============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 91 rings ring int. center anis. iso. HIS 20 0.900 42.547 -20.574 -1.434 -99.200 -91.000 HIS 22 0.900 44.753 -20.907 -8.095 -99.200 -91.000 PHE 29 1.000 43.593 -3.992 -20.579 -99.200 -91.000 TYR 73 0.840 26.254 -24.258 -16.025 -99.200 -91.000 TYR 81 0.840 19.242 -4.656 -6.105 -99.200 -91.000 PHE 106 1.000 35.060 -16.097 -14.226 -99.200 -91.000 TRP 117 1.040 36.629 -3.513 -19.066 -99.200 -91.000 TRP6 117 1.020 38.467 -4.968 -19.380 -99.200 -91.000 HIS 128 0.900 51.234 0.633 -22.765 -99.200 -91.000 TYR 130 0.840 44.672 2.184 -14.501 -99.200 -91.000 PHE 132 1.000 38.757 2.143 -11.822 -99.200 -91.000 HIS 139 0.900 28.522 -3.126 -8.003 -99.200 -91.000 TYR 156 0.840 42.452 -12.730 -3.411 -99.200 -91.000 TYR 189 0.840 52.520 -8.670 -13.394 -99.200 -91.000 PHE 191 1.000 48.577 -10.244 -8.074 -99.200 -91.000 TYR 200 0.840 33.298 -5.851 1.947 -99.200 -91.000 TRP 221 1.040 52.151 -0.414 -6.143 -99.200 -91.000 TRP6 221 1.020 53.474 -1.536 -7.755 -99.200 -91.000 TYR 232 0.840 55.150 16.997 -0.188 -99.200 -91.000 PHE 234 1.000 48.420 9.832 -1.217 -99.200 -91.000 TYR 251 0.840 48.531 -3.501 8.048 -99.200 -91.000 TRP 253 1.040 44.883 -6.586 7.140 -99.200 -91.000 TRP6 253 1.020 43.354 -8.151 6.283 -99.200 -91.000 TYR 256 0.840 47.663 1.179 4.122 -99.200 -91.000 PHE 265 1.000 38.574 4.445 -6.544 -99.200 -91.000 TYR 267 0.840 32.659 4.364 -3.841 -99.200 -91.000 PHE 277 1.000 42.103 -0.596 -5.989 -99.200 -91.000 HIS 295 0.900 36.809 6.057 6.425 -99.200 -91.000 HIS 299 0.900 36.756 1.011 6.204 -99.200 -91.000 TRP 301 1.040 43.548 -2.897 13.452 -99.200 -91.000 TRP6 301 1.020 44.965 -1.383 12.258 -99.200 -91.000 TRP 311 1.040 26.408 -5.623 1.710 -99.200 -91.000 TRP6 311 1.020 28.489 -4.674 2.305 -99.200 -91.000 HIS 313 0.900 22.869 -5.670 11.198 -99.200 -91.000 PHE 314 1.000 28.447 0.888 4.473 -99.200 -91.000 TRP 315 1.040 25.394 0.458 12.699 -99.200 -91.000 TRP6 315 1.020 26.515 1.074 14.723 -99.200 -91.000 HIS 320 0.900 32.209 0.297 15.753 -99.200 -91.000 TYR 323 0.840 35.595 6.601 18.759 -99.200 -91.000 HIS 327 0.900 40.053 8.639 19.532 -99.200 -91.000 PHE 333 1.000 47.435 16.722 11.598 -99.200 -91.000 PHE 337 1.000 42.342 18.714 12.291 -99.200 -91.000 HIS 339 0.900 35.762 17.531 21.242 -99.200 -91.000 PHE 340 1.000 37.551 22.203 11.739 -99.200 -91.000 TRP 346 1.040 24.964 17.556 14.553 -99.200 -91.000 TRP6 346 1.020 24.092 15.716 15.761 -99.200 -91.000 PHE 356 1.000 19.078 9.849 1.846 -99.200 -91.000 HIS 360 0.900 14.429 7.898 2.283 -99.200 -91.000 PHE 362 1.000 17.246 4.500 1.132 -99.200 -91.000 TYR 378 0.840 28.426 5.305 -0.027 -99.200 -91.000 TYR 383 0.840 30.743 6.459 5.408 -99.200 -91.000 PHE 387 1.000 32.661 10.806 15.508 -99.200 -91.000 PHE 391 1.000 32.684 13.318 20.167 -99.200 -91.000 TYR 392 0.840 24.405 9.404 23.982 -99.200 -91.000 PHE 403 1.000 33.259 3.966 22.890 -99.200 -91.000 PHE 406 1.000 33.125 -1.234 22.784 -99.200 -91.000 TYR 410 0.840 33.581 -3.949 17.466 -99.200 -91.000 PHE 414 1.000 32.270 -9.511 18.332 -99.200 -91.000 TYR 416 0.840 41.937 -12.967 12.037 -99.200 -91.000 TRP 424 1.040 29.044 -1.927 18.677 -99.200 -91.000 TRP6 424 1.020 27.327 -0.471 19.397 -99.200 -91.000 PHE 427 1.000 33.413 -7.015 23.582 -99.200 -91.000 TYR 429 0.840 23.658 -2.851 27.399 -99.200 -91.000 TYR 431 0.840 35.809 -2.911 27.466 -99.200 -91.000 PHE 432 1.000 32.541 0.645 28.081 -99.200 -91.000 TRP 444 1.040 20.722 0.953 24.021 -99.200 -91.000 TRP6 444 1.020 22.805 1.297 22.954 -99.200 -91.000 TRP 447 1.040 21.318 7.376 20.322 -99.200 -91.000 TRP6 447 1.020 22.809 8.713 19.079 -99.200 -91.000 TYR 449 0.840 16.883 -1.276 15.695 -99.200 -91.000 TYR 460 0.840 29.724 17.470 18.238 -99.200 -91.000 TRP 475 1.040 31.982 36.720 3.352 -99.200 -91.000 TRP6 475 1.020 31.963 37.958 1.332 -99.200 -91.000 PHE 486 1.000 32.440 40.493 4.025 -99.200 -91.000 HIS 497 0.900 42.301 20.179 7.393 -99.200 -91.000 PHE 502 1.000 33.836 31.777 4.323 -99.200 -91.000 HIS 516 0.900 25.917 39.578 -0.056 -99.200 -91.000 TYR 524 0.840 37.310 36.171 1.341 -99.200 -91.000 PHE 526 1.000 37.071 31.498 -1.076 -99.200 -91.000 PHE 536 1.000 31.370 19.103 -3.705 -99.200 -91.000 TRP 538 1.040 34.654 29.476 -5.721 -99.200 -91.000 TRP6 538 1.020 33.531 31.400 -4.910 -99.200 -91.000 TRP 547 1.040 29.227 34.746 -11.160 -99.200 -91.000 TRP6 547 1.020 31.302 34.740 -10.008 -99.200 -91.000 PHE 566 1.000 35.329 16.306 -4.518 -99.200 -91.000 PHE 571 1.000 27.078 15.715 -14.675 -99.200 -91.000 PHE 577 1.000 22.282 29.080 -12.914 -99.200 -91.000 HIS 581 0.900 17.398 20.600 -16.726 -99.200 -91.000 TYR 588 0.840 24.155 10.850 -17.451 -99.200 -91.000 HIS 591 0.900 32.108 14.235 -20.955 -99.200 -91.000 HIS 596 0.900 32.850 2.656 -11.539 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2r59A1 PRO 1 HA 0.02 -0.08 0.20 -0.51 4.44 4.07 2r59A1 PRO 1 HB2 0.02 -0.06 -0.09 -0.04 2.28 2.12 2r59A1 PRO 1 HB3 0.03 -0.01 -0.03 -0.04 2.02 1.97 2r59A1 PRO 1 HG2 0.02 -0.05 -0.00 -0.04 2.03 1.96 2r59A1 PRO 1 HG3 0.02 0.02 0.01 -0.04 2.03 2.04 2r59A1 PRO 1 HD2 0.02 0.01 0.05 -0.04 3.68 3.71 2r59A1 PRO 1 HD3 0.02 0.03 0.02 -0.04 3.65 3.68 2r59A1 GLU 2 H 0.02 0.13 0.03 -0.55 8.60 8.23 2r59A1 GLU 2 HA 0.02 0.14 0.53 -0.75 4.29 4.23 2r59A1 GLU 2 HB2 0.02 0.03 0.07 -0.04 2.09 2.17 2r59A1 GLU 2 HB3 0.02 -0.01 0.19 -0.04 1.99 2.14 2r59A1 GLU 2 HG2 0.02 0.01 0.01 -0.04 2.34 2.34 2r59A1 GLU 2 HG3 0.02 -0.04 -0.02 -0.04 2.34 2.26 2r59A1 ILE 3 H 0.02 0.49 0.17 -0.55 8.25 8.38 2r59A1 ILE 3 HA 0.05 0.14 0.97 -0.75 4.18 4.59 2r59A1 ILE 3 HB 0.06 -0.03 -0.07 -0.04 1.89 1.82 2r59A1 ILE 3 HG12 0.05 -0.01 -0.28 -0.04 1.49 1.21 2r59A1 ILE 3 HG13 0.10 0.07 -0.02 -0.04 1.21 1.31 2r59A1 ILE 3 HG23 0.01 0.04 0.05 -0.04 0.93 0.99 2r59A1 ILE 3 HD13 0.16 -0.04 -0.05 -0.04 0.88 0.91 2r59A1 VAL 4 H 0.04 0.19 0.08 -0.55 8.24 8.00 2r59A1 VAL 4 HA 0.02 0.23 1.00 -0.75 4.13 4.63 2r59A1 VAL 4 HB 0.03 0.05 -0.13 -0.04 2.12 2.03 2r59A1 VAL 4 HG13 0.02 0.01 -0.03 -0.04 0.97 0.92 2r59A1 VAL 4 HG23 0.03 0.00 -0.03 -0.04 0.95 0.91 2r59A1 ASP 5 H 0.02 0.23 0.12 -0.55 8.40 8.22 2r59A1 ASP 5 HA 0.04 0.06 0.92 -0.75 4.63 4.89 2r59A1 ASP 5 HB2 -0.01 0.10 0.13 -0.04 2.71 2.89 2r59A1 ASP 5 HB3 0.02 0.08 0.23 -0.04 2.70 2.99 2r59A1 THR 6 H 0.07 0.18 0.15 -0.55 8.28 8.14 2r59A1 THR 6 HA 0.05 0.19 0.19 -0.75 4.39 4.06 2r59A1 THR 6 HB 0.06 0.01 0.13 -0.04 4.32 4.48 2r59A1 THR 6 HG23 0.05 0.04 -0.02 -0.04 1.22 1.25 2r59A1 CYS 7 H 0.12 -0.09 -0.43 -0.55 8.50 7.55 2r59A1 CYS 7 HA 0.12 0.21 0.70 -0.75 4.58 4.86 2r59A1 CYS 7 HB2 0.29 -0.05 0.06 -0.04 2.97 3.23 2r59A1 CYS 7 HB3 0.18 0.06 0.18 -0.04 2.97 3.34 2r59A1 SER 8 H 0.06 0.43 -0.17 -0.55 8.46 8.24 2r59A1 SER 8 HA 0.04 0.23 1.00 -0.75 4.49 5.00 2r59A1 SER 8 HB2 0.06 0.11 -0.07 -0.04 3.95 4.02 2r59A1 SER 8 HB3 0.04 0.03 0.09 -0.04 3.93 4.05 2r59A1 LEU 9 H -0.00 0.16 0.12 -0.55 8.37 8.10 2r59A1 LEU 9 HA -0.00 0.20 0.74 -0.75 4.35 4.54 2r59A1 LEU 9 HB2 -0.01 -0.02 -0.09 -0.04 1.64 1.48 2r59A1 LEU 9 HB3 -0.01 -0.02 0.08 -0.04 1.64 1.64 2r59A1 LEU 9 HG -0.04 0.06 -0.11 -0.04 1.64 1.50 2r59A1 LEU 9 HD13 -0.05 -0.01 -0.18 -0.04 0.93 0.65 2r59A1 LEU 9 HD23 -0.04 0.01 -0.18 -0.04 0.89 0.64 2r59A1 ALA 10 H 0.01 -0.08 -0.15 -0.55 8.40 7.63 2r59A1 ALA 10 HA 0.00 0.05 0.16 -0.75 4.34 3.80 2r59A1 ALA 10 HB3 0.00 -0.00 0.14 -0.04 1.41 1.51 2r59A1 SER 11 H 0.00 0.50 0.29 -0.55 8.46 8.70 2r59A1 SER 11 HA 0.01 0.08 0.61 -0.75 4.49 4.43 2r59A1 SER 11 HB2 0.00 0.02 0.13 -0.04 3.95 4.07 2r59A1 SER 11 HB3 0.01 0.04 0.12 -0.04 3.93 4.06 2r59A1 PRO 12 HA 0.00 0.15 0.66 -0.51 4.44 4.74 2r59A1 PRO 12 HB2 0.01 -0.08 0.13 -0.04 2.28 2.29 2r59A1 PRO 12 HB3 0.01 0.04 0.16 -0.04 2.02 2.19 2r59A1 PRO 12 HG2 0.01 -0.06 0.05 -0.04 2.03 1.99 2r59A1 PRO 12 HG3 0.01 0.08 0.08 -0.04 2.03 2.15 2r59A1 PRO 12 HD2 0.01 0.05 0.25 -0.04 3.68 3.95 2r59A1 PRO 12 HD3 0.01 0.26 0.22 -0.04 3.65 4.10 2r59A1 ALA 13 H -0.00 0.13 0.17 -0.55 8.40 8.16 2r59A1 ALA 13 HA 0.00 0.28 0.34 -0.75 4.34 4.21 2r59A1 ALA 13 HB3 -0.00 0.02 0.09 -0.04 1.41 1.47 2r59A1 SER 14 H 0.00 -0.03 -0.44 -0.55 8.46 7.45 2r59A1 SER 14 HA 0.00 0.18 0.47 -0.75 4.49 4.39 2r59A1 SER 14 HB2 0.01 0.04 0.07 -0.04 3.95 4.02 2r59A1 SER 14 HB3 0.00 -0.01 0.04 -0.04 3.93 3.92 2r59A1 VAL 15 H 0.00 0.41 -0.31 -0.55 8.24 7.79 2r59A1 VAL 15 HA 0.00 0.11 0.76 -0.75 4.13 4.25 2r59A1 VAL 15 HB 0.01 0.13 0.13 -0.04 2.12 2.34 2r59A1 VAL 15 HG13 0.01 -0.02 -0.05 -0.04 0.97 0.87 2r59A1 VAL 15 HG23 0.01 -0.03 -0.03 -0.04 0.95 0.86 2r59A1 CYS 16 H 0.00 0.54 0.10 -0.55 8.50 8.59 2r59A1 CYS 16 HA 0.00 0.18 0.66 -0.75 4.58 4.67 2r59A1 CYS 16 HB2 0.01 0.01 -0.14 -0.04 2.97 2.80 2r59A1 CYS 16 HB3 0.01 0.02 -0.17 -0.04 2.97 2.79 2r59A1 ARG 17 H 0.01 0.61 0.25 -0.55 8.46 8.77 2r59A1 ARG 17 HA 0.00 0.14 1.05 -0.75 4.34 4.78 2r59A1 ARG 17 HB2 0.00 -0.02 0.09 -0.04 1.90 1.93 2r59A1 ARG 17 HB3 0.01 0.11 0.00 -0.04 1.80 1.88 2r59A1 ARG 17 HG2 0.00 -0.06 0.01 -0.04 1.67 1.58 2r59A1 ARG 17 HG3 0.00 0.03 -0.23 -0.04 1.67 1.42 2r59A1 ARG 17 HD2 0.00 0.02 0.05 -0.04 3.22 3.25 2r59A1 ARG 17 HD3 0.00 0.02 0.01 -0.04 3.22 3.21 2r59A1 THR 18 H 0.01 0.11 0.12 -0.55 8.28 7.97 2r59A1 THR 18 HA 0.02 0.11 0.82 -0.75 4.39 4.59 2r59A1 THR 18 HB 0.00 0.03 0.04 -0.04 4.32 4.35 2r59A1 THR 18 HG23 0.01 -0.01 -0.13 -0.04 1.22 1.05 2r59A1 LYS 19 H 0.04 0.74 0.49 -0.55 8.42 9.14 2r59A1 LYS 19 HA 0.04 0.24 0.83 -0.75 4.32 4.68 2r59A1 LYS 19 HB2 0.05 -0.01 0.10 -0.04 1.87 1.97 2r59A1 LYS 19 HB3 0.05 -0.03 0.03 -0.04 1.79 1.79 2r59A1 LYS 19 HG2 0.02 -0.03 -0.03 -0.04 1.46 1.37 2r59A1 LYS 19 HG3 0.01 -0.03 -0.03 -0.04 1.46 1.37 2r59A1 LYS 19 HD2 0.02 0.12 -0.09 -0.04 1.69 1.70 2r59A1 LYS 19 HD3 0.01 -0.00 -0.08 -0.04 1.68 1.56 2r59A1 LYS 19 HE2 -0.00 -0.04 0.00 -0.04 2.99 2.90 2r59A1 LYS 19 HE3 0.00 0.01 0.05 -0.04 2.99 3.01 2r59A1 HIS 20 H 0.10 0.28 0.34 -0.55 8.41 8.58 2r59A1 HIS 20 HA 0.06 0.38 0.85 -0.75 4.63 5.16 2r59A1 HIS 20 HB2 0.02 0.06 -0.23 -0.04 3.26 3.08 2r59A1 HIS 20 HB3 0.03 -0.13 -0.02 -0.04 3.20 3.03 2r59A1 HIS 20 HD2 0.08 -0.08 -0.34 -0.04 6.97 6.58 2r59A1 HIS 20 HE1 0.04 0.02 -0.25 -0.04 7.75 7.52 2r59A1 LEU 21 H -0.48 0.58 0.37 -0.55 8.37 8.29 2r59A1 LEU 21 HA 0.00 0.26 1.00 -0.75 4.35 4.86 2r59A1 LEU 21 HB2 -0.07 -0.01 -0.03 -0.04 1.64 1.49 2r59A1 LEU 21 HB3 -0.09 0.06 0.11 -0.04 1.64 1.68 2r59A1 LEU 21 HG -0.06 -0.02 -0.44 -0.04 1.64 1.07 2r59A1 LEU 21 HD13 -0.04 0.01 -0.17 -0.04 0.93 0.69 2r59A1 LEU 21 HD23 -0.22 -0.00 -0.13 -0.04 0.89 0.49 2r59A1 HIS 22 H 0.15 0.67 0.27 -0.55 8.41 8.95 2r59A1 HIS 22 HA 0.08 0.29 0.99 -0.75 4.63 5.24 2r59A1 HIS 22 HB2 0.23 -0.01 0.02 -0.04 3.26 3.47 2r59A1 HIS 22 HB3 0.11 -0.06 0.15 -0.04 3.20 3.36 2r59A1 HIS 22 HD2 0.07 -0.05 -0.11 -0.04 6.97 6.83 2r59A1 HIS 22 HE1 0.08 0.00 -0.17 -0.04 7.75 7.61 2r59A1 LEU 23 H -0.07 0.67 0.29 -0.55 8.37 8.72 2r59A1 LEU 23 HA -0.04 0.21 0.85 -0.75 4.35 4.61 2r59A1 LEU 23 HB2 -0.07 -0.01 -0.03 -0.04 1.64 1.49 2r59A1 LEU 23 HB3 -0.02 -0.01 0.18 -0.04 1.64 1.74 2r59A1 LEU 23 HG 0.00 -0.05 -0.32 -0.04 1.64 1.23 2r59A1 LEU 23 HD13 0.12 0.06 -0.12 -0.04 0.93 0.96 2r59A1 LEU 23 HD23 -0.06 -0.01 -0.18 -0.04 0.89 0.60 2r59A1 ARG 24 H -0.07 0.78 0.36 -0.55 8.46 8.98 2r59A1 ARG 24 HA -0.07 0.20 0.93 -0.75 4.34 4.66 2r59A1 ARG 24 HB2 -0.05 -0.08 0.24 -0.04 1.90 1.96 2r59A1 ARG 24 HB3 -0.03 0.01 0.09 -0.04 1.80 1.83 2r59A1 ARG 24 HG2 -0.37 0.08 -0.24 -0.04 1.67 1.10 2r59A1 ARG 24 HG3 -0.21 -0.00 -0.19 -0.04 1.67 1.22 2r59A1 ARG 24 HD2 0.04 0.02 -0.02 -0.04 3.22 3.21 2r59A1 ARG 24 HD3 0.23 -0.01 -0.09 -0.04 3.22 3.31 2r59A1 CYS 25 H 0.00 0.62 0.35 -0.55 8.50 8.92 2r59A1 CYS 25 HA -0.08 0.30 0.98 -0.75 4.58 5.03 2r59A1 CYS 25 HB2 -0.06 -0.02 -0.09 -0.04 2.97 2.76 2r59A1 CYS 25 HB3 -0.01 0.01 -0.39 -0.04 2.97 2.55 2r59A1 SER 26 H -0.06 0.55 0.41 -0.55 8.46 8.82 2r59A1 SER 26 HA 0.02 0.16 0.98 -0.75 4.49 4.89 2r59A1 SER 26 HB2 -0.01 -0.01 -0.01 -0.04 3.95 3.88 2r59A1 SER 26 HB3 -0.03 -0.02 0.13 -0.04 3.93 3.97 2r59A1 VAL 27 H 0.03 0.71 0.31 -0.55 8.24 8.74 2r59A1 VAL 27 HA 0.03 0.14 0.84 -0.75 4.13 4.40 2r59A1 VAL 27 HB -0.00 0.00 0.18 -0.04 2.12 2.26 2r59A1 VAL 27 HG13 -0.44 -0.02 -0.20 -0.04 0.97 0.27 2r59A1 VAL 27 HG23 -0.05 0.01 -0.15 -0.04 0.95 0.72 2r59A1 ASP 28 H 0.02 0.83 0.29 -0.55 8.40 9.00 2r59A1 ASP 28 HA 0.03 0.14 0.89 -0.75 4.63 4.93 2r59A1 ASP 28 HB2 -0.04 0.08 -0.06 -0.04 2.71 2.65 2r59A1 ASP 28 HB3 -0.11 0.04 0.23 -0.04 2.70 2.81 2r59A1 PHE 29 H 0.27 0.24 0.12 -0.55 8.34 8.42 2r59A1 PHE 29 HA 0.03 0.12 0.32 -0.75 4.62 4.34 2r59A1 PHE 29 HB2 0.10 -0.02 0.10 -0.04 3.15 3.29 2r59A1 PHE 29 HB3 0.12 0.06 0.01 -0.04 3.06 3.21 2r59A1 PHE 29 HD2 0.30 0.03 -0.01 -0.04 7.28 7.56 2r59A1 PHE 29 HE2 0.11 0.00 -0.20 -0.04 7.38 7.25 2r59A1 PHE 29 HZ -0.03 0.04 -0.16 -0.04 7.32 7.14 2r59A1 THR 30 H 0.07 0.03 -0.09 -0.55 8.28 7.74 2r59A1 THR 30 HA 0.01 0.14 0.49 -0.75 4.39 4.27 2r59A1 THR 30 HB -0.01 0.06 0.08 -0.04 4.32 4.41 2r59A1 THR 30 HG23 0.05 -0.01 0.04 -0.04 1.22 1.27 2r59A1 ARG 31 H -0.13 -0.01 -0.28 -0.55 8.46 7.48 2r59A1 ARG 31 HA -0.16 0.22 0.70 -0.75 4.34 4.34 2r59A1 ARG 31 HB2 -0.15 -0.06 0.01 -0.04 1.90 1.65 2r59A1 ARG 31 HB3 -0.16 0.06 -0.05 -0.04 1.80 1.61 2r59A1 ARG 31 HG2 -0.09 0.06 -0.05 -0.04 1.67 1.55 2r59A1 ARG 31 HG3 -0.08 -0.10 -0.17 -0.04 1.67 1.29 2r59A1 ARG 31 HD2 -0.05 -0.01 -0.05 -0.04 3.22 3.07 2r59A1 ARG 31 HD3 -0.07 -0.03 -0.04 -0.04 3.22 3.04 2r59A1 ARG 32 H -0.56 0.18 -0.17 -0.55 8.46 7.35 2r59A1 ARG 32 HA -2.58 -0.03 0.28 -0.75 4.34 1.26 2r59A1 ARG 32 HB2 -0.60 0.22 -0.08 -0.04 1.90 1.39 2r59A1 ARG 32 HB3 -1.32 -0.01 0.29 -0.04 1.80 0.71 2r59A1 ARG 32 HG2 -0.95 -0.07 0.02 -0.04 1.67 0.63 2r59A1 ARG 32 HG3 -0.45 0.09 -0.18 -0.04 1.67 1.09 2r59A1 ARG 32 HD2 -0.24 -0.01 -0.03 -0.04 3.22 2.90 2r59A1 ARG 32 HD3 -0.32 0.05 0.05 -0.04 3.22 2.96 2r59A1 THR 33 H -0.50 0.27 0.08 -0.55 8.28 7.58 2r59A1 THR 33 HA -0.02 0.26 0.71 -0.75 4.39 4.58 2r59A1 THR 33 HB -0.05 0.06 0.00 -0.04 4.32 4.29 2r59A1 THR 33 HG23 -0.14 0.05 -0.30 -0.04 1.22 0.79 2r59A1 LEU 34 H 0.15 0.21 0.17 -0.55 8.37 8.34 2r59A1 LEU 34 HA 0.05 0.23 0.94 -0.75 4.35 4.81 2r59A1 LEU 34 HB2 0.15 0.01 0.13 -0.04 1.64 1.89 2r59A1 LEU 34 HB3 0.06 0.05 -0.07 -0.04 1.64 1.64 2r59A1 LEU 34 HG 0.01 -0.00 -0.09 -0.04 1.64 1.52 2r59A1 LEU 34 HD13 0.07 0.00 -0.21 -0.04 0.93 0.75 2r59A1 LEU 34 HD23 0.01 0.01 -0.15 -0.04 0.89 0.71 2r59A1 THR 35 H -0.09 0.59 0.33 -0.55 8.28 8.56 2r59A1 THR 35 HA -0.34 0.29 1.20 -0.75 4.39 4.79 2r59A1 THR 35 HB -0.10 -0.06 0.13 -0.04 4.32 4.25 2r59A1 THR 35 HG23 -0.14 0.01 -0.04 -0.04 1.22 1.01 2r59A1 GLY 36 H -0.78 0.67 0.37 -0.55 8.43 8.15 2r59A1 GLY 36 HA2 -0.18 -0.05 0.21 -0.51 4.01 3.48 2r59A1 GLY 36 HA3 -0.20 0.31 1.14 -0.51 4.01 4.76 2r59A1 THR 37 H -0.05 0.68 0.44 -0.55 8.28 8.80 2r59A1 THR 37 HA 0.13 0.39 1.19 -0.75 4.39 5.36 2r59A1 THR 37 HB 0.05 -0.03 -0.10 -0.04 4.32 4.20 2r59A1 THR 37 HG23 -0.00 -0.02 -0.20 -0.04 1.22 0.96 2r59A1 ALA 38 H 0.21 0.60 0.36 -0.55 8.40 9.02 2r59A1 ALA 38 HA 0.05 0.16 0.81 -0.75 4.34 4.61 2r59A1 ALA 38 HB3 -0.05 0.01 0.08 -0.04 1.41 1.41 2r59A1 ALA 39 H 0.06 0.74 0.23 -0.55 8.40 8.88 2r59A1 ALA 39 HA 0.05 0.28 1.00 -0.75 4.34 4.92 2r59A1 ALA 39 HB3 0.12 -0.03 0.05 -0.04 1.41 1.51 2r59A1 LEU 40 H 0.03 0.69 0.32 -0.55 8.37 8.85 2r59A1 LEU 40 HA 0.04 0.30 1.05 -0.75 4.35 4.98 2r59A1 LEU 40 HB2 0.01 -0.06 0.14 -0.04 1.64 1.68 2r59A1 LEU 40 HB3 0.01 -0.00 -0.01 -0.04 1.64 1.59 2r59A1 LEU 40 HG -0.02 0.06 -0.09 -0.04 1.64 1.55 2r59A1 LEU 40 HD13 -0.04 0.03 -0.08 -0.04 0.93 0.80 2r59A1 LEU 40 HD23 -0.03 0.02 -0.08 -0.04 0.89 0.75 2r59A1 THR 41 H 0.10 0.68 0.33 -0.55 8.28 8.84 2r59A1 THR 41 HA 0.05 0.23 0.96 -0.75 4.39 4.86 2r59A1 THR 41 HB 0.11 -0.11 0.23 -0.04 4.32 4.51 2r59A1 THR 41 HG23 0.02 0.01 -0.15 -0.04 1.22 1.06 2r59A1 VAL 42 H 0.02 0.70 0.35 -0.55 8.24 8.77 2r59A1 VAL 42 HA 0.02 0.18 0.94 -0.75 4.13 4.51 2r59A1 VAL 42 HB 0.01 -0.00 0.02 -0.04 2.12 2.11 2r59A1 VAL 42 HG13 0.01 -0.01 -0.34 -0.04 0.97 0.59 2r59A1 VAL 42 HG23 0.01 -0.00 -0.30 -0.04 0.95 0.61 2r59A1 GLN 43 H 0.01 0.72 0.31 -0.55 8.47 8.96 2r59A1 GLN 43 HA 0.01 0.29 0.94 -0.75 4.36 4.85 2r59A1 GLN 43 HB2 0.01 -0.05 -0.02 -0.04 2.15 2.05 2r59A1 GLN 43 HB3 0.01 0.02 0.15 -0.04 2.02 2.16 2r59A1 GLN 43 HG2 0.00 0.11 -0.23 -0.04 2.40 2.25 2r59A1 GLN 43 HG3 0.00 0.10 -0.26 -0.04 2.39 2.18 2r59A1 GLN 43 HE21 -0.00 -0.01 -0.01 -0.04 6.97 6.91 2r59A1 GLN 43 HE22 -0.00 -0.00 -0.07 -0.04 7.69 7.57 2r59A1 SER 44 H 0.00 0.65 0.23 -0.55 8.46 8.79 2r59A1 SER 44 HA 0.00 0.06 0.62 -0.75 4.49 4.42 2r59A1 SER 44 HB2 0.01 -0.02 0.11 -0.04 3.95 4.01 2r59A1 SER 44 HB3 0.00 0.05 0.17 -0.04 3.93 4.11 2r59A1 GLN 45 H 0.00 0.80 0.28 -0.55 8.47 9.01 2r59A1 GLN 45 HA 0.00 0.09 0.86 -0.75 4.36 4.56 2r59A1 GLN 45 HB2 0.00 0.07 -0.59 -0.04 2.15 1.59 2r59A1 GLN 45 HB3 0.00 -0.04 0.05 -0.04 2.02 1.99 2r59A1 GLN 45 HG2 0.00 -0.08 -0.35 -0.04 2.40 1.93 2r59A1 GLN 45 HG3 0.00 0.32 -0.21 -0.04 2.39 2.47 2r59A1 GLN 45 HE21 -0.00 -0.04 -0.02 -0.04 6.97 6.87 2r59A1 GLN 45 HE22 0.00 0.00 0.00 -0.04 7.69 7.66 2r59A1 GLU 46 H 0.00 0.11 -0.02 -0.55 8.60 8.14 2r59A1 GLU 46 HA 0.00 0.14 0.88 -0.75 4.29 4.56 2r59A1 GLU 46 HB2 0.00 -0.02 0.09 -0.04 2.09 2.13 2r59A1 GLU 46 HB3 0.00 0.15 -0.10 -0.04 1.99 2.00 2r59A1 GLU 46 HG2 0.00 -0.03 0.08 -0.04 2.34 2.35 2r59A1 GLU 46 HG3 0.00 0.17 -0.13 -0.04 2.34 2.35 2r59A1 ASP 47 H 0.00 0.14 0.14 -0.55 8.40 8.13 2r59A1 ASP 47 HA 0.00 -0.00 0.87 -0.75 4.63 4.75 2r59A1 ASP 47 HB2 0.00 0.00 0.17 -0.04 2.71 2.84 2r59A1 ASP 47 HB3 0.00 0.03 0.08 -0.04 2.70 2.78 2r59A1 ASN 48 H 0.00 0.13 0.20 -0.55 8.53 8.32 2r59A1 ASN 48 HA 0.00 0.00 0.23 -0.75 4.76 4.24 2r59A1 ASN 48 HB2 0.00 -0.06 -0.09 -0.04 2.88 2.69 2r59A1 ASN 48 HB3 0.00 0.13 -0.13 -0.04 2.79 2.76 2r59A1 ASN 48 HD21 0.00 -0.01 0.01 -0.04 7.03 6.99 2r59A1 ASN 48 HD22 0.00 0.01 0.01 -0.04 7.74 7.73 2r59A1 LEU 49 H 0.00 0.49 0.02 -0.55 8.37 8.33 2r59A1 LEU 49 HA 0.01 0.08 0.49 -0.75 4.35 4.17 2r59A1 LEU 49 HB2 0.01 0.09 0.00 -0.04 1.64 1.70 2r59A1 LEU 49 HB3 0.01 -0.06 0.14 -0.04 1.64 1.69 2r59A1 LEU 49 HG 0.01 -0.05 -0.25 -0.04 1.64 1.30 2r59A1 LEU 49 HD13 0.01 0.02 0.07 -0.04 0.93 0.98 2r59A1 LEU 49 HD23 0.01 -0.00 -0.06 -0.04 0.89 0.80 2r59A1 ARG 50 H 0.01 0.10 0.27 -0.55 8.46 8.28 2r59A1 ARG 50 HA 0.01 0.20 0.91 -0.75 4.34 4.71 2r59A1 ARG 50 HB2 0.01 0.01 0.04 -0.04 1.90 1.91 2r59A1 ARG 50 HB3 0.01 0.01 0.07 -0.04 1.80 1.85 2r59A1 ARG 50 HG2 0.01 -0.03 -0.15 -0.04 1.67 1.45 2r59A1 ARG 50 HG3 0.01 0.08 -0.49 -0.04 1.67 1.23 2r59A1 ARG 50 HD2 0.01 0.02 -0.02 -0.04 3.22 3.19 2r59A1 ARG 50 HD3 0.01 -0.01 -0.04 -0.04 3.22 3.14 2r59A1 SER 51 H 0.01 0.15 0.23 -0.55 8.46 8.30 2r59A1 SER 51 HA 0.02 0.20 0.52 -0.75 4.49 4.48 2r59A1 SER 51 HB2 0.02 0.04 0.05 -0.04 3.95 4.01 2r59A1 SER 51 HB3 0.02 0.08 0.08 -0.04 3.93 4.06 2r59A1 LEU 52 H 0.02 0.61 0.33 -0.55 8.37 8.79 2r59A1 LEU 52 HA 0.01 0.13 0.46 -0.75 4.35 4.20 2r59A1 LEU 52 HB2 0.01 -0.03 0.06 -0.04 1.64 1.64 2r59A1 LEU 52 HB3 0.01 0.11 -0.02 -0.04 1.64 1.70 2r59A1 LEU 52 HG 0.01 0.02 -0.12 -0.04 1.64 1.50 2r59A1 LEU 52 HD13 0.00 0.00 -0.31 -0.04 0.93 0.58 2r59A1 LEU 52 HD23 0.01 0.01 -0.22 -0.04 0.89 0.65 2r59A1 VAL 53 H 0.01 0.16 0.22 -0.55 8.24 8.08 2r59A1 VAL 53 HA 0.01 0.40 0.99 -0.75 4.13 4.78 2r59A1 VAL 53 HB 0.01 -0.08 0.05 -0.04 2.12 2.06 2r59A1 VAL 53 HG13 0.01 0.02 -0.19 -0.04 0.97 0.76 2r59A1 VAL 53 HG23 0.01 -0.01 -0.20 -0.04 0.95 0.72 2r59A1 LEU 54 H -0.00 0.64 0.34 -0.55 8.37 8.80 2r59A1 LEU 54 HA -0.01 0.10 0.84 -0.75 4.35 4.53 2r59A1 LEU 54 HB2 -0.03 0.03 0.02 -0.04 1.64 1.61 2r59A1 LEU 54 HB3 -0.04 0.04 -0.03 -0.04 1.64 1.56 2r59A1 LEU 54 HG -0.02 -0.00 -0.26 -0.04 1.64 1.31 2r59A1 LEU 54 HD13 -0.05 0.02 -0.22 -0.04 0.93 0.64 2r59A1 LEU 54 HD23 -0.02 -0.00 -0.25 -0.04 0.89 0.58 2r59A1 ASP 55 H -0.02 0.60 0.39 -0.55 8.40 8.82 2r59A1 ASP 55 HA -0.02 0.09 0.62 -0.75 4.63 4.57 2r59A1 ASP 55 HB2 -0.01 0.04 0.29 -0.04 2.71 2.99 2r59A1 ASP 55 HB3 -0.01 0.12 0.07 -0.04 2.70 2.83 2r59A1 THR 56 H -0.02 0.44 0.28 -0.55 8.28 8.43 2r59A1 THR 56 HA -0.05 0.25 0.61 -0.75 4.39 4.45 2r59A1 THR 56 HB -0.02 -0.07 -0.00 -0.04 4.32 4.18 2r59A1 THR 56 HG23 -0.05 -0.01 -0.23 -0.04 1.22 0.88 2r59A1 LYS 57 H -0.01 0.56 0.03 -0.55 8.42 8.44 2r59A1 LYS 57 HA 0.00 -0.03 0.65 -0.75 4.32 4.19 2r59A1 LYS 57 HB2 0.01 0.10 -0.27 -0.04 1.87 1.67 2r59A1 LYS 57 HB3 0.03 -0.05 -0.08 -0.04 1.79 1.65 2r59A1 LYS 57 HG2 0.04 -0.02 -0.13 -0.04 1.46 1.31 2r59A1 LYS 57 HG3 0.02 -0.03 0.02 -0.04 1.46 1.43 2r59A1 LYS 57 HD2 0.05 0.17 -0.11 -0.04 1.69 1.76 2r59A1 LYS 57 HD3 0.09 -0.10 -0.02 -0.04 1.68 1.61 2r59A1 LYS 57 HE2 0.07 -0.03 -0.02 -0.04 2.99 2.98 2r59A1 LYS 57 HE3 0.08 0.02 0.01 -0.04 2.99 3.05 2r59A1 ASP 58 H 0.02 0.13 0.08 -0.55 8.40 8.07 2r59A1 ASP 58 HA 0.02 0.04 0.30 -0.75 4.63 4.24 2r59A1 ASP 58 HB2 0.03 0.16 -0.04 -0.04 2.71 2.82 2r59A1 ASP 58 HB3 0.02 -0.04 0.20 -0.04 2.70 2.85 2r59A1 LEU 59 H 0.02 -0.00 -0.24 -0.55 8.37 7.60 2r59A1 LEU 59 HA 0.08 0.29 0.96 -0.75 4.35 4.92 2r59A1 LEU 59 HB2 0.01 -0.10 -0.10 -0.04 1.64 1.42 2r59A1 LEU 59 HB3 0.08 0.04 -0.18 -0.04 1.64 1.55 2r59A1 LEU 59 HG -0.01 -0.16 -0.19 -0.04 1.64 1.23 2r59A1 LEU 59 HD13 -0.19 -0.01 -0.32 -0.04 0.93 0.38 2r59A1 LEU 59 HD23 0.07 0.01 -0.45 -0.04 0.89 0.48 2r59A1 THR 60 H 0.09 0.75 0.27 -0.55 8.28 8.84 2r59A1 THR 60 HA 0.05 0.10 0.79 -0.75 4.39 4.58 2r59A1 THR 60 HB 0.03 -0.03 0.13 -0.04 4.32 4.41 2r59A1 THR 60 HG23 0.03 -0.00 -0.17 -0.04 1.22 1.04 2r59A1 ILE 61 H 0.08 0.19 0.08 -0.55 8.25 8.05 2r59A1 ILE 61 HA 0.04 0.23 0.85 -0.75 4.18 4.54 2r59A1 ILE 61 HB 0.05 -0.02 0.06 -0.04 1.89 1.94 2r59A1 ILE 61 HG12 0.04 0.02 -0.11 -0.04 1.49 1.39 2r59A1 ILE 61 HG13 -0.06 -0.01 -0.11 -0.04 1.21 0.98 2r59A1 ILE 61 HG23 -0.49 -0.00 -0.16 -0.04 0.93 0.24 2r59A1 ILE 61 HD13 -0.02 0.00 -0.25 -0.04 0.88 0.57 2r59A1 GLU 62 H 0.02 0.47 0.16 -0.55 8.60 8.71 2r59A1 GLU 62 HA 0.06 0.11 0.76 -0.75 4.29 4.46 2r59A1 GLU 62 HB2 0.01 -0.01 -0.00 -0.04 2.09 2.04 2r59A1 GLU 62 HB3 0.00 -0.02 0.05 -0.04 1.99 1.98 2r59A1 GLU 62 HG2 0.02 -0.02 -0.30 -0.04 2.34 2.01 2r59A1 GLU 62 HG3 0.03 -0.00 -0.00 -0.04 2.34 2.32 2r59A1 LYS 63 H -0.03 0.39 0.25 -0.55 8.42 8.47 2r59A1 LYS 63 HA 0.11 0.13 0.57 -0.75 4.32 4.37 2r59A1 LYS 63 HB2 0.06 -0.02 0.04 -0.04 1.87 1.90 2r59A1 LYS 63 HB3 0.06 0.19 -0.16 -0.04 1.79 1.84 2r59A1 LYS 63 HG2 0.02 -0.06 -0.20 -0.04 1.46 1.18 2r59A1 LYS 63 HG3 0.01 -0.06 -0.22 -0.04 1.46 1.15 2r59A1 LYS 63 HD2 0.03 0.00 -0.17 -0.04 1.69 1.50 2r59A1 LYS 63 HD3 0.03 0.04 -0.11 -0.04 1.68 1.59 2r59A1 LYS 63 HE2 0.01 0.01 -0.10 -0.04 2.99 2.87 2r59A1 LYS 63 HE3 0.01 -0.04 -0.12 -0.04 2.99 2.80 2r59A1 VAL 64 H 0.05 0.26 0.20 -0.55 8.24 8.20 2r59A1 VAL 64 HA -0.04 0.34 1.01 -0.75 4.13 4.68 2r59A1 VAL 64 HB 0.03 0.04 0.08 -0.04 2.12 2.23 2r59A1 VAL 64 HG13 -0.01 -0.00 -0.24 -0.04 0.97 0.67 2r59A1 VAL 64 HG23 -0.36 -0.01 -0.21 -0.04 0.95 0.33 2r59A1 VAL 65 H 0.01 0.75 0.32 -0.55 8.24 8.77 2r59A1 VAL 65 HA 0.03 0.40 0.92 -0.75 4.13 4.73 2r59A1 VAL 65 HB 0.02 -0.03 0.07 -0.04 2.12 2.14 2r59A1 VAL 65 HG13 0.02 -0.02 -0.35 -0.04 0.97 0.58 2r59A1 VAL 65 HG23 0.02 -0.01 -0.32 -0.04 0.95 0.60 2r59A1 ILE 66 H 0.03 0.72 0.27 -0.55 8.25 8.72 2r59A1 ILE 66 HA 0.02 0.21 0.88 -0.75 4.18 4.53 2r59A1 ILE 66 HB 0.02 0.05 0.10 -0.04 1.89 2.02 2r59A1 ILE 66 HG12 0.02 0.06 0.00 -0.04 1.49 1.53 2r59A1 ILE 66 HG13 0.02 -0.07 -0.43 -0.04 1.21 0.69 2r59A1 ILE 66 HG23 0.02 0.02 -0.01 -0.04 0.93 0.91 2r59A1 ILE 66 HD13 0.02 0.01 -0.12 -0.04 0.88 0.76 2r59A1 ASN 67 H 0.02 0.21 0.18 -0.55 8.53 8.38 2r59A1 ASN 67 HA 0.01 0.03 0.36 -0.75 4.76 4.41 2r59A1 ASN 67 HB2 0.01 0.17 0.07 -0.04 2.88 3.09 2r59A1 ASN 67 HB3 0.01 0.01 0.22 -0.04 2.79 2.99 2r59A1 ASN 67 HD21 0.01 0.01 -0.04 -0.04 7.03 6.97 2r59A1 ASN 67 HD22 0.01 0.05 -0.08 -0.04 7.74 7.68 2r59A1 GLY 68 H 0.02 0.03 -0.30 -0.55 8.43 7.63 2r59A1 GLY 68 HA2 0.02 -0.02 0.20 -0.51 4.01 3.69 2r59A1 GLY 68 HA3 0.01 0.08 0.28 -0.51 4.01 3.87 2r59A1 GLN 69 H 0.02 0.48 -0.35 -0.55 8.47 8.08 2r59A1 GLN 69 HA 0.02 0.15 1.01 -0.75 4.36 4.78 2r59A1 GLN 69 HB2 0.02 0.05 -0.02 -0.04 2.15 2.15 2r59A1 GLN 69 HB3 0.02 -0.00 0.07 -0.04 2.02 2.07 2r59A1 GLN 69 HG2 0.01 0.16 -0.15 -0.04 2.40 2.38 2r59A1 GLN 69 HG3 0.01 -0.03 -0.01 -0.04 2.39 2.32 2r59A1 GLN 69 HE21 0.01 -0.05 -0.01 -0.04 6.97 6.87 2r59A1 GLN 69 HE22 0.01 0.02 -0.02 -0.04 7.69 7.66 2r59A1 GLU 70 H 0.03 0.09 0.18 -0.55 8.60 8.35 2r59A1 GLU 70 HA 0.05 0.26 0.70 -0.75 4.29 4.54 2r59A1 GLU 70 HB2 0.04 -0.04 0.14 -0.04 2.09 2.18 2r59A1 GLU 70 HB3 0.07 0.06 0.10 -0.04 1.99 2.18 2r59A1 GLU 70 HG2 0.05 -0.02 -0.06 -0.04 2.34 2.27 2r59A1 GLU 70 HG3 0.03 -0.07 -0.04 -0.04 2.34 2.22 2r59A1 VAL 71 H 0.08 0.49 0.43 -0.55 8.24 8.69 2r59A1 VAL 71 HA 0.04 0.12 0.86 -0.75 4.13 4.40 2r59A1 VAL 71 HB 0.05 0.20 0.14 -0.04 2.12 2.48 2r59A1 VAL 71 HG13 0.03 -0.01 -0.05 -0.04 0.97 0.90 2r59A1 VAL 71 HG23 0.07 0.02 -0.19 -0.04 0.95 0.81 2r59A1 LYS 72 H 0.04 0.14 0.17 -0.55 8.42 8.21 2r59A1 LYS 72 HA 0.01 0.08 0.67 -0.75 4.32 4.32 2r59A1 LYS 72 HB2 0.02 -0.01 0.14 -0.04 1.87 1.97 2r59A1 LYS 72 HB3 -0.02 0.03 -0.07 -0.04 1.79 1.70 2r59A1 LYS 72 HG2 -0.02 -0.01 0.02 -0.04 1.46 1.42 2r59A1 LYS 72 HG3 -0.04 0.03 0.06 -0.04 1.46 1.47 2r59A1 LYS 72 HD2 0.01 -0.03 -0.02 -0.04 1.69 1.61 2r59A1 LYS 72 HD3 0.01 0.02 0.06 -0.04 1.68 1.73 2r59A1 LYS 72 HE2 -0.01 0.00 -0.01 -0.04 2.99 2.94 2r59A1 LYS 72 HE3 0.00 0.01 0.01 -0.04 2.99 2.97 2r59A1 TYR 73 H -0.22 0.29 0.29 -0.55 8.29 8.10 2r59A1 TYR 73 HA 0.00 0.25 0.82 -0.75 4.56 4.88 2r59A1 TYR 73 HB2 0.01 0.04 -0.02 -0.04 3.06 3.05 2r59A1 TYR 73 HB3 0.01 -0.00 -0.18 -0.04 2.98 2.77 2r59A1 TYR 73 HD2 0.01 0.06 -0.19 -0.04 7.15 7.00 2r59A1 TYR 73 HE2 0.01 -0.00 -0.07 -0.04 6.85 6.74 2r59A1 ALA 74 H 0.12 0.58 0.30 -0.55 8.40 8.85 2r59A1 ALA 74 HA -0.10 0.12 0.73 -0.75 4.34 4.34 2r59A1 ALA 74 HB3 -0.02 0.01 -0.02 -0.04 1.41 1.33 2r59A1 LEU 75 H 0.03 0.17 0.15 -0.55 8.37 8.17 2r59A1 LEU 75 HA 0.07 0.27 1.01 -0.75 4.35 4.94 2r59A1 LEU 75 HB2 0.06 -0.05 0.14 -0.04 1.64 1.75 2r59A1 LEU 75 HB3 0.05 0.10 0.04 -0.04 1.64 1.78 2r59A1 LEU 75 HG 0.22 -0.09 -0.11 -0.04 1.64 1.61 2r59A1 LEU 75 HD13 0.11 -0.01 0.02 -0.04 0.93 1.01 2r59A1 LEU 75 HD23 0.06 0.01 -0.09 -0.04 0.89 0.83 2r59A1 GLY 76 H 0.02 0.68 0.23 -0.55 8.43 8.81 2r59A1 GLY 76 HA2 0.01 0.04 0.57 -0.51 4.01 4.12 2r59A1 GLY 76 HA3 0.01 0.03 0.35 -0.51 4.01 3.88 2r59A1 GLU 77 H -0.00 0.06 0.13 -0.55 8.60 8.24 2r59A1 GLU 77 HA -0.00 0.04 0.49 -0.75 4.29 4.07 2r59A1 GLU 77 HB2 -0.00 0.08 0.05 -0.04 2.09 2.17 2r59A1 GLU 77 HB3 -0.00 -0.01 0.11 -0.04 1.99 2.05 2r59A1 GLU 77 HG2 -0.01 -0.09 0.14 -0.04 2.34 2.34 2r59A1 GLU 77 HG3 -0.01 0.07 -0.04 -0.04 2.34 2.32 2r59A1 ARG 78 H -0.00 0.06 0.14 -0.55 8.46 8.11 2r59A1 ARG 78 HA -0.02 0.11 0.25 -0.75 4.34 3.93 2r59A1 ARG 78 HB2 -0.00 0.00 0.09 -0.04 1.90 1.95 2r59A1 ARG 78 HB3 -0.00 -0.04 0.13 -0.04 1.80 1.84 2r59A1 ARG 78 HG2 -0.01 -0.08 -0.07 -0.04 1.67 1.47 2r59A1 ARG 78 HG3 -0.03 0.07 -0.09 -0.04 1.67 1.59 2r59A1 ARG 78 HD2 -0.00 -0.08 -0.01 -0.04 3.22 3.09 2r59A1 ARG 78 HD3 0.01 -0.01 0.01 -0.04 3.22 3.19 2r59A1 GLN 79 H -0.06 0.85 0.20 -0.55 8.47 8.92 2r59A1 GLN 79 HA -0.05 0.13 0.89 -0.75 4.36 4.58 2r59A1 GLN 79 HB2 -0.10 0.09 0.18 -0.04 2.15 2.29 2r59A1 GLN 79 HB3 -0.11 -0.08 0.12 -0.04 2.02 1.92 2r59A1 GLN 79 HG2 -0.04 -0.03 -0.01 -0.04 2.40 2.28 2r59A1 GLN 79 HG3 -0.04 0.20 -0.17 -0.04 2.39 2.35 2r59A1 GLN 79 HE21 -0.02 -0.04 0.01 -0.04 6.97 6.88 2r59A1 GLN 79 HE22 -0.02 0.07 0.01 -0.04 7.69 7.71 2r59A1 SER 80 H -0.03 0.21 -0.13 -0.55 8.46 7.97 2r59A1 SER 80 HA -0.00 0.06 0.25 -0.75 4.49 4.04 2r59A1 SER 80 HB2 0.08 0.05 0.12 -0.04 3.95 4.17 2r59A1 SER 80 HB3 0.03 0.05 0.12 -0.04 3.93 4.08 2r59A1 TYR 81 H 0.09 0.14 0.21 -0.55 8.29 8.18 2r59A1 TYR 81 HA 0.01 0.08 0.30 -0.75 4.56 4.20 2r59A1 TYR 81 HB2 -0.02 -0.00 0.15 -0.04 3.06 3.15 2r59A1 TYR 81 HB3 0.00 -0.00 0.14 -0.04 2.98 3.08 2r59A1 TYR 81 HD2 -0.03 0.00 -0.04 -0.04 7.15 7.04 2r59A1 TYR 81 HE2 -0.01 0.06 -0.11 -0.04 6.85 6.75 2r59A1 LYS 82 H -0.60 0.40 -0.23 -0.55 8.42 7.43 2r59A1 LYS 82 HA -0.17 0.11 0.70 -0.75 4.32 4.20 2r59A1 LYS 82 HB2 -0.30 0.18 0.12 -0.04 1.87 1.83 2r59A1 LYS 82 HB3 -0.16 -0.07 0.05 -0.04 1.79 1.57 2r59A1 LYS 82 HG2 -0.22 0.06 0.05 -0.04 1.46 1.31 2r59A1 LYS 82 HG3 -1.18 -0.12 0.01 -0.04 1.46 0.13 2r59A1 LYS 82 HD2 -0.18 0.00 -0.01 -0.04 1.69 1.47 2r59A1 LYS 82 HD3 -0.07 0.04 -0.10 -0.04 1.68 1.50 2r59A1 LYS 82 HE2 0.06 -0.04 0.05 -0.04 2.99 3.02 2r59A1 LYS 82 HE3 -0.16 -0.05 0.03 -0.04 2.99 2.77 2r59A1 GLY 83 H -0.10 0.31 -0.33 -0.55 8.43 7.77 2r59A1 GLY 83 HA2 -0.02 -0.06 0.34 -0.51 4.01 3.76 2r59A1 GLY 83 HA3 -0.02 0.31 0.74 -0.51 4.01 4.52 2r59A1 SER 84 H -0.01 0.43 0.26 -0.55 8.46 8.59 2r59A1 SER 84 HA -0.02 0.26 0.73 -0.75 4.49 4.71 2r59A1 SER 84 HB2 0.01 -0.08 -0.00 -0.04 3.95 3.84 2r59A1 SER 84 HB3 0.01 0.31 -0.14 -0.04 3.93 4.07 2r59A1 PRO 85 HA -0.00 0.20 0.60 -0.51 4.44 4.73 2r59A1 PRO 85 HB2 0.00 -0.00 -0.03 -0.04 2.28 2.21 2r59A1 PRO 85 HB3 -0.01 0.08 0.04 -0.04 2.02 2.10 2r59A1 PRO 85 HG2 0.00 -0.10 0.11 -0.04 2.03 2.00 2r59A1 PRO 85 HG3 -0.01 0.07 0.06 -0.04 2.03 2.12 2r59A1 PRO 85 HD2 -0.01 0.10 0.03 -0.04 3.68 3.76 2r59A1 PRO 85 HD3 -0.02 0.23 0.15 -0.04 3.65 3.97 2r59A1 MET 86 H 0.01 0.65 0.30 -0.55 8.47 8.88 2r59A1 MET 86 HA 0.06 0.27 1.00 -0.75 4.52 5.10 2r59A1 MET 86 HB2 0.01 0.04 -0.07 -0.04 2.15 2.09 2r59A1 MET 86 HB3 -0.01 -0.12 0.15 -0.04 2.03 2.02 2r59A1 MET 86 HG2 0.06 0.02 -0.26 -0.04 2.63 2.41 2r59A1 MET 86 HG3 0.08 0.00 -0.13 -0.04 2.56 2.47 2r59A1 MET 86 HE3 -0.29 -0.00 -0.16 -0.04 2.10 1.60 2r59A1 GLU 87 H 0.06 0.57 0.22 -0.55 8.60 8.90 2r59A1 GLU 87 HA 0.03 0.17 0.82 -0.75 4.29 4.56 2r59A1 GLU 87 HB2 0.02 -0.01 0.01 -0.04 2.09 2.07 2r59A1 GLU 87 HB3 0.03 -0.05 0.08 -0.04 1.99 2.02 2r59A1 GLU 87 HG2 0.03 0.02 -0.23 -0.04 2.34 2.12 2r59A1 GLU 87 HG3 0.02 -0.02 -0.15 -0.04 2.34 2.15 2r59A1 ILE 88 H 0.03 0.84 0.41 -0.55 8.25 8.99 2r59A1 ILE 88 HA 0.11 0.19 0.97 -0.75 4.18 4.69 2r59A1 ILE 88 HB 0.03 -0.04 0.08 -0.04 1.89 1.92 2r59A1 ILE 88 HG12 0.04 0.03 -0.17 -0.04 1.49 1.34 2r59A1 ILE 88 HG13 0.03 -0.00 -0.38 -0.04 1.21 0.81 2r59A1 ILE 88 HG23 0.04 0.00 -0.31 -0.04 0.93 0.62 2r59A1 ILE 88 HD13 -0.02 -0.02 -0.16 -0.04 0.88 0.64 2r59A1 SER 89 H 0.06 0.63 0.22 -0.55 8.46 8.84 2r59A1 SER 89 HA 0.03 0.09 0.77 -0.75 4.49 4.63 2r59A1 SER 89 HB2 0.03 0.03 0.19 -0.04 3.95 4.17 2r59A1 SER 89 HB3 0.02 0.05 0.02 -0.04 3.93 3.98 2r59A1 LEU 90 H 0.02 0.49 0.17 -0.55 8.37 8.50 2r59A1 LEU 90 HA 0.02 0.06 0.32 -0.75 4.35 4.00 2r59A1 LEU 90 HB2 0.01 0.00 -0.10 -0.04 1.64 1.52 2r59A1 LEU 90 HB3 0.01 0.03 -0.07 -0.04 1.64 1.57 2r59A1 LEU 90 HG 0.02 -0.03 -0.36 -0.04 1.64 1.23 2r59A1 LEU 90 HD13 0.01 0.01 -0.28 -0.04 0.93 0.63 2r59A1 LEU 90 HD23 0.02 -0.01 -0.24 -0.04 0.89 0.61 2r59A1 PRO 91 HA 0.01 0.10 0.37 -0.51 4.44 4.41 2r59A1 PRO 91 HB2 0.01 0.00 -0.02 -0.04 2.28 2.24 2r59A1 PRO 91 HB3 0.02 0.04 0.08 -0.04 2.02 2.12 2r59A1 PRO 91 HG2 0.01 -0.00 0.03 -0.04 2.03 2.03 2r59A1 PRO 91 HG3 0.02 0.05 0.00 -0.04 2.03 2.05 2r59A1 PRO 91 HD2 0.02 0.06 0.15 -0.04 3.68 3.87 2r59A1 PRO 91 HD3 0.02 0.16 0.18 -0.04 3.65 3.97 2r59A1 ILE 92 H 0.01 0.21 -0.12 -0.55 8.25 7.80 2r59A1 ILE 92 HA 0.01 0.11 0.73 -0.75 4.18 4.27 2r59A1 ILE 92 HB 0.01 -0.02 -0.01 -0.04 1.89 1.83 2r59A1 ILE 92 HG12 0.01 0.13 -0.20 -0.04 1.49 1.39 2r59A1 ILE 92 HG13 0.01 -0.14 -0.42 -0.04 1.21 0.62 2r59A1 ILE 92 HG23 0.01 0.04 -0.00 -0.04 0.93 0.93 2r59A1 ILE 92 HD13 0.01 -0.01 -0.04 -0.04 0.88 0.79 2r59A1 ALA 93 H 0.01 0.08 0.03 -0.55 8.40 7.96 2r59A1 ALA 93 HA 0.01 0.29 0.41 -0.75 4.34 4.29 2r59A1 ALA 93 HB3 0.01 -0.03 -0.06 -0.04 1.41 1.29 2r59A1 LEU 94 H 0.01 0.41 0.28 -0.55 8.37 8.51 2r59A1 LEU 94 HA 0.00 0.14 0.66 -0.75 4.35 4.41 2r59A1 LEU 94 HB2 0.01 -0.06 0.10 -0.04 1.64 1.64 2r59A1 LEU 94 HB3 0.00 0.05 0.06 -0.04 1.64 1.72 2r59A1 LEU 94 HG 0.01 0.10 -0.00 -0.04 1.64 1.70 2r59A1 LEU 94 HD13 0.01 -0.01 -0.10 -0.04 0.93 0.79 2r59A1 LEU 94 HD23 0.01 0.00 -0.17 -0.04 0.89 0.69 2r59A1 SER 95 H 0.00 0.14 0.18 -0.55 8.46 8.24 2r59A1 SER 95 HA 0.00 -0.04 0.89 -0.75 4.49 4.59 2r59A1 SER 95 HB2 0.00 -0.02 0.16 -0.04 3.95 4.05 2r59A1 SER 95 HB3 0.00 0.01 0.08 -0.04 3.93 3.98 2r59A1 LYS 96 H 0.00 0.03 0.06 -0.55 8.42 7.96 2r59A1 LYS 96 HA 0.00 0.10 0.06 -0.75 4.32 3.73 2r59A1 LYS 96 HB2 0.00 -0.10 -0.16 -0.04 1.87 1.57 2r59A1 LYS 96 HB3 -0.00 -0.02 0.01 -0.04 1.79 1.74 2r59A1 LYS 96 HG2 -0.00 0.04 -0.22 -0.04 1.46 1.23 2r59A1 LYS 96 HG3 0.00 0.00 -0.34 -0.04 1.46 1.08 2r59A1 LYS 96 HD2 0.00 0.07 -0.09 -0.04 1.69 1.63 2r59A1 LYS 96 HD3 0.00 -0.09 -0.05 -0.04 1.68 1.50 2r59A1 LYS 96 HE2 -0.00 -0.05 -0.04 -0.04 2.99 2.86 2r59A1 LYS 96 HE3 0.00 0.06 -0.02 -0.04 2.99 2.99 2r59A1 ASN 97 H 0.00 0.62 0.20 -0.55 8.53 8.80 2r59A1 ASN 97 HA -0.00 0.15 0.34 -0.75 4.76 4.49 2r59A1 ASN 97 HB2 -0.00 0.14 0.12 -0.04 2.88 3.09 2r59A1 ASN 97 HB3 -0.00 -0.05 0.17 -0.04 2.79 2.87 2r59A1 ASN 97 HD21 -0.00 -0.02 -0.08 -0.04 7.03 6.89 2r59A1 ASN 97 HD22 -0.00 0.01 -0.10 -0.04 7.74 7.60 2r59A1 GLN 98 H 0.00 0.41 -0.39 -0.55 8.47 7.94 2r59A1 GLN 98 HA -0.00 0.05 0.65 -0.75 4.36 4.30 2r59A1 GLN 98 HB2 0.00 -0.06 0.07 -0.04 2.15 2.13 2r59A1 GLN 98 HB3 0.00 -0.04 0.09 -0.04 2.02 2.03 2r59A1 GLN 98 HG2 0.00 0.12 -0.09 -0.04 2.40 2.39 2r59A1 GLN 98 HG3 -0.00 0.00 0.09 -0.04 2.39 2.44 2r59A1 GLN 98 HE21 0.00 0.01 -0.03 -0.04 6.97 6.92 2r59A1 GLN 98 HE22 0.00 0.07 -0.03 -0.04 7.69 7.69 2r59A1 GLU 99 H -0.00 0.14 0.23 -0.55 8.60 8.43 2r59A1 GLU 99 HA 0.01 0.38 1.12 -0.75 4.29 5.04 2r59A1 GLU 99 HB2 -0.00 -0.06 0.07 -0.04 2.09 2.06 2r59A1 GLU 99 HB3 0.01 -0.00 -0.06 -0.04 1.99 1.89 2r59A1 GLU 99 HG2 0.00 0.00 -0.18 -0.04 2.34 2.12 2r59A1 GLU 99 HG3 -0.00 0.08 -0.02 -0.04 2.34 2.36 2r59A1 ILE 100 H 0.01 0.58 0.36 -0.55 8.25 8.65 2r59A1 ILE 100 HA 0.01 0.15 0.78 -0.75 4.18 4.36 2r59A1 ILE 100 HB 0.01 -0.03 0.08 -0.04 1.89 1.92 2r59A1 ILE 100 HG12 0.01 0.04 -0.04 -0.04 1.49 1.46 2r59A1 ILE 100 HG13 0.01 -0.04 -0.24 -0.04 1.21 0.90 2r59A1 ILE 100 HG23 0.01 0.01 -0.14 -0.04 0.93 0.76 2r59A1 ILE 100 HD13 0.01 0.01 -0.13 -0.04 0.88 0.73 2r59A1 VAL 101 H 0.02 0.15 0.19 -0.55 8.24 8.05 2r59A1 VAL 101 HA 0.03 0.36 1.05 -0.75 4.13 4.82 2r59A1 VAL 101 HB 0.03 -0.08 0.12 -0.04 2.12 2.15 2r59A1 VAL 101 HG13 0.05 0.00 -0.30 -0.04 0.97 0.69 2r59A1 VAL 101 HG23 0.03 0.00 -0.12 -0.04 0.95 0.82 2r59A1 ILE 102 H 0.03 0.68 0.29 -0.55 8.25 8.69 2r59A1 ILE 102 HA 0.02 0.20 0.93 -0.75 4.18 4.58 2r59A1 ILE 102 