -0.04 2.40 2.47 2h6fB1 GLN 836 HG3 0.11 0.26 0.14 -0.04 2.39 2.86 2h6fB1 GLN 836 HE21 -0.02 0.51 0.10 -0.04 6.97 7.52 2h6fB1 GLN 836 HE22 0.04 0.02 -0.18 -0.04 7.69 7.53 2h6fB1 GLU 837 H 0.04 0.51 -0.21 -0.55 8.60 8.40 2h6fB1 GLU 837 HA -0.06 0.01 0.42 -0.75 4.29 3.91 2h6fB1 GLU 837 HB2 -0.04 0.11 0.19 -0.04 2.09 2.30 2h6fB1 GLU 837 HB3 -0.17 -0.01 0.01 -0.04 1.99 1.77 2h6fB1 GLU 837 HG2 -0.11 0.03 0.02 -0.04 2.34 2.24 2h6fB1 GLU 837 HG3 -0.04 0.14 0.04 -0.04 2.34 2.44 2h6fB1 TYR 838 H 0.19 0.55 -0.14 -0.55 8.29 8.33 2h6fB1 TYR 838 HA 0.15 0.05 0.44 -0.75 4.56 4.45 2h6fB1 TYR 838 HB2 0.10 0.22 0.07 -0.04 3.06 3.40 2h6fB1 TYR 838 HB3 0.08 0.09 0.03 -0.04 2.98 3.14 2h6fB1 TYR 838 HD2 0.08 0.12 -0.03 -0.04 7.15 7.27 2h6fB1 TYR 838 HE2 0.03 -0.03 -0.05 -0.04 6.85 6.75 2h6fB1 ILE 839 H 0.11 0.61 -0.11 -0.55 8.25 8.31 2h6fB1 ILE 839 HA -0.17 -0.04 0.42 -0.75 4.18 3.63 2h6fB1 ILE 839 HB 0.04 0.10 0.14 -0.04 1.89 2.12 2h6fB1 ILE 839 HG12 0.11 -0.11 0.06 -0.04 1.49 1.51 2h6fB1 ILE 839 HG13 0.20 0.12 0.09 -0.04 1.21 1.58 2h6fB1 ILE 839 HG23 -0.02 -0.01 -0.17 -0.04 0.93 0.70 2h6fB1 ILE 839 HD13 0.10 0.03 -0.07 -0.04 0.88 0.89 2h6fB1 LEU 840 H -0.03 0.68 -0.08 -0.55 8.37 8.39 2h6fB1 LEU 840 HA -0.03 -0.00 0.33 -0.75 4.35 3.89 2h6fB1 LEU 840 HB2 -0.08 0.09 0.07 -0.04 1.64 1.68 2h6fB1 LEU 840 HB3 -0.06 -0.07 -0.10 -0.04 1.64 1.37 2h6fB1 LEU 840 HG -0.01 0.04 0.04 -0.04 1.64 1.68 2h6fB1 LEU 840 HD13 -0.01 -0.01 -0.17 -0.04 0.93 0.70 2h6fB1 LEU 840 HD23 0.01 -0.02 -0.17 -0.04 0.89 0.67 2h6fB1 MET 841 H -0.14 0.54 -0.12 -0.55 8.47 8.20 2h6fB1 MET 841 HA -0.32 0.14 0.70 -0.75 4.52 4.28 2h6fB1 MET 841 HB2 -0.06 0.15 0.11 -0.04 2.15 2.31 2h6fB1 MET 841 HB3 -0.18 -0.03 -0.05 -0.04 2.03 1.73 2h6fB1 MET 841 HG2 -1.60 0.01 -0.02 -0.04 2.63 0.97 2h6fB1 MET 841 HG3 -0.41 -0.05 0.01 -0.04 2.56 2.07 2h6fB1 MET 841 HE3 -0.28 -0.03 -0.04 -0.04 2.10 1.71 2h6fB1 CYS 842 H -0.23 0.46 -0.08 -0.55 8.50 8.11 2h6fB1 CYS 842 HA -0.09 0.23 1.06 -0.75 4.58 5.03 2h6fB1 CYS 842 HB2 -0.90 0.17 0.11 -0.04 2.97 2.32 2h6fB1 CYS 842 HB3 -0.25 -0.14 0.11 -0.04 2.97 2.64 2h6fB1 CYS 843 H -0.22 0.48 0.03 -0.55 8.50 8.24 2h6fB1 CYS 843 HA -0.14 0.17 0.88 -0.75 4.58 4.73 2h6fB1 CYS 843 HB2 -0.14 0.15 0.18 -0.04 2.97 3.11 2h6fB1 CYS 843 HB3 -0.09 -0.15 0.23 -0.04 2.97 2.92 2h6fB1 GLN 844 H -0.04 0.24 -0.25 -0.55 8.47 7.87 2h6fB1 GLN 844 HA 0.01 0.12 0.99 -0.75 4.36 4.73 2h6fB1 GLN 844 HB2 0.05 0.08 0.01 -0.04 2.15 2.26 2h6fB1 GLN 844 HB3 0.14 -0.03 -0.07 -0.04 2.02 2.02 2h6fB1 GLN 844 HG2 0.06 -0.07 -0.12 -0.04 2.40 2.23 2h6fB1 GLN 844 HG3 0.01 0.18 -0.00 -0.04 2.39 2.54 2h6fB1 GLN 844 HE21 0.06 0.36 0.21 -0.04 6.97 7.56 2h6fB1 GLN 844 HE22 0.03 0.51 0.19 -0.04 7.69 8.39 2h6fB1 CYS 845 H 0.03 0.70 0.17 -0.55 8.50 8.85 2h6fB1 CYS 845 HA -0.04 0.16 0.60 -0.75 4.58 4.54 2h6fB1 CYS 845 HB2 -0.10 -0.07 -0.15 -0.04 2.97 2.61 2h6fB1 CYS 845 HB3 -0.11 0.20 -0.20 -0.04 2.97 2.82 2h6fB1 PRO 846 HA -0.02 0.09 0.37 -0.51 4.44 4.37 2h6fB1 PRO 846 HB2 -0.02 0.02 0.01 -0.04 2.28 2.24 2h6fB1 PRO 846 HB3 -0.01 0.08 0.10 -0.04 2.02 2.16 2h6fB1 PRO 846 HG2 -0.03 -0.04 0.05 -0.04 2.03 1.97 2h6fB1 PRO 846 HG3 -0.02 0.06 0.07 -0.04 2.03 2.10 2h6fB1 PRO 846 HD2 -0.03 0.03 0.22 -0.04 3.68 3.86 2h6fB1 PRO 846 HD3 -0.01 