HB 0.01 -0.02 0.15 -0.04 1.89 1.99 2r59A1 ILE 102 HG12 0.01 0.03 -0.18 -0.04 1.49 1.32 2r59A1 ILE 102 HG13 0.02 -0.05 -0.32 -0.04 1.21 0.81 2r59A1 ILE 102 HG23 -0.00 -0.00 -0.24 -0.04 0.93 0.64 2r59A1 ILE 102 HD13 0.01 -0.00 -0.15 -0.04 0.88 0.70 2r59A1 GLU 103 H 0.02 0.75 0.30 -0.55 8.60 9.12 2r59A1 GLU 103 HA 0.04 0.21 0.93 -0.75 4.29 4.72 2r59A1 GLU 103 HB2 0.04 -0.03 -0.05 -0.04 2.09 2.01 2r59A1 GLU 103 HB3 0.03 0.02 0.16 -0.04 1.99 2.17 2r59A1 GLU 103 HG2 0.04 0.01 -0.32 -0.04 2.34 2.02 2r59A1 GLU 103 HG3 0.05 0.01 -0.14 -0.04 2.34 2.21 2r59A1 ILE 104 H 0.04 0.67 0.33 -0.55 8.25 8.74 2r59A1 ILE 104 HA -0.02 0.24 1.20 -0.75 4.18 4.84 2r59A1 ILE 104 HB -0.01 0.01 0.22 -0.04 1.89 2.06 2r59A1 ILE 104 HG12 -0.09 -0.01 -0.11 -0.04 1.49 1.24 2r59A1 ILE 104 HG13 -0.03 -0.11 -0.42 -0.04 1.21 0.61 2r59A1 ILE 104 HG23 -0.06 0.00 -0.14 -0.04 0.93 0.69 2r59A1 ILE 104 HD13 -0.07 0.00 -0.07 -0.04 0.88 0.70 2r59A1 SER 105 H 0.01 0.65 0.35 -0.55 8.46 8.92 2r59A1 SER 105 HA 0.03 0.28 0.96 -0.75 4.49 5.01 2r59A1 SER 105 HB2 0.00 -0.16 0.21 -0.04 3.95 3.96 2r59A1 SER 105 HB3 -0.03 0.04 0.08 -0.04 3.93 3.98 2r59A1 PHE 106 H -0.26 0.76 0.52 -0.55 8.34 8.81 2r59A1 PHE 106 HA -0.03 0.25 1.11 -0.75 4.62 5.19 2r59A1 PHE 106 HB2 -0.04 -0.01 -0.03 -0.04 3.15 3.04 2r59A1 PHE 106 HB3 -0.06 -0.04 -0.39 -0.04 3.06 2.53 2r59A1 PHE 106 HD2 -0.03 0.06 -0.19 -0.04 7.28 7.07 2r59A1 PHE 106 HE2 -0.03 0.04 -0.27 -0.04 7.38 7.08 2r59A1 PHE 106 HZ -0.04 -0.04 -0.23 -0.04 7.32 6.96 2r59A1 GLU 107 H 0.16 0.45 0.36 -0.55 8.60 9.03 2r59A1 GLU 107 HA -0.19 0.30 0.99 -0.75 4.29 4.65 2r59A1 GLU 107 HB2 -0.10 -0.03 -0.04 -0.04 2.09 1.87 2r59A1 GLU 107 HB3 -0.02 -0.05 0.07 -0.04 1.99 1.95 2r59A1 GLU 107 HG2 -0.02 0.30 -0.13 -0.04 2.34 2.45 2r59A1 GLU 107 HG3 -0.07 -0.04 0.02 -0.04 2.34 2.21 2r59A1 THR 108 H 0.06 0.37 0.37 -0.55 8.28 8.53 2r59A1 THR 108 HA 0.14 0.11 0.59 -0.75 4.39 4.47 2r59A1 THR 108 HB 0.13 0.13 0.23 -0.04 4.32 4.78 2r59A1 THR 108 HG23 0.21 0.01 0.08 -0.04 1.22 1.48 2r59A1 SER 109 H 0.06 0.25 0.33 -0.55 8.46 8.56 2r59A1 SER 109 HA -0.00 0.18 0.89 -0.75 4.49 4.80 2r59A1 SER 109 HB2 0.02 0.09 0.20 -0.04 3.95 4.21 2r59A1 SER 109 HB3 0.03 -0.00 0.21 -0.04 3.93 4.13 2r59A1 PRO 110 HA -0.16 0.29 0.73 -0.51 4.44 4.79 2r59A1 PRO 110 HB2 -0.10 -0.06 0.05 -0.04 2.28 2.12 2r59A1 PRO 110 HB3 -0.25 0.04 0.18 -0.04 2.02 1.95 2r59A1 PRO 110 HG2 -0.12 -0.05 0.13 -0.04 2.03 1.94 2r59A1 PRO 110 HG3 -0.22 0.33 0.16 -0.04 2.03 2.26 2r59A1 PRO 110 HD2 -0.05 -0.01 0.25 -0.04 3.68 3.82 2r59A1 PRO 110 HD3 -0.07 0.15 0.24 -0.04 3.65 3.93 2r59A1 LYS 111 H -0.00 0.02 -0.27 -0.55 8.42 7.61 2r59A1 LYS 111 HA 0.02 0.29 0.74 -0.75 4.32 4.60 2r59A1 LYS 111 HB2 -0.00 0.02 0.13 -0.04 1.87 1.98 2r59A1 LYS 111 HB3 -0.01 -0.01 0.04 -0.04 1.79 1.77 2r59A1 LYS 111 HG2 0.00 -0.04 -0.01 -0.04 1.46 1.37 2r59A1 LYS 111 HG3 0.01 -0.02 -0.13 -0.04 1.46 1.28 2r59A1 LYS 111 HD2 0.00 0.00 0.01 -0.04 1.69 1.67 2r59A1 LYS 111 HD3 -0.00 0.01 0.01 -0.04 1.68 1.66 2r59A1 LYS 111 HE2 0.01 -0.03 -0.02 -0.04 2.99 2.91 2r59A1 LYS 111 HE3 0.00 -0.01 -0.00 -0.04 2.99 2.94 2r59A1 SER 112 H 0.08 0.45 -0.44 -0.55 8.46 7.99 2r59A1 SER 112 HA 0.04 -0.05 0.50 -0.75 4.49 4.22 2r59A1 SER 112 HB2 0.09 0.10 0.26 -0.04 3.95 4.36 2r59A1 SER 112 HB3 0.12 0.03 0.14 -0.04 3.93 4.17 2r59A1 SER 113 H 0.02 0.11 0.25 -0.55 8.46 8.28 2r59A1 SER 113 HA -0.14 0.13 0.51 -0.75 4.49 4.24 2r59A1 SER 113 HB2 -0.10 -0.04 0.10 -0.04 3.95 3.87 2r59A1 SER 113 HB3 0.03 0.05 0.15 -0.04 3.93 4.12 2r59A1 ALA 114 H -0.03 0.05 -0.37 -0.55 8.40 7.49 2r59A1 ALA 114 HA -0.10 0.22 0.45 -0.75 4.34 4.16 2r59A1 ALA 114 HB3 0.03 0.03 -0.14 -0.04 1.41 1.28 2r59A1 LEU 115 H -0.14 0.46 -0.34 -0.55 8.37 7.80 2r59A1 LEU 115 HA -0.26 0.22 0.84 -0.75 4.35 4.41 2r59A1 LEU 115 HB2 -0.03 0.13 -0.00 -0.04 1.64 1.70 2r59A1 LEU 115 HB3 -0.55 -0.02 -0.14 -0.04 1.64 0.90 2r59A1 LEU 115 HG -0.04 -0.08 -0.22 -0.04 1.64 1.27 2r59A1 LEU 115 HD13 0.02 0.01 -0.13 -0.04 0.93 0.79 2r59A1 LEU 115 HD23 -0.19 0.01 -0.31 -0.04 0.89 0.36 2r59A1 GLN 116 H -0.65 0.57 0.30 -0.55 8.47 8.15 2r59A1 GLN 116 HA -0.25 0.24 0.66 -0.75 4.36 4.26 2r59A1 GLN 116 HB2 -0.46 -0.01 0.03 -0.04 2.15 1.66 2r59A1 GLN 116 HB3 -1.06 -0.09 0.07 -0.04 2.02 0.90 2r59A1 GLN 116 HG2 -0.07 -0.03 -0.39 -0.04 2.40 1.87 2r59A1 GLN 116 HG3 -0.08 0.16 -0.04 -0.04 2.39 2.40 2r59A1 GLN 116 HE21 0.14 -0.06 -0.15 -0.04 6.97 6.85 2r59A1 GLN 116 HE22 0.07 0.19 -0.27 -0.04 7.69 7.65 2r59A1 TRP 117 H 0.18 0.30 0.08 -0.55 7.97 7.99 2r59A1 TRP 117 HA 0.06 0.11 0.83 -0.75 4.62 4.87 2r59A1 TRP 117 HB2 -0.01 0.07 0.17 -0.04 3.23 3.41 2r59A1 TRP 117 HB3 0.07 -0.02 0.00 -0.04 3.23 3.24 2r59A1 TRP 117 HD1 -0.09 0.17 0.01 -0.04 7.22 7.27 2r59A1 TRP 117 HE1 -0.09 0.07 -0.09 -0.04 10.20 10.05 2r59A1 TRP 117 HE3 0.05 0.03 -0.05 -0.04 7.59 7.59 2r59A1 TRP 117 HZ2 -0.14 -0.04 -0.51 -0.04 7.44 6.72 2r59A1 TRP 117 HZ3 -1.26 -0.10 -0.29 -0.04 7.13 5.44 2r59A1 TRP 117 HH2 -0.35 -0.04 -0.30 -0.04 7.19 6.47 2r59A1 LEU 118 H 0.33 0.57 0.37 -0.55 8.37 9.08 2r59A1 LEU 118 HA 0.15 0.19 0.81 -0.75 4.35 4.75 2r59A1 LEU 118 HB2 0.24 -0.09 0.10 -0.04 1.64 1.85 2r59A1 LEU 118 HB3 0.12 0.03 -0.05 -0.04 1.64 1.70 2r59A1 LEU 118 HG 0.19 0.08 -0.23 -0.04 1.64 1.65 2r59A1 LEU 118 HD13 0.05 -0.02 -0.12 -0.04 0.93 0.80 2r59A1 LEU 118 HD23 0.14 0.03 -0.20 -0.04 0.89 0.82 2r59A1 THR 119 H 0.11 0.18 0.16 -0.55 8.28 8.17 2r59A1 THR 119 HA 0.11 0.14 0.56 -0.75 4.39 4.45 2r59A1 THR 119 HB 0.04 0.01 0.11 -0.04 4.32 4.44 2r59A1 THR 119 HG23 0.06 0.05 0.05 -0.04 1.22 1.33 2r59A1 PRO 120 HA 0.05 0.25 0.25 -0.51 4.44 4.47 2r59A1 PRO 120 HB2 -0.00 0.08 -0.16 -0.04 2.28 2.16 2r59A1 PRO 120 HB3 -0.02 -0.07 -0.75 -0.04 2.02 1.14 2r59A1 PRO 120 HG2 -0.00 0.10 -0.06 -0.04 2.03 2.02 2r59A1 PRO 120 HG3 0.00 -0.06 -0.37 -0.04 2.03 1.57 2r59A1 PRO 120 HD2 0.03 0.09 0.13 -0.04 3.68 3.89 2r59A1 PRO 120 HD3 0.05 0.13 0.15 -0.04 3.65 3.93 2r59A1 GLU 121 H 0.03 0.08 -0.31 -0.55 8.60 7.86 2r59A1 GLU 121 HA 0.01 0.13 0.44 -0.75 4.29 4.11 2r59A1 GLU 121 HB2 0.01 0.06 0.03 -0.04 2.09 2.15 2r59A1 GLU 121 HB3 0.01 0.02 0.07 -0.04 1.99 2.04 2r59A1 GLU 121 HG2 0.02 0.00 -0.02 -0.04 2.34 2.30 2r59A1 GLU 121 HG3 0.01 0.03 0.00 -0.04 2.34 2.34 2r59A1 GLN 122 H 0.05 0.24 -0.40 -0.55 8.47 7.82 2r59A1 GLN 122 HA 0.04 0.19 0.71 -0.75 4.36 4.54 2r59A1 GLN 122 HB2 0.07 0.03 0.04 -0.04 2.15 2.25 2r59A1 GLN 122 HB3 0.06 -0.02 0.14 -0.04 2.02 2.16 2r59A1 GLN 122 HG2 0.06 0.08 0.01 -0.04 2.40 2.51 2r59A1 GLN 122 HG3 0.05 -0.14 -0.04 -0.04 2.39 2.22 2r59A1 GLN 122 HE21 0.08 0.18 0.15 -0.04 6.97 7.34 2r59A1 GLN 122 HE22 0.08 0.03 0.08 -0.04 7.69 7.84 2r59A1 THR 123 H 0.03 0.35 -0.44 -0.55 8.28 7.67 2r59A1 THR 123 HA -0.05 0.12 0.78 -0.75 4.39 4.49 2r59A1 THR 123 HB 0.04 -0.21 0.18 -0.04 4.32 4.29 2r59A1 THR 123 HG23 0.08 0.09 -0.13 -0.04 1.22 1.22 2r59A1 SER 124 H -0.01 0.07 0.17 -0.55 8.46 8.14 2r59A1 SER 124 HA 0.01 0.23 0.65 -0.75 4.49 4.63 2r59A1 SER 124 HB2 0.02 -0.14 0.13 -0.04 3.95 3.92 2r59A1 SER 124 HB3 0.02 0.00 0.04 -0.04 3.93 3.95 2r59A1 GLY 125 H 0.04 0.02 0.02 -0.55 8.43 7.97 2r59A1 GLY 125 HA2 0.03 0.12 0.44 -0.51 4.01 4.08 2r59A1 GLY 125 HA3 0.05 -0.05 0.34 -0.51 4.01 3.85 2r59A1 LYS 126 H 0.02 0.08 -0.13 -0.55 8.42 7.84 2r59A1 LYS 126 HA 0.01 0.38 0.15 -0.75 4.32 4.11 2r59A1 LYS 126 HB2 -0.01 0.12 -0.02 -0.04 1.87 1.93 2r59A1 LYS 126 HB3 -0.01 -0.05 0.05 -0.04 1.79 1.74 2r59A1 LYS 126 HG2 0.01 0.05 -0.57 -0.04 1.46 0.91 2r59A1 LYS 126 HG3 0.00 -0.05 -0.12 -0.04 1.46 1.26 2r59A1 LYS 126 HD2 0.01 -0.12 0.01 -0.04 1.69 1.55 2r59A1 LYS 126 HD3 0.01 0.19 -0.04 -0.04 1.68 1.79 2r59A1 LYS 126 HE2 0.01 -0.02 0.00 -0.04 2.99 2.94 2r59A1 LYS 126 HE3 0.01 -0.12 0.01 -0.04 2.99 2.85 2r59A1 GLU 127 H -0.04 -0.09 -0.48 -0.55 8.60 7.45 2r59A1 GLU 127 HA -0.13 0.21 0.80 -0.75 4.29 4.41 2r59A1 GLU 127 HB2 -0.56 -0.04 0.02 -0.04 2.09 1.47 2r59A1 GLU 127 HB3 -0.35 0.00 0.05 -0.04 1.99 1.65 2r59A1 GLU 127 HG2 -0.06 0.10 -0.08 -0.04 2.34 2.26 2r59A1 GLU 127 HG3 -0.08 -0.04 0.01 -0.04 2.34 2.20 2r59A1 HIS 128 H 0.00 -0.04 0.11 -0.55 8.41 7.94 2r59A1 HIS 128 HA -0.05 0.23 0.80 -0.75 4.63 4.86 2r59A1 HIS 128 HB2 0.00 -0.12 0.08 -0.04 3.26 3.18 2r59A1 HIS 128 HB3 -0.09 0.13 0.02 -0.04 3.20 3.22 2r59A1 HIS 128 HD2 0.02 -0.07 0.03 -0.04 6.97 6.90 2r59A1 HIS 128 HE1 0.00 -0.01 -0.04 -0.04 7.75 7.66 2r59A1 PRO 129 HA 0.07 0.17 0.34 -0.51 4.44 4.51 2r59A1 PRO 129 HB2 -0.03 0.03 0.15 -0.04 2.28 2.39 2r59A1 PRO 129 HB3 0.01 0.01 0.13 -0.04 2.02 2.12 2r59A1 PRO 129 HG2 -1.47 0.01 -0.07 -0.04 2.03 0.46 2r59A1 PRO 129 HG3 -0.34 0.01 0.05 -0.04 2.03 1.71 2r59A1 PRO 129 HD2 -0.19 0.04 0.13 -0.04 3.68 3.62 2r59A1 PRO 129 HD3 -0.06 0.16 0.22 -0.04 3.65 3.93 2r59A1 TYR 130 H 0.30 0.41 0.29 -0.55 8.29 8.74 2r59A1 TYR 130 HA 0.11 0.27 0.94 -0.75 4.56 5.12 2r59A1 TYR 130 HB2 0.07 -0.01 -0.41 -0.04 3.06 2.66 2r59A1 TYR 130 HB3 0.13 -0.01 -0.06 -0.04 2.98 2.99 2r59A1 TYR 130 HD2 0.13 -0.04 -0.24 -0.04 7.15 6.96 2r59A1 TYR 130 HE2 0.04 -0.04 -0.14 -0.04 6.85 6.66 2r59A1 LEU 131 H -0.16 0.62 0.42 -0.55 8.37 8.70 2r59A1 LEU 131 HA -0.18 0.41 1.19 -0.75 4.35 5.01 2r59A1 LEU 131 HB2 -0.70 -0.00 -0.13 -0.04 1.64 0.76 2r59A1 LEU 131 HB3 -0.26 -0.08 0.07 -0.04 1.64 1.34 2r59A1 LEU 131 HG -0.48 0.02 -0.45 -0.04 1.64 0.69 2r59A1 LEU 131 HD13 -1.83 0.04 -0.19 -0.04 0.93 -1.09 2r59A1 LEU 131 HD23 -0.63 -0.02 -0.22 -0.04 0.89 -0.02 2r59A1 PHE 132 H -0.42 0.55 0.34 -0.55 8.34 8.25 2r59A1 PHE 132 HA -0.09 0.20 0.63 -0.75 4.62 4.61 2r59A1 PHE 132 HB2 0.03 0.05 0.16 -0.04 3.15 3.35 2r59A1 PHE 132 HB3 0.08 -0.04 0.08 -0.04 3.06 3.15 2r59A1 PHE 132 HD2 0.29 0.10 -0.24 -0.04 7.28 7.39 2r59A1 PHE 132 HE2 0.23 -0.02 -0.14 -0.04 7.38 7.40 2r59A1 PHE 132 HZ 0.27 0.04 -0.30 -0.04 7.32 7.30 2r59A1 SER 133 H 0.24 0.39 0.29 -0.55 8.46 8.83 2r59A1 SER 133 HA 0.00 0.37 1.04 -0.75 4.49 5.15 2r59A1 SER 133 HB2 0.02 0.02 0.02 -0.04 3.95 3.97 2r59A1 SER 133 HB3 -0.03 -0.02 -0.00 -0.04 3.93 3.84 2r59A1 GLN 134 H 0.11 0.73 0.17 -0.55 8.47 8.93 2r59A1 GLN 134 HA 0.19 0.02 0.40 -0.75 4.36 4.22 2r59A1 GLN 134 HB2 0.44 0.06 0.03 -0.04 2.15 2.64 2r59A1 GLN 134 HB3 0.28 0.06 0.07 -0.04 2.02 2.39 2r59A1 GLN 134 HG2 0.21 -0.06 -0.01 -0.04 2.40 2.50 2r59A1 GLN 134 HG3 0.15 0.10 -0.10 -0.04 2.39 2.49 2r59A1 GLN 134 HE21 -0.11 -0.05 -0.02 -0.04 6.97 6.75 2r59A1 GLN 134 HE22 -0.05 0.25 -0.08 -0.04 7.69 7.77 2r59A1 CYS 135 H 0.05 0.24 0.02 -0.55 8.50 8.27 2r59A1 CYS 135 HA 0.13 0.04 0.25 -0.75 4.58 4.25 2r59A1 CYS 135 HB2 0.04 0.35 0.06 -0.04 2.97 3.38 2r59A1 CYS 135 HB3 0.07 -0.22 -0.03 -0.04 2.97 2.76 2r59A1 GLN 136 H 0.04 0.09 -0.08 -0.55 8.47 7.97 2r59A1 GLN 136 HA -0.09 0.07 0.37 -0.75 4.36 3.96 2r59A1 GLN 136 HB2 0.12 0.11 0.05 -0.04 2.15 2.39 2r59A1 GLN 136 HB3 -0.19 -0.02 0.03 -0.04 2.02 1.80 2r59A1 GLN 136 HG2 -0.65 -0.03 -0.03 -0.04 2.40 1.65 2r59A1 GLN 136 HG3 -0.59 0.01 0.06 -0.04 2.39 1.83 2r59A1 GLN 136 HE21 0.24 0.02 -0.03 -0.04 6.97 7.16 2r59A1 GLN 136 HE22 -0.06 -0.04 -0.01 -0.04 7.69 7.54 2r59A1 ALA 137 H -0.49 0.03 0.09 -0.55 8.40 7.48 2r59A1 ALA 137 HA -0.82 0.02 0.43 -0.75 4.34 3.22 2r59A1 ALA 137 HB3 -1.68 0.00 0.07 -0.04 1.41 -0.24 2r59A1 ILE 138 H -0.56 0.11 0.06 -0.55 8.25 7.31 2r59A1 ILE 138 HA -0.03 0.19 0.99 -0.75 4.18 4.57 2r59A1 ILE 138 HB -0.04 0.08 0.26 -0.04 1.89 2.15 2r59A1 ILE 138 HG12 -0.32 -0.14 0.10 -0.04 1.49 1.08 2r59A1 ILE 138 HG13 -0.27 0.06 0.08 -0.04 1.21 1.04 2r59A1 ILE 138 HG23 0.00 -0.00 -0.09 -0.04 0.93 0.80 2r59A1 ILE 138 HD13 0.11 0.01 0.11 -0.04 0.88 1.07 2r59A1 HIS 139 H -0.07 0.82 -0.06 -0.55 8.41 8.55 2r59A1 HIS 139 HA -0.00 0.19 0.86 -0.75 4.63 4.93 2r59A1 HIS 139 HB2 -0.00 0.16 0.03 -0.04 3.26 3.41 2r59A1 HIS 139 HB3 0.00 -0.11 -0.09 -0.04 3.20 2.96 2r59A1 HIS 139 HD2 -0.05 0.28 -0.30 -0.04 6.97 6.86 2r59A1 HIS 139 HE1 -0.01 -0.02 -0.03 -0.04 7.75 7.65 2r59A1 CYS 140 H 0.06 0.19 -0.09 -0.55 8.50 8.11 2r59A1 CYS 140 HA 0.01 0.11 0.44 -0.75 4.58 4.39 2r59A1 CYS 140 HB2 0.04 0.07 -0.11 -0.04 2.97 2.93 2r59A1 CYS 140 HB3 0.02 -0.06 -0.14 -0.04 2.97 2.75 2r59A1 ARG 141 H 0.01 0.12 -0.46 -0.55 8.46 7.58 2r59A1 ARG 141 HA -0.06 0.34 0.26 -0.75 4.34 4.13 2r59A1 ARG 141 HB2 -0.02 -0.08 -0.40 -0.04 1.90 1.36 2r59A1 ARG 141 HB3 -0.01 -0.07 -0.07 -0.04 1.80 1.61 2r59A1 ARG 141 HG2 0.00 -0.02 -0.17 -0.04 1.67 1.44 2r59A1 ARG 141 HG3 0.01 -0.01 -0.38 -0.04 1.67 1.25 2r59A1 ARG 141 HD2 -0.01 0.12 -0.04 -0.04 3.22 3.25 2r59A1 ARG 141 HD3 -0.01 0.03 -0.08 -0.04 3.22 3.11 2r59A1 ALA 142 H 0.04 0.33 -0.64 -0.55 8.40 7.59 2r59A1 ALA 142 HA 0.02 0.31 0.76 -0.75 4.34 4.67 2r59A1 ALA 142 HB3 0.07 -0.00 0.12 -0.04 1.41 1.56 2r59A1 ILE 143 H -0.03 0.52 -0.24 -0.55 8.25 7.95 2r59A1 ILE 143 HA 0.05 0.19 1.04 -0.75 4.18 4.71 2r59A1 ILE 143 HB -0.04 0.12 0.03 -0.04 1.89 1.96 2r59A1 ILE 143 HG12 0.00 0.00 -0.13 -0.04 1.49 1.33 2r59A1 ILE 143 HG13 0.00 -0.02 -0.25 -0.04 1.21 0.90 2r59A1 ILE 143 HG23 0.01 -0.03 -0.25 -0.04 0.93 0.63 2r59A1 ILE 143 HD13 -0.04 -0.01 -0.17 -0.04 0.88 0.62 2r59A1 LEU 144 H -0.14 0.47 0.10 -0.55 8.37 8.25 2r59A1 LEU 144 HA -0.91 0.12 0.47 -0.75 4.35 3.27 2r59A1 LEU 144 HB2 -0.51 0.05 -0.09 -0.04 1.64 1.05 2r59A1 LEU 144 HB3 -0.35 0.06 -0.31 -0.04 1.64 1.00 2r59A1 LEU 144 HG -0.16 0.00 -0.17 -0.04 1.64 1.27 2r59A1 LEU 144 HD13 -0.17 0.02 -0.34 -0.04 0.93 0.40 2r59A1 LEU 144 HD23 -0.14 -0.01 -0.23 -0.04 0.89 0.47 2r59A1 PRO 145 HA -0.14 0.33 0.60 -0.51 4.44 4.72 2r59A1 PRO 145 HB2 -0.14 -0.02 -0.01 -0.04 2.28 2.07 2r59A1 PRO 145 HB3 -0.12 0.02 -0.01 -0.04 2.02 1.87 2r59A1 PRO 145 HG2 -0.19 0.02 -0.03 -0.04 2.03 1.79 2r59A1 PRO 145 HG3 -0.21 0.02 -0.05 -0.04 2.03 1.75 2r59A1 PRO 145 HD2 -0.52 0.08 0.12 -0.04 3.68 3.32 2r59A1 PRO 145 HD3 -1.12 0.12 0.08 -0.04 3.65 2.69 2r59A1 CYS 146 H -0.07 0.48 0.37 -0.55 8.50 8.73 2r59A1 CYS 146 HA -0.06 0.10 0.53 -0.75 4.58 4.39 2r59A1 CYS 146 HB2 -0.05 -0.03 -0.08 -0.04 2.97 2.77 2r59A1 CYS 146 HB3 -0.09 0.16 -0.33 -0.04 2.97 2.67 2r59A1 GLN 147 H -0.02 0.23 0.11 -0.55 8.47 8.24 2r59A1 GLN 147 HA -0.00 0.04 0.88 -0.75 4.36 4.52 2r59A1 GLN 147 HB2 -0.00 -0.00 0.27 -0.04 2.15 2.37 2r59A1 GLN 147 HB3 0.00 0.02 0.14 -0.04 2.02 2.14 2r59A1 GLN 147 HG2 -0.00 0.13 0.11 -0.04 2.40 2.60 2r59A1 GLN 147 HG3 -0.01 -0.05 0.03 -0.04 2.39 2.32 2r59A1 GLN 147 HE21 0.00 0.50 0.00 -0.04 6.97 7.43 2r59A1 GLN 147 HE22 0.00 0.49 -0.03 -0.04 7.69 8.12 2r59A1 ASP 148 H 0.02 0.16 0.02 -0.55 8.40 8.06 2r59A1 ASP 148 HA 0.05 0.09 0.14 -0.75 4.63 4.16 2r59A1 ASP 148 HB2 0.01 0.06 -0.02 -0.04 2.71 2.72 2r59A1 ASP 148 HB3 0.04 0.03 0.22 -0.04 2.70 2.95 2r59A1 THR 149 H 0.05 0.65 0.35 -0.55 8.28 8.79 2r59A1 THR 149 HA 0.08 0.15 0.86 -0.75 4.39 4.74 2r59A1 THR 149 HB 0.03 0.01 -0.15 -0.04 4.32 4.17 2r59A1 THR 149 HG23 0.01 -0.01 -0.10 -0.04 1.22 1.07 2r59A1 PRO 150 HA 0.05 0.09 0.63 -0.51 4.44 4.70 2r59A1 PRO 150 HB2 -0.19 0.30 0.04 -0.04 2.28 2.39 2r59A1 PRO 150 HB3 0.00 -0.07 0.08 -0.04 2.02 1.99 2r59A1 PRO 150 HG2 -0.58 0.19 -0.42 -0.04 2.03 1.18 2r59A1 PRO 150 HG3 -1.73 -0.09 -0.14 -0.04 2.03 0.03 2r59A1 PRO 150 HD2 -0.30 0.03 0.22 -0.04 3.68 3.59 2r59A1 PRO 150 HD3 -0.19 0.12 0.14 -0.04 3.65 3.68 2r59A1 SER 151 H -0.08 -0.07 -0.35 -0.55 8.46 7.41 2r59A1 SER 151 HA -0.07 0.13 0.70 -0.75 4.49 4.50 2r59A1 SER 151 HB2 -0.04 -0.02 0.14 -0.04 3.95 3.99 2r59A1 SER 151 HB3 -0.06 0.14 0.15 -0.04 3.93 4.11 2r59A1 VAL 152 H -0.01 0.27 -0.27 -0.55 8.24 7.68 2r59A1 VAL 152 HA -0.00 0.19 0.94 -0.75 4.13 4.50 2r59A1 VAL 152 HB 0.00 0.05 0.21 -0.04 2.12 2.34 2r59A1 VAL 152 HG13 0.00 -0.03 -0.01 -0.04 0.97 0.90 2r59A1 VAL 152 HG23 -0.00 -0.03 -0.00 -0.04 0.95 0.87 2r59A1 LYS 153 H 0.01 0.23 0.10 -0.55 8.42 8.20 2r59A1 LYS 153 HA 0.01 0.22 0.56 -0.75 4.32 4.35 2r59A1 LYS 153 HB2 0.02 0.02 -0.05 -0.04 1.87 1.82 2r59A1 LYS 153 HB3 0.04 0.01 -0.39 -0.04 1.79 1.41 2r59A1 LYS 153 HG2 0.00 -0.05 -0.40 -0.04 1.46 0.97 2r59A1 LYS 153 HG3 0.00 -0.07 -0.53 -0.04 1.46 0.82 2r59A1 LYS 153 HD2 0.05 0.14 -0.31 -0.04 1.69 1.53 2r59A1 LYS 153 HD3 0.06 0.16 -0.23 -0.04 1.68 1.63 2r59A1 LYS 153 HE2 -0.00 -0.09 -0.20 -0.04 2.99 2.66 2r59A1 LYS 153 HE3 -0.01 -0.11 -0.53 -0.04 2.99 2.30 2r59A1 LEU 154 H 0.03 0.63 0.28 -0.55 8.37 8.76 2r59A1 LEU 154 HA 0.04 0.24 0.83 -0.75 4.35 4.71 2r59A1 LEU 154 HB2 0.03 0.01 -0.34 -0.04 1.64 1.29 2r59A1 LEU 154 HB3 0.02 0.05 -0.45 -0.04 1.64 1.22 2r59A1 LEU 154 HG 0.03 0.06 -0.15 -0.04 1.64 1.54 2r59A1 LEU 154 HD13 -0.03 -0.02 -0.20 -0.04 0.93 0.63 2r59A1 LEU 154 HD23 -0.01 -0.05 -0.15 -0.04 0.89 0.65 2r59A1 THR 155 H 0.10 0.48 0.32 -0.55 8.28 8.63 2r59A1 THR 155 HA 0.06 0.26 0.73 -0.75 4.39 4.68 2r59A1 THR 155 HB 0.14 0.10 0.21 -0.04 4.32 4.73 2r59A1 THR 155 HG23 0.03 -0.01 -0.18 -0.04 1.22 1.02 2r59A1 TYR 156 H -0.07 0.55 0.37 -0.55 8.29 8.60 2r59A1 TYR 156 HA -0.66 0.12 0.79 -0.75 4.56 4.05 2r59A1 TYR 156 HB2 -0.14 0.07 0.15 -0.04 3.06 3.10 2r59A1 TYR 156 HB3 -0.13 0.04 -0.26 -0.04 2.98 2.58 2r59A1 TYR 156 HD2 -0.02 0.07 -0.35 -0.04 7.15 6.81 2r59A1 TYR 156 HE2 -0.05 0.04 -0.18 -0.04 6.85 6.61 2r59A1 THR 157 H 0.13 0.63 0.51 -0.55 8.28 9.00 2r59A1 THR 157 HA 0.18 0.24 0.92 -0.75 4.39 4.98 2r59A1 THR 157 HB 0.32 0.02 0.16 -0.04 4.32 4.77 2r59A1 THR 157 HG23 0.18 -0.00 -0.01 -0.04 1.22 1.34 2r59A1 ALA 158 H 0.29 0.51 0.37 -0.55 8.40 9.02 2r59A1 ALA 158 HA 0.07 0.31 0.83 -0.75 4.34 4.80 2r59A1 ALA 158 HB3 0.24 -0.01 -0.13 -0.04 1.41 1.47 2r59A1 GLU 159 H 0.04 0.60 0.37 -0.55 8.60 9.06 2r59A1 GLU 159 HA 0.14 0.32 0.81 -0.75 4.29 4.80 2r59A1 GLU 159 HB2 0.04 -0.06 0.19 -0.04 2.09 2.22 2r59A1 GLU 159 HB3 0.06 -0.01 0.01 -0.04 1.99 2.01 2r59A1 GLU 159 HG2 0.13 0.09 -0.09 -0.04 2.34 2.42 2r59A1 GLU 159 HG3 0.20 -0.04 -0.23 -0.04 2.34 2.24 2r59A1 VAL 160 H 0.19 0.62 0.27 -0.55 8.24 8.77 2r59A1 VAL 160 HA 0.08 0.24 0.95 -0.75 4.13 4.65 2r59A1 VAL 160 HB 0.28 -0.03 0.05 -0.04 2.12 2.38 2r59A1 VAL 160 HG13 0.05 -0.00 -0.24 -0.04 0.97 0.74 2r59A1 VAL 160 HG23 0.14 0.01 -0.29 -0.04 0.95 0.77 2r59A1 SER 161 H 0.06 0.68 0.45 -0.55 8.46 9.10 2r59A1 SER 161 HA 0.08 0.34 1.07 -0.75 4.49 5.23 2r59A1 SER 161 HB2 0.03 -0.02 0.05 -0.04 3.95 3.97 2r59A1 SER 161 HB3 0.03 -0.05 0.27 -0.04 3.93 4.14 2r59A1 VAL 162 H 0.12 0.72 0.41 -0.55 8.24 8.94 2r59A1 VAL 162 HA 0.15 0.15 0.91 -0.75 4.13 4.58 2r59A1 VAL 162 HB 0.19 -0.00 -0.03 -0.04 2.12 2.24 2r59A1 VAL 162 HG13 0.12 -0.01 -0.41 -0.04 0.97 0.63 2r59A1 VAL 162 HG23 0.26 0.05 -0.22 -0.04 0.95 1.00 2r59A1 PRO 163 HA 0.08 0.19 0.72 -0.51 4.44 4.92 2r59A1 PRO 163 HB2 0.04 -0.05 0.06 -0.04 2.28 2.29 2r59A1 PRO 163 HB3 0.07 0.05 0.17 -0.04 2.02 2.27 2r59A1 PRO 163 HG2 0.20 0.02 0.09 -0.04 2.03 2.30 2r59A1 PRO 163 HG3 0.21 0.02 0.15 -0.04 2.03 2.37 2r59A1 PRO 163 HD2 0.39 0.08 0.20 -0.04 3.68 4.31 2r59A1 PRO 163 HD3 0.26 0.24 0.24 -0.04 3.65 4.36 2r59A1 LYS 164 H 0.05 0.60 0.33 -0.55 8.42 8.85 2r59A1 LYS 164 HA 0.07 0.11 0.23 -0.75 4.32 3.97 2r59A1 LYS 164 HB2 0.02 0.01 -0.02 -0.04 1.87 1.84 2r59A1 LYS 164 HB3 0.02 -0.04 -0.36 -0.04 1.79 1.37 2r59A1 LYS 164 HG2 0.03 0.09 0.04 -0.04 1.46 1.58 2r59A1 LYS 164 HG3 0.03 -0.02 -0.16 -0.04 1.46 1.26 2r59A1 LYS 164 HD2 0.02 -0.02 -0.03 -0.04 1.69 1.61 2r59A1 LYS 164 HD3 0.02 0.18 0.05 -0.04 1.68 1.89 2r59A1 LYS 164 HE2 0.02 -0.04 0.06 -0.04 2.99 3.00 2r59A1 LYS 164 HE3 0.03 -0.04 -0.01 -0.04 2.99 2.93 2r59A1 GLU 165 H 0.00 0.02 -0.35 -0.55 8.60 7.72 2r59A1 GLU 165 HA -0.01 0.11 0.50 -0.75 4.29 4.13 2r59A1 GLU 165 HB2 -0.18 -0.02 -0.04 -0.04 2.09 1.81 2r59A1 GLU 165 HB3 -0.27 -0.02 0.08 -0.04 1.99 1.73 2r59A1 GLU 165 HG2 0.16 -0.00 0.01 -0.04 2.34 2.47 2r59A1 GLU 165 HG3 0.05 0.03 0.01 -0.04 2.34 2.39 2r59A1 LEU 166 H 0.02 0.50 -0.39 -0.55 8.37 7.95 2r59A1 LEU 166 HA -0.11 0.12 0.66 -0.75 4.35 4.27 2r59A1 LEU 166 HB2 0.03 0.08 -0.08 -0.04 1.64 1.63 2r59A1 LEU 166 HB3 -0.07 -0.06 -0.04 -0.04 1.64 1.43 2r59A1 LEU 166 HG -0.12 -0.09 -0.17 -0.04 1.64 1.22 2r59A1 LEU 166 HD13 -0.21 0.00 -0.13 -0.04 0.93 0.54 2r59A1 LEU 166 HD23 -0.38 0.00 -0.33 -0.04 0.89 0.14 2r59A1 VAL 167 H -0.09 0.56 0.36 -0.55 8.24 8.52 2r59A1 VAL 167 HA -0.35 0.16 0.85 -0.75 4.13 4.04 2r59A1 VAL 167 HB -0.11 -0.08 0.17 -0.04 2.12 2.06 2r59A1 VAL 167 HG13 -0.28 0.01 -0.12 -0.04 0.97 0.53 2r59A1 VAL 167 HG23 0.10 0.04 -0.04 -0.04 0.95 1.01 2r59A1 ALA 168 H -1.27 0.19 0.15 -0.55 8.40 6.92 2r59A1 ALA 168 HA -0.24 0.32 1.02 -0.75 4.34 4.68 2r59A1 ALA 168 HB3 -0.01 -0.01 -0.00 -0.04 1.41 1.34 2r59A1 LEU 169 H -0.29 0.62 0.33 -0.55 8.37 8.49 2r59A1 LEU 169 HA -0.14 0.17 0.72 -0.75 4.35 4.35 2r59A1 LEU 169 HB2 -0.38 -0.07 -0.12 -0.04 1.64 1.03 2r59A1 LEU 169 HB3 -0.41 0.08 -0.06 -0.04 1.64 1.21 2r59A1 LEU 169 HG -0.67 -0.05 -0.46 -0.04 1.64 0.41 2r59A1 LEU 169 HD13 -1.14 -0.01 -0.18 -0.04 0.93 -0.44 2r59A1 LEU 169 HD23 -1.07 0.05 -0.02 -0.04 0.89 -0.20 2r59A1 MET 170 H -0.38 0.30 0.11 -0.55 8.47 7.95 2r59A1 MET 170 HA -0.25 0.23 0.79 -0.75 4.52 4.53 2r59A1 MET 170 HB2 -0.84 -0.05 -0.22 -0.04 2.15 1.00 2r59A1 MET 170 HB3 -0.18 0.03 -0.02 -0.04 2.03 1.82 2r59A1 MET 170 HG2 -0.48 0.08 -0.17 -0.04 2.63 2.02 2r59A1 MET 170 HG3 -1.72 -0.09 -0.49 -0.04 2.56 0.22 2r59A1 MET 170 HE3 -0.19 0.00 -0.18 -0.04 2.10 1.69 2r59A1 SER 171 H -0.05 0.17 0.12 -0.55 8.46 8.15 2r59A1 SER 171 HA -0.08 0.21 0.55 -0.75 4.49 4.41 2r59A1 SER 171 HB2 -0.11 0.06 0.22 -0.04 3.95 4.09 2r59A1 SER 171 HB3 -0.17 -0.12 0.09 -0.04 3.93 3.69 2r59A1 ALA 172 H -0.01 0.60 0.06 -0.55 8.40 8.50 2r59A1 ALA 172 HA -0.07 0.10 0.60 -0.75 4.34 4.22 2r59A1 ALA 172 HB3 -0.10 -0.02 -0.47 -0.04 1.41 0.77 2r59A1 ILE 173 H 0.03 0.62 0.31 -0.55 8.25 8.66 2r59A1 ILE 173 HA 0.10 0.06 0.77 -0.75 4.18 4.36 2r59A1 ILE 173 HB 0.04 0.01 0.24 -0.04 1.89 2.15 2r59A1 ILE 173 HG12 0.06 0.02 0.21 -0.04 1.49 1.73 2r59A1 ILE 173 HG13 0.05 -0.03 0.12 -0.04 1.21 1.32 2r59A1 ILE 173 HG23 0.06 0.04 0.02 -0.04 0.93 1.01 2r59A1 ILE 173 HD13 0.11 0.06 0.13 -0.04 0.88 1.13 2r59A1 ARG 174 H 0.12 0.09 0.22 -0.55 8.46 8.34 2r59A1 ARG 174 HA -0.02 0.14 0.56 -0.75 4.34 4.27 2r59A1 ARG 174 HB2 0.10 -0.04 0.21 -0.04 1.90 2.13 2r59A1 ARG 174 HB3 0.03 -0.05 0.10 -0.04 1.80 1.84 2r59A1 ARG 174 HG2 0.12 0.07 0.10 -0.04 1.67 1.91 2r59A1 ARG 174 HG3 0.15 0.04 0.11 -0.04 1.67 1.93 2r59A1 ARG 174 HD2 0.21 -0.04 0.03 -0.04 3.22 3.39 2r59A1 ARG 174 HD3 0.08 0.02 0.02 -0.04 3.22 3.30 2r59A1 ASP 175 H -0.25 0.78 0.27 -0.55 8.40 8.65 2r59A1 ASP 175 HA -0.02 0.15 0.81 -0.75 4.63 4.81 2r59A1 ASP 175 HB2 -0.01 0.04 -0.25 -0.04 2.71 2.44 2r59A1 ASP 175 HB3 -0.07 -0.08 -0.30 -0.04 2.70 2.21 2r59A1 GLY 176 H -0.05 0.07 -0.07 -0.55 8.43 7.82 2r59A1 GLY 176 HA2 -0.03 -0.00 0.36 -0.51 4.01 3.83 2r59A1 GLY 176 HA3 -0.05 0.20 0.74 -0.51 4.01 4.38 2r59A1 GLU 177 H -0.08 0.26 0.24 -0.55 8.60 8.48 2r59A1 GLU 177 HA -0.27 0.29 0.91 -0.75 4.29 4.47 2r59A1 GLU 177 HB2 -0.71 0.06 0.11 -0.04 2.09 1.52 2r59A1 GLU 177 HB3 -0.25 -0.02 -0.03 -0.04 1.99 1.65 2r59A1 GLU 177 HG2 -0.05 -0.09 0.06 -0.04 2.34 2.22 2r59A1 GLU 177 HG3 -0.13 0.02 -0.08 -0.04 2.34 2.11 2r59A1 THR 178 H -0.21 0.58 0.36 -0.55 8.28 8.46 2r59A1 THR 178 HA -0.09 0.17 0.80 -0.75 4.39 4.52 2r59A1 THR 178 HB -0.05 0.09 0.15 -0.04 4.32 4.47 2r59A1 THR 178 HG23 -0.05 -0.03 -0.12 -0.04 1.22 0.98 2r59A1 PRO 179 HA -0.05 0.19 0.74 -0.51 4.44 4.81 2r59A1 PRO 179 HB2 -0.02 -0.01 -0.09 -0.04 2.28 2.12 2r59A1 PRO 179 HB3 -0.02 0.08 0.14 -0.04 2.02 2.18 2r59A1 PRO 179 HG2 -0.02 0.01 0.09 -0.04 2.03 2.07 2r59A1 PRO 179 HG3 -0.03 0.05 0.11 -0.04 2.03 2.13 2r59A1 PRO 179 HD2 -0.04 0.08 0.24 -0.04 3.68 3.92 2r59A1 PRO 179 HD3 -0.05 0.13 0.21 -0.04 3.65 3.90 2r59A1 ASP 180 H -0.02 0.68 0.21 -0.55 8.40 8.73 2r59A1 ASP 180 HA -0.01 0.11 0.45 -0.75 4.63 4.42 2r59A1 ASP 180 HB2 0.00 -0.02 -0.28 -0.04 2.71 2.37 2r59A1 ASP 180 HB3 0.00 0.29 0.17 -0.04 2.70 3.12 2r59A1 PRO 181 HA -0.00 0.06 0.29 -0.51 4.44 4.28 2r59A1 PRO 181 HB2 0.00 0.00 -0.05 -0.04 2.28 2.19 2r59A1 PRO 181 HB3 -0.00 0.02 0.07 -0.04 2.02 2.07 2r59A1 PRO 181 HG2 -0.00 0.01 0.04 -0.04 2.03 2.04 2r59A1 PRO 181 HG3 -0.01 0.06 0.06 -0.04 2.03 2.10 2r59A1 PRO 181 HD2 -0.00 0.02 0.15 -0.04 3.68 3.81 2r59A1 PRO 181 HD3 -0.02 0.52 0.33 -0.04 3.65 4.43 2r59A1 GLU 182 H 0.00 0.04 -0.64 -0.55 8.60 7.46 2r59A1 GLU 182 HA 0.00 0.26 0.98 -0.75 4.29 4.78 2r59A1 GLU 182 HB2 0.00 0.01 0.11 -0.04 2.09 2.17 2r59A1 GLU 182 HB3 0.00 -0.02 -0.13 -0.04 1.99 1.80 2r59A1 GLU 182 HG2 0.00 -0.02 -0.14 -0.04 2.34 2.14 2r59A1 GLU 182 HG3 0.00 0.00 -0.04 -0.04 2.34 2.26 2r59A1 ASP 183 H 0.00 0.70 -0.21 -0.55 8.40 8.35 2r59A1 ASP 183 HA 0.01 0.07 0.36 -0.75 4.63 4.31 2r59A1 ASP 183 HB2 0.01 0.33 0.19 -0.04 2.71 3.19 2r59A1 ASP 183 HB3 0.01 -0.07 -0.04 -0.04 2.70 2.56 2r59A1 PRO 184 HA 0.00 0.15 0.43 -0.51 4.44 4.51 2r59A1 PRO 184 HB2 0.01 0.03 0.08 -0.04 2.28 2.36 2r59A1 PRO 184 HB3 0.00 0.05 0.10 -0.04 2.02 2.13 2r59A1 PRO 184 HG2 0.01 0.02 0.01 -0.04 2.03 2.03 2r59A1 PRO 184 HG3 0.01 0.05 0.05 -0.04 2.03 2.09 2r59A1 PRO 184 HD2 0.01 0.10 0.15 -0.04 3.68 3.90 2r59A1 PRO 184 HD3 0.00 0.17 0.09 -0.04 3.65 3.87 2r59A1 SER 185 H 0.02 0.07 -0.44 -0.55 8.46 7.56 2r59A1 SER 185 HA 0.02 0.17 0.79 -0.75 4.49 4.72 2r59A1 SER 185 HB2 0.03 -0.02 0.18 -0.04 3.95 4.10 2r59A1 SER 185 HB3 0.02 -0.00 0.06 -0.04 3.93 3.97 2r59A1 ARG 186 H 0.02 0.43 -0.12 -0.55 8.46 8.24 2r59A1 ARG 186 HA 0.05 0.13 1.02 -0.75 4.34 4.78 2r59A1 ARG 186 HB2 0.02 0.06 0.05 -0.04 1.90 2.00 2r59A1 ARG 186 HB3 0.04 0.05 0.00 -0.04 1.80 1.86 2r59A1 ARG 186 HG2 0.06 0.02 -0.24 -0.04 1.67 1.47 2r59A1 ARG 186 HG3 0.04 -0.15 -0.38 -0.04 1.67 1.13 2r59A1 ARG 186 HD2 0.04 -0.03 -0.12 -0.04 3.22 3.07 2r59A1 ARG 186 HD3 0.03 0.01 -0.12 -0.04 3.22 3.09 2r59A1 LYS 187 H 0.05 0.62 0.28 -0.55 8.42 8.82 2r59A1 LYS 187 HA -0.07 0.18 0.99 -0.75 4.32 4.66 2r59A1 LYS 187 HB2 0.02 0.04 0.05 -0.04 1.87 1.94 2r59A1 LYS 187 HB3 -0.32 0.01 -0.10 -0.04 1.79 1.34 2r59A1 LYS 187 HG2 -0.18 -0.00 -0.15 -0.04 1.46 1.09 2r59A1 LYS 187 HG3 -0.05 -0.04 -0.10 -0.04 1.46 1.22 2r59A1 LYS 187 HD2 0.05 0.14 0.02 -0.04 1.69 1.86 2r59A1 LYS 187 HD3 -0.29 -0.05 -0.04 -0.04 1.68 1.26 2r59A1 LYS 187 HE2 -0.04 -0.07 -0.05 -0.04 2.99 2.79 2r59A1 LYS 187 HE3 0.01 0.03 0.01 -0.04 2.99 3.00 2r59A1 ILE 188 H -0.14 0.78 0.26 -0.55 8.25 8.60 2r59A1 ILE 188 HA 0.03 0.26 0.80 -0.75 4.18 4.52 2r59A1 ILE 188 HB -0.05 0.03 0.06 -0.04 1.89 1.89 2r59A1 ILE 188 HG12 0.02 0.02 -0.15 -0.04 1.49 1.33 2r59A1 ILE 188 HG13 -0.00 -0.08 -0.27 -0.04 1.21 0.81 2r59A1 ILE 188 HG23 0.01 -0.02 -0.23 -0.04 0.93 0.65 2r59A1 ILE 188 HD13 0.00 0.01 -0.06 -0.04 0.88 0.79 2r59A1 TYR 189 H 0.21 0.57 0.33 -0.55 8.29 8.86 2r59A1 TYR 189 HA -0.13 0.21 1.12 -0.75 4.56 5.01 2r59A1 TYR 189 HB2 0.15 -0.06 0.12 -0.04 3.06 3.23 2r59A1 TYR 189 HB3 -0.33 0.08 0.04 -0.04 2.98 2.73 2r59A1 TYR 189 HD2 -0.02 0.06 0.02 -0.04 7.15 7.17 2r59A1 TYR 189 HE2 0.03 0.09 0.01 -0.04 6.85 6.93 2r59A1 LYS 190 H -0.29 0.59 0.24 -0.55 8.42 8.40 2r59A1 LYS 190 HA -0.05 0.32 1.07 -0.75 4.32 4.90 2r59A1 LYS 190 HB2 -0.11 0.15 -0.15 -0.04 1.87 1.72 2r59A1 LYS 190 HB3 -0.02 -0.01 0.06 -0.04 1.79 1.78 2r59A1 LYS 190 HG2 0.02 -0.01 -0.08 -0.04 1.46 1.35 2r59A1 LYS 190 HG3 -0.06 -0.11 -0.42 -0.04 1.46 0.84 2r59A1 LYS 190 HD2 -0.00 -0.06 -0.09 -0.04 1.69 1.50 2r59A1 LYS 190 HD3 -0.04 -0.03 -0.15 -0.04 1.68 1.42 2r59A1 LYS 190 HE2 -0.02 0.10 -0.00 -0.04 2.99 3.02 2r59A1 LYS 190 HE3 0.01 -0.06 -0.03 -0.04 2.99 2.87 2r59A1 PHE 191 H 0.11 0.45 0.39 -0.55 8.34 8.74 2r59A1 PHE 191 HA 0.03 0.27 0.87 -0.75 4.62 5.04 2r59A1 PHE 191 HB2 0.12 -0.05 -0.12 -0.04 3.15 3.06 2r59A1 PHE 191 HB3 0.03 0.01 -0.22 -0.04 3.06 2.84 2r59A1 PHE 191 HD2 0.04 0.05 -0.34 -0.04 7.28 6.99 2r59A1 PHE 191 HE2 -0.02 -0.01 -0.16 -0.04 7.38 7.15 2r59A1 PHE 191 HZ -0.15 0.21 -0.43 -0.04 7.32 6.91 2r59A1 ILE 192 H 0.09 0.58 0.23 -0.55 8.25 8.60 2r59A1 ILE 192 HA -0.01 0.21 0.98 -0.75 4.18 4.60 2r59A1 ILE 192 HB 0.04 0.03 -0.03 -0.04 1.89 1.88 2r59A1 ILE 192 HG12 0.00 -0.02 -0.05 -0.04 1.49 1.38 2r59A1 ILE 192 HG13 -0.02 -0.07 -0.34 -0.04 1.21 0.75 2r59A1 ILE 192 HG23 0.02 -0.01 0.01 -0.04 0.93 0.91 2r59A1 ILE 192 HD13 0.04 0.04 -0.02 -0.04 0.88 0.89 2r59A1 GLN 193 H -0.30 0.90 0.34 -0.55 8.47 8.86 2r59A1 GLN 193 HA -0.12 0.08 1.08 -0.75 4.36 4.64 2r59A1 GLN 193 HB2 -0.67 0.05 0.12 -0.04 2.15 1.61 2r59A1 GLN 193 HB3 -0.90 -0.06 0.27 -0.04 2.02 1.29 2r59A1 GLN 193 HG2 -0.04 0.07 0.08 -0.04 2.40 2.47 2r59A1 GLN 193 HG3 -0.01 0.16 0.02 -0.04 2.39 2.51 2r59A1 GLN 193 HE21 0.13 -0.11 -0.10 -0.04 6.97 6.85 2r59A1 GLN 193 HE22 -0.02 0.52 0.08 -0.04 7.69 8.23 2r59A1 LYS 194 H -0.03 0.17 0.10 -0.55 8.42 8.11 2r59A1 LYS 194 HA -0.01 0.11 0.53 -0.75 4.32 4.19 2r59A1 LYS 194 HB2 -0.05 0.03 0.05 -0.04 1.87 1.86 2r59A1 LYS 194 HB3 -0.06 0.02 0.10 -0.04 1.79 1.80 2r59A1 LYS 194 HG2 -0.02 0.00 -0.03 -0.04 1.46 1.37 2r59A1 LYS 194 HG3 -0.02 -0.05 -0.10 -0.04 1.46 1.25 2r59A1 LYS 194 HD2 -0.03 0.03 0.00 -0.04 1.69 1.64 2r59A1 LYS 194 HD3 -0.04 -0.01 -0.00 -0.04 1.68 1.59 2r59A1 LYS 194 HE2 -0.01 -0.02 -0.03 -0.04 2.99 2.89 2r59A1 LYS 194 HE3 -0.01 0.02 -0.01 -0.04 2.99 2.95 2r59A1 VAL 195 H 0.01 0.02 -0.10 -0.55 8.24 7.61 2r59A1 VAL 195 HA -0.15 0.19 0.82 -0.75 4.13 4.24 2r59A1 VAL 195 HB -0.03 -0.05 0.06 -0.04 2.12 2.06 2r59A1 VAL 195 HG13 -0.58 0.06 -0.06 -0.04 0.97 0.34 2r59A1 VAL 195 HG23 -0.45 -0.03 -0.05 -0.04 0.95 0.38 2r59A1 PRO 196 HA 0.06 0.17 -0.05 -0.51 4.44 4.10 2r59A1 PRO 196 HB2 0.06 0.05 -0.07 -0.04 2.28 2.28 2r59A1 PRO 196 HB3 0.02 0.03 -0.25 -0.04 2.02 1.78 2r59A1 PRO 196 HG2 -0.08 0.05 0.08 -0.04 2.03 2.04 2r59A1 PRO 196 HG3 -0.05 0.01 0.02 -0.04 2.03 1.96 2r59A1 PRO 196 HD2 -0.05 0.09 0.21 -0.04 3.68 3.89 2r59A1 PRO 196 HD3 -0.15 0.16 0.27 -0.04 3.65 3.90 2r59A1 ILE 197 H 0.08 0.65 0.39 -0.55 8.25 8.82 2r59A1 ILE 197 HA 0.08 0.26 0.85 -0.75 4.18 4.61 2r59A1 ILE 197 HB -0.07 -0.01 0.05 -0.04 1.89 1.82 2r59A1 ILE 197 HG12 0.14 0.11 0.07 -0.04 1.49 1.78 2r59A1 ILE 197 HG13 0.07 -0.09 -0.02 -0.04 1.21 1.13 2r59A1 ILE 197 HG23 0.23 0.05 -0.16 -0.04 0.93 1.01 2r59A1 ILE 197 HD13 0.13 -0.03 -0.16 -0.04 0.88 0.78 2r59A1 PRO 198 HA -0.03 0.42 0.74 -0.51 4.44 5.06 2r59A1 PRO 198 HB2 -0.05 -0.25 0.07 -0.04 2.28 2.00 2r59A1 PRO 198 HB3 -0.01 0.19 0.20 -0.04 2.02 2.36 2r59A1 PRO 198 HG2 -0.87 -0.13 0.05 -0.04 2.03 1.03 2r59A1 PRO 198 HG3 -0.20 0.13 0.08 -0.04 2.03 1.99 2r59A1 PRO 198 HD2 -0.16 0.13 0.26 -0.04 3.68 3.87 2r59A1 PRO 198 HD3 -0.05 0.28 0.14 -0.04 3.65 3.98 2r59A1 CYS 199 H 0.00 0.25 0.18 -0.55 8.50 8.39 2r59A1 CYS 199 HA -0.07 0.18 0.37 -0.75 4.58 4.31 2r59A1 CYS 199 HB2 -0.04 -0.01 -0.01 -0.04 2.97 2.87 2r59A1 CYS 199 HB3 -0.03 0.10 0.06 -0.04 2.97 3.06 2r59A1 TYR 200 H 0.14 0.10 -0.34 -0.55 8.29 7.64 2r59A1 TYR 200 HA 0.03 0.01 0.33 -0.75 4.56 4.17 2r59A1 TYR 200 HB2 0.10 -0.11 -0.06 -0.04 3.06 2.95 2r59A1 TYR 200 HB3 0.26 0.08 0.03 -0.04 2.98 3.31 2r59A1 TYR 200 HD2 0.12 -0.07 -0.15 -0.04 7.15 7.00 2r59A1 TYR 200 HE2 -0.02 0.03 -0.06 -0.04 6.85 6.76 2r59A1 LEU 201 H -0.31 0.44 -0.59 -0.55 8.37 7.36 2r59A1 LEU 201 HA -0.18 0.04 0.49 -0.75 4.35 3.94 2r59A1 LEU 201 HB2 -0.26 0.20 0.01 -0.04 1.64 1.54 2r59A1 LEU 201 HB3 -0.25 0.00 0.12 -0.04 1.64 1.48 2r59A1 LEU 201 HG -1.03 -0.11 -0.14 -0.04 1.64 0.33 2r59A1 LEU 201 HD13 -0.31 0.03 0.02 -0.04 0.93 0.63 2r59A1 LEU 201 HD23 -0.17 0.01 -0.22 -0.04 0.89 0.46 2r59A1 ILE 202 H -0.12 0.37 -0.28 -0.55 8.25 7.67 2r59A1 ILE 202 HA -0.16 0.08 0.56 -0.75 4.18 3.91 2r59A1 ILE 202 HB -0.17 0.05 0.07 -0.04 1.89 1.80 2r59A1 ILE 202 HG12 -0.54 0.04 -0.07 -0.04 1.49 0.89 2r59A1 ILE 202 HG13 -0.17 0.00 -0.00 -0.04 1.21 1.00 2r59A1 ILE 202 HG23 -0.36 -0.02 -0.22 -0.04 0.93 0.28 2r59A1 ILE 202 HD13 -0.27 -0.01 -0.08 -0.04 0.88 0.47 2r59A1 ALA 203 H -0.11 0.16 0.21 -0.55 8.40 8.12 2r59A1 ALA 203 HA -0.08 0.11 0.63 -0.75 4.34 4.24 2r59A1 ALA 203 HB3 -0.30 0.01 -0.11 -0.04 1.41 0.97 2r59A1 LEU 204 H 0.07 0.21 0.13 -0.55 8.37 8.24 2r59A1 LEU 204 HA -0.14 0.33 0.88 -0.75 4.35 4.67 2r59A1 LEU 204 HB2 -0.13 0.04 -0.27 -0.04 1.64 1.24 2r59A1 LEU 204 HB3 -0.09 -0.06 -0.10 -0.04 1.64 1.35 2r59A1 LEU 204 HG -0.15 -0.02 -0.49 -0.04 1.64 0.95 2r59A1 LEU 204 HD13 -0.17 0.04 -0.11 -0.04 0.93 0.65 2r59A1 LEU 204 HD23 -0.11 -0.01 -0.23 -0.04 0.89 0.51 2r59A1 VAL 205 H -0.16 0.61 0.30 -0.55 8.24 8.43 2r59A1 VAL 205 HA -0.13 0.28 0.84 -0.75 4.13 4.36 2r59A1 VAL 205 HB -0.29 -0.00 0.00 -0.04 2.12 1.79 2r59A1 VAL 205 HG13 -0.29 -0.00 -0.08 -0.04 0.97 0.55 2r59A1 VAL 205 HG23 -0.38 0.01 -0.12 -0.04 0.95 0.41 2r59A1 VAL 206 H -0.29 0.66 0.32 -0.55 8.24 8.38 2r59A1 VAL 206 HA -0.20 0.38 0.99 -0.75 4.13 4.54 2r59A1 VAL 206 HB 0.04 -0.07 0.09 -0.04 2.12 2.14 2r59A1 VAL 206 HG13 0.17 -0.00 -0.19 -0.04 0.97 0.90 2r59A1 VAL 206 HG23 -0.09 -0.01 -0.23 -0.04 0.95 0.57 2r59A1 GLY 207 H -0.22 0.64 0.33 -0.55 8.43 8.64 2r59A1 GLY 207 HA2 -0.16 0.23 0.59 -0.51 4.01 4.16 2r59A1 GLY 207 HA3 -0.48 0.01 0.32 -0.51 4.01 3.35 2r59A1 ALA 208 H 0.10 0.19 0.12 -0.55 8.40 8.26 2r59A1 ALA 208 HA -0.03 0.21 0.61 -0.75 4.34 4.37 2r59A1 ALA 208 HB3 0.11 -0.02 0.20 -0.04 1.41 1.67 2r59A1 LEU 209 H 0.05 0.32 0.22 -0.55 8.37 8.41 2r59A1 LEU 209 HA 0.16 0.13 0.39 -0.75 4.35 4.27 2r59A1 LEU 209 HB2 0.12 0.02 -0.02 -0.04 1.64 1.72 2r59A1 LEU 209 HB3 0.41 0.04 -0.12 -0.04 1.64 1.93 2r59A1 LEU 209 HG -0.06 -0.11 -0.45 -0.04 1.64 0.98 2r59A1 LEU 209 HD13 -0.25 0.02 -0.24 -0.04 0.93 0.41 2r59A1 LEU 209 HD23 0.15 -0.00 -0.38 -0.04 0.89 0.62 2r59A1 GLU 210 H 0.16 0.64 0.38 -0.55 8.60 9.22 2r59A1 GLU 210 HA 0.07 0.18 0.75 -0.75 4.29 4.54 2r59A1 GLU 210 HB2 0.02 -0.04 -0.00 -0.04 2.09 2.03 2r59A1 GLU 210 HB3 -0.03 0.03 0.10 -0.04 1.99 2.05 2r59A1 GLU 210 HG2 0.06 0.13 0.02 -0.04 2.34 2.50 2r59A1 GLU 210 HG3 0.07 -0.06 -0.18 -0.04 2.34 2.12 2r59A1 SER 211 H -0.27 0.23 0.21 -0.55 8.46 8.08 2r59A1 SER 211 HA -0.56 0.42 1.14 -0.75 4.49 4.74 2r59A1 SER 211 HB2 -1.18 -0.02 -0.08 -0.04 3.95 2.62 2r59A1 SER 211 HB3 -3.08 0.01 -0.17 -0.04 3.93 0.65 2r59A1 ARG 212 H -0.30 0.61 0.36 -0.55 8.46 8.58 2r59A1 ARG 212 HA -0.14 0.13 0.80 -0.75 4.34 4.38 2r59A1 ARG 212 HB2 -0.07 0.01 -0.09 -0.04 1.90 1.70 2r59A1 ARG 212 HB3 -0.06 -0.03 0.04 -0.04 1.80 1.71 2r59A1 ARG 212 HG2 -0.02 0.11 -0.24 -0.04 1.67 1.47 2r59A1 ARG 212 HG3 -0.04 -0.04 0.10 -0.04 1.67 1.64 2r59A1 ARG 212 HD2 -0.02 -0.02 -0.01 -0.04 3.22 3.12 2r59A1 ARG 212 HD3 -0.01 -0.05 -0.09 -0.04 3.22 3.04 2r59A1 GLN 213 H -0.07 0.16 0.17 -0.55 8.47 8.18 2r59A1 GLN 213 HA -0.05 0.11 0.69 -0.75 4.36 4.36 2r59A1 GLN 213 HB2 -0.04 -0.00 0.08 -0.04 2.15 2.15 2r59A1 GLN 213 HB3 -0.02 -0.02 0.15 -0.04 2.02 2.09 2r59A1 GLN 213 HG2 0.01 -0.04 -0.13 -0.04 2.40 2.19 2r59A1 GLN 213 HG3 0.01 0.01 0.10 -0.04 2.39 2.47 2r59A1 