0.27 0.19 -0.04 3.65 4.06 2h6fB1 ALA 847 H -0.06 0.06 -0.43 -0.55 8.40 7.43 2h6fB1 ALA 847 HA -0.03 0.14 0.64 -0.75 4.34 4.34 2h6fB1 ALA 847 HB3 -0.05 -0.01 0.05 -0.04 1.41 1.36 2h6fB1 GLY 848 H -0.07 0.56 -0.41 -0.55 8.43 7.97 2h6fB1 GLY 848 HA2 -0.03 -0.09 0.10 -0.51 4.01 3.48 2h6fB1 GLY 848 HA3 -0.01 0.28 0.68 -0.51 4.01 4.45 2h6fB1 GLY 849 H 0.76 0.06 0.06 -0.55 8.43 8.75 2h6fB1 GLY 849 HA2 0.06 -0.00 0.37 -0.51 4.01 3.93 2h6fB1 GLY 849 HA3 -0.55 0.14 0.69 -0.51 4.01 3.78 2h6fB1 LEU 850 H -0.07 0.08 0.18 -0.55 8.37 8.01 2h6fB1 LEU 850 HA -0.08 0.32 1.05 -0.75 4.35 4.88 2h6fB1 LEU 850 HB2 -0.12 -0.10 -0.04 -0.04 1.64 1.33 2h6fB1 LEU 850 HB3 -0.09 0.09 0.09 -0.04 1.64 1.68 2h6fB1 LEU 850 HG -0.19 0.08 -0.10 -0.04 1.64 1.40 2h6fB1 LEU 850 HD13 -0.58 -0.06 -0.15 -0.04 0.93 0.10 2h6fB1 LEU 850 HD23 -0.13 0.01 -0.16 -0.04 0.89 0.56 2h6fB1 LEU 851 H -0.08 0.66 0.21 -0.55 8.37 8.61 2h6fB1 LEU 851 HA -0.15 0.03 0.74 -0.75 4.35 4.22 2h6fB1 LEU 851 HB2 -0.14 -0.03 -0.21 -0.04 1.64 1.22 2h6fB1 LEU 851 HB3 -0.14 0.09 -0.40 -0.04 1.64 1.15 2h6fB1 LEU 851 HG -0.08 0.12 -0.42 -0.04 1.64 1.22 2h6fB1 LEU 851 HD13 -0.07 0.09 -0.32 -0.04 0.93 0.59 2h6fB1 LEU 851 HD23 -0.10 -0.01 -0.50 -0.04 0.89 0.24 2h6fB1 ASP 852 H -0.46 0.19 0.08 -0.55 8.40 7.67 2h6fB1 ASP 852 HA -0.07 -0.19 0.51 -0.75 4.63 4.13 2h6fB1 ASP 852 HB2 -0.52 -0.03 0.14 -0.04 2.71 2.26 2h6fB1 ASP 852 HB3 -0.20 0.04 0.19 -0.04 2.70 2.69 2h6fB1 LYS 853 H -0.07 0.23 0.07 -0.55 8.42 8.10 2h6fB1 LYS 853 HA 0.04 0.21 0.40 -0.75 4.32 4.22 2h6fB1 LYS 853 HB2 0.11 0.08 0.09 -0.04 1.87 2.11 2h6fB1 LYS 853 HB3 0.15 0.04 -0.20 -0.04 1.79 1.74 2h6fB1 LYS 853 HG2 0.02 -0.19 -0.14 -0.04 1.46 1.11 2h6fB1 LYS 853 HG3 0.01 0.16 -0.32 -0.04 1.46 1.28 2h6fB1 LYS 853 HD2 0.03 -0.04 -0.06 -0.04 1.69 1.59 2h6fB1 LYS 853 HD3 0.05 0.04 -0.02 -0.04 1.68 1.71 2h6fB1 LYS 853 HE2 0.05 -0.12 0.00 -0.04 2.99 2.88 2h6fB1 LYS 853 HE3 0.09 0.06 -0.06 -0.04 2.99 3.04 2h6fB1 PRO 854 HA -0.03 0.07 0.49 -0.51 4.44 4.45 2h6fB1 PRO 854 HB2 -0.01 -0.04 0.08 -0.04 2.28 2.26 2h6fB1 PRO 854 HB3 -0.02 0.07 0.10 -0.04 2.02 2.13 2h6fB1 PRO 854 HG2 -0.04 0.02 0.08 -0.04 2.03 2.05 2h6fB1 PRO 854 HG3 -0.05 0.25 0.18 -0.04 2.03 2.37 2h6fB1 PRO 854 HD2 0.04 0.03 0.19 -0.04 3.68 3.89 2h6fB1 PRO 854 HD3 -0.02 0.15 0.18 -0.04 3.65 3.91 2h6fB1 GLY 855 H -0.03 0.20 0.19 -0.55 8.43 8.24 2h6fB1 GLY 855 HA2 -0.02 -0.01 0.36 -0.51 4.01 3.83 2h6fB1 GLY 855 HA3 -0.01 0.16 0.79 -0.51 4.01 4.44 2h6fB1 LYS 856 H -0.04 0.46 -0.11 -0.55 8.42 8.18 2h6fB1 LYS 856 HA -0.04 0.12 0.74 -0.75 4.32 4.39 2h6fB1 LYS 856 HB2 -0.10 -0.04 0.10 -0.04 1.87 1.79 2h6fB1 LYS 856 HB3 -0.10 -0.01 0.12 -0.04 1.79 1.75 2h6fB1 LYS 856 HG2 -0.03 0.13 -0.16 -0.04 1.46 1.36 2h6fB1 LYS 856 HG3 -0.05 -0.13 0.02 -0.04 1.46 1.25 2h6fB1 LYS 856 HD2 -0.03 -0.04 0.03 -0.04 1.69 1.61 2h6fB1 LYS 856 HD3 -0.02 0.10 -0.10 -0.04 1.68 1.62 2h6fB1 LYS 856 HE2 0.00 0.06 -0.08 -0.04 2.99 2.93 2h6fB1 LYS 856 HE3 0.01 -0.05 -0.03 -0.04 2.99 2.88 2h6fB1 SER 857 H -0.05 0.08 0.17 -0.55 8.46 8.11 2h6fB1 SER 857 HA -0.06 0.16 0.70 -0.75 4.49 4.54 2h6fB1 SER 857 HB2 -0.04 0.04 0.10 -0.04 3.95 4.01 2h6fB1 SER 857 HB3 -0.03 0.02 0.07 -0.04 3.93 3.95 2h6fB1 ARG 858 H -0.09 0.11 0.10 -0.55 8.46 8.03 2h6fB1 ARG 858 HA -0.10 0.16 0.38 -0.75 4.34 4.03 2h6fB1 ARG 858 HB2 -0.27 -0.03 0.02 -0.04 1.90 1.58 2h6fB1 ARG 858 HB3 -0.19 0.03 -0.04 -0.04 1.80 1.56 2h6fB1 ARG 858 HG2 -0.15 -0.09 0.05 -0.04 1.67 1.44 2h6fB1 ARG 858 HG3 -0.19 -0.06 -0.30 -0.04 1.67 1.07 2h6fB1 ARG 858 HD2 -1.15 0.06 -0.02 -0.04 3.22 2.07 2h6fB1 ARG 858 HD3 -0.36 0.04 -0.01 -0.04 3.22 2.85 2h6fB1 ASP 859 H -0.01 0.47 0.33 -0.55 8.40 8.65 2h6fB1 ASP 859 HA 0.05 0.16 0.44 -0.75 4.63 4.52 2h6fB1 ASP 859 HB2 0.17 -0.08 0.16 -0.04 2.71 2.91 2h6fB1 ASP 859 HB3 0.07 0.26 0.02 -0.04 2.70 3.00 2h6fB1 PHE 860 H 0.21 0.24 0.14 -0.55 8.34 8.38 2h6fB1 PHE 860 HA 0.12 0.13 0.49 -0.75 4.62 4.60 2h6fB1 PHE 860 HB2 0.35 -0.01 0.08 -0.04 3.15 3.54 2h6fB1 PHE 860 HB3 0.22 0.08 -0.00 -0.04 3.06 3.31 2h6fB1 PHE 860 HD2 -0.14 -0.02 0.01 -0.04 7.28 7.08 2h6fB1 PHE 860 HE2 -0.77 0.04 -0.09 -0.04 7.38 6.53 2h6fB1 PHE 860 HZ -0.50 0.09 0.04 -0.04 7.32 6.90 2h6fB1 TYR 861 H -0.08 0.08 -0.15 -0.55 8.29 7.59 2h6fB1 TYR 861 HA -1.66 0.16 0.44 -0.75 4.56 2.75 2h6fB1 TYR 861 HB2 -1.77 0.07 0.06 -0.04 3.06 1.38 2h6fB1 TYR 861 HB3 -0.53 -0.05 0.07 -0.04 2.98 2.43 2h6fB1 TYR 861 HD2 -0.75 0.01 -0.05 -0.04 7.15 6.33 2h6fB1 TYR 861 HE2 -0.40 0.01 -0.06 -0.04 6.85 6.36 2h6fB1 HIS 862 H -0.05 0.12 -0.18 -0.55 8.41 7.75 2h6fB1 HIS 862 HA -0.46 0.01 0.34 -0.75 4.63 3.77 2h6fB1 HIS 862 HB2 -0.09 0.16 0.03 -0.04 3.26 3.32 2h6fB1 HIS 862 HB3 -0.12 0.05 -0.35 -0.04 3.20 2.74 2h6fB1 HIS 862 HD2 -0.07 -0.06 -0.17 -0.04 6.97 6.62 2h6fB1 HIS 862 HE1 0.14 0.06 -0.01 -0.04 7.75 7.90 2h6fB1 THR 863 H -0.06 0.30 -0.32 -0.55 8.28 7.66 2h6fB1 THR 863 HA -0.10 -0.00 0.44 -0.75 4.39 3.97 2h6fB1 THR 863 HB 0.09 0.14 0.16 -0.04 4.32 4.67 2h6fB1 THR 863 HG23 0.03 0.02 -0.04 -0.04 1.22 1.19 2h6fB1 CYS 864 H -0.23 0.43 -0.20 -0.55 8.50 7.95 2h6fB1 CYS 864 HA -0.25 0.09 0.40 -0.75 4.58 4.06 2h6fB1 CYS 864 HB2 -0.13 0.09 0.22 -0.04 2.97 3.11 2h6fB1 CYS 864 HB3 -0.61 0.05 0.26 -0.04 2.97 2.63 2h6fB1 TYR 865 H -0.48 0.45 -0.01 -0.55 8.29 7.69 2h6fB1 TYR 865 HA -0.38 0.11 0.48 -0.75 4.56 4.01 2h6fB1 TYR 865 HB2 -0.73 -0.04 0.12 -0.04 3.06 2.37 2h6fB1 TYR 865 HB3 -0.56 0.02 0.16 -0.04 2.98 2.57 2h6fB1 TYR 865 HD2 -1.13 0.06 0.03 -0.04 7.15 6.07 2h6fB1 TYR 865 HE2 -0.31 0.02 -0.04 -0.04 6.85 6.48 2h6fB1 CYS 866 H -0.16 0.60 -0.19 -0.55 8.50 8.20 2h6fB1 CYS 866 HA -0.02 0.09 0.47 -0.75 4.58 4.37 2h6fB1 CYS 866 HB2 -0.10 0.14 0.11 -0.04 2.97 3.08 2h6fB1 CYS 866 HB3 -0.05 0.00 -0.04 -0.04 2.97 2.83 2h6fB1 LEU 867 H -0.15 0.43 -0.22 -0.55 8.37 7.88 2h6fB1 LEU 867 HA -0.07 0.04 0.43 -0.75 4.35 4.00 2h6fB1 LEU 867 HB2 -0.19 0.16 0.13 -0.04 1.64 1.70 2h6fB1 LEU 867 HB3 -0.13 0.01 -0.00 -0.04 1.64 1.47 2h6fB1 LEU 867 HG -0.18 0.03 0.09 -0.04 1.64 1.54 2h6fB1 LEU 867 HD13 -0.13 -0.01 -0.02 -0.04 0.93 0.73 2h6fB1 LEU 867 HD23 -0.12 -0.01 -0.07 -0.04 0.89 0.65 2h6fB1 SER 868 H -0.18 0.41 -0.18 -0.55 8.46 7.97 2h6fB1 SER 868 HA -0.03 0.08 0.35 -0.75 4.49 4.14 2h6fB1 SER 868 HB2 -0.24 -0.04 0.09 -0.04 3.95 3.72 2h6fB1 SER 868 HB3 -0.23 -0.03 -0.06 -0.04 3.93 3.57 2h6fB1 GLY 869 H 0.02 0.52 -0.31 -0.55 8.43 8.11 2h6fB1 GLY 869 HA2 0.08 0.06 0.28 -0.51 4.01 3.91 2h6fB1 GLY 869 HA3 0.04 -0.04 -0.02 -0.51 4.01 3.48 2h6fB1 LEU 870 H 0.03 0.45 -0.29 -0.55 8.37 8.01 2h6fB1 LEU 