GLN 213 HE21 0.03 0.02 0.00 -0.04 6.97 6.98 2r59A1 GLN 213 HE22 0.03 0.27 0.02 -0.04 7.69 7.97 2r59A1 ILE 214 H 0.02 0.64 0.50 -0.55 8.25 8.86 2r59A1 ILE 214 HA 0.02 0.23 1.07 -0.75 4.18 4.75 2r59A1 ILE 214 HB 0.06 0.01 0.16 -0.04 1.89 2.07 2r59A1 ILE 214 HG12 0.06 0.03 -0.13 -0.04 1.49 1.41 2r59A1 ILE 214 HG13 0.08 -0.05 -0.24 -0.04 1.21 0.95 2r59A1 ILE 214 HG23 0.04 0.02 -0.21 -0.04 0.93 0.74 2r59A1 ILE 214 HD13 0.15 0.02 -0.16 -0.04 0.88 0.85 2r59A1 GLY 215 H 0.04 0.36 0.37 -0.55 8.43 8.65 2r59A1 GLY 215 HA2 0.04 0.16 0.49 -0.51 4.01 4.18 2r59A1 GLY 215 HA3 0.05 -0.02 0.44 -0.51 4.01 3.96 2r59A1 PRO 216 HA 0.04 0.10 0.45 -0.51 4.44 4.51 2r59A1 PRO 216 HB2 0.04 0.08 0.02 -0.04 2.28 2.38 2r59A1 PRO 216 HB3 0.03 0.04 0.12 -0.04 2.02 2.17 2r59A1 PRO 216 HG2 0.04 0.03 0.10 -0.04 2.03 2.16 2r59A1 PRO 216 HG3 0.03 0.07 0.09 -0.04 2.03 2.18 2r59A1 PRO 216 HD2 0.04 0.07 0.27 -0.04 3.68 4.01 2r59A1 PRO 216 HD3 0.03 0.16 0.18 -0.04 3.65 3.98 2r59A1 ARG 217 H 0.06 0.05 -0.25 -0.55 8.46 7.76 2r59A1 ARG 217 HA 0.09 0.29 0.93 -0.75 4.34 4.90 2r59A1 ARG 217 HB2 0.13 0.03 0.28 -0.04 1.90 2.30 2r59A1 ARG 217 HB3 0.10 0.07 -0.04 -0.04 1.80 1.88 2r59A1 ARG 217 HG2 0.05 -0.12 -0.01 -0.04 1.67 1.55 2r59A1 ARG 217 HG3 0.06 -0.01 -0.05 -0.04 1.67 1.62 2r59A1 ARG 217 HD2 0.02 0.07 -0.02 -0.04 3.22 3.26 2r59A1 ARG 217 HD3 0.09 0.04 -0.01 -0.04 3.22 3.30 2r59A1 THR 218 H 0.07 0.33 -0.20 -0.55 8.28 7.94 2r59A1 THR 218 HA 0.11 0.27 0.89 -0.75 4.39 4.91 2r59A1 THR 218 HB 0.09 -0.18 -0.00 -0.04 4.32 4.19 2r59A1 THR 218 HG23 0.11 0.02 -0.18 -0.04 1.22 1.13 2r59A1 LEU 219 H 0.10 0.24 0.16 -0.55 8.37 8.32 2r59A1 LEU 219 HA -0.07 0.18 1.01 -0.75 4.35 4.72 2r59A1 LEU 219 HB2 0.09 -0.00 0.04 -0.04 1.64 1.72 2r59A1 LEU 219 HB3 -0.55 0.06 -0.19 -0.04 1.64 0.92 2r59A1 LEU 219 HG -0.26 -0.03 -0.21 -0.04 1.64 1.10 2r59A1 LEU 219 HD13 -0.00 -0.00 -0.22 -0.04 0.93 0.66 2r59A1 LEU 219 HD23 0.03 0.01 -0.09 -0.04 0.89 0.80 2r59A1 VAL 220 H -0.10 0.67 0.33 -0.55 8.24 8.59 2r59A1 VAL 220 HA 0.08 0.29 1.12 -0.75 4.13 4.86 2r59A1 VAL 220 HB 0.13 0.00 -0.06 -0.04 2.12 2.15 2r59A1 VAL 220 HG13 0.02 0.02 -0.05 -0.04 0.97 0.92 2r59A1 VAL 220 HG23 0.19 -0.01 -0.20 -0.04 0.95 0.89 2r59A1 TRP 221 H 0.24 0.63 0.35 -0.55 7.97 8.65 2r59A1 TRP 221 HA 0.01 0.32 1.00 -0.75 4.62 5.20 2r59A1 TRP 221 HB2 -0.05 0.01 0.17 -0.04 3.23 3.32 2r59A1 TRP 221 HB3 -0.04 -0.01 -0.05 -0.04 3.23 3.09 2r59A1 TRP 221 HD1 -0.02 0.14 -0.17 -0.04 7.22 7.13 2r59A1 TRP 221 HE1 0.02 -0.01 -0.10 -0.04 10.20 10.06 2r59A1 TRP 221 HE3 -0.02 0.01 -0.30 -0.04 7.59 7.25 2r59A1 TRP 221 HZ2 0.04 -0.01 -0.07 -0.04 7.44 7.35 2r59A1 TRP 221 HZ3 -0.00 0.06 -0.23 -0.04 7.13 6.92 2r59A1 TRP 221 HH2 0.03 0.01 -0.08 -0.04 7.19 7.11 2r59A1 SER 222 H 0.16 0.59 0.32 -0.55 8.46 9.00 2r59A1 SER 222 HA 0.13 0.18 0.26 -0.75 4.49 4.30 2r59A1 SER 222 HB2 0.06 -0.03 0.21 -0.04 3.95 4.15 2r59A1 SER 222 HB3 0.09 0.06 0.10 -0.04 3.93 4.15 2r59A1 GLU 223 H 0.09 0.18 0.13 -0.55 8.60 8.45 2r59A1 GLU 223 HA 0.11 0.37 0.83 -0.75 4.29 4.85 2r59A1 GLU 223 HB2 0.05 0.01 0.17 -0.04 2.09 2.29 2r59A1 GLU 223 HB3 0.07 -0.11 0.14 -0.04 1.99 2.05 2r59A1 GLU 223 HG2 0.15 0.22 0.19 -0.04 2.34 2.85 2r59A1 GLU 223 HG3 0.19 0.05 0.05 -0.04 2.34 2.59 2r59A1 LYS 224 H 0.07 0.25 0.19 -0.55 8.42 8.37 2r59A1 LYS 224 HA 0.04 0.09 0.30 -0.75 4.32 3.99 2r59A1 LYS 224 HB2 0.05 0.08 0.15 -0.04 1.87 2.11 2r59A1 LYS 224 HB3 0.04 -0.01 0.12 -0.04 1.79 1.90 2r59A1 LYS 224 HG2 0.02 -0.00 -0.14 -0.04 1.46 1.30 2r59A1 LYS 224 HG3 0.02 -0.01 0.06 -0.04 1.46 1.49 2r59A1 LYS 224 HD2 0.02 0.01 -0.00 -0.04 1.69 1.67 2r59A1 LYS 224 HD3 0.03 0.03 0.02 -0.04 1.68 1.72 2r59A1 LYS 224 HE2 0.04 -0.01 0.03 -0.04 2.99 3.02 2r59A1 LYS 224 HE3 0.03 -0.01 -0.01 -0.04 2.99 2.96 2r59A1 GLU 225 H 0.04 0.07 -0.21 -0.55 8.60 7.95 2r59A1 GLU 225 HA 0.02 0.08 0.26 -0.75 4.29 3.89 2r59A1 GLU 225 HB2 0.02 -0.05 -0.01 -0.04 2.09 2.00 2r59A1 GLU 225 HB3 0.01 0.07 0.02 -0.04 1.99 2.05 2r59A1 GLU 225 HG2 0.02 0.15 -0.01 -0.04 2.34 2.45 2r59A1 GLU 225 HG3 0.02 0.02 0.01 -0.04 2.34 2.34 2r59A1 GLN 226 H 0.03 0.32 -0.45 -0.55 8.47 7.83 2r59A1 GLN 226 HA 0.02 0.15 0.80 -0.75 4.36 4.58 2r59A1 GLN 226 HB2 0.04 0.03 0.06 -0.04 2.15 2.24 2r59A1 GLN 226 HB3 0.05 -0.03 0.05 -0.04 2.02 2.05 2r59A1 GLN 226 HG2 0.02 0.08 -0.00 -0.04 2.40 2.46 2r59A1 GLN 226 HG3 0.02 0.02 0.01 -0.04 2.39 2.40 2r59A1 GLN 226 HE21 0.01 0.01 -0.13 -0.04 6.97 6.82 2r59A1 GLN 226 HE22 0.01 0.07 -0.16 -0.04 7.69 7.58 2r59A1 VAL 227 H 0.02 0.49 -0.14 -0.55 8.24 8.06 2r59A1 VAL 227 HA 0.03 0.05 0.02 -0.75 4.13 3.47 2r59A1 VAL 227 HB 0.00 0.08 0.06 -0.04 2.12 2.22 2r59A1 VAL 227 HG13 -0.02 0.00 -0.29 -0.04 0.97 0.62 2r59A1 VAL 227 HG23 0.01 0.04 -0.23 -0.04 0.95 0.74 2r59A1 GLU 228 H 0.01 0.21 -0.14 -0.55 8.60 8.13 2r59A1 GLU 228 HA 0.01 0.08 0.33 -0.75 4.29 3.96 2r59A1 GLU 228 HB2 -0.00 0.03 0.07 -0.04 2.09 2.15 2r59A1 GLU 228 HB3 -0.01 0.01 0.07 -0.04 1.99 2.02 2r59A1 GLU 228 HG2 -0.02 -0.01 -0.16 -0.04 2.34 2.11 2r59A1 GLU 228 HG3 -0.00 0.01 0.02 -0.04 2.34 2.32 2r59A1 LYS 229 H -0.00 0.15 -0.23 -0.55 8.42 7.79 2r59A1 LYS 229 HA -0.01 0.05 0.43 -0.75 4.32 4.04 2r59A1 LYS 229 HB2 -0.01 0.04 0.10 -0.04 1.87 1.95 2r59A1 LYS 229 HB3 -0.01 0.09 0.05 -0.04 1.79 1.89 2r59A1 LYS 229 HG2 -0.03 -0.09 -0.05 -0.04 1.46 1.25 2r59A1 LYS 229 HG3 -0.02 -0.02 0.06 -0.04 1.46 1.43 2r59A1 LYS 229 HD2 -0.02 0.02 0.02 -0.04 1.69 1.67 2r59A1 LYS 229 HD3 -0.01 0.05 0.02 -0.04 1.68 1.70 2r59A1 LYS 229 HE2 -0.01 -0.22 -0.10 -0.04 2.99 2.62 2r59A1 LYS 229 HE3 -0.02 -0.01 -0.04 -0.04 2.99 2.88 2r59A1 SER 230 H 0.01 0.57 -0.23 -0.55 8.46 8.27 2r59A1 SER 230 HA -0.27 -0.05 0.45 -0.75 4.49 3.87 2r59A1 SER 230 HB2 0.10 0.09 -0.01 -0.04 3.95 4.09 2r59A1 SER 230 HB3 0.31 -0.06 -0.07 -0.04 3.93 4.08 2r59A1 ALA 231 H 0.03 0.59 -0.16 -0.55 8.40 8.32 2r59A1 ALA 231 HA 0.08 0.01 0.22 -0.75 4.34 3.90 2r59A1 ALA 231 HB3 0.04 0.02 0.03 -0.04 1.41 1.46 2r59A1 TYR 232 H 0.10 0.38 -0.28 -0.55 8.29 7.95 2r59A1 TYR 232 HA -0.02 0.07 0.48 -0.75 4.56 4.34 2r59A1 TYR 232 HB2 -0.04 0.03 0.08 -0.04 3.06 3.09 2r59A1 TYR 232 HB3 -0.07 0.07 0.12 -0.04 2.98 3.05 2r59A1 TYR 232 HD2 -0.04 -0.03 -0.11 -0.04 7.15 6.93 2r59A1 TYR 232 HE2 -0.01 0.04 -0.08 -0.04 6.85 6.75 2r59A1 GLU 233 H -0.10 0.63 -0.05 -0.55 8.60 8.53 2r59A1 GLU 233 HA -0.21 -0.13 0.36 -0.75 4.29 3.56 2r59A1 GLU 233 HB2 -0.35 0.15 0.13 -0.04 2.09 1.98 2r59A1 GLU 233 HB3 -1.48 0.10 0.04 -0.04 1.99 0.60 2r59A1 GLU 233 HG2 -0.32 0.11 -0.11 -0.04 2.34 1.99 2r59A1 GLU 233 HG3 -0.24 -0.05 0.05 -0.04 2.34 2.06 2r59A1 PHE 234 H -0.21 0.57 -0.47 -0.55 8.34 7.67 2r59A1 PHE 234 HA 0.04 0.04 0.55 -0.75 4.62 4.49 2r59A1 PHE 234 HB2 0.05 0.15 -0.02 -0.04 3.15 3.28 2r59A1 PHE 234 HB3 0.08 -0.08 0.07 -0.04 3.06 3.09 2r59A1 PHE 234 HD2 0.06 0.02 -0.17 -0.04 7.28 7.15 2r59A1 PHE 234 HE2 0.06 -0.03 -0.14 -0.04 7.38 7.24 2r59A1 PHE 234 HZ 0.06 0.01 -0.15 -0.04 7.32 7.20 2r59A1 SER 235 H -0.08 0.49 -0.37 -0.55 8.46 7.94 2r59A1 SER 235 HA 0.05 0.12 0.36 -0.75 4.49 4.27 2r59A1 SER 235 HB2 -0.03 -0.06 0.17 -0.04 3.95 3.99 2r59A1 SER 235 HB3 -0.07 0.18 0.24 -0.04 3.93 4.24 2r59A1 GLU 236 H 0.05 0.12 -0.41 -0.55 8.60 7.81 2r59A1 GLU 236 HA 0.02 0.15 0.56 -0.75 4.29 4.26 2r59A1 GLU 236 HB2 0.09 0.01 -0.02 -0.04 2.09 2.13 2r59A1 GLU 236 HB3 0.04 -0.04 0.11 -0.04 1.99 2.06 2r59A1 GLU 236 HG2 0.02 0.03 0.00 -0.04 2.34 2.36 2r59A1 GLU 236 HG3 -0.00 0.01 -0.02 -0.04 2.34 2.28 2r59A1 THR 237 H 0.11 0.55 -0.38 -0.55 8.28 8.01 2r59A1 THR 237 HA 0.08 -0.02 0.28 -0.75 4.39 3.98 2r59A1 THR 237 HB 0.13 0.04 0.04 -0.04 4.32 4.50 2r59A1 THR 237 HG23 0.21 -0.00 -0.14 -0.04 1.22 1.25 2r59A1 GLU 238 H 0.05 0.27 -0.13 -0.55 8.60 8.24 2r59A1 GLU 238 HA 0.01 0.07 0.33 -0.75 4.29 3.94 2r59A1 GLU 238 HB2 0.04 -0.03 0.14 -0.04 2.09 2.19 2r59A1 GLU 238 HB3 0.03 0.08 0.14 -0.04 1.99 2.20 2r59A1 GLU 238 HG2 0.02 0.02 0.05 -0.04 2.34 2.40 2r59A1 GLU 238 HG3 0.01 0.01 -0.17 -0.04 2.34 2.16 2r59A1 SER 239 H 0.01 0.17 -0.22 -0.55 8.46 7.88 2r59A1 SER 239 HA -0.01 0.04 0.42 -0.75 4.49 4.18 2r59A1 SER 239 HB2 -0.01 0.16 0.10 -0.04 3.95 4.16 2r59A1 SER 239 HB3 -0.03 0.00 -0.04 -0.04 3.93 3.82 2r59A1 MET 240 H 0.01 0.46 -0.15 -0.55 8.47 8.24 2r59A1 MET 240 HA -0.01 0.03 0.67 -0.75 4.52 4.46 2r59A1 MET 240 HB2 0.02 0.13 0.10 -0.04 2.15 2.35 2r59A1 MET 240 HB3 0.02 -0.03 -0.06 -0.04 2.03 1.91 2r59A1 MET 240 HG2 0.03 -0.03 -0.03 -0.04 2.63 2.57 2r59A1 MET 240 HG3 0.04 0.13 -0.02 -0.04 2.56 2.66 2r59A1 MET 240 HE3 0.17 -0.01 -0.11 -0.04 2.10 2.10 2r59A1 LEU 241 H -0.04 0.68 0.01 -0.55 8.37 8.47 2r59A1 LEU 241 HA -0.02 0.04 0.48 -0.75 4.35 4.09 2r59A1 LEU 241 HB2 -0.06 0.08 0.15 -0.04 1.64 1.76 2r59A1 LEU 241 HB3 -0.09 -0.01 -0.09 -0.04 1.64 1.40 2r59A1 LEU 241 HG -0.32 0.03 -0.02 -0.04 1.64 1.28 2r59A1 LEU 241 HD13 -0.13 -0.01 -0.09 -0.04 0.93 0.66 2r59A1 LEU 241 HD23 -0.58 -0.00 -0.02 -0.04 0.89 0.25 2r59A1 LYS 242 H -0.01 0.57 -0.13 -0.55 8.42 8.29 2r59A1 LYS 242 HA 0.03 0.03 0.47 -0.75 4.32 4.10 2r59A1 LYS 242 HB2 -0.01 0.10 0.10 -0.04 1.87 2.02 2r59A1 LYS 242 HB3 0.01 -0.03 0.01 -0.04 1.79 1.73 2r59A1 LYS 242 HG2 0.01 0.14 0.12 -0.04 1.46 1.69 2r59A1 LYS 242 HG3 0.01 -0.06 0.01 -0.04 1.46 1.38 2r59A1 LYS 242 HD2 0.02 -0.00 0.02 -0.04 1.69 1.68 2r59A1 LYS 242 HD3 0.03 -0.01 0.00 -0.04 1.68 1.66 2r59A1 LYS 242 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.94 2r59A1 LYS 242 HE3 0.02 -0.00 -0.01 -0.04 2.99 2.96 2r59A1 ILE 243 H -0.02 0.46 -0.15 -0.55 8.25 7.98 2r59A1 ILE 243 HA -0.04 0.03 0.45 -0.75 4.18 3.86 2r59A1 ILE 243 HB -0.03 0.07 0.21 -0.04 1.89 2.10 2r59A1 ILE 243 HG12 -0.03 -0.04 0.04 -0.04 1.49 1.41 2r59A1 ILE 243 HG13 -0.03 0.05 0.10 -0.04 1.21 1.29 2r59A1 ILE 243 HG23 -0.03 -0.01 -0.05 -0.04 0.93 0.79 2r59A1 ILE 243 HD13 -0.06 -0.02 -0.03 -0.04 0.88 0.74 2r59A1 ALA 244 H -0.06 0.62 -0.16 -0.55 8.40 8.25 2r59A1 ALA 244 HA -0.28 -0.03 0.24 -0.75 4.34 3.51 2r59A1 ALA 244 HB3 -0.17 0.02 0.03 -0.04 1.41 1.25 2r59A1 GLU 245 H -0.03 0.48 -0.29 -0.55 8.60 8.21 2r59A1 GLU 245 HA 0.00 0.26 0.36 -0.75 4.29 4.16 2r59A1 GLU 245 HB2 0.08 0.09 0.11 -0.04 2.09 2.33 2r59A1 GLU 245 HB3 0.15 -0.08 -0.10 -0.04 1.99 1.91 2r59A1 GLU 245 HG2 0.66 0.02 0.01 -0.04 2.34 2.99 2r59A1 GLU 245 HG3 0.31 0.23 0.04 -0.04 2.34 2.87 2r59A1 ASP 246 H -0.07 0.45 -0.22 -0.55 8.40 8.02 2r59A1 ASP 246 HA -0.04 0.00 0.52 -0.75 4.63 4.36 2r59A1 ASP 246 HB2 -0.03 -0.01 0.12 -0.04 2.71 2.75 2r59A1 ASP 246 HB3 -0.07 0.14 0.18 -0.04 2.70 2.91 2r59A1 LEU 247 H -0.22 0.39 -0.22 -0.55 8.37 7.78 2r59A1 LEU 247 HA -0.13 0.01 0.45 -0.75 4.35 3.93 2r59A1 LEU 247 HB2 -0.28 0.11 0.14 -0.04 1.64 1.58 2r59A1 LEU 247 HB3 -0.17 -0.05 -0.06 -0.04 1.64 1.31 2r59A1 LEU 247 HG -0.12 -0.07 -0.01 -0.04 1.64 1.40 2r59A1 LEU 247 HD13 -0.10 0.03 -0.08 -0.04 0.93 0.73 2r59A1 LEU 247 HD23 -0.05 -0.02 -0.15 -0.04 0.89 0.63 2r59A1 GLY 248 H -0.54 0.44 -0.03 -0.55 8.43 7.75 2r59A1 GLY 248 HA2 -0.31 0.10 0.68 -0.51 4.01 3.97 2r59A1 GLY 248 HA3 -1.14 -0.04 0.21 -0.51 4.01 2.53 2r59A1 GLY 249 H -0.17 0.35 -0.01 -0.55 8.43 8.06 2r59A1 GLY 249 HA2 0.06 -0.02 0.31 -0.51 4.01 3.85 2r59A1 GLY 249 HA3 0.13 0.17 0.83 -0.51 4.01 4.63 2r59A1 PRO 250 HA 0.25 -0.07 0.36 -0.51 4.44 4.47 2r59A1 PRO 250 HB2 0.06 0.03 -0.06 -0.04 2.28 2.27 2r59A1 PRO 250 HB3 0.09 0.01 0.03 -0.04 2.02 2.11 2r59A1 PRO 250 HG2 0.05 0.04 0.06 -0.04 2.03 2.14 2r59A1 PRO 250 HG3 0.08 -0.00 0.07 -0.04 2.03 2.13 2r59A1 PRO 250 HD2 0.11 0.15 0.18 -0.04 3.68 4.08 2r59A1 PRO 250 HD3 0.09 0.09 0.18 -0.04 3.65 3.97 2r59A1 TYR 251 H 0.41 0.06 0.14 -0.55 8.29 8.36 2r59A1 TYR 251 HA -0.24 0.15 0.69 -0.75 4.56 4.41 2r59A1 TYR 251 HB2 0.30 0.06 0.09 -0.04 3.06 3.47 2r59A1 TYR 251 HB3 0.14 -0.03 0.15 -0.04 2.98 3.19 2r59A1 TYR 251 HD2 -0.22 0.06 -0.09 -0.04 7.15 6.86 2r59A1 TYR 251 HE2 0.09 0.08 -0.40 -0.04 6.85 6.57 2r59A1 VAL 252 H -0.74 0.26 0.08 -0.55 8.24 7.28 2r59A1 VAL 252 HA -0.28 0.17 0.54 -0.75 4.13 3.80 2r59A1 VAL 252 HB -0.42 -0.02 0.10 -0.04 2.12 1.74 2r59A1 VAL 252 HG13 -0.24 0.06 -0.11 -0.04 0.97 0.63 2r59A1 VAL 252 HG23 -1.35 0.02 -0.07 -0.04 0.95 -0.50 2r59A1 TRP 253 H -0.98 0.07 -0.24 -0.55 7.97 6.27 2r59A1 TRP 253 HA -0.22 0.18 0.36 -0.75 4.62 4.19 2r59A1 TRP 253 HB2 -0.58 0.04 -0.04 -0.04 3.23 2.61 2r59A1 TRP 253 HB3 -0.16 -0.02 0.11 -0.04 3.23 3.12 2r59A1 TRP 253 HD1 -1.38 -0.08 0.03 -0.04 7.22 5.75 2r59A1 TRP 253 HE1 -0.56 0.49 0.14 -0.04 10.20 10.22 2r59A1 TRP 253 HE3 -0.13 -0.06 -0.00 -0.04 7.59 7.35 2r59A1 TRP 253 HZ2 -0.21 0.05 -0.29 -0.04 7.44 6.94 2r59A1 TRP 253 HZ3 -0.08 0.08 -0.08 -0.04 7.13 7.00 2r59A1 TRP 253 HH2 -0.09 0.24 -0.04 -0.04 7.19 7.26 2r59A1 GLY 254 H 0.01 0.12 -0.40 -0.55 8.43 7.62 2r59A1 GLY 254 HA2 0.14 0.01 0.29 -0.51 4.01 3.94 2r59A1 GLY 254 HA3 0.13 0.08 0.58 -0.51 4.01 4.30 2r59A1 GLN 255 H 0.23 0.32 0.19 -0.55 8.47 8.66 2r59A1 GLN 255 HA 0.21 0.12 0.58 -0.75 4.36 4.51 2r59A1 GLN 255 HB2 0.15 -0.06 0.13 -0.04 2.15 2.33 2r59A1 GLN 255 HB3 0.16 0.07 0.15 -0.04 2.02 2.36 2r59A1 GLN 255 HG2 0.17 -0.02 0.02 -0.04 2.40 2.53 2r59A1 GLN 255 HG3 0.15 0.03 -0.07 -0.04 2.39 2.46 2r59A1 GLN 255 HE21 0.11 -0.01 -0.21 -0.04 6.97 6.82 2r59A1 GLN 255 HE22 0.16 -0.12 -0.16 -0.04 7.69 7.53 2r59A1 TYR 256 H 0.21 0.71 0.24 -0.55 8.29 8.91 2r59A1 TYR 256 HA 0.14 0.13 0.59 -0.75 4.56 4.66 2r59A1 TYR 256 HB2 -0.28 0.01 -0.04 -0.04 3.06 2.71 2r59A1 TYR 256 HB3 -0.09 -0.07 0.10 -0.04 2.98 2.88 2r59A1 TYR 256 HD2 0.07 -0.03 -0.08 -0.04 7.15 7.07 2r59A1 TYR 256 HE2 0.02 -0.01 -0.17 -0.04 6.85 6.65 2r59A1 ASP 257 H -0.13 0.53 -0.03 -0.55 8.40 8.23 2r59A1 ASP 257 HA 0.05 -0.00 0.82 -0.75 4.63 4.74 2r59A1 ASP 257 HB2 0.08 0.27 0.20 -0.04 2.71 3.21 2r59A1 ASP 257 HB3 0.32 0.04 0.02 -0.04 2.70 3.04 2r59A1 LEU 258 H 0.09 0.64 0.40 -0.55 8.37 8.96 2r59A1 LEU 258 HA -0.12 0.29 0.89 -0.75 4.35 4.66 2r59A1 LEU 258 HB2 -0.00 -0.07 0.07 -0.04 1.64 1.59 2r59A1 LEU 258 HB3 -0.17 -0.01 -0.10 -0.04 1.64 1.33 2r59A1 LEU 258 HG -0.06 0.02 -0.31 -0.04 1.64 1.25 2r59A1 LEU 258 HD13 -0.29 -0.02 -0.11 -0.04 0.93 0.47 2r59A1 LEU 258 HD23 -0.12 0.02 -0.12 -0.04 0.89 0.62 2r59A1 LEU 259 H -0.03 0.69 0.23 -0.55 8.37 8.72 2r59A1 LEU 259 HA 0.11 0.19 0.91 -0.75 4.35 4.80 2r59A1 LEU 259 HB2 -0.10 0.01 -0.14 -0.04 1.64 1.37 2r59A1 LEU 259 HB3 -0.19 0.05 0.06 -0.04 1.64 1.51 2r59A1 LEU 259 HG -0.34 -0.02 -0.51 -0.04 1.64 0.73 2r59A1 LEU 259 HD13 -0.04 0.04 -0.19 -0.04 0.93 0.70 2r59A1 LEU 259 HD23 -0.92 -0.01 -0.16 -0.04 0.89 -0.25 2r59A1 VAL 260 H 0.05 0.68 0.25 -0.55 8.24 8.66 2r59A1 VAL 260 HA -0.07 0.18 0.88 -0.75 4.13 4.37 2r59A1 VAL 260 HB 0.08 -0.05 0.17 -0.04 2.12 2.29 2r59A1 VAL 260 HG13 0.08 0.03 -0.15 -0.04 0.97 0.89 2r59A1 VAL 260 HG23 0.27 -0.02 -0.13 -0.04 0.95 1.03 2r59A1 LEU 261 H -0.27 0.59 0.24 -0.55 8.37 8.38 2r59A1 LEU 261 HA -0.26 0.05 0.39 -0.75 4.35 3.78 2r59A1 LEU 261 HB2 -0.71 0.03 0.07 -0.04 1.64 0.98 2r59A1 LEU 261 HB3 -0.67 0.04 0.11 -0.04 1.64 1.09 2r59A1 LEU 261 HG -0.54 -0.03 -0.20 -0.04 1.64 0.83 2r59A1 LEU 261 HD13 -1.17 0.02 -0.04 -0.04 0.93 -0.31 2r59A1 LEU 261 HD23 -1.00 0.00 -0.04 -0.04 0.89 -0.19 2r59A1 PRO 262 HA -0.13 0.10 0.64 -0.51 4.44 4.54 2r59A1 PRO 262 HB2 -0.08 -0.04 0.02 -0.04 2.28 2.14 2r59A1 PRO 262 HB3 -0.19 0.14 0.19 -0.04 2.02 2.12 2r59A1 PRO 262 HG2 -0.80 0.09 -0.01 -0.04 2.03 1.26 2r59A1 PRO 262 HG3 -1.03 -0.04 0.05 -0.04 2.03 0.98 2r59A1 PRO 262 HD2 -0.44 0.10 0.13 -0.04 3.68 3.43 2r59A1 PRO 262 HD3 -0.46 0.11 0.15 -0.04 3.65 3.40 2r59A1 PRO 263 HA 0.04 -0.01 0.37 -0.51 4.44 4.33 2r59A1 PRO 263 HB2 0.04 0.17 0.04 -0.04 2.28 2.50 2r59A1 PRO 263 HB3 0.04 0.03 0.23 -0.04 2.02 2.28 2r59A1 PRO 263 HG2 0.02 0.14 0.10 -0.04 2.03 2.25 2r59A1 PRO 263 HG3 0.01 -0.04 0.10 -0.04 2.03 2.06 2r59A1 PRO 263 HD2 -0.01 0.27 0.20 -0.04 3.68 4.10 2r59A1 PRO 263 HD3 -0.04 0.03 0.27 -0.04 3.65 3.87 2r59A1 SER 264 H 0.09 0.13 -0.38 -0.55 8.46 7.76 2r59A1 SER 264 HA 0.09 0.06 0.40 -0.75 4.49 4.29 2r59A1 SER 264 HB2 0.21 -0.05 0.04 -0.04 3.95 4.11 2r59A1 SER 264 HB3 0.15 0.11 -0.02 -0.04 3.93 4.12 2r59A1 PHE 265 H 0.11 0.37 -0.41 -0.55 8.34 7.87 2r59A1 PHE 265 HA -0.08 0.08 0.37 -0.75 4.62 4.23 2r59A1 PHE 265 HB2 -0.43 0.05 0.03 -0.04 3.15 2.76 2r59A1 PHE 265 HB3 -0.15 -0.05 -0.01 -0.04 3.06 2.81 2r59A1 PHE 265 HD2 -0.28 0.04 -0.17 -0.04 7.28 6.82 2r59A1 PHE 265 HE2 0.18 0.03 -0.32 -0.04 7.38 7.23 2r59A1 PHE 265 HZ 0.18 -0.03 -0.25 -0.04 7.32 7.19 2r59A1 PRO 266 HA -0.44 0.33 0.32 -0.51 4.44 4.14 2r59A1 PRO 266 HB2 -1.13 -0.04 0.05 -0.04 2.28 1.11 2r59A1 PRO 266 HB3 -0.60 0.01 0.16 -0.04 2.02 1.55 2r59A1 PRO 266 HG2 -0.67 0.00 0.05 -0.04 2.03 1.37 2r59A1 PRO 266 HG3 -1.13 0.03 0.07 -0.04 2.03 0.96 2r59A1 PRO 266 HD2 -0.79 0.05 0.14 -0.04 3.68 3.03 2r59A1 PRO 266 HD3 -0.33 0.22 0.19 -0.04 3.65 3.68 2r59A1 TYR 267 H -1.37 0.14 -0.35 -0.55 8.29 6.16 2r59A1 TYR 267 HA -0.27 0.13 0.90 -0.75 4.56 4.57 2r59A1 TYR 267 HB2 -0.36 0.04 -0.16 -0.04 3.06 2.53 2r59A1 TYR 267 HB3 -0.10 -0.02 0.05 -0.04 2.98 2.87 2r59A1 TYR 267 HD2 -0.31 -0.03 -0.04 -0.04 7.15 6.73 2r59A1 TYR 267 HE2 -0.44 0.05 -0.05 -0.04 6.85 6.37 2r59A1 GLY 268 H 0.04 0.13 0.14 -0.55 8.43 8.19 2r59A1 GLY 268 HA2 0.04 0.03 0.50 -0.51 4.01 4.07 2r59A1 GLY 268 HA3 0.02 -0.00 0.33 -0.51 4.01 3.84 2r59A1 GLY 269 H 0.19 0.18 0.02 -0.55 8.43 8.27 2r59A1 GLY 269 HA2 0.28 0.39 0.61 -0.51 4.01 4.78 2r59A1 GLY 269 HA3 0.19 -0.02 0.32 -0.51 4.01 3.99 2r59A1 MET 270 H 0.19 0.61 0.27 -0.55 8.47 8.99 2r59A1 MET 270 HA 0.07 0.10 0.63 -0.75 4.52 4.56 2r59A1 MET 270 HB2 0.25 0.05 -0.07 -0.04 2.15 2.34 2r59A1 MET 270 HB3 0.15 -0.01 0.10 -0.04 2.03 2.23 2r59A1 MET 270 HG2 -0.07 0.03 -0.04 -0.04 2.63 2.51 2r59A1 MET 270 HG3 -0.15 -0.03 -0.27 -0.04 2.56 2.07 2r59A1 MET 270 HE3 0.04 0.03 -0.13 -0.04 2.10 1.99 2r59A1 GLU 271 H -0.02 0.17 0.01 -0.55 8.60 8.22 2r59A1 GLU 271 HA 0.03 0.09 0.20 -0.75 4.29 3.86 2r59A1 GLU 271 HB2 0.04 0.12 0.02 -0.04 2.09 2.23 2r59A1 GLU 271 HB3 0.16 -0.06 0.03 -0.04 1.99 2.08 2r59A1 GLU 271 HG2 -0.14 0.03 -0.13 -0.04 2.34 2.06 2r59A1 GLU 271 HG3 -0.26 0.09 -0.05 -0.04 2.34 2.08 2r59A1 ASN 272 H -0.23 0.26 -0.33 -0.55 8.53 7.69 2r59A1 ASN 272 HA -0.26 0.10 0.32 -0.75 4.76 4.16 2r59A1 ASN 272 HB2 -0.45 0.31 0.05 -0.04 2.88 2.75 2r59A1 ASN 272 HB3 -0.35 0.05 -0.03 -0.04 2.79 2.42 2r59A1 ASN 272 HD21 -1.11 -0.05 -0.04 -0.04 7.03 5.79 2r59A1 ASN 272 HD22 -2.20 0.08 -0.00 -0.04 7.74 5.58 2r59A1 PRO 273 HA -0.54 -0.01 0.35 -0.51 4.44 3.73 2r59A1 PRO 273 HB2 -0.31 0.04 -0.01 -0.04 2.28 1.96 2r59A1 PRO 273 HB3 -1.46 0.03 0.10 -0.04 2.02 0.64 2r59A1 PRO 273 HG2 -0.18 0.11 0.11 -0.04 2.03 2.02 2r59A1 PRO 273 HG3 -0.47 0.06 0.09 -0.04 2.03 1.67 2r59A1 PRO 273 HD2 -0.23 0.25 0.29 -0.04 3.68 3.95 2r59A1 PRO 273 HD3 -0.34 0.15 0.22 -0.04 3.65 3.64 2r59A1 CYS 274 H -0.16 0.13 0.12 -0.55 8.50 8.04 2r59A1 CYS 274 HA 0.10 0.25 0.38 -0.75 4.58 4.55 2r59A1 CYS 274 HB2 -0.00 0.18 0.03 -0.04 2.97 3.13 2r59A1 CYS 274 HB3 0.07 -0.08 0.05 -0.04 2.97 2.97 2r59A1 LEU 275 H -0.14 0.47 -0.89 -0.55 8.37 7.26 2r59A1 LEU 275 HA -0.10 0.10 0.60 -0.75 4.35 4.20 2r59A1 LEU 275 HB2 -0.05 0.09 -0.34 -0.04 1.64 1.30 2r59A1 LEU 275 HB3 -0.03 -0.04 -0.15 -0.04 1.64 1.38 2r59A1 LEU 275 HG 0.13 -0.00 -0.35 -0.04 1.64 1.37 2r59A1 LEU 275 HD13 -0.06 -0.02 -0.32 -0.04 0.93 0.50 2r59A1 LEU 275 HD23 -0.07 -0.02 -0.29 -0.04 0.89 0.47 2r59A1 THR 276 H -0.34 0.32 0.07 -0.55 8.28 7.78 2r59A1 THR 276 HA -0.07 0.15 0.63 -0.75 4.39 4.35 2r59A1 THR 276 HB -0.23 0.01 0.10 -0.04 4.32 4.16 2r59A1 THR 276 HG23 0.06 -0.05 -0.25 -0.04 1.22 0.94 2r59A1 PHE 277 H 0.06 0.45 0.41 -0.55 8.34 8.71 2r59A1 PHE 277 HA -0.24 0.20 0.90 -0.75 4.62 4.72 2r59A1 PHE 277 HB2 -0.11 -0.11 0.17 -0.04 3.15 3.05 2r59A1 PHE 277 HB3 -0.84 -0.00 -0.07 -0.04 3.06 2.11 2r59A1 PHE 277 HD2 -0.15 0.03 -0.24 -0.04 7.28 6.88 2r59A1 PHE 277 HE2 -0.05 0.09 -0.11 -0.04 7.38 7.27 2r59A1 PHE 277 HZ -0.10 -0.10 -0.31 -0.04 7.32 6.77 2r59A1 VAL 278 H -0.22 0.70 0.39 -0.55 8.24 8.56 2r59A1 VAL 278 HA 0.08 0.25 1.08 -0.75 4.13 4.79 2r59A1 VAL 278 HB 0.02 0.02 0.09 -0.04 2.12 2.21 2r59A1 VAL 278 HG13 -0.12 -0.02 -0.26 -0.04 0.97 0.53 2r59A1 VAL 278 HG23 -0.17 0.00 -0.19 -0.04 0.95 0.55 2r59A1 THR 279 H 0.17 0.52 0.26 -0.55 8.28 8.68 2r59A1 THR 279 HA 0.15 0.20 0.53 -0.75 4.39 4.51 2r59A1 THR 279 HB 0.20 0.35 0.11 -0.04 4.32 4.93 2r59A1 THR 279 HG23 0.10 -0.01 0.09 -0.04 1.22 1.35 2r59A1 PRO 280 HA 0.12 0.08 0.66 -0.51 4.44 4.79 2r59A1 PRO 280 HB2 0.04 -0.01 0.07 -0.04 2.28 2.34 2r59A1 PRO 280 HB3 0.03 0.09 0.08 -0.04 2.02 2.19 2r59A1 PRO 280 HG2 0.04 -0.00 -0.04 -0.04 2.03 2.00 2r59A1 PRO 280 HG3 0.00 0.09 -0.09 -0.04 2.03 1.98 2r59A1 PRO 280 HD2 0.06 0.07 0.10 -0.04 3.68 3.87 2r59A1 PRO 280 HD3 -0.01 0.38 -0.01 -0.04 3.65 3.96 2r59A1 THR 281 H 0.11 0.15 -0.35 -0.55 8.28 7.63 2r59A1 THR 281 HA 0.10 0.18 0.49 -0.75 4.39 4.41 2r59A1 THR 281 HB 0.26 -0.06 0.10 -0.04 4.32 4.58 2r59A1 THR 281 HG23 0.16 0.04 0.01 -0.04 1.22 1.39 2r59A1 LEU 282 H 0.15 0.38 -0.64 -0.55 8.37 7.73 2r59A1 LEU 282 HA 0.15 0.02 0.57 -0.75 4.35 4.34 2r59A1 LEU 282 HB2 0.36 0.14 -0.04 -0.04 1.64 2.07 2r59A1 LEU 282 HB3 0.32 -0.12 0.03 -0.04 1.64 1.83 2r59A1 LEU 282 HG 0.17 0.20 0.08 -0.04 1.64 2.05 2r59A1 LEU 282 HD13 0.18 0.00 -0.04 -0.04 0.93 1.03 2r59A1 LEU 282 HD23 0.13 -0.02 -0.03 -0.04 0.89 0.93 2r59A1 LEU 283 H 0.09 0.55 -0.39 -0.55 8.37 8.07 2r59A1 LEU 283 HA -0.04 -0.01 0.41 -0.75 4.35 3.96 2r59A1 LEU 283 HB2 0.03 0.18 0.20 -0.04 1.64 2.01 2r59A1 LEU 283 HB3 -0.01 -0.04 0.10 -0.04 1.64 1.64 2r59A1 LEU 283 HG 0.10 -0.01 0.03 -0.04 1.64 1.72 2r59A1 LEU 283 HD13 0.04 0.01 0.03 -0.04 0.93 0.96 2r59A1 LEU 283 HD23 -0.13 -0.01 -0.19 -0.04 0.89 0.52 2r59A1 ALA 284 H 0.03 0.49 0.07 -0.55 8.40 8.44 2r59A1 ALA 284 HA 0.02 0.17 0.33 -0.75 4.34 4.11 2r59A1 ALA 284 HB3 0.03 -0.06 0.06 -0.04 1.41 1.39 2r59A1 GLY 285 H 0.02 0.06 -0.23 -0.55 8.43 7.74 2r59A1 GLY 285 HA2 0.04 0.07 0.29 -0.51 4.01 3.90 2r59A1 GLY 285 HA3 0.02 0.25 0.69 -0.51 4.01 4.45 2r59A1 ASP 286 H 0.06 -0.11 -0.21 -0.55 8.40 7.59 2r59A1 ASP 286 HA 0.18 0.34 0.94 -0.75 4.63 5.34 2r59A1 ASP 286 HB2 0.05 0.05 0.16 -0.04 2.71 2.92 2r59A1 ASP 286 HB3 0.05 0.13 -0.17 -0.04 2.70 2.67 2r59A1 LYS 287 H 0.04 0.02 0.06 -0.55 8.42 7.99 2r59A1 LYS 287 HA 0.01 0.06 0.40 -0.75 4.32 4.03 2r59A1 LYS 287 HB2 0.01 0.11 0.14 -0.04 1.87 2.09 2r59A1 LYS 287 HB3 0.01 0.04 0.24 -0.04 1.79 2.04 2r59A1 LYS 287 HG2 -0.27 0.08 -0.02 -0.04 1.46 1.20 2r59A1 LYS 287 HG3 -0.14 -0.08 -0.53 -0.04 1.46 0.68 2r59A1 LYS 287 HD2 -0.10 -0.03 -0.03 -0.04 1.69 1.50 2r59A1 LYS 287 HD3 -0.22 -0.03 0.01 -0.04 1.68 1.40 2r59A1 LYS 287 HE2 -1.20 0.00 -0.10 -0.04 2.99 1.65 2r59A1 LYS 287 HE3 -0.24 -0.01 -0.06 -0.04 2.99 2.64 2r59A1 SER 288 H 0.03 -0.00 -0.37 -0.55 8.46 7.58 2r59A1 SER 288 HA 0.08 0.17 0.32 -0.75 4.49 4.31 2r59A1 SER 288 HB2 -0.18 -0.03 0.06 -0.04 3.95 3.75 2r59A1 SER 288 HB3 -0.02 0.09 0.04 -0.04 3.93 3.99 2r59A1 LEU 289 H 0.08 0.08 -0.34 -0.55 8.37 7.64 2r59A1 LEU 289 HA 0.11 0.24 0.92 -0.75 4.35 4.86 2r59A1 LEU 289 HB2 0.13 0.11 0.15 -0.04 1.64 1.99 2r59A1 LEU 289 HB3 0.12 0.01 0.19 -0.04 1.64 1.92 2r59A1 LEU 289 HG 0.05 -0.12 -0.07 -0.04 1.64 1.45 2r59A1 LEU 289 HD13 0.10 -0.01 0.05 -0.04 0.93 1.03 2r59A1 LEU 289 HD23 0.02 0.04 -0.13 -0.04 0.89 0.78 2r59A1 SER 290 H 0.17 0.41 -0.33 -0.55 8.46 8.16 2r59A1 SER 290 HA 0.24 0.05 0.26 -0.75 4.49 4.28 2r59A1 SER 290 HB2 0.21 -0.04 0.10 -0.04 3.95 4.18 2r59A1 SER 290 HB3 0.18 0.17 0.17 -0.04 3.93 4.40 2r59A1 ASN 291 H 0.20 0.14 -0.49 -0.55 8.53 7.84 2r59A1 ASN 291 HA 0.19 0.08 0.32 -0.75 4.76 4.59 2r59A1 ASN 291 HB2 0.14 0.05 -0.00 -0.04 2.88 3.03 2r59A1 ASN 291 HB3 0.21 0.02 0.02 -0.04 2.79 3.00 2r59A1 ASN 291 HD21 0.05 0.01 -0.15 -0.04 7.03 6.89 2r59A1 ASN 291 HD22 0.08 0.02 -0.21 -0.04 7.74 7.58 2r59A1 VAL 292 H 0.15 0.37 -0.21 -0.55 8.24 8.00 2r59A1 VAL 292 HA 0.13 0.06 0.51 -0.75 4.13 4.08 2r59A1 VAL 292 HB 0.14 0.08 0.06 -0.04 2.12 2.35 2r59A1 VAL 292 HG13 0.11 0.02 -0.22 -0.04 0.97 0.83 2r59A1 VAL 292 HG23 0.07 -0.01 0.02 -0.04 0.95 1.00 2r59A1 ILE 293 H 0.16 0.22 -0.25 -0.55 8.25 7.83 2r59A1 ILE 293 HA 0.13 0.07 0.32 -0.75 4.18 3.94 2r59A1 ILE 293 HB 0.15 0.10 0.08 -0.04 1.89 2.18 2r59A1 ILE 293 HG12 0.14 -0.06 -0.01 -0.04 1.49 1.52 2r59A1 ILE 293 HG13 0.09 0.02 -0.04 -0.04 1.21 1.23 2r59A1 ILE 293 HG23 0.13 0.00 -0.10 -0.04 0.93 0.92 2r59A1 ILE 293 HD13 -0.28 0.01 -0.14 -0.04 0.88 0.43 2r59A1 ALA 294 H 0.16 0.43 -0.10 -0.55 8.40 8.34 2r59A1 ALA 294 HA 0.09 0.03 0.33 -0.75 4.34 4.04 2r59A1 ALA 294 HB3 0.13 0.03 0.09 -0.04 1.41 1.62 2r59A1 HIS 295 H 0.23 0.46 -0.37 -0.55 8.41 8.19 2r59A1 HIS 295 HA 0.05 0.05 0.44 -0.75 4.63 4.42 2r59A1 HIS 295 HB2 0.09 0.01 0.08 -0.04 3.26 3.39 2r59A1 HIS 295 HB3 0.12 0.11 0.14 -0.04 3.20 3.52 2r59A1 HIS 295 HD2 0.24 -0.00 -0.31 -0.04 6.97 6.85 2r59A1 HIS 295 HE1 0.20 0.02 -0.05 -0.04 7.75 7.87 2r59A1 GLU 296 H 0.26 0.60 -0.03 -0.55 8.60 8.87 2r59A1 GLU 296 HA 0.33 0.01 0.38 -0.75 4.29 4.27 2r59A1 GLU 296 HB2 0.24 0.03 0.03 -0.04 2.09 2.35 2r59A1 GLU 296 HB3 0.24 -0.01 -0.11 -0.04 1.99 2.07 2r59A1 GLU 296 HG2 0.24 0.27 0.01 -0.04 2.34 2.82 2r59A1 GLU 296 HG3 0.18 -0.01 -0.10 -0.04 2.34 2.37 2r59A1 ILE 297 H 0.14 0.71 -0.17 -0.55 8.25 8.38 2r59A1 ILE 297 HA -0.02 0.02 0.35 -0.75 4.18 3.77 2r59A1 ILE 297 HB 0.04 0.08 0.07 -0.04 1.89 2.04 2r59A1 ILE 297 HG12 -0.87 -0.01 -0.05 -0.04 1.49 0.51 2r59A1 ILE 297 HG13 -0.18 0.00 -0.04 -0.04 1.21 0.94 2r59A1 ILE 297 HG23 0.12 -0.01 -0.24 -0.04 0.93 0.76 2r59A1 ILE 297 HD13 -0.07 -0.05 -0.19 -0.04 0.88 0.53 2r59A1 SER 298 H 0.10 0.47 -0.27 -0.55 8.46 8.21 2r59A1 SER 298 HA 0.36 0.00 0.34 -0.75 4.49 4.44 2r59A1 SER 298 HB2 -0.09 0.13 0.21 -0.04 3.95 4.15 2r59A1 SER 298 HB3 0.06 -0.09 0.13 -0.04 3.93 3.98 2r59A1 HIS 299 H 0.11 0.40 -0.30 -0.55 8.41 8.07 2r59A1 HIS 299 HA 0.09 0.29 0.44 -0.75 4.63 4.70 2r59A1 HIS 299 HB2 0.07 0.20 0.10 -0.04 3.26 3.59 2r59A1 HIS 299 HB3 0.03 -0.05 -0.05 -0.04 3.20 3.08 2r59A1 HIS 299 HD2 0.21 -0.09 -0.10 -0.04 6.97 6.93 2r59A1 HIS 299 HE1 0.02 -0.05 -0.15 -0.04 7.75 7.53 2r59A1 SER 300 H 0.24 0.55 -0.49 -0.55 8.46 8.21 2r59A1 SER 300 HA -0.25 0.03 0.40 -0.75 4.49 3.92 2r59A1 SER 300 HB2 -0.48 0.09 0.02 -0.04 3.95 3.54 2r59A1 SER 300 HB3 -0.31 -0.13 0.08 -0.04 3.93 3.54 2r59A1 TRP 301 H 0.55 0.43 -0.33 -0.55 7.97 8.07 2r59A1 TRP 301 HA 0.11 0.19 0.93 -0.75 4.62 5.09 2r59A1 TRP 301 HB2 0.08 0.03 0.17 -0.04 3.23 3.47 2r59A1 TRP 301 HB3 0.03 -0.00 0.04 -0.04 3.23 3.25 2r59A1 TRP 301 HD1 -0.01 0.05 -0.07 -0.04 7.22 7.15 2r59A1 TRP 301 HE1 0.05 0.20 -0.62 -0.04 10.20 9.79 2r59A1 TRP 301 HE3 0.11 0.10 0.00 -0.04 7.59 7.76 2r59A1 TRP 301 HZ2 0.18 0.05 -0.27 -0.04 7.44 7.36 2r59A1 TRP 301 HZ3 0.07 -0.00 -0.17 -0.04 7.13 6.99 2r59A1 TRP 301 HH2 0.13 -0.06 -0.11 -0.04 7.19 7.10 2r59A1 THR 302 H 0.34 0.38 0.15 -0.55 8.28 8.61 2r59A1 THR 302 HA 0.13 0.09 0.60 -0.75 4.39 4.46 2r59A1 THR 302 HB 0.15 0.07 0.05 -0.04 4.32 4.55 2r59A1 THR 302 HG23 0.22 -0.01 -0.07 -0.04 1.22 1.32 2r59A1 GLY 303 H 0.08 0.61 0.23 -0.55 8.43 8.81 2r59A1 GLY 303 HA2 0.12 -0.17 0.45 -0.51 4.01 3.90 2r59A1 GLY 303 HA3 0.21 0.11 0.80 -0.51 4.01 4.61 2r59A1 ASN 304 H 0.10 0.50 -0.26 -0.55 8.53 8.32 2r59A1 ASN 304 HA -0.03 0.06 0.50 -0.75 4.76 4.54 2r59A1 ASN 304 HB2 -0.12 0.07 0.06 -0.04 2.88 2.86 2r59A1 ASN 304 HB3 -0.42 -0.03 0.05 -0.04 2.79 2.35 2r59A1 ASN 304 HD21 -0.30 0.41 -0.04 -0.04 7.03 7.06 2r59A1 ASN 304 HD22 -0.70 -0.13 -0.09 -0.04 7.74 6.78 2r59A1 LEU 305 H 0.09 0.21 -0.16 -0.55 8.37 7.97 2r59A1 LEU 305 HA -0.01 0.21 0.94 -0.75 4.35 4.74 2r59A1 LEU 305 HB2 -0.02 0.15 0.27 -0.04 1.64 2.01 2r59A1 LEU 305 HB3 -0.22 -0.06 0.05 -0.04 1.64 1.37 2r59A1 LEU 305 HG -0.07 0.09 0.05 -0.04 1.64 1.67 2r59A1 LEU 305 HD13 -0.29 -0.02 0.06 -0.04 0.93 0.65 2r59A1 LEU 305 HD23 -0.77 -0.01 0.07 -0.04 0.89 0.15 2r59A1 VAL 306 H -0.03 0.36 0.18 -0.55 8.24 8.20 2r59A1 VAL 306 HA -0.12 0.38 0.79 -0.75 4.13 4.43 2r59A1 VAL 306 HB -0.16 -0.14 0.09 -0.04 2.12 1.87 2r59A1 VAL 306 HG13 -0.39 -0.01 -0.19 -0.04 0.97 0.35 2r59A1 VAL 306 HG23 -0.28 0.02 -0.21 -0.04 0.95 0.44 2r59A1 THR 307 H -0.08 0.62 0.22 -0.55 8.28 8.49 2r59A1 THR 307 HA 0.00 0.11 0.86 -0.75 4.39 4.60 2r59A1 THR 307 HB -0.03 0.03 -0.02 -0.04 4.32 4.25 2r59A1 THR 307 HG23 0.07 0.01 0.00 -0.04 1.22 1.26 2r59A1 ASN 308 H -0.06 0.10 0.11 -0.55 8.53 8.13 2r59A1 ASN 308 HA -0.13 0.11 0.54 -0.75 4.76 4.52 2r59A1 ASN 308 HB2 -0.08 0.01 -0.10 -0.04 2.88 2.67 2r59A1 ASN 308 HB3 -0.07 0.02 -0.05 -0.04 2.79 2.65 2r59A1 ASN 308 HD21 -0.87 0.00 -0.04 -0.04 7.03 6.08 2r59A1 ASN 308 HD22 -0.41 0.06 0.05 -0.04 7.74 7.39 2r59A1 LYS 309 H -0.13 0.61 0.28 -0.55 8.42 8.62 2r59A1 LYS 309 HA -0.13 0.22 0.34 -0.75 4.32 3.99 2r59A1 LYS 309 HB2 -0.12 0.03 -0.32 -0.04 1.87 1.42 2r59A1 LYS 309 HB3 -0.08 -0.15 -0.10 -0.04 1.79 1.41 2r59A1 LYS 309 HG2 -0.06 -0.10 -0.17 -0.04 1.46 1.09 2r59A1 LYS 309 HG3 -0.07 0.11 -0.01 -0.04 1.46 1.46 2r59A1 LYS 309 HD2 -0.06 -0.13 -0.10 -0.04 1.69 1.35 2r59A1 LYS 309 HD3 -0.03 0.01 -0.04 -0.04 1.68 1.57 2r59A1 LYS 309 HE2 -0.04 0.06 0.04 -0.04 2.99 3.01 2r59A1 LYS 309 HE3 -0.07 0.18 -0.00 -0.04 2.99 3.05 2r59A1 THR 310 H -0.01 0.12 0.02 -0.55 8.28 7.87 2r59A1 THR 310 HA -0.35 0.24 0.51 -0.75 4.39 4.03 2r59A1 THR 310 HB -0.01 -0.09 0.21 -0.04 4.32 4.39 2r59A1 THR 310 HG23 0.02 0.08 -0.30 -0.04 1.22 0.98 2r59A1 TRP 311 H -0.14 0.19 0.13 -0.55 7.97 7.61 2r59A1 TRP 311 HA 0.02 0.14 0.43 -0.75 4.62 4.46 2r59A1 TRP 311 HB2 -0.05 -0.00 0.09 -0.04 3.23 3.22 2r59A1 TRP 311 HB3 -0.13 0.08 0.10 -0.04 3.23 3.23 2r59A1 TRP 311 HD1 -0.05 -0.02 0.05 -0.04 7.22 7.16 2r59A1 TRP 311 HE1 -0.07 0.13 -0.05 -0.04 10.20 10.17 2r59A1 TRP 311 HE3 -0.14 -0.05 0.06 -0.04 7.59 7.42 2r59A1 TRP 311 HZ2 -0.35 0.12 0.03 -0.04 7.44 7.21 2r59A1 TRP 311 HZ3 -0.07 0.02 0.00 -0.04 7.13 7.04 2r59A1 TRP 311 HH2 -1.65 0.05 -0.00 -0.04 7.19 5.55 2r59A1 ASP 312 H 0.08 0.02 -0.32 -0.55 8.40 7.63 2r59A1 ASP 312 HA 0.07 0.15 0.52 -0.75 4.63 4.62 2r59A1 ASP 312 HB2 -0.18 -0.11 0.07 -0.04 2.71 2.45 2r59A1 ASP 312 HB3 -0.21 0.17 0.14 -0.04 2.70 2.75 2r59A1 HIS 313 H 0.11 0.37 -0.37 -0.55 8.41 7.98 2r59A1 HIS 313 HA 0.29 0.21 0.73 -0.75 4.63 5.11 2r59A1 HIS 313 HB2 -0.02 0.09 0.22 -0.04 3.26 3.50 2r59A1 HIS 313 HB3 -0.03 -0.03 0.23 -0.04 3.20 3.33 2r59A1 HIS 313 HD2 0.03 -0.04 0.03 -0.04 6.97 6.94 2r59A1 HIS 313 HE1 0.22 0.09 0.03 -0.04 7.75 8.05 2r59A1 PHE 314 H 0.38 0.44 -0.44 -0.55 8.34 8.17 2r59A1 PHE 314 HA 0.12 -0.01 0.36 -0.75 4.62 4.34 2r59A1 PHE 314 HB2 0.36 0.10 0.20 -0.04 3.15 3.77 2r59A1 PHE 314 HB3 0.20 0.11 0.10 -0.04 3.06 3.42 2r59A1 PHE 314 HD2 0.27 0.03 0.03 -0.04 7.28 7.57 2r59A1 PHE 314 HE2 0.18 0.03 -0.01 -0.04 7.38 7.54 2r59A1 PHE 314 HZ 0.29 0.01 -0.04 -0.04 7.32 7.54 2r59A1 TRP 315 H 0.40 0.27 -0.26 -0.55 7.97 7.83 2r59A1 TRP 315 HA -0.26 -0.02 0.33 -0.75 4.62 3.91 2r59A1 TRP 315 HB2 -0.07 0.06 0.16 -0.04 3.23 3.33 2r59A1 TRP 315 HB3 -0.00 0.25 0.15 -0.04 3.23 3.58 2r59A1 TRP 315 HD1 0.05 0.08 -0.03 -0.04 7.22 7.28 2r59A1 TRP 315 HE1 0.05 -0.10 -0.02 -0.04 10.20 10.09 2r59A1 TRP 315 HE3 -0.21 -0.08 -0.06 -0.04 7.59 7.19 2r59A1 TRP 315 HZ2 -0.48 -0.05 -0.04 -0.04 7.44 6.83 2r59A1 TRP 315 HZ3 -0.61 0.03 -0.07 -0.04 7.13 6.45 2r59A1 TRP 315 HH2 -2.40 0.01 -0.08 -0.04 7.19 4.68 2r59A1 LEU 316 H -0.94 0.43 -0.21 -0.55 8.37 7.10 2r59A1 LEU 316 HA -1.22 0.02 0.42 -0.75 4.35 2.82 2r59A1 LEU 316 HB2 -0.39 0.06 0.04 -0.04 1.64 1.31 2r59A1 LEU 316 HB3 -0.37 0.04 -0.13 -0.04 1.64 1.14 2r59A1 LEU 316 HG -1.01 -0.04 0.00 -0.04 1.64 0.55 2r59A1 LEU 316 HD13 -0.19 -0.02 -0.33 -0.04 0.93 0.35 2r59A1 LEU 316 HD23 -1.01 -0.00 -0.06 -0.04 0.89 -0.22 2r59A1 ASN 317 H -0.21 0.20 -0.15 -0.55 8.53 7.82 2r59A1 ASN 317 HA 0.01 0.11 0.39 -0.75 4.76 4.51 2r59A1 ASN 317 HB2 -0.13 0.11 0.17 -0.04 2.88 2.99 2r59A1 ASN 317 HB3 0.08 0.01 -0.07 -0.04 2.79 2.78 2r59A1 ASN 317 HD21 0.22 0.08 0.09 -0.04 7.03 7.38 2r59A1 ASN 317 HD22 0.24 -0.01 0.03 -0.04 7.74 7.96 2r59A1 GLU 318 H -0.41 0.32 -0.09 -0.55 8.60 7.87 2r59A1 GLU 318 HA -0.15 0.12 0.53 -0.75 4.29 4.04 2r59A1 GLU 318 HB2 -0.79 0.01 -0.14 -0.04 2.09 1.13 2r59A1 GLU 318 HB3 -1.30 -0.06 -0.06 -0.04 1.99 0.53 2r59A1 GLU 318 HG2 -1.22 0.05 -0.05 -0.04 2.34 1.09 2r59A1 GLU 318 HG3 -1.38 -0.01 -0.07 -0.04 2.34 0.84 2r59A1 GLY 319 H -0.07 0.69 0.13 -0.55 8.43 8.64 2r59A1 GLY 319 HA2 0.18 0.09 0.46 -0.51 4.01 4.22 2r59A1 GLY 319 HA3 0.17 0.06 0.26 -0.51 4.01 3.99 2r59A1 HIS 320 H 0.02 0.37 -0.21 -0.55 8.41 8.04 2r59A1 HIS 320 HA 0.19 0.02 0.45 -0.75 4.63 4.54 2r59A1 HIS 320 HB2 0.02 0.25 0.07 -0.04 3.26 3.56 2r59A1 HIS 320 HB3 0.13 -0.02 -0.00 -0.04 3.20 3.27 2r59A1 HIS 320 HD2 0.04 -0.01 -0.01 -0.04 6.97 6.94 2r59A1 HIS 320 HE1 -1.41 -0.07 -0.04 -0.04 7.75 6.18 2r59A1 THR 321 H 0.05 0.31 -0.39 -0.55 8.28 7.70 2r59A1 THR 321 HA -0.02 0.02 0.49 -0.75 4.39 4.14 2r59A1 THR 321 HB -0.32 0.02 0.18 -0.04 4.32 4.16 2r59A1 THR 321 HG23 -1.23 -0.07 -0.06 -0.04 1.22 -0.18 2r59A1 VAL 322 H 0.13 0.67 -0.07 -0.55 8.24 8.42 2r59A1 VAL 322 HA 0.20 -0.04 0.48 -0.75 4.13 4.01 2r59A1 VAL 322 HB 0.29 0.17 0.19 -0.04 2.12 2.73 2r59A1 VAL 322 HG13 -0.08 -0.03 -0.09 -0.04 0.97 0.72 2r59A1 VAL 322 HG23 0.35 0.01 0.03 -0.04 0.95 1.30 2r59A1 TYR 323 H 0.39 0.47 -0.29 -0.55 8.29 8.31 2r59A1 TYR 323 HA 0.49 -0.03 0.33 -0.75 4.56 4.60 2r59A1 TYR 323 HB2 0.26 0.06 0.11 -0.04 3.06 3.45 2r59A1 TYR 323 HB3 0.25 0.13 0.20 -0.04 2.98 3.51 2r59A1 TYR 323 HD2 0.08 0.04 -0.14 -0.04 7.15 7.10 2r59A1 TYR 323 HE2 0.29 -0.00 -0.14 -0.04 6.85 6.95 2r59A1 LEU 324 H 0.31 0.64 -0.04 -0.55 8.37 8.73 2r59A1 LEU 324 HA 0.18 0.00 0.51 -0.75 4.35 4.29 2r59A1 LEU 324 HB2 0.11 0.11 0.21 -0.04 1.64 2.03 2r59A1 LEU 324 HB3 0.06 -0.04 0.00 -0.04 1.64 1.62 2r59A1 LEU 324 HG 0.28 0.06 0.07 -0.04 1.64 2.01 2r59A1 LEU 324 HD13 0.10 0.01 0.00 -0.04 0.93 1.00 2r59A1 LEU 324 HD23 0.06 -0.01 -0.03 -0.04 0.89 0.87 2r59A1 GLU 325 H 0.07 0.79 -0.07 -0.55 8.60 8.84 2r59A1 GLU 325 HA 0.07 -0.01 0.31 -0.75 4.29 3.91 2r59A1 GLU 325 HB2 0.08 0.08 0.05 -0.04 2.09 2.25 2r59A1 GLU 325 HB3 0.10 0.13 0.20 -0.04 1.99 2.39 2r59A1 GLU 325 HG2 0.10 -0.10 -0.29 -0.04 2.34 2.00 2r59A1 GLU 325 HG3 0.17 -0.01 -0.08 -0.04 2.34 2.38 2r59A1 ARG 326 H -0.00 0.76 -0.19 -0.55 8.46 8.47 2r59A1 ARG 326 HA -0.03 -0.07 0.43 -0.75 4.34 3.91 2r59A1 ARG 326 HB2 -0.16 0.16 0.09 -0.04 1.90 1.95 2r59A1 ARG 326 HB3 -0.21 -0.10 0.05 -0.04 1.80 1.50 2r59A1 ARG 326 HG2 -0.18 -0.12 -0.03 -0.04 1.67 1.30 2r59A1 ARG 326 HG3 -0.16 0.15 0.02 -0.04 1.67 1.64 2r59A1 ARG 326 HD2 -1.15 0.05 -0.11 -0.04 3.22 1.97 2r59A1 ARG 326 HD3 -0.58 -0.05 -0.14 -0.04 