870 HA 0.09 -0.02 0.38 -0.75 4.35 4.05 2h6fB1 LEU 870 HB2 0.02 0.00 0.10 -0.04 1.64 1.72 2h6fB1 LEU 870 HB3 0.01 0.14 0.15 -0.04 1.64 1.89 2h6fB1 LEU 870 HG 0.02 0.04 -0.17 -0.04 1.64 1.49 2h6fB1 LEU 870 HD13 0.04 -0.02 0.05 -0.04 0.93 0.95 2h6fB1 LEU 870 HD23 0.00 -0.00 -0.05 -0.04 0.89 0.80 2h6fB1 SER 871 H 0.06 0.54 -0.22 -0.55 8.46 8.30 2h6fB1 SER 871 HA 0.09 0.01 0.37 -0.75 4.49 4.21 2h6fB1 SER 871 HB2 0.08 0.05 0.06 -0.04 3.95 4.09 2h6fB1 SER 871 HB3 0.13 0.06 0.10 -0.04 3.93 4.17 2h6fB1 ILE 872 H 0.16 0.44 -0.18 -0.55 8.25 8.11 2h6fB1 ILE 872 HA 0.27 0.06 0.46 -0.75 4.18 4.21 2h6fB1 ILE 872 HB 0.10 0.10 0.11 -0.04 1.89 2.15 2h6fB1 ILE 872 HG12 0.08 -0.01 0.01 -0.04 1.49 1.53 2h6fB1 ILE 872 HG13 0.19 0.15 0.04 -0.04 1.21 1.55 2h6fB1 ILE 872 HG23 -0.08 -0.02 -0.18 -0.04 0.93 0.61 2h6fB1 ILE 872 HD13 0.01 -0.04 -0.08 -0.04 0.88 0.73 2h6fB1 ALA 873 H 0.24 0.48 -0.24 -0.55 8.40 8.33 2h6fB1 ALA 873 HA 0.50 -0.05 0.40 -0.75 4.34 4.44 2h6fB1 ALA 873 HB3 0.30 0.02 0.14 -0.04 1.41 1.82 2h6fB1 GLN 874 H 0.05 0.34 -0.33 -0.55 8.47 7.99 2h6fB1 GLN 874 HA -0.10 0.24 0.67 -0.75 4.36 4.42 2h6fB1 GLN 874 HB2 -0.55 0.11 0.10 -0.04 2.15 1.77 2h6fB1 GLN 874 HB3 -0.50 -0.15 -0.02 -0.04 2.02 1.30 2h6fB1 GLN 874 HG2 -0.09 -0.08 0.07 -0.04 2.40 2.26 2h6fB1 GLN 874 HG3 -0.04 0.31 0.07 -0.04 2.39 2.69 2h6fB1 GLN 874 HE21 -0.01 0.49 -0.17 -0.04 6.97 7.24 2h6fB1 GLN 874 HE22 -0.02 -0.08 -0.09 -0.04 7.69 7.45 2h6fB1 HIS 875 H 0.17 0.43 -0.13 -0.55 8.41 8.33 2h6fB1 HIS 875 HA 0.04 0.14 1.18 -0.75 4.63 5.23 2h6fB1 HIS 875 HB2 0.18 0.01 0.10 -0.04 3.26 3.51 2h6fB1 HIS 875 HB3 0.08 -0.04 -0.09 -0.04 3.20 3.11 2h6fB1 HIS 875 HD2 0.09 0.00 -0.09 -0.04 6.97 6.92 2h6fB1 HIS 875 HE1 0.01 -0.05 -0.07 -0.04 7.75 7.60 2h6fB1 PHE 876 H 0.05 0.47 0.24 -0.55 8.34 8.54 2h6fB1 PHE 876 HA -0.84 0.14 0.88 -0.75 4.62 4.05 2h6fB1 PHE 876 HB2 -0.97 -0.06 -0.06 -0.04 3.15 2.03 2h6fB1 PHE 876 HB3 -0.45 0.18 0.15 -0.04 3.06 2.91 2h6fB1 PHE 876 HD2 -1.54 -0.05 -0.39 -0.04 7.28 5.25 2h6fB1 PHE 876 HE2 -0.64 0.07 -0.43 -0.04 7.38 6.34 2h6fB1 PHE 876 HZ -0.35 0.14 -0.28 -0.04 7.32 6.79 2h6fB1 GLY 877 H -1.29 0.24 0.08 -0.55 8.43 6.92 2h6fB1 GLY 877 HA2 -0.43 0.33 0.76 -0.51 4.01 4.16 2h6fB1 GLY 877 HA3 -0.24 -0.01 0.24 -0.51 4.01 3.49 2h6fB1 SER 878 H -0.28 0.71 0.06 -0.55 8.46 8.40 2h6fB1 SER 878 HA -0.15 0.03 0.54 -0.75 4.49 4.16 2h6fB1 SER 878 HB2 -0.46 0.08 -0.20 -0.04 3.95 3.33 2h6fB1 SER 878 HB3 -0.05 -0.01 -0.03 -0.04 3.93 3.80 2h6fB1 GLY 879 H -0.05 0.15 0.09 -0.55 8.43 8.07 2h6fB1 GLY 879 HA2 0.03 0.05 0.35 -0.51 4.01 3.93 2h6fB1 GLY 879 HA3 0.00 0.03 0.52 -0.51 4.01 4.06 2h6fB1 ALA 880 H 0.02 0.14 0.24 -0.55 8.40 8.26 2h6fB1 ALA 880 HA 0.01 0.17 0.71 -0.75 4.34 4.47 2h6fB1 ALA 880 HB3 0.02 -0.01 0.10 -0.04 1.41 1.48 2h6fB1 MET 881 H -0.01 0.42 -0.06 -0.55 8.47 8.28 2h6fB1 MET 881 HA 0.02 0.09 0.74 -0.75 4.52 4.62 2h6fB1 MET 881 HB2 0.08 0.07 0.16 -0.04 2.15 2.41 2h6fB1 MET 881 HB3 0.09 0.13 0.03 -0.04 2.03 2.24 2h6fB1 MET 881 HG2 0.03 -0.11 0.09 -0.04 2.63 2.61 2h6fB1 MET 881 HG3 0.05 0.01 0.07 -0.04 2.56 2.65 2h6fB1 MET 881 HE3 -0.00 0.01 0.02 -0.04 2.10 2.09 2h6fB1 LEU 882 H 0.03 0.25 0.20 -0.55 8.37 8.31 2h6fB1 LEU 882 HA -0.01 0.29 0.88 -0.75 4.35 4.75 2h6fB1 LEU 882 HB2 0.01 -0.04 