3.22 2.42 2r59A1 HIS 327 H -0.06 0.54 -0.17 -0.55 8.41 8.17 2r59A1 HIS 327 HA -0.00 -0.05 0.64 -0.75 4.63 4.46 2r59A1 HIS 327 HB2 -0.06 0.19 0.20 -0.04 3.26 3.56 2r59A1 HIS 327 HB3 -0.02 -0.02 -0.02 -0.04 3.20 3.10 2r59A1 HIS 327 HD2 -0.44 0.07 -0.10 -0.04 6.97 6.45 2r59A1 HIS 327 HE1 0.11 -0.10 -0.01 -0.04 7.75 7.71 2r59A1 ILE 328 H 0.08 0.61 -0.06 -0.55 8.25 8.33 2r59A1 ILE 328 HA 0.03 0.04 0.49 -0.75 4.18 3.99 2r59A1 ILE 328 HB 0.07 0.12 0.19 -0.04 1.89 2.22 2r59A1 ILE 328 HG12 -0.01 -0.05 -0.04 -0.04 1.49 1.35 2r59A1 ILE 328 HG13 0.02 0.13 0.01 -0.04 1.21 1.33 2r59A1 ILE 328 HG23 0.04 -0.03 -0.07 -0.04 0.93 0.83 2r59A1 ILE 328 HD13 0.02 -0.01 -0.03 -0.04 0.88 0.83 2r59A1 CYS 329 H 0.12 0.57 -0.10 -0.55 8.50 8.54 2r59A1 CYS 329 HA 0.28 0.00 0.38 -0.75 4.58 4.49 2r59A1 CYS 329 HB2 0.16 0.15 0.11 -0.04 2.97 3.35 2r59A1 CYS 329 HB3 0.48 -0.06 -0.07 -0.04 2.97 3.27 2r59A1 GLY 330 H 0.13 0.49 -0.33 -0.55 8.43 8.17 2r59A1 GLY 330 HA2 0.23 0.06 0.30 -0.51 4.01 4.09 2r59A1 GLY 330 HA3 0.14 0.06 0.24 -0.51 4.01 3.94 2r59A1 ARG 331 H 0.08 0.59 -0.20 -0.55 8.46 8.37 2r59A1 ARG 331 HA 0.03 -0.01 0.42 -0.75 4.34 4.02 2r59A1 ARG 331 HB2 -0.01 0.13 0.21 -0.04 1.90 2.19 2r59A1 ARG 331 HB3 -0.02 -0.04 0.04 -0.04 1.80 1.74 2r59A1 ARG 331 HG2 0.08 -0.02 0.04 -0.04 1.67 1.73 2r59A1 ARG 331 HG3 0.01 0.01 -0.01 -0.04 1.67 1.65 2r59A1 ARG 331 HD2 0.02 -0.06 0.01 -0.04 3.22 3.16 2r59A1 ARG 331 HD3 0.01 -0.01 -0.02 -0.04 3.22 3.16 2r59A1 LEU 332 H -0.11 0.48 -0.14 -0.55 8.37 8.06 2r59A1 LEU 332 HA -0.29 0.08 0.43 -0.75 4.35 3.82 2r59A1 LEU 332 HB2 -0.67 0.02 0.11 -0.04 1.64 1.07 2r59A1 LEU 332 HB3 -1.34 -0.06 -0.03 -0.04 1.64 0.17 2r59A1 LEU 332 HG -0.17 0.06 0.00 -0.04 1.64 1.49 2r59A1 LEU 332 HD13 -0.11 -0.03 -0.09 -0.04 0.93 0.65 2r59A1 LEU 332 HD23 -0.20 -0.01 -0.03 -0.04 0.89 0.61 2r59A1 PHE 333 H -0.02 0.51 -0.07 -0.55 8.34 8.21 2r59A1 PHE 333 HA -0.09 0.20 0.96 -0.75 4.62 4.93 2r59A1 PHE 333 HB2 -0.17 0.05 0.04 -0.04 3.15 3.03 2r59A1 PHE 333 HB3 -0.53 -0.11 0.15 -0.04 3.06 2.53 2r59A1 PHE 333 HD2 -0.07 0.04 0.02 -0.04 7.28 7.23 2r59A1 PHE 333 HE2 -0.02 -0.02 -0.04 -0.04 7.38 7.26 2r59A1 PHE 333 HZ -0.02 -0.01 -0.03 -0.04 7.32 7.22 2r59A1 GLY 334 H 0.11 0.49 -0.04 -0.55 8.43 8.45 2r59A1 GLY 334 HA2 0.09 0.11 0.39 -0.51 4.01 4.09 2r59A1 GLY 334 HA3 0.11 0.08 0.72 -0.51 4.01 4.41 2r59A1 GLU 335 H 0.10 0.21 0.20 -0.55 8.60 8.57 2r59A1 GLU 335 HA 0.18 0.10 0.44 -0.75 4.29 4.26 2r59A1 GLU 335 HB2 0.12 0.10 0.14 -0.04 2.09 2.41 2r59A1 GLU 335 HB3 0.09 -0.00 0.14 -0.04 1.99 2.17 2r59A1 GLU 335 HG2 0.10 0.05 0.02 -0.04 2.34 2.47 2r59A1 GLU 335 HG3 0.11 -0.07 -0.09 -0.04 2.34 2.25 2r59A1 LYS 336 H 0.12 0.15 -0.11 -0.55 8.42 8.01 2r59A1 LYS 336 HA 0.11 0.06 0.51 -0.75 4.32 4.24 2r59A1 LYS 336 HB2 0.10 0.08 0.08 -0.04 1.87 2.09 2r59A1 LYS 336 HB3 0.11 -0.06 0.01 -0.04 1.79 1.80 2r59A1 LYS 336 HG2 0.03 -0.02 0.05 -0.04 1.46 1.47 2r59A1 LYS 336 HG3 0.04 0.01 0.06 -0.04 1.46 1.53 2r59A1 LYS 336 HD2 0.04 0.08 0.03 -0.04 1.69 1.79 2r59A1 LYS 336 HD3 0.05 -0.05 0.00 -0.04 1.68 1.64 2r59A1 LYS 336 HE2 0.03 0.06 0.02 -0.04 2.99 3.05 2r59A1 LYS 336 HE3 0.02 -0.08 0.03 -0.04 2.99 2.92 2r59A1 PHE 337 H 0.28 0.24 -0.37 -0.55 8.34 7.94 2r59A1 PHE 337 HA 0.06 -0.01 0.49 -0.75 4.62 4.41 2r59A1 PHE 337 HB2 0.02 0.07 -0.02 -0.04 3.15 3.19 2r59A1 PHE 337 HB3 0.11 0.22 -0.16 -0.04 3.06 3.19 2r59A1 PHE 337 HD2 -0.07 0.03 -0.13 -0.04 7.28 7.06 2r59A1 PHE 337 HE2 -0.36 -0.05 -0.04 -0.04 7.38 6.89 2r59A1 PHE 337 HZ -0.98 -0.02 -0.01 -0.04 7.32 6.27 2r59A1 ARG 338 H 0.21 0.33 -0.16 -0.55 8.46 8.29 2r59A1 ARG 338 HA -0.08 0.06 0.49 -0.75 4.34 4.06 2r59A1 ARG 338 HB2 0.08 0.01 0.11 -0.04 1.90 2.07 2r59A1 ARG 338 HB3 0.15 0.06 0.13 -0.04 1.80 2.10 2r59A1 ARG 338 HG2 -0.15 -0.03 -0.21 -0.04 1.67 1.24 2r59A1 ARG 338 HG3 -0.15 0.01 -0.06 -0.04 1.67 1.43 2r59A1 ARG 338 HD2 -0.57 0.02 -0.23 -0.04 3.22 2.39 2r59A1 ARG 338 HD3 -0.08 -0.00 -0.06 -0.04 3.22 3.04 2r59A1 HIS 339 H 0.33 0.47 -0.11 -0.55 8.41 8.56 2r59A1 HIS 339 HA 0.12 0.07 0.56 -0.75 4.63 4.63 2r59A1 HIS 339 HB2 0.16 0.05 0.21 -0.04 3.26 3.65 2r59A1 HIS 339 HB3 0.21 0.10 0.11 -0.04 3.20 3.57 2r59A1 HIS 339 HD2 0.17 0.09 0.07 -0.04 6.97 7.25 2r59A1 HIS 339 HE1 0.11 0.17 0.05 -0.04 7.75 8.03 2r59A1 PHE 340 H 0.25 0.46 -0.20 -0.55 8.34 8.30 2r59A1 PHE 340 HA 0.01 0.01 0.42 -0.75 4.62 4.31 2r59A1 PHE 340 HB2 0.04 -0.08 0.07 -0.04 3.15 3.14 2r59A1 PHE 340 HB3 -0.20 0.20 0.18 -0.04 3.06 3.20 2r59A1 PHE 340 HD2 -0.20 -0.02 -0.23 -0.04 7.28 6.79 2r59A1 PHE 340 HE2 0.08 0.03 -0.12 -0.04 7.38 7.32 2r59A1 PHE 340 HZ 0.10 0.12 -0.22 -0.04 7.32 7.28 2r59A1 ASN 341 H -0.14 0.50 -0.21 -0.55 8.53 8.14 2r59A1 ASN 341 HA -0.29 -0.00 0.36 -0.75 4.76 4.07 2r59A1 ASN 341 HB2 -0.27 0.13 0.17 -0.04 2.88 2.87 2r59A1 ASN 341 HB3 -0.23 -0.02 0.02 -0.04 2.79 2.52 2r59A1 ASN 341 HD21 -1.50 -0.09 -0.05 -0.04 7.03 5.35 2r59A1 ASN 341 HD22 -0.59 0.03 -0.07 -0.04 7.74 7.08 2r59A1 ALA 342 H -0.17 0.46 -0.24 -0.55 8.40 7.91 2r59A1 ALA 342 HA -0.43 0.03 0.26 -0.75 4.34 3.45 2r59A1 ALA 342 HB3 -0.13 0.02 0.07 -0.04 1.41 1.33 2r59A1 LEU 343 H -0.09 0.63 -0.17 -0.55 8.37 8.20 2r59A1 LEU 343 HA -0.76 0.03 0.40 -0.75 4.35 3.27 2r59A1 LEU 343 HB2 -0.11 0.05 0.08 -0.04 1.64 1.62 2r59A1 LEU 343 HB3 -0.19 0.04 0.14 -0.04 1.64 1.59 2r59A1 LEU 343 HG -0.19 -0.02 -0.16 -0.04 1.64 1.23 2r59A1 LEU 343 HD13 -0.48 -0.01 0.01 -0.04 0.93 0.41 2r59A1 LEU 343 HD23 -0.01 -0.01 -0.07 -0.04 0.89 0.76 2r59A1 GLY 344 H -0.34 0.64 -0.10 -0.55 8.43 8.09 2r59A1 GLY 344 HA2 -0.20 -0.00 0.42 -0.51 4.01 3.72 2r59A1 GLY 344 HA3 -0.28 0.05 0.27 -0.51 4.01 3.53 2r59A1 GLY 345 H -0.16 0.48 -0.35 -0.55 8.43 7.86 2r59A1 GLY 345 HA2 -0.08 -0.04 0.37 -0.51 4.01 3.75 2r59A1 GLY 345 HA3 -0.10 0.08 0.28 -0.51 4.01 3.76 2r59A1 TRP 346 H 0.11 0.45 -0.18 -0.55 7.97 7.81 2r59A1 TRP 346 HA 0.02 0.06 0.59 -0.75 4.62 4.54 2r59A1 TRP 346 HB2 -0.11 0.02 0.12 -0.04 3.23 3.22 2r59A1 TRP 346 HB3 -0.27 0.15 0.15 -0.04 3.23 3.22 2r59A1 TRP 346 HD1 -0.08 0.00 -0.25 -0.04 7.22 6.85 2r59A1 TRP 346 HE1 -0.01 0.01 -0.06 -0.04 10.20 10.10 2r59A1 TRP 346 HE3 0.28 -0.01 0.04 -0.04 7.59 7.85 2r59A1 TRP 346 HZ2 -0.02 0.02 -0.05 -0.04 7.44 7.35 2r59A1 TRP 346 HZ3 0.19 0.03 0.06 -0.04 7.13 7.38 2r59A1 TRP 346 HH2 -0.06 0.10 -0.13 -0.04 7.19 7.06 2r59A1 GLY 347 H 0.06 0.42 -0.11 -0.55 8.43 8.26 2r59A1 GLY 347 HA2 0.01 0.03 0.44 -0.51 4.01 3.98 2r59A1 GLY 347 HA3 -0.02 0.07 0.28 -0.51 4.01 3.83 2r59A1 GLU 348 H -0.08 0.48 -0.15 -0.55 8.60 8.31 2r59A1 GLU 348 HA -0.09 0.06 0.60 -0.75 4.29 4.11 2r59A1 GLU 348 HB2 -0.07 -0.00 0.08 -0.04 2.09 2.05 2r59A1 GLU 348 HB3 -0.08 0.09 0.13 -0.04 1.99 2.09 2r59A1 GLU 348 HG2 -0.10 -0.04 -0.01 -0.04 2.34 2.15 2r59A1 GLU 348 HG3 -0.09 -0.02 -0.19 -0.04 2.34 1.99 2r59A1 LEU 349 H -0.18 0.48 -0.26 -0.55 8.37 7.86 2r59A1 LEU 349 HA -0.15 -0.04 0.43 -0.75 4.35 3.83 2r59A1 LEU 349 HB2 -0.20 -0.04 0.06 -0.04 1.64 1.42 2r59A1 LEU 349 HB3 -0.63 0.19 0.18 -0.04 1.64 1.33 2r59A1 LEU 349 HG -0.47 0.00 -0.19 -0.04 1.64 0.94 2r59A1 LEU 349 HD13 -0.11 -0.03 0.00 -0.04 0.93 0.76 2r59A1 LEU 349 HD23 -0.58 0.02 -0.08 -0.04 0.89 0.21 2r59A1 GLN 350 H -0.34 0.52 -0.10 -0.55 8.47 8.00 2r59A1 GLN 350 HA -0.22 0.02 0.50 -0.75 4.36 3.90 2r59A1 GLN 350 HB2 -0.11 0.14 0.16 -0.04 2.15 2.31 2r59A1 GLN 350 HB3 -0.08 -0.01 -0.01 -0.04 2.02 1.88 2r59A1 GLN 350 HG2 -0.14 -0.03 0.02 -0.04 2.40 2.20 2r59A1 GLN 350 HG3 -0.49 0.18 0.03 -0.04 2.39 2.07 2r59A1 GLN 350 HE21 0.23 -0.03 -0.04 -0.04 6.97 7.10 2r59A1 GLN 350 HE22 0.30 -0.00 -0.03 -0.04 7.69 7.92 2r59A1 ASN 351 H -0.12 0.52 -0.15 -0.55 8.53 8.22 2r59A1 ASN 351 HA -0.09 0.06 0.45 -0.75 4.76 4.42 2r59A1 ASN 351 HB2 -0.10 0.06 0.17 -0.04 2.88 2.97 2r59A1 ASN 351 HB3 -0.09 -0.02 0.02 -0.04 2.79 2.65 2r59A1 ASN 351 HD21 -0.06 -0.02 -0.06 -0.04 7.03 6.85 2r59A1 ASN 351 HD22 -0.06 -0.07 -0.01 -0.04 7.74 7.57 2r59A1 SER 352 H -0.13 0.47 -0.22 -0.55 8.46 8.04 2r59A1 SER 352 HA -0.23 0.06 0.36 -0.75 4.49 3.92 2r59A1 SER 352 HB2 -0.07 0.06 0.09 -0.04 3.95 3.99 2r59A1 SER 352 HB3 -0.08 -0.03 0.00 -0.04 3.93 3.79 2r59A1 VAL 353 H -0.09 0.57 -0.12 -0.55 8.24 8.04 2r59A1 VAL 353 HA 0.07 0.05 0.44 -0.75 4.13 3.93 2r59A1 VAL 353 HB -0.11 0.10 0.09 -0.04 2.12 2.16 2r59A1 VAL 353 HG13 -0.04 -0.04 -0.16 -0.04 0.97 0.69 2r59A1 VAL 353 HG23 -0.08 0.02 -0.11 -0.04 0.95 0.74 2r59A1 LYS 354 H -0.08 0.61 -0.23 -0.55 8.42 8.16 2r59A1 LYS 354 HA -0.03 -0.06 0.41 -0.75 4.32 3.88 2r59A1 LYS 354 HB2 -0.06 0.07 0.14 -0.04 1.87 1.98 2r59A1 LYS 354 HB3 -0.07 0.09 0.17 -0.04 1.79 1.93 2r59A1 LYS 354 HG2 -0.04 0.01 -0.06 -0.04 1.46 1.32 2r59A1 LYS 354 HG3 -0.03 -0.08 0.05 -0.04 1.46 1.36 2r59A1 LYS 354 HD2 -0.04 -0.03 -0.00 -0.04 1.69 1.57 2r59A1 LYS 354 HD3 -0.05 0.04 -0.00 -0.04 1.68 1.62 2r59A1 LYS 354 HE2 -0.03 0.00 -0.00 -0.04 2.99 2.91 2r59A1 LYS 354 HE3 -0.03 -0.07 0.01 -0.04 2.99 2.86 2r59A1 THR 355 H -0.12 0.53 -0.10 -0.55 8.28 8.04 2r59A1 THR 355 HA -0.10 0.04 0.37 -0.75 4.39 3.95 2r59A1 THR 355 HB -0.36 0.04 0.10 -0.04 4.32 4.05 2r59A1 THR 355 HG23 -0.22 -0.02 -0.05 -0.04 1.22 0.88 2r59A1 PHE 356 H -0.06 0.44 -0.15 -0.55 8.34 8.01 2r59A1 PHE 356 HA -0.19 0.09 0.73 -0.75 4.62 4.50 2r59A1 PHE 356 HB2 -0.08 0.07 0.09 -0.04 3.15 3.18 2r59A1 PHE 356 HB3 -0.24 -0.12 -0.02 -0.04 3.06 2.64 2r59A1 PHE 356 HD2 -0.20 0.01 -0.07 -0.04 7.28 6.98 2r59A1 PHE 356 HE2 0.03 -0.04 -0.06 -0.04 7.38 7.27 2r59A1 PHE 356 HZ 0.07 0.13 -0.10 -0.04 7.32 7.38 2r59A1 GLY 357 H 0.06 0.44 -0.25 -0.55 8.43 8.14 2r59A1 GLY 357 HA2 0.03 0.05 0.42 -0.51 4.01 4.00 2r59A1 GLY 357 HA3 0.06 0.09 0.75 -0.51 4.01 4.41 2r59A1 GLU 358 H 0.02 0.15 0.14 -0.55 8.60 8.35 2r59A1 GLU 358 HA 0.01 0.09 0.13 -0.75 4.29 3.77 2r59A1 GLU 358 HB2 -0.02 0.00 0.14 -0.04 2.09 2.17 2r59A1 GLU 358 HB3 -0.01 0.02 0.09 -0.04 1.99 2.06 2r59A1 GLU 358 HG2 -0.00 -0.03 0.07 -0.04 2.34 2.34 2r59A1 GLU 358 HG3 -0.01 0.04 -0.19 -0.04 2.34 2.15 2r59A1 THR 359 H 0.03 0.05 -0.41 -0.55 8.28 7.41 2r59A1 THR 359 HA -0.01 0.25 0.87 -0.75 4.39 4.75 2r59A1 THR 359 HB -0.02 0.00 0.09 -0.04 4.32 4.34 2r59A1 THR 359 HG23 -0.01 -0.01 -0.13 -0.04 1.22 1.03 2r59A1 HIS 360 H 0.10 0.39 -0.08 -0.55 8.41 8.28 2r59A1 HIS 360 HA -0.13 0.07 0.46 -0.75 4.63 4.27 2r59A1 HIS 360 HB2 -0.05 0.26 0.03 -0.04 3.26 3.47 2r59A1 HIS 360 HB3 -0.10 -0.06 -0.00 -0.04 3.20 2.99 2r59A1 HIS 360 HD2 -0.13 0.10 0.10 -0.04 6.97 7.00 2r59A1 HIS 360 HE1 -2.38 0.00 0.01 -0.04 7.75 5.33 2r59A1 PRO 361 HA -0.04 0.16 0.40 -0.51 4.44 4.45 2r59A1 PRO 361 HB2 -0.14 0.01 0.03 -0.04 2.28 2.14 2r59A1 PRO 361 HB3 -0.06 0.02 0.14 -0.04 2.02 2.08 2r59A1 PRO 361 HG2 -0.36 0.02 0.11 -0.04 2.03 1.75 2r59A1 PRO 361 HG3 -0.22 0.08 0.13 -0.04 2.03 1.98 2r59A1 PRO 361 HD2 -1.56 0.07 0.20 -0.04 3.68 2.35 2r59A1 PRO 361 HD3 -0.64 0.15 0.27 -0.04 3.65 3.39 2r59A1 PHE 362 H 0.28 0.12 -0.28 -0.55 8.34 7.91 2r59A1 PHE 362 HA -0.07 0.10 0.51 -0.75 4.62 4.41 2r59A1 PHE 362 HB2 -1.06 0.02 -0.05 -0.04 3.15 2.02 2r59A1 PHE 362 HB3 -0.48 0.08 0.08 -0.04 3.06 2.70 2r59A1 PHE 362 HD2 -0.38 0.04 -0.14 -0.04 7.28 6.76 2r59A1 PHE 362 HE2 -0.01 0.03 -0.10 -0.04 7.38 7.26 2r59A1 PHE 362 HZ -0.00 -0.04 -0.07 -0.04 7.32 7.17 2r59A1 THR 363 H 0.08 0.41 -0.48 -0.55 8.28 7.74 2r59A1 THR 363 HA 0.10 0.08 0.69 -0.75 4.39 4.50 2r59A1 THR 363 HB 0.04 -0.00 0.07 -0.04 4.32 4.39 2r59A1 THR 363 HG23 0.18 -0.01 -0.12 -0.04 1.22 1.23 2r59A1 LYS 364 H 0.07 0.20 -0.46 -0.55 8.42 7.68 2r59A1 LYS 364 HA 0.01 0.28 0.25 -0.75 4.32 4.11 2r59A1 LYS 364 HB2 0.08 0.08 -0.04 -0.04 1.87 1.95 2r59A1 LYS 364 HB3 0.07 0.09 -0.17 -0.04 1.79 1.75 2r59A1 LYS 364 HG2 0.05 0.01 -0.58 -0.04 1.46 0.89 2r59A1 LYS 364 HG3 0.04 -0.10 -0.09 -0.04 1.46 1.26 2r59A1 LYS 364 HD2 0.08 -0.11 0.09 -0.04 1.69 1.70 2r59A1 LYS 364 HD3 0.11 0.13 0.09 -0.04 1.68 1.97 2r59A1 LYS 364 HE2 0.04 0.10 0.11 -0.04 2.99 3.20 2r59A1 LYS 364 HE3 0.01 -0.07 0.02 -0.04 2.99 2.90 2r59A1 LEU 365 H -0.07 0.27 -0.08 -0.55 8.37 7.94 2r59A1 LEU 365 HA -0.08 -0.02 0.32 -0.75 4.35 3.82 2r59A1 LEU 365 HB2 -0.23 0.29 0.16 -0.04 1.64 1.82 2r59A1 LEU 365 HB3 -0.42 -0.03 0.25 -0.04 1.64 1.39 2r59A1 LEU 365 HG -1.62 -0.15 -0.13 -0.04 1.64 -0.31 2r59A1 LEU 365 HD13 -0.16 -0.02 -0.11 -0.04 0.93 0.59 2r59A1 LEU 365 HD23 -1.05 -0.00 -0.10 -0.04 0.89 -0.30 2r59A1 VAL 366 H -0.11 0.68 0.21 -0.55 8.24 8.48 2r59A1 VAL 366 HA 0.17 0.12 0.90 -0.75 4.13 4.57 2r59A1 VAL 366 HB 0.24 0.09 0.16 -0.04 2.12 2.57 2r59A1 VAL 366 HG13 0.16 -0.02 -0.06 -0.04 0.97 1.00 2r59A1 VAL 366 HG23 0.12 -0.04 0.05 -0.04 0.95 1.04 2r59A1 VAL 367 H 0.10 0.26 0.25 -0.55 8.24 8.30 2r59A1 VAL 367 HA 0.11 0.28 0.73 -0.75 4.13 4.49 2r59A1 VAL 367 HB 0.10 -0.02 -0.02 -0.04 2.12 2.13 2r59A1 VAL 367 HG13 0.10 0.06 -0.21 -0.04 0.97 0.88 2r59A1 VAL 367 HG23 0.07 -0.04 -0.08 -0.04 0.95 0.86 2r59A1 ASP 368 H 0.10 0.31 0.10 -0.55 8.40 8.36 2r59A1 ASP 368 HA 0.06 0.07 1.00 -0.75 4.63 5.01 2r59A1 ASP 368 HB2 0.05 0.05 0.03 -0.04 2.71 2.80 2r59A1 ASP 368 HB3 0.06 0.08 0.18 -0.04 2.70 2.98 2r59A1 LEU 369 H 0.07 0.08 0.03 -0.55 8.37 8.01 2r59A1 LEU 369 HA 0.06 0.27 0.47 -0.75 4.35 4.39 2r59A1 LEU 369 HB2 0.10 -0.15 -0.01 -0.04 1.64 1.53 2r59A1 LEU 369 HB3 0.05 0.11 0.11 -0.04 1.64 1.87 2r59A1 LEU 369 HG 0.04 -0.02 -0.30 -0.04 1.64 1.32 2r59A1 LEU 369 HD13 0.07 -0.04 -0.18 -0.04 0.93 0.74 2r59A1 LEU 369 HD23 -0.11 0.05 -0.18 -0.04 0.89 0.62 2r59A1 THR 370 H 0.07 0.04 -0.33 -0.55 8.28 7.51 2r59A1 THR 370 HA 0.09 0.05 0.53 -0.75 4.39 4.31 2r59A1 THR 370 HB 0.06 0.07 0.01 -0.04 4.32 4.41 2r59A1 THR 370 HG23 0.05 0.02 0.02 -0.04 1.22 1.27 2r59A1 ASP 371 H 0.13 0.15 0.15 -0.55 8.40 8.29 2r59A1 ASP 371 HA 0.25 -0.00 0.26 -0.75 4.63 4.39 2r59A1 ASP 371 HB2 0.09 0.13 0.03 -0.04 2.71 2.92 2r59A1 ASP 371 HB3 0.12 -0.02 0.17 -0.04 2.70 2.92 2r59A1 ILE 372 H 0.12 0.46 -0.56 -0.55 8.25 7.72 2r59A1 ILE 372 HA -0.02 0.14 0.82 -0.75 4.18 4.36 2r59A1 ILE 372 HB 0.01 -0.09 -0.02 -0.04 1.89 1.75 2r59A1 ILE 372 HG12 0.10 0.18 -0.33 -0.04 1.49 1.41 2r59A1 ILE 372 HG13 0.22 0.02 -0.06 -0.04 1.21 1.35 2r59A1 ILE 372 HG23 -0.07 -0.00 -0.23 -0.04 0.93 0.59 2r59A1 ILE 372 HD13 0.17 0.03 -0.04 -0.04 0.88 0.99 2r59A1 ASP 373 H -0.48 0.18 0.05 -0.55 8.40 7.60 2r59A1 ASP 373 HA -1.11 0.15 0.60 -0.75 4.63 3.52 2r59A1 ASP 373 HB2 -0.72 0.07 0.16 -0.04 2.71 2.18 2r59A1 ASP 373 HB3 -0.31 -0.04 0.19 -0.04 2.70 2.50 2r59A1 PRO 374 HA -0.27 0.11 0.30 -0.51 4.44 4.06 2r59A1 PRO 374 HB2 -0.50 -0.04 0.06 -0.04 2.28 1.76 2r59A1 PRO 374 HB3 -0.53 0.03 0.09 -0.04 2.02 1.57 2r59A1 PRO 374 HG2 -0.42 -0.01 0.10 -0.04 2.03 1.67 2r59A1 PRO 374 HG3 -0.20 0.06 0.11 -0.04 2.03 1.96 2r59A1 PRO 374 HD2 -0.26 0.06 0.23 -0.04 3.68 3.67 2r59A1 PRO 374 HD3 -0.18 0.28 0.34 -0.04 3.65 4.05 2r59A1 ASP 375 H -0.23 0.06 -0.37 -0.55 8.40 7.32 2r59A1 ASP 375 HA -0.12 0.07 0.37 -0.75 4.63 4.19 2r59A1 ASP 375 HB2 -0.07 -0.04 0.07 -0.04 2.71 2.62 2r59A1 ASP 375 HB3 -0.03 0.09 -0.00 -0.04 2.70 2.71 2r59A1 VAL 376 H -0.13 0.07 -0.17 -0.55 8.24 7.45 2r59A1 VAL 376 HA 0.02 0.11 0.50 -0.75 4.13 4.01 2r59A1 VAL 376 HB -0.08 0.06 0.13 -0.04 2.12 2.19 2r59A1 VAL 376 HG13 0.14 0.01 -0.07 -0.04 0.97 1.01 2r59A1 VAL 376 HG23 -0.03 -0.03 0.04 -0.04 0.95 0.89 2r59A1 ALA 377 H -0.23 0.21 -0.30 -0.55 8.40 7.54 2r59A1 ALA 377 HA -0.78 0.12 0.27 -0.75 4.34 3.19 2r59A1 ALA 377 HB3 -0.82 -0.02 -0.02 -0.04 1.41 0.50 2r59A1 TYR 378 H 0.00 0.20 -0.40 -0.55 8.29 7.55 2r59A1 TYR 378 HA -0.02 -0.10 0.35 -0.75 4.56 4.03 2r59A1 TYR 378 HB2 -0.13 0.02 0.12 -0.04 3.06 3.02 2r59A1 TYR 378 HB3 -0.02 0.17 0.10 -0.04 2.98 3.19 2r59A1 TYR 378 HD2 0.00 0.02 -0.06 -0.04 7.15 7.07 2r59A1 TYR 378 HE2 0.33 -0.05 -0.06 -0.04 6.85 7.02 2r59A1 SER 379 H -0.16 0.18 0.28 -0.55 8.46 8.21 2r59A1 SER 379 HA -0.20 0.14 0.56 -0.75 4.49 4.23 2r59A1 SER 379 HB2 0.09 -0.05 0.15 -0.04 3.95 4.09 2r59A1 SER 379 HB3 0.34 0.30 -0.27 -0.04 3.93 4.26 2r59A1 SER 380 H -0.11 0.25 0.13 -0.55 8.46 8.19 2r59A1 SER 380 HA -0.12 0.04 0.46 -0.75 4.49 4.10 2r59A1 SER 380 HB2 -0.07 0.10 -0.01 -0.04 3.95 3.94 2r59A1 SER 380 HB3 -0.06 -0.05 0.02 -0.04 3.93 3.80 2r59A1 VAL 381 H 0.11 0.15 -0.44 -0.55 8.24 7.52 2r59A1 VAL 381 HA 0.07 -0.02 0.34 -0.75 4.13 3.77 2r59A1 VAL 381 HB 0.15 0.15 0.07 -0.04 2.12 2.45 2r59A1 VAL 381 HG13 0.07 0.00 -0.27 -0.04 0.97 0.72 2r59A1 VAL 381 HG23 0.16 -0.01 -0.04 -0.04 0.95 1.01 2r59A1 PRO 382 HA 0.17 0.12 0.51 -0.51 4.44 4.73 2r59A1 PRO 382 HB2 -0.12 -0.07 -0.12 -0.04 2.28 1.92 2r59A1 PRO 382 HB3 0.26 0.08 0.08 -0.04 2.02 2.40 2r59A1 PRO 382 HG2 0.31 0.03 0.05 -0.04 2.03 2.37 2r59A1 PRO 382 HG3 0.47 0.05 0.04 -0.04 2.03 2.56 2r59A1 PRO 382 HD2 0.20 0.11 -0.04 -0.04 3.68 3.91 2r59A1 PRO 382 HD3 0.18 0.31 0.08 -0.04 3.65 4.18 2r59A1 TYR 383 H 0.39 0.21 -0.38 -0.55 8.29 7.97 2r59A1 TYR 383 HA 0.10 0.01 0.32 -0.75 4.56 4.24 2r59A1 TYR 383 HB2 0.02 0.15 0.15 -0.04 3.06 3.33 2r59A1 TYR 383 HB3 0.05 -0.03 -0.03 -0.04 2.98 2.92 2r59A1 TYR 383 HD2 0.05 0.05 0.01 -0.04 7.15 7.23 2r59A1 TYR 383 HE2 0.10 0.03 -0.03 -0.04 6.85 6.91 2r59A1 GLU 384 H 0.19 0.67 0.06 -0.55 8.60 8.98 2r59A1 GLU 384 HA 0.23 0.04 0.42 -0.75 4.29 4.23 2r59A1 GLU 384 HB2 0.02 0.06 0.07 -0.04 2.09 2.20 2r59A1 GLU 384 HB3 0.06 0.08 0.01 -0.04 1.99 2.09 2r59A1 GLU 384 HG2 0.05 -0.02 0.01 -0.04 2.34 2.34 2r59A1 GLU 384 HG3 -0.03 0.03 0.03 -0.04 2.34 