0.11 -0.04 1.64 1.67 2h6fB1 LEU 882 HB3 0.00 0.00 -0.00 -0.04 1.64 1.60 2h6fB1 LEU 882 HG -0.04 0.04 -0.05 -0.04 1.64 1.54 2h6fB1 LEU 882 HD13 -0.02 -0.01 -0.68 -0.04 0.93 0.18 2h6fB1 LEU 882 HD23 -0.01 -0.02 -0.06 -0.04 0.89 0.76 2h6fB1 HIS 883 H 0.12 0.57 0.17 -0.55 8.41 8.73 2h6fB1 HIS 883 HA -0.05 0.09 0.92 -0.75 4.63 4.83 2h6fB1 HIS 883 HB2 -0.13 -0.01 -0.08 -0.04 3.26 3.00 2h6fB1 HIS 883 HB3 -0.25 0.11 0.18 -0.04 3.20 3.20 2h6fB1 HIS 883 HD2 -0.75 0.09 -0.06 -0.04 6.97 6.21 2h6fB1 HIS 883 HE1 -0.08 -0.05 0.03 -0.04 7.75 7.61 2h6fB1 ASP 884 H -0.28 0.12 0.18 -0.55 8.40 7.87 2h6fB1 ASP 884 HA -0.11 0.34 1.07 -0.75 4.63 5.18 2h6fB1 ASP 884 HB2 -0.08 -0.06 0.14 -0.04 2.71 2.66 2h6fB1 ASP 884 HB3 -0.06 -0.01 0.01 -0.04 2.70 2.60 2h6fB1 VAL 885 H -0.16 0.79 0.23 -0.55 8.24 8.55 2h6fB1 VAL 885 HA -0.15 0.10 0.79 -0.75 4.13 4.13 2h6fB1 VAL 885 HB -0.08 0.14 0.22 -0.04 2.12 2.36 2h6fB1 VAL 885 HG13 -0.03 -0.05 -0.06 -0.04 0.97 0.78 2h6fB1 VAL 885 HG23 -0.11 -0.01 -0.18 -0.04 0.95 0.61 2h6fB1 VAL 886 H -0.09 0.18 -0.04 -0.55 8.24 7.74 2h6fB1 VAL 886 HA -0.07 0.15 0.86 -0.75 4.13 4.32 2h6fB1 VAL 886 HB -0.04 -0.03 0.11 -0.04 2.12 2.13 2h6fB1 VAL 886 HG13 -0.02 0.04 -0.25 -0.04 0.97 0.70 2h6fB1 VAL 886 HG23 -0.07 -0.01 -0.06 -0.04 0.95 0.77 2h6fB1 LEU 887 H -0.03 0.17 0.06 -0.55 8.37 8.02 2h6fB1 LEU 887 HA -0.02 0.06 0.47 -0.75 4.35 4.10 2h6fB1 LEU 887 HB2 -0.01 -0.01 0.05 -0.04 1.64 1.63 2h6fB1 LEU 887 HB3 -0.01 -0.00 0.04 -0.04 1.64 1.62 2h6fB1 LEU 887 HG -0.02 0.00 -0.16 -0.04 1.64 1.42 2h6fB1 LEU 887 HD13 -0.02 -0.00 0.03 -0.04 0.93 0.90 2h6fB1 LEU 887 HD23 -0.03 -0.01 -0.09 -0.04 0.89 0.73 2h6fB1 GLY 888 H -0.01 0.08 0.17 -0.55 8.43 8.12 2h6fB1 GLY 888 HA2 0.01 -0.17 0.39 -0.51 4.01 3.73 2h6fB1 GLY 888 HA3 0.00 0.24 0.65 -0.51 4.01 4.39 2h6fB1 VAL 889 H 0.02 0.42 0.18 -0.55 8.24 8.32 2h6fB1 VAL 889 HA 0.02 0.12 0.49 -0.75 4.13 4.00 2h6fB1 VAL 889 HB 0.02 -0.05 0.10 -0.04 2.12 2.15 2h6fB1 VAL 889 HG13 0.03 0.03 -0.01 -0.04 0.97 0.99 2h6fB1 VAL 889 HG23 0.02 0.01 0.06 -0.04 0.95 0.99 2h6fB1 PRO 890 HA -0.00 0.14 0.39 -0.51 4.44 4.46 2h6fB1 PRO 890 HB2 0.00 -0.02 0.06 -0.04 2.28 2.28 2h6fB1 PRO 890 HB3 0.00 0.04 0.11 -0.04 2.02 2.13 2h6fB1 PRO 890 HG2 0.00 0.01 0.11 -0.04 2.03 2.11 2h6fB1 PRO 890 HG3 -0.00 0.11 0.12 -0.04 2.03 2.22 2h6fB1 PRO 890 HD2 0.01 0.03 0.22 -0.04 3.68 3.91 2h6fB1 PRO 890 HD3 0.01 0.19 0.28 -0.04 3.65 4.09 2h6fB1 GLU 891 H 0.01 0.05 -0.33 -0.55 8.60 7.78 2h6fB1 GLU 891 HA 0.01 0.11 0.36 -0.75 4.29 4.01 2h6fB1 GLU 891 HB2 0.01 -0.02 -0.03 -0.04 2.09 2.01 2h6fB1 GLU 891 HB3 0.00 0.03 0.10 -0.04 1.99 2.08 2h6fB1 GLU 891 HG2 0.00 -0.00 0.02 -0.04 2.34 2.32 2h6fB1 GLU 891 HG3 0.00 0.02 0.02 -0.04 2.34 2.34 2h6fB1 ASN 892 H 0.01 0.53 -0.53 -0.55 8.53 8.00 2h6fB1 ASN 892 HA 0.02 -0.04 0.41 -0.75 4.76 4.40 2h6fB1 ASN 892 HB2 0.00 0.21 -0.07 -0.04 2.88 2.98 2h6fB1 ASN 892 HB3 0.01 -0.08 0.00 -0.04 2.79 2.68 2h6fB1 ASN 892 HD21 0.01 0.19 -0.02 -0.04 7.03 7.17 2h6fB1 ASN 892 HD22 0.00 0.54 0.15 -0.04 7.74 8.39 2h6fB1 ALA 893 H 0.01 0.36 -0.33 -0.55 8.40 7.89 2h6fB1 ALA 893 HA 0.02 -0.07 0.36 -0.75 4.34 3.89 2h6fB1 ALA 893 HB3 0.06 -0.00 0.05 -0.04 1.41 1.48 2h6fB1 LEU 894 H 0.10 0.03 0.17 -0.55 8.37 8.12 2h6fB1 LEU 894 HA 0.04 0.24 0.81 -0.75 4.35 4.69 2h6fB1 LEU 894 HB2 0.10 -0.10 0.03 -0.04 1.64 1.63 2h6fB1 LEU 894 HB3 0.03 0.05 0.13 -0.04 1.64 1.82 2h6fB1 LEU 894 HG 0.02 0.13 -0.03 -0.04 1.64 1.72 2h6fB1 LEU 894 HD13 -0.01 -0.07 -0.03 -0.04 0.93 0.78 2h6fB1 LEU 894 HD23 0.00 -0.01 -0.17 -0.04 0.89 0.67 2h6fB1 GLN 895 H 0.02 0.58 0.32 -0.55 8.47 8.84 2h6fB1 GLN 895 HA -0.01 0.05 0.53 -0.75 4.36 4.18 2h6fB1 GLN 895 HB2 -0.00 -0.02 0.15 -0.04 2.15 2.24 2h6fB1 GLN 895 HB3 0.00 -0.06 0.08 -0.04 2.02 2.01 2h6fB1 GLN 895 HG2 -0.01 0.09 0.05 -0.04 2.40 2.49 2h6fB1 GLN 895 HG3 -0.01 0.03 0.09 -0.04 2.39 2.46 2h6fB1 GLN 895 HE21 -0.01 -0.06 -0.07 -0.04 6.97 6.79 2h6fB1 GLN 895 HE22 0.00 0.08 -0.14 -0.04 7.69 7.59 2h6fB1 PRO 896 HA 0.12 0.12 0.42 -0.51 4.44 4.59 2h6fB1 PRO 896 HB2 0.02 0.00 -0.05 -0.04 2.28 2.21 2h6fB1 PRO 896 HB3 -0.21 0.07 0.05 -0.04 2.02 1.89 2h6fB1 PRO 896 HG2 -0.00 -0.10 0.04 -0.04 2.03 1.93 2h6fB1 PRO 896 HG3 -0.08 0.03 0.04 -0.04 2.03 1.97 2h6fB1 PRO 896 HD2 -0.05 0.04 0.22 -0.04 3.68 3.85 2h6fB1 PRO 896 HD3 -0.22 0.20 0.17 -0.04 3.65 3.75 2h6fB1 THR 897 H 0.16 0.26 0.09 -0.55 8.28 8.25 2h6fB1 THR 897 HA 0.20 0.11 0.64 -0.75 4.39 4.59 2h6fB1 THR 897 HB 0.19 0.09 -0.22 -0.04 4.32 4.33 2h6fB1 THR 897 HG23 0.23 -0.01 -0.19 -0.04 1.22 1.21 2h6fB1 HIS 898 H 0.30 0.60 0.12 -0.55 8.41 8.89 2h6fB1 HIS 898 HA 0.16 0.18 0.58 -0.75 4.63 4.80 2h6fB1 HIS 898 HB2 0.18 0.09 0.00 -0.04 3.26 3.50 2h6fB1 HIS 898 HB3 0.28 -0.22 0.14 -0.04 3.20 3.36 2h6fB1 HIS 898 HD2 0.16 0.02 0.04 -0.04 6.97 7.13 2h6fB1 HIS 898 HE1 0.15 0.08 -0.02 -0.04 7.75 7.92 2h6fB1 PRO 899 HA 0.31 0.11 0.38 -0.51 4.44 4.74 2h6fB1 PRO 899 HB2 0.00 0.05 0.01 -0.04 2.28 2.30 2h6fB1 PRO 899 HB3 -0.07 0.07 0.12 -0.04 2.02 2.10 2h6fB1 PRO 899 HG2 -0.07 -0.01 -0.00 -0.04 2.03 1.90 2h6fB1 PRO 899 HG3 -0.12 0.08 0.01 -0.04 2.03 1.96 2h6fB1 PRO 899 HD2 -0.55 0.03 0.23 -0.04 3.68 3.35 2h6fB1 PRO 899 HD3 -0.06 0.29 0.25 -0.04 3.65 4.10 2h6fB1 VAL 900 H 0.67 0.02 -0.30 -0.55 8.24 8.07 2h6fB1 VAL 900 HA 0.13 0.17 0.68 -0.75 4.13 4.36 2h6fB1 VAL 900 HB 0.04 -0.07 0.04 -0.04 2.12 2.09 2h6fB1 VAL 900 HG13 -0.54 0.02 -0.19 -0.04 0.97 0.22 2h6fB1 VAL 900 HG23 0.10 0.01 -0.05 -0.04 0.95 0.96 2h6fB1 TYR 901 H 0.45 -0.03 -0.09 -0.55 8.29 8.07 2h6fB1 TYR 901 HA 0.43 0.22 0.67 -0.75 4.56 5.13 2h6fB1 TYR 901 HB2 0.02 -0.06 -0.05 -0.04 3.06 2.93 2h6fB1 TYR 901 HB3 0.03 0.04 -0.05 -0.04 2.98 2.96 2h6fB1 TYR 901 HD2 -0.35 -0.04 -0.05 -0.04 7.15 6.67 2h6fB1 TYR 901 HE2 -0.11 0.07 -0.01 -0.04 6.85 6.76 2h6fB1 ASN 902 H 0.43 0.40 -0.09 -0.55 8.53 8.72 2h6fB1 ASN 902 HA 0.15 0.12 0.25 -0.75 4.76 4.53 2h6fB1 ASN 902 HB2 -0.01 0.01 -0.26 -0.04 2.88 2.58 2h6fB1 ASN 902 HB3 0.02 0.09 0.08 -0.04 2.79 2.93 2h6fB1 ASN 902 HD21 -0.92 -0.05 -0.09 -0.04 7.03 5.92 2h6fB1 ASN 902 HD22 -0.57 -0.03 -0.07 -0.04 7.74 7.04 2h6fB1 ILE 903 H 0.20 0.17 0.00 -0.55 8.25 8.07 2h6fB1 ILE 903 HA 0.00 0.17 0.48 -0.75 4.18 4.08 2h6fB1 ILE 903 HB 0.08 -0.00 0.02 -0.04 1.89 1.94 2h6fB1 ILE 903 HG12 0.08 -0.12 -0.23 -0.04 1.49 1.18 2h6fB1 ILE 903 HG13 0.06 0.07 -0.39 -0.04 1.21 0.91 2h6fB1 ILE 903 HG23 0.04 0.06 -0.22 -0.04 0.93 0.76 2h6fB1 ILE 903 HD13 -0.06 0.02 -0.23 -0.04 0.88 0.56 2h6fB1 GLY 904 H 0.16 0.18 0.08 -0.55 8.43 8.31 2h6fB1 GLY 904 HA2 0.15 0.36 0.43 -0.51 4.01 4.43 2h6fB1 GLY 904 HA3 0.10 0.06 0.34 -0.51 4.01 4.00 2h6fB1 PRO 905 HA 0.27 0.04 0.43 -0.51 4.44 4.68 2h6fB1 PRO 905 HB2 0.09 0.05 -0.03 -0.04 2.28 2.35 2h6fB1 PRO 905 HB3 0.17 0.05 0.03 -0.04 2.02 2.23 2h6fB1 PRO 905 HG2 0.08 0.11 -0.15 -0.04 2.03 2.03 2h6fB1 PRO 905 HG3 0.16 0.02 -0.24 -0.04 2.03 1.93 2h6fB1 PRO 905 HD2 0.08 0.15 0.04 -0.04 3.68 3.92 2h6fB1 PRO 905 HD3 0.14 0.19 -0.21 -0.04 3.65 3.74 2h6fB1 ASP 906 H 0.07 0.18 -0.24 -0.55 8.40 7.86 2h6fB1 ASP 906 HA 0.05 0.09 0.43 -0.75 4.63 4.44 2h6fB1 ASP 906 HB2 0.03 0.05 0.01 -0.04 2.71 2.76 2h6fB1 ASP 906 HB3 0.03 0.03 0.06 -0.04 2.70 2.78 2h6fB1 LYS 907 H 0.06 0.11 -0.37 -0.55 8.42 7.66 2h6fB1 LYS 907 HA 0.05 0.11 0.39 -0.75 4.32 4.13 2h6fB1 LYS 907 HB2 0.05 0.06 -0.05 -0.04 1.87 1.89 2h6fB1 LYS 907 HB3 0.05 0.18 -0.12 -0.04 1.79 1.85 2h6fB1 LYS 907 HG2 0.06 -0.17 0.04 -0.04 1.46 1.34 2h6fB1 LYS 907 HG3 0.06 -0.06 0.05 -0.04 1.46 1.47 2h6fB1 LYS 907 HD2 0.03 0.30 0.05 -0.04 1.69 2.02 2h6fB1 LYS 907 HD3 0.03 -0.12 -0.09 -0.04 1.68 1.47 2h6fB1 LYS 907 HE2 0.02 -0.13 -0.01 -0.04 2.99 2.83 2h6fB1 LYS 907 HE3 0.02 0.03 0.08 -0.04 2.99 3.08 2h6fB1 VAL 908 H 0.04 0.35 -0.26 -0.55 8.24 7.81 2h6fB1 VAL 908 HA -0.17 0.06 0.38 -0.75 4.13 3.65 2h6fB1 VAL 908 HB 0.03 0.11 0.14 -0.04 2.12 2.36 2h6fB1 VAL 908 HG13 -0.31 -0.00 -0.13 -0.04 0.97 0.49 2h6fB1 VAL 908 HG23 -0.19 0.02 -0.08 -0.04 0.95 0.66 2h6fB1 ILE 909 H 0.04 0.52 -0.11 -0.55 8.25 8.15 2h6fB1 ILE 909 HA 0.02 0.03 0.38 -0.75 4.18 3.86 2h6fB1 ILE 909 HB 0.05 0.07 0.15 -0.04 1.89 2.11 2h6fB1 ILE 909 HG12 0.07 -0.02 0.02 -0.04 1.49 1.52 2h6fB1 ILE 909 HG13 0.09 0.07 0.08 -0.04 1.21 1.41 2h6fB1 ILE 909 HG23 0.04 -0.01 -0.13 -0.04 0.93 0.79 2h6fB1 ILE 909 HD13 0.07 -0.02 -0.04 -0.04 0.88 0.84 2h6fB1 GLN 910 H 0.03 0.54 -0.16 -0.55 8.47 8.33 2h6fB1 GLN 910 HA 0.03 -0.01 0.40 -0.75 4.36 4.03 2h6fB1 GLN 910 HB2 0.05 0.04 0.13 -0.04 2.15 2.33 2h6fB1 GLN 910 HB3 0.09 0.08 0.13 -0.04 2.02 2.28 2h6fB1 GLN 910 HG2 0.18 0.01 -0.10 -0.04 2.40 2.45 2h6fB1 GLN 910 HG3 0.07 -0.07 0.06 -0.04 2.39 2.40 2h6fB1 GLN 910 HE21 0.01 -0.02 -0.01 -0.04 6.97 6.91 2h6fB1 GLN 910 HE22 0.03 -0.04 -0.00 -0.04 7.69 7.65 2h6fB1 ALA 911 H 0.00 0.56 -0.17 -0.55 8.40 8.24 2h6fB1 ALA 911 HA -0.55 -0.00 0.47 -0.75 4.34 3.50 2h6fB1 ALA 911 HB3 0.04 0.01 0.10 -0.04 1.41 1.52 2h6fB1 THR 912 H -0.04 0.63 0.01 -0.55 8.28 8.33 2h6fB1 THR 912 HA 0.07 0.23 0.46 -0.75 4.39 4.40 2h6fB1 THR 912 HB 0.02 -0.03 0.04 -0.04 4.32 4.30 2h6fB1 THR 912 HG23 -0.08 0.05 0.06 -0.04 1.22 1.20 2h6fB1 THR 913 H -0.01 0.52 -0.23 -0.55 8.28 8.02 2h6fB1 THR 913 HA 0.00 0.01 0.40 -0.75 4.39 4.05 2h6fB1 THR 913 HB 0.01 0.09 0.13 -0.04 4.32 4.51 2h6fB1 THR 913 HG23 0.01 -0.03 -0.09 -0.04 1.22 1.06 2h6fB1 TYR 914 H -0.06 0.46 -0.17 -0.55 8.29 7.97 2h6fB1 TYR 914 HA -0.18 -0.04 0.41 -0.75 4.56 4.00 2h6fB1 TYR 914 HB2 -0.38 0.04 0.15 -0.04 3.06 2.83 2h6fB1 TYR 914 HB3 -0.99 0.14 0.20 -0.04 2.98 2.29 2h6fB1 TYR 914 HD2 -0.98 0.04 -0.07 -0.04 7.15 6.09 2h6fB1 TYR 914 HE2 -0.13 -0.02 -0.08 -0.04 6.85 6.58 2h6fB1 PHE 915 H -0.12 0.64 -0.03 -0.55 8.34 8.27 2h6fB1 PHE 915 HA -0.16 -0.00 0.47 -0.75 4.62 4.17 2h6fB1 PHE 915 HB2 -0.07 0.22 0.09 -0.04 3.15 3.36 2h6fB1 PHE 915 HB3 -0.04 0.10 -0.21 -0.04 3.06 2.87 2h6fB1 PHE 915 HD2 -0.07 0.14 -0.01 -0.04 7.28 7.29 2h6fB1 PHE 915 HE2 -0.01 -0.03 -0.06 -0.04 7.38 7.23 2h6fB1 PHE 915 HZ 0.11 -0.00 0.04 -0.04 7.32 7.43 2h6fB1 LEU 916 H 0.02 0.43 -0.32 -0.55 8.37 7.95 2h6fB1 LEU 916 HA 0.04 0.07 0.48 -0.75 4.35 4.18 2h6fB1 LEU 916 HB2 0.00 0.10 0.15 -0.04 1.64 1.85 2h6fB1 LEU 916 HB3 0.01 -0.12 0.07 -0.04 1.64 1.56 2h6fB1 LEU 916 HG 0.05 0.20 0.09 -0.04 1.64 1.94 2h6fB1 LEU 916 HD13 0.03 -0.06 -0.06 -0.04 0.93 0.80 2h6fB1 LEU 916 HD23 0.04 -0.02 0.05 -0.04 0.89 0.92 2h6fB1 GLN 917 H -0.11 0.34 -0.56 -0.55 8.47 7.58 2h6fB1 GLN 917 HA -0.06 0.00 0.55 -0.75 4.36 4.10 2h6fB1 GLN 917 HB2 -0.27 0.29 0.13 -0.04 2.15 2.27 2h6fB1 GLN 917 HB3 -0.14 -0.14 0.11 -0.04 2.02 1.81 2h6fB1 GLN 917 HG2 -0.06 -0.10 0.03 -0.04 2.40 2.22 2h6fB1 GLN 917 HG3 -0.08 0.21 0.04 -0.04 2.39 2.52 2h6fB1 GLN 917 HE21 -0.04 -0.08 0.01 -0.04 6.97 6.82 2h6fB1 GLN 917 HE22 -0.05 -0.03 0.02 -0.04 7.69 7.58 2h6fB1 LYS 918 H -0.04 0.49 -0.37 -0.55 8.42 7.94 2h6fB1 LYS 918 HA -0.04 0.04 0.82 -0.75 4.32 4.38 2h6fB1 LYS 918 HB2 0.06 0.23 0.12 -0.04 1.87 2.24 2h6fB1 LYS 918 HB3 0.02 -0.05 0.11 -0.04 1.79 1.83 2h6fB1 LYS 918 HG2 -0.10 -0.07 -0.04 -0.04 1.46 1.20 2h6fB1 LYS 918 HG3 -0.21 0.04 -0.05 -0.04 1.46 1.21 2h6fB1 LYS 918 HD2 0.26 0.07 0.02 -0.04 1.69 2.00 2h6fB1 LYS 918 HD3 0.08 -0.07 0.02 -0.04 1.68 1.67 2h6fB1 LYS 918 HE2 -0.47 0.02 -0.10 -0.04 2.99 2.40 2h6fB1 LYS 918 HE3 0.19 -0.02 -0.06 -0.04 2.99 3.06 2h6fB1 PRO 919 HA 0.02 0.12 0.62 -0.51 4.44 4.69 2h6fB1 PRO 919 HB2 0.01 0.08 0.03 -0.04 2.28 2.36 2h6fB1 PRO 919 HB3 -0.00 -0.02 0.08 -0.04 2.02 2.04 2h6fB1 PRO 919 HG2 0.01 -0.03 -0.05 -0.04 2.03 1.92 2h6fB1 PRO 919 HG3 -0.00 -0.04 0.04 -0.04 2.03 1.99 2h6fB1 PRO 919 HD2 -0.00 0.04 0.22 -0.04 3.68 3.90 2h6fB1 PRO 919 HD3 -0.01 0.13 0.17 -0.04 3.65 3.90 2h6fB1 VAL 920 H 0.07 0.08 0.18 -0.55 8.24 8.01 2h6fB1 VAL 920 HA 0.06 0.32 0.60 -0.75 4.13 4.35 2h6fB1 VAL 920 HB 0.25 -0.05 0.07 -0.04 2.12 2.35 2h6fB1 VAL 920 HG13 0.09 -0.02 -0.28 -0.04 0.97 0.72 2h6fB1 VAL 920 HG23 0.13 0.04 -0.03 -0.04 0.95 1.04 2h6fB1 PRO 921 HA 0.01 -0.07 0.37 -0.51 4.44 4.24 2h6fB1 PRO 921 HB2 -0.04 0.02 0.14 -0.04 2.28 2.36 2h6fB1 PRO 921 HB3 -0.02 -0.10 0.06 -0.04 2.02 1.91 2h6fB1 PRO 921 HG2 -0.02 0.09 -0.17 -0.04 2.03 1.88 2h6fB1 PRO 921 HG3 0.00 0.02 -0.02 -0.04 2.03 1.99 2h6fB1 PRO 921 HD2 0.00 0.05 0.19 -0.04 3.68 3.88 2h6fB1 PRO 921 HD3 0.02 0.43 0.32 -0.04 3.65 4.38 2h6fB1 GLY 922 H 0.02 0.11 0.17 -0.55 8.43 8.18 2h6fB1 GLY 922 HA2 0.02 -0.04 0.32 -0.51 4.01 3.80 2h6fB1 GLY 922 HA3 0.01 0.01 0.40 -0.51 4.01 3.92 2h6fB1 PHE 923 H 0.11 0.61 -0.16 -0.55 8.34 8.35 2h6fB1 PHE 923 HA -0.01 0.08 0.83 -0.75 4.62 4.77 2h6fB1 PHE 923 HB2 -0.02 0.09 -0.30 -0.04 3.15 2.88 2h6fB1 PHE 923 HB3 -0.01 0.05 -0.20 -0.04 3.06 2.86 2h6fB1 PHE 923 HD2 0.01 0.08 -0.06 -0.04 7.28 7.26 2h6fB1 PHE 923 HE2 0.02 0.01 0.01 -0.04 7.38 7.39 2h6fB1 PHE 923 HZ 0.03 -0.01 0.03 -0.04 7.32 7.33 2h6fB1 GLU 924 H -0.86 0.19 0.04 -0.55 8.60 7.42 2h6fB1 GLU 924 HA -0.26 0.28 0.73 -0.75 4.29 4.30 2h6fB1 GLU 924 HB2 -0.24 -0.02 0.01 -0.04 2.09 1.79 2h6fB1 GLU 924 HB3 -0.22 0.00 0.06 -0.04 1.99 1.79 2h6fB1 GLU 924 HG2 -0.11 0.07 0.03 -0.04 2.34 2.30 2h6fB1 GLU 924 HG3 -0.10 0.00 -0.16 -0.04 2.34 2.04