2.32 2r59A1 LYS 385 H 0.10 0.57 0.16 -0.55 8.42 8.70 2r59A1 LYS 385 HA 0.16 0.07 0.67 -0.75 4.32 4.46 2r59A1 LYS 385 HB2 0.01 0.00 0.12 -0.04 1.87 1.96 2r59A1 LYS 385 HB3 0.03 0.04 -0.01 -0.04 1.79 1.81 2r59A1 LYS 385 HG2 0.16 -0.11 0.03 -0.04 1.46 1.50 2r59A1 LYS 385 HG3 0.01 -0.05 0.09 -0.04 1.46 1.46 2r59A1 LYS 385 HD2 -0.04 -0.03 -0.13 -0.04 1.69 1.45 2r59A1 LYS 385 HD3 -0.03 0.11 0.03 -0.04 1.68 1.74 2r59A1 LYS 385 HE2 -0.16 -0.17 -0.07 -0.04 2.99 2.55 2r59A1 LYS 385 HE3 -0.08 -0.11 -0.01 -0.04 2.99 2.76 2r59A1 GLY 386 H 0.16 0.28 -0.34 -0.55 8.43 7.99 2r59A1 GLY 386 HA2 -0.00 0.03 0.47 -0.51 4.01 4.00 2r59A1 GLY 386 HA3 0.35 0.15 0.33 -0.51 4.01 4.32 2r59A1 PHE 387 H 0.34 0.59 -0.06 -0.55 8.34 8.66 2r59A1 PHE 387 HA 0.18 0.04 0.46 -0.75 4.62 4.54 2r59A1 PHE 387 HB2 0.15 0.03 0.14 -0.04 3.15 3.44 2r59A1 PHE 387 HB3 0.15 0.05 0.16 -0.04 3.06 3.38 2r59A1 PHE 387 HD2 0.19 0.05 -0.20 -0.04 7.28 7.29 2r59A1 PHE 387 HE2 -0.23 0.01 -0.07 -0.04 7.38 7.06 2r59A1 PHE 387 HZ -0.88 -0.03 -0.06 -0.04 7.32 6.32 2r59A1 ALA 388 H 0.39 0.66 -0.29 -0.55 8.40 8.61 2r59A1 ALA 388 HA 0.34 -0.07 0.38 -0.75 4.34 4.23 2r59A1 ALA 388 HB3 0.65 0.04 0.16 -0.04 1.41 2.22 2r59A1 LEU 389 H 0.08 0.53 -0.24 -0.55 8.37 8.20 2r59A1 LEU 389 HA -1.11 0.02 0.43 -0.75 4.35 2.93 2r59A1 LEU 389 HB2 -0.48 0.08 0.10 -0.04 1.64 1.30 2r59A1 LEU 389 HB3 -0.25 0.11 0.13 -0.04 1.64 1.60 2r59A1 LEU 389 HG -0.09 -0.03 -0.29 -0.04 1.64 1.18 2r59A1 LEU 389 HD13 -1.07 -0.03 -0.02 -0.04 0.93 -0.22 2r59A1 LEU 389 HD23 -0.25 -0.00 -0.09 -0.04 0.89 0.51 2r59A1 LEU 390 H -0.11 0.56 -0.11 -0.55 8.37 8.16 2r59A1 LEU 390 HA -0.21 -0.00 0.57 -0.75 4.35 3.95 2r59A1 LEU 390 HB2 -0.18 0.12 0.12 -0.04 1.64 1.66 2r59A1 LEU 390 HB3 -0.40 -0.07 -0.00 -0.04 1.64 1.12 2r59A1 LEU 390 HG -0.01 0.26 0.02 -0.04 1.64 1.87 2r59A1 LEU 390 HD13 -0.32 0.00 -0.23 -0.04 0.93 0.33 2r59A1 LEU 390 HD23 0.28 -0.02 -0.07 -0.04 0.89 1.04 2r59A1 PHE 391 H -0.27 0.73 -0.11 -0.55 8.34 8.14 2r59A1 PHE 391 HA -0.25 -0.04 0.40 -0.75 4.62 3.97 2r59A1 PHE 391 HB2 -1.09 0.06 0.05 -0.04 3.15 2.13 2r59A1 PHE 391 HB3 -0.26 0.09 0.11 -0.04 3.06 2.96 2r59A1 PHE 391 HD2 -0.13 0.02 -0.05 -0.04 7.28 7.08 2r59A1 PHE 391 HE2 -0.47 -0.02 -0.10 -0.04 7.38 6.75 2r59A1 PHE 391 HZ -0.96 -0.07 0.02 -0.04 7.32 6.27 2r59A1 TYR 392 H -0.04 0.89 0.02 -0.55 8.29 8.62 2r59A1 TYR 392 HA -0.33 -0.06 0.48 -0.75 4.56 3.90 2r59A1 TYR 392 HB2 -0.04 0.02 0.07 -0.04 3.06 3.07 2r59A1 TYR 392 HB3 -0.49 0.15 0.21 -0.04 2.98 2.80 2r59A1 TYR 392 HD2 -0.59 -0.00 -0.04 -0.04 7.15 6.48 2r59A1 TYR 392 HE2 -0.27 -0.03 -0.08 -0.04 6.85 6.43 2r59A1 LEU 393 H -0.47 0.64 -0.17 -0.55 8.37 7.82 2r59A1 LEU 393 HA -0.71 0.00 0.44 -0.75 4.35 3.33 2r59A1 LEU 393 HB2 -0.64 0.09 0.14 -0.04 1.64 1.19 2r59A1 LEU 393 HB3 -0.44 -0.05 -0.03 -0.04 1.64 1.08 2r59A1 LEU 393 HG -0.42 0.16 0.08 -0.04 1.64 1.41 2r59A1 LEU 393 HD13 0.30 -0.03 -0.10 -0.04 0.93 1.06 2r59A1 LEU 393 HD23 -0.32 -0.02 -0.04 -0.04 0.89 0.48 2r59A1 GLU 394 H -0.85 0.76 -0.09 -0.55 8.60 7.88 2r59A1 GLU 394 HA -0.46 -0.00 0.40 -0.75 4.29 3.48 2r59A1 GLU 394 HB2 -0.29 0.04 0.07 -0.04 2.09 1.87 2r59A1 GLU 394 HB3 -0.29 0.25 0.17 -0.04 1.99 2.08 2r59A1 GLU 394 HG2 -0.06 -0.04 -0.50 -0.04 2.34 1.70 2r59A1 GLU 394 HG3 0.16 -0.04 -0.44 -0.04 2.34 1.98 2r59A1 GLN 395 H -0.44 0.58 -0.22 -0.55 8.47 7.84 2r59A1 GLN 395 HA -0.22 -0.05 0.47 -0.75 4.36 3.81 2r59A1 GLN 395 HB2 -0.36 0.17 0.16 -0.04 2.15 2.09 2r59A1 GLN 395 HB3 -0.26 -0.06 0.04 -0.04 2.02 1.71 2r59A1 GLN 395 HG2 -0.35 -0.09 0.03 -0.04 2.40 1.95 2r59A1 GLN 395 HG3 -0.67 0.15 0.07 -0.04 2.39 1.90 2r59A1 GLN 395 HE21 -0.74 0.36 0.15 -0.04 6.97 6.69 2r59A1 GLN 395 HE22 -0.96 -0.08 0.04 -0.04 7.69 6.64 2r59A1 LEU 396 H -0.46 0.50 -0.12 -0.55 8.37 7.74 2r59A1 LEU 396 HA -0.27 0.02 0.51 -0.75 4.35 3.85 2r59A1 LEU 396 HB2 -0.71 0.18 0.15 -0.04 1.64 1.21 2r59A1 LEU 396 HB3 -0.49 0.05 0.05 -0.04 1.64 1.22 2r59A1 LEU 396 HG -0.33 -0.03 -0.07 -0.04 1.64 1.17 2r59A1 LEU 396 HD13 -0.25 -0.01 -0.01 -0.04 0.93 0.61 2r59A1 LEU 396 HD23 -0.84 -0.00 -0.11 -0.04 0.89 -0.10 2r59A1 LEU 397 H -0.33 0.53 -0.18 -0.55 8.37 7.84 2r59A1 LEU 397 HA -0.24 0.10 0.44 -0.75 4.35 3.89 2r59A1 LEU 397 HB2 -0.34 0.05 0.02 -0.04 1.64 1.33 2r59A1 LEU 397 HB3 -0.62 -0.07 0.08 -0.04 1.64 0.99 2r59A1 LEU 397 HG -0.49 0.05 -0.00 -0.04 1.64 1.15 2r59A1 LEU 397 HD13 -0.96 -0.02 -0.08 -0.04 0.93 -0.17 2r59A1 LEU 397 HD23 -0.49 -0.01 -0.09 -0.04 0.89 0.27 2r59A1 GLY 398 H -0.12 0.23 -0.26 -0.55 8.43 7.73 2r59A1 GLY 398 HA2 -0.03 0.00 0.21 -0.51 4.01 3.68 2r59A1 GLY 398 HA3 0.01 0.16 0.80 -0.51 4.01 4.47 2r59A1 GLY 399 H -0.02 0.65 0.17 -0.55 8.43 8.68 2r59A1 GLY 399 HA2 0.03 0.04 0.22 -0.51 4.01 3.79 2r59A1 GLY 399 HA3 0.06 0.17 0.74 -0.51 4.01 4.47 2r59A1 PRO 400 HA 0.39 0.09 0.44 -0.51 4.44 4.84 2r59A1 PRO 400 HB2 0.27 0.07 -0.02 -0.04 2.28 2.56 2r59A1 PRO 400 HB3 0.43 0.05 0.09 -0.04 2.02 2.55 2r59A1 PRO 400 HG2 0.16 0.02 0.12 -0.04 2.03 2.29 2r59A1 PRO 400 HG3 0.22 0.04 0.09 -0.04 2.03 2.33 2r59A1 PRO 400 HD2 0.11 0.16 0.25 -0.04 3.68 4.16 2r59A1 PRO 400 HD3 0.14 0.15 0.14 -0.04 3.65 4.04 2r59A1 GLU 401 H 0.13 0.15 -0.10 -0.55 8.60 8.23 2r59A1 GLU 401 HA 0.08 0.12 0.38 -0.75 4.29 4.11 2r59A1 GLU 401 HB2 0.08 -0.00 0.09 -0.04 2.09 2.22 2r59A1 GLU 401 HB3 0.07 0.07 -0.03 -0.04 1.99 2.05 2r59A1 GLU 401 HG2 0.04 0.06 0.01 -0.04 2.34 2.41 2r59A1 GLU 401 HG3 0.07 -0.07 0.00 -0.04 2.34 2.30 2r59A1 ILE 402 H 0.15 0.13 -0.23 -0.55 8.25 7.74 2r59A1 ILE 402 HA 0.19 0.07 0.52 -0.75 4.18 4.20 2r59A1 ILE 402 HB 0.18 0.07 -0.16 -0.04 1.89 1.94 2r59A1 ILE 402 HG12 0.14 -0.00 0.03 -0.04 1.49 1.62 2r59A1 ILE 402 HG13 0.11 -0.13 -0.01 -0.04 1.21 1.15 2r59A1 ILE 402 HG23 0.37 0.05 -0.14 -0.04 0.93 1.18 2r59A1 ILE 402 HD13 0.08 0.09 0.06 -0.04 0.88 1.07 2r59A1 PHE 403 H 0.37 0.42 -0.22 -0.55 8.34 8.35 2r59A1 PHE 403 HA 0.39 0.07 0.32 -0.75 4.62 4.64 2r59A1 PHE 403 HB2 0.12 0.09 0.07 -0.04 3.15 3.39 2r59A1 PHE 403 HB3 0.29 0.01 0.03 -0.04 3.06 3.34 2r59A1 PHE 403 HD2 -0.11 0.03 -0.13 -0.04 7.28 7.02 2r59A1 PHE 403 HE2 -0.39 -0.00 -0.07 -0.04 7.38 6.88 2r59A1 PHE 403 HZ 0.13 -0.01 -0.03 -0.04 7.32 7.36 2r59A1 LEU 404 H 0.26 0.58 -0.12 -0.55 8.37 8.54 2r59A1 LEU 404 HA 0.13 0.00 0.57 -0.75 4.35 4.29 2r59A1 LEU 404 HB2 0.04 0.11 0.18 -0.04 1.64 1.93 2r59A1 LEU 404 HB3 -0.02 0.04 0.06 -0.04 1.64 1.67 2r59A1 LEU 404 HG 0.06 -0.04 0.04 -0.04 1.64 1.66 2r59A1 LEU 404 HD13 -0.53 -0.02 -0.05 -0.04 0.93 0.29 2r59A1 LEU 404 HD23 -0.02 -0.00 0.02 -0.04 0.89 0.85 2r59A1 GLY 405 H 0.10 0.38 -0.35 -0.55 8.43 8.02 2r59A1 GLY 405 HA2 0.00 0.07 0.55 -0.51 4.01 4.12 2r59A1 GLY 405 HA3 0.09 0.06 0.32 -0.51 4.01 3.98 2r59A1 PHE 406 H -0.04 0.31 -0.18 -0.55 8.34 7.87 2r59A1 PHE 406 HA -1.68 0.03 0.47 -0.75 4.62 2.69 2r59A1 PHE 406 HB2 -0.65 -0.00 0.07 -0.04 3.15 2.53 2r59A1 PHE 406 HB3 -0.62 0.24 0.20 -0.04 3.06 2.83 2r59A1 PHE 406 HD2 -1.05 0.03 -0.04 -0.04 7.28 6.18 2r59A1 PHE 406 HE2 0.01 -0.01 -0.16 -0.04 7.38 7.18 2r59A1 PHE 406 HZ -0.37 -0.01 -0.07 -0.04 7.32 6.82 2r59A1 LEU 407 H -0.25 0.49 -0.07 -0.55 8.37 8.00 2r59A1 LEU 407 HA -0.46 -0.02 0.46 -0.75 4.35 3.57 2r59A1 LEU 407 HB2 -0.03 0.03 0.13 -0.04 1.64 1.72 2r59A1 LEU 407 HB3 -0.01 0.17 0.10 -0.04 1.64 1.86 2r59A1 LEU 407 HG 0.09 -0.07 0.06 -0.04 1.64 1.68 2r59A1 LEU 407 HD13 0.37 -0.01 -0.02 -0.04 0.93 1.22 2r59A1 LEU 407 HD23 0.06 0.01 -0.16 -0.04 0.89 0.77 2r59A1 LYS 408 H -0.13 0.51 -0.14 -0.55 8.42 8.11 2r59A1 LYS 408 HA -0.08 0.11 0.58 -0.75 4.32 4.17 2r59A1 LYS 408 HB2 -0.07 0.21 0.18 -0.04 1.87 2.15 2r59A1 LYS 408 HB3 -0.06 -0.03 0.13 -0.04 1.79 1.80 2r59A1 LYS 408 HG2 -0.04 -0.09 -0.16 -0.04 1.46 1.14 2r59A1 LYS 408 HG3 -0.06 0.06 -0.20 -0.04 1.46 1.21 2r59A1 LYS 408 HD2 -0.03 -0.04 -0.03 -0.04 1.69 1.55 2r59A1 LYS 408 HD3 -0.02 -0.09 -0.08 -0.04 1.68 1.45 2r59A1 LYS 408 HE2 -0.05 -0.10 -0.25 -0.04 2.99 2.56 2r59A1 LYS 408 HE3 -0.09 0.17 -0.35 -0.04 2.99 2.69 2r59A1 ALA 409 H -0.17 0.46 -0.17 -0.55 8.40 7.97 2r59A1 ALA 409 HA -0.05 0.02 0.48 -0.75 4.34 4.04 2r59A1 ALA 409 HB3 0.06 0.01 0.11 -0.04 1.41 1.55 2r59A1 TYR 410 H -0.22 0.56 -0.21 -0.55 8.29 7.87 2r59A1 TYR 410 HA -0.57 -0.02 0.42 -0.75 4.56 3.63 2r59A1 TYR 410 HB2 -0.67 -0.03 0.04 -0.04 3.06 2.36 2r59A1 TYR 410 HB3 -0.51 0.14 0.20 -0.04 2.98 2.77 2r59A1 TYR 410 HD2 0.06 0.05 -0.04 -0.04 7.15 7.18 2r59A1 TYR 410 HE2 -0.17 -0.05 -0.09 -0.04 6.85 6.50 2r59A1 VAL 411 H -0.09 0.56 -0.10 -0.55 8.24 8.07 2r59A1 VAL 411 HA -0.29 -0.05 0.35 -0.75 4.13 3.40 2r59A1 VAL 411 HB -0.02 0.20 0.23 -0.04 2.12 2.48 2r59A1 VAL 411 HG13 0.18 -0.00 -0.06 -0.04 0.97 1.05 2r59A1 VAL 411 HG23 0.09 -0.01 0.00 -0.04 0.95 0.99 2r59A1 GLU 412 H -0.14 0.55 -0.14 -0.55 8.60 8.33 2r59A1 GLU 412 HA -0.12 0.02 0.42 -0.75 4.29 3.86 2r59A1 GLU 412 HB2 -0.13 0.06 0.13 -0.04 2.09 2.11 2r59A1 GLU 412 HB3 -0.09 -0.08 0.03 -0.04 1.99 1.80 2r59A1 GLU 412 HG2 -0.04 -0.04 0.05 -0.04 2.34 2.28 2r59A1 GLU 412 HG3 -0.06 0.42 0.10 -0.04 2.34 2.76 2r59A1 LYS 413 H -0.43 0.52 -0.20 -0.55 8.42 7.76 2r59A1 LYS 413 HA -0.44 -0.04 0.30 -0.75 4.32 3.39 2r59A1 LYS 413 HB2 -0.90 -0.03 0.12 -0.04 1.87 1.02 2r59A1 LYS 413 HB3 -1.25 0.11 0.19 -0.04 1.79 0.80 2r59A1 LYS 413 HG2 -1.99 -0.09 -0.04 -0.04 1.46 -0.70 2r59A1 LYS 413 HG3 -2.08 0.02 -0.29 -0.04 1.46 -0.93 2r59A1 LYS 413 HD2 -0.49 0.03 0.06 -0.04 1.69 1.24 2r59A1 LYS 413 HD3 -0.48 -0.02 0.01 -0.04 1.68 1.16 2r59A1 LYS 413 HE2 -0.18 -0.05 -0.02 -0.04 2.99 2.71 2r59A1 LYS 413 HE3 -0.52 -0.01 -0.04 -0.04 2.99 2.38 2r59A1 PHE 414 H -0.40 0.46 -0.24 -0.55 8.34 7.61 2r59A1 PHE 414 HA -0.21 0.20 0.84 -0.75 4.62 4.70 2r59A1 PHE 414 HB2 -0.57 0.10 0.01 -0.04 3.15 2.65 2r59A1 PHE 414 HB3 -0.29 -0.11 0.06 -0.04 3.06 2.68 2r59A1 PHE 414 HD2 -0.40 0.09 -0.07 -0.04 7.28 6.86 2r59A1 PHE 414 HE2 0.01 -0.03 -0.07 -0.04 7.38 7.25 2r59A1 PHE 414 HZ 0.05 -0.01 -0.06 -0.04 7.32 7.26 2r59A1 SER 415 H -0.19 0.34 -0.27 -0.55 8.46 7.79 2r59A1 SER 415 HA -0.30 -0.05 0.20 -0.75 4.49 3.59 2r59A1 SER 415 HB2 -0.26 0.03 0.12 -0.04 3.95 3.80 2r59A1 SER 415 HB3 -1.03 -0.06 0.02 -0.04 3.93 2.81 2r59A1 TYR 416 H -0.40 0.26 0.30 -0.55 8.29 7.91 2r59A1 TYR 416 HA -0.04 0.10 0.42 -0.75 4.56 4.28 2r59A1 TYR 416 HB2 -0.07 0.07 0.19 -0.04 3.06 3.21 2r59A1 TYR 416 HB3 -0.07 -0.05 0.21 -0.04 2.98 3.03 2r59A1 TYR 416 HD2 -0.14 0.14 -0.06 -0.04 7.15 7.05 2r59A1 TYR 416 HE2 -0.29 -0.03 -0.01 -0.04 6.85 6.48 2r59A1 LYS 417 H -0.03 0.47 0.02 -0.55 8.42 8.33 2r59A1 LYS 417 HA 0.02 0.11 0.86 -0.75 4.32 4.55 2r59A1 LYS 417 HB2 0.06 0.11 -0.02 -0.04 1.87 1.98 2r59A1 LYS 417 HB3 0.03 -0.13 0.05 -0.04 1.79 1.70 2r59A1 LYS 417 HG2 0.04 -0.04 -0.10 -0.04 1.46 1.32 2r59A1 LYS 417 HG3 0.05 0.25 -0.38 -0.04 1.46 1.34 2r59A1 LYS 417 HD2 0.12 0.11 0.00 -0.04 1.69 1.88 2r59A1 LYS 417 HD3 0.14 -0.13 -0.02 -0.04 1.68 1.64 2r59A1 LYS 417 HE2 0.03 -0.08 0.01 -0.04 2.99 2.90 2r59A1 LYS 417 HE3 0.03 -0.07 -0.00 -0.04 2.99 2.91 2r59A1 SER 418 H -0.03 0.19 0.19 -0.55 8.46 8.25 2r59A1 SER 418 HA -0.10 0.35 0.87 -0.75 4.49 4.86 2r59A1 SER 418 HB2 -0.06 -0.10 0.12 -0.04 3.95 3.86 2r59A1 SER 418 HB3 -0.10 -0.03 -0.22 -0.04 3.93 3.54 2r59A1 ILE 419 H -0.17 0.61 0.29 -0.55 8.25 8.43 2r59A1 ILE 419 HA -0.19 0.19 0.95 -0.75 4.18 4.37 2r59A1 ILE 419 HB -0.48 -0.13 0.06 -0.04 1.89 1.30 2r59A1 ILE 419 HG12 -0.31 0.13 -0.16 -0.04 1.49 1.10 2r59A1 ILE 419 HG13 -0.24 -0.13 -0.27 -0.04 1.21 0.53 2r59A1 ILE 419 HG23 -0.60 0.05 -0.34 -0.04 0.93 0.00 2r59A1 ILE 419 HD13 -0.43 0.00 -0.17 -0.04 0.88 0.24 2r59A1 THR 420 H -0.19 0.14 0.20 -0.55 8.28 7.88 2r59A1 THR 420 HA -0.51 0.21 1.05 -0.75 4.39 4.40 2r59A1 THR 420 HB -0.63 -0.04 0.18 -0.04 4.32 3.79 2r59A1 THR 420 HG23 -0.18 0.05 -0.05 -0.04 1.22 1.00 2r59A1 THR 421 H -0.44 0.20 0.17 -0.55 8.28 7.67 2r59A1 THR 421 HA 0.29 0.13 0.45 -0.75 4.39 4.51 2r59A1 THR 421 HB 0.49 0.00 0.13 -0.04 4.32 4.90 2r59A1 THR 421 HG23 0.55 0.03 -0.05 -0.04 1.22 1.70 2r59A1 ASP 422 H 0.08 0.06 -0.18 -0.55 8.40 7.81 2r59A1 ASP 422 HA 0.15 0.12 0.35 -0.75 4.63 4.49 2r59A1 ASP 422 HB2 0.06 -0.03 0.06 -0.04 2.71 2.76 2r59A1 ASP 422 HB3 0.06 0.08 -0.01 -0.04 2.70 2.79 2r59A1 ASP 423 H 0.02 -0.01 -0.21 -0.55 8.40 7.65 2r59A1 ASP 423 HA 0.11 0.09 0.49 -0.75 4.63 4.57 2r59A1 ASP 423 HB2 -0.20 0.07 0.11 -0.04 2.71 2.65 2r59A1 ASP 423 HB3 -0.28 0.12 -0.02 -0.04 2.70 2.48 2r59A1 TRP 424 H 0.28 0.41 -0.18 -0.55 7.97 7.93 2r59A1 TRP 424 HA 0.32 0.08 0.40 -0.75 4.62 4.67 2r59A1 TRP 424 HB2 0.05 0.01 0.03 -0.04 3.23 3.28 2r59A1 TRP 424 HB3 0.16 0.08 0.17 -0.04 3.23 3.59 2r59A1 TRP 424 HD1 -0.63 0.04 -0.05 -0.04 7.22 6.54 2r59A1 TRP 424 HE1 0.53 0.02 -0.08 -0.04 10.20 10.64 2r59A1 TRP 424 HE3 0.32 0.04 -0.03 -0.04 7.59 7.88 2r59A1 TRP 424 HZ2 0.35 0.01 -0.09 -0.04 7.44 7.67 2r59A1 TRP 424 HZ3 0.37 -0.01 -0.07 -0.04 7.13 7.38 2r59A1 TRP 424 HH2 0.45 0.02 -0.10 -0.04 7.19 7.51 2r59A1 LYS 425 H 0.42 0.63 -0.03 -0.55 8.42 8.89 2r59A1 LYS 425 HA -0.56 0.03 0.38 -0.75 4.32 3.42 2r59A1 LYS 425 HB2 0.21 0.04 0.08 -0.04 1.87 2.16 2r59A1 LYS 425 HB3 -0.04 0.03 0.06 -0.04 1.79 1.80 2r59A1 LYS 425 HG2 -0.49 -0.00 -0.11 -0.04 1.46 0.81 2r59A1 LYS 425 HG3 -0.89 -0.00 -0.00 -0.04 1.46 0.53 2r59A1 LYS 425 HD2 -0.44 -0.02 -0.06 -0.04 1.69 1.14 2r59A1 LYS 425 HD3 -0.28 -0.01 -0.07 -0.04 1.68 1.28 2r59A1 LYS 425 HE2 -1.12 0.02 -0.07 -0.04 2.99 1.78 2r59A1 LYS 425 HE3 -2.20 -0.01 -0.05 -0.04 2.99 0.69 2r59A1 ASP 426 H 0.07 0.59 -0.18 -0.55 8.40 8.33 2r59A1 ASP 426 HA -0.02 0.00 0.45 -0.75 4.63 4.31 2r59A1 ASP 426 HB2 0.15 0.11 0.19 -0.04 2.71 3.12 2r59A1 ASP 426 HB3 0.11 -0.03 -0.02 -0.04 2.70 2.73 2r59A1 PHE 427 H 0.34 0.60 -0.11 -0.55 8.34 8.62 2r59A1 PHE 427 HA 0.12 0.03 0.56 -0.75 4.62 4.57 2r59A1 PHE 427 HB2 0.38 0.03 0.10 -0.04 3.15 3.62 2r59A1 PHE 427 HB3 0.38 0.08 0.11 -0.04 3.06 3.59 2r59A1 PHE 427 HD2 0.17 -0.01 -0.05 -0.04 7.28 7.36 2r59A1 PHE 427 HE2 -0.14 0.03 -0.11 -0.04 7.38 7.12 2r59A1 PHE 427 HZ 0.01 0.01 -0.13 -0.04 7.32 7.17 2r59A1 LEU 428 H -0.11 0.67 -0.09 -0.55 8.37 8.30 2r59A1 LEU 428 HA -0.36 0.01 0.43 -0.75 4.35 3.67 2r59A1 LEU 428 HB2 -1.00 0.02 0.05 -0.04 1.64 0.67 2r59A1 LEU 428 HB3 -0.50 0.12 0.11 -0.04 1.64 1.33 2r59A1 LEU 428 HG -0.32 -0.02 -0.18 -0.04 1.64 1.07 2r59A1 LEU 428 HD13 -0.76 -0.01 -0.03 -0.04 0.93 0.09 2r59A1 LEU 428 HD23 -0.30 -0.01 -0.07 -0.04 0.89 0.46 2r59A1 TYR 429 H 0.07 0.47 -0.32 -0.55 8.29 7.97 2r59A1 TYR 429 HA -0.06 0.02 0.36 -0.75 4.56 4.12 2r59A1 TYR 429 HB2 -0.11 0.13 0.15 -0.04 3.06 3.19 2r59A1 TYR 429 HB3 -0.06 -0.04 -0.04 -0.04 2.98 2.79 2r59A1 TYR 429 HD2 -0.17 0.11 0.00 -0.04 7.15 7.04 2r59A1 TYR 429 HE2 -0.28 -0.01 -0.05 -0.04 6.85 6.47 2r59A1 SER 430 H -0.02 0.45 -0.15 -0.55 8.46 8.20 2r59A1 SER 430 HA -0.03 0.00 0.55 -0.75 4.49 4.26 2r59A1 SER 430 HB2 0.04 0.03 0.13 -0.04 3.95 4.11 2r59A1 SER 430 HB3 -0.17 0.09 0.21 -0.04 3.93 4.03 2r59A1 TYR 431 H -0.38 0.75 -0.07 -0.55 8.29 8.04 2r59A1 TYR 431 HA -0.41 0.01 0.30 -0.75 4.56 3.71 2r59A1 TYR 431 HB2 -0.99 0.04 0.09 -0.04 3.06 2.15 2r59A1 TYR 431 HB3 -0.58 0.04 0.10 -0.04 2.98 2.49 2r59A1 TYR 431 HD2 -1.26 0.02 -0.10 -0.04 7.15 5.77 2r59A1 TYR 431 HE2 -0.33 0.02 -0.05 -0.04 6.85 6.45 2r59A1 PHE 432 H -0.07 0.50 -0.32 -0.55 8.34 7.89 2r59A1 PHE 432 HA -0.17 0.14 0.76 -0.75 4.62 4.60 2r59A1 PHE 432 HB2 -0.24 0.19 0.09 -0.04 3.15 3.14 2r59A1 PHE 432 HB3 -0.16 -0.14 0.14 -0.04 3.06 2.86 2r59A1 PHE 432 HD2 -0.23 0.07 0.01 -0.04 7.28 7.09 2r59A1 PHE 432 HE2 -0.38 -0.01 -0.06 -0.04 7.38 6.90 2r59A1 PHE 432 HZ 0.10 -0.02 -0.12 -0.04 7.32 7.23 2r59A1 LYS 433 H -0.13 0.43 -0.46 -0.55 8.42 7.70 2r59A1 LYS 433 HA -0.02 0.10 0.36 -0.75 4.32 4.00 2r59A1 LYS 433 HB2 -0.01 -0.11 0.14 -0.04 1.87 1.84 2r59A1 LYS 433 HB3 -0.03 0.22 0.20 -0.04 1.79 2.14 2r59A1 LYS 433 HG2 -0.11 0.21 0.11 -0.04 1.46 1.62 2r59A1 LYS 433 HG3 -0.06 -0.10 -0.00 -0.04 1.46 1.25 2r59A1 LYS 433 HD2 -0.03 -0.08 0.03 -0.04 1.69 1.57 2r59A1 LYS 433 HD3 -0.04 0.04 0.09 -0.04 1.68 1.74 2r59A1 LYS 433 HE2 -0.04 -0.05 0.02 -0.04 2.99 2.89 2r59A1 LYS 433 HE3 -0.07 0.08 0.04 -0.04 2.99 3.00 2r59A1 ASP 434 H -0.05 0.17 -0.26 -0.55 8.40 7.71 2r59A1 ASP 434 HA -0.02 0.11 0.60 -0.75 4.63 4.56 2r59A1 ASP 434 HB2 -0.03 0.04 0.05 -0.04 2.71 2.73 2r59A1 ASP 434 HB3 -0.02 -0.00 0.15 -0.04 2.70 2.79 2r59A1 LYS 435 H 0.00 0.63 -0.46 -0.55 8.42 8.04 2r59A1 LYS 435 HA -0.03 0.13 0.85 -0.75 4.32 4.51 2r59A1 LYS 435 HB2 -0.05 0.10 0.09 -0.04 1.87 1.97 2r59A1 LYS 435 HB3 -0.10 -0.06 0.19 -0.04 1.79 1.78 2r59A1 LYS 435 HG2 -0.01 0.08 -0.18 -0.04 1.46 1.32 2r59A1 LYS 435 HG3 0.08 -0.06 -0.21 -0.04 1.46 1.23 2r59A1 LYS 435 HD2 0.01 0.04 0.04 -0.04 1.69 1.73 2r59A1 LYS 435 HD3 -0.08 -0.01 0.04 -0.04 1.68 1.59 2r59A1 LYS 435 HE2 -0.00 -0.04 -0.01 -0.04 2.99 2.90 2r59A1 LYS 435 HE3 0.05 -0.06 -0.04 -0.04 2.99 2.90 2r59A1 VAL 436 H -0.03 0.40 -0.07 -0.55 8.24 7.99 2r59A1 VAL 436 HA -0.16 0.07 0.39 -0.75 4.13 3.68 2r59A1 VAL 436 HB 0.10 -0.04 0.02 -0.04 2.12 2.16 2r59A1 VAL 436 HG13 0.05 0.01 0.09 -0.04 0.97 1.08 2r59A1 VAL 436 HG23 0.02 0.07 0.08 -0.04 0.95 1.09 2r59A1 ASP 437 H -0.01 0.12 -0.32 -0.55 8.40 7.64 2r59A1 ASP 437 HA 0.03 0.09 0.44 -0.75 4.63 4.44 2r59A1 ASP 437 HB2 -0.01 0.00 0.04 -0.04 2.71 2.70 2r59A1 ASP 437 HB3 0.00 0.04 -0.01 -0.04 2.70 2.69 2r59A1 VAL 438 H -0.06 0.12 -0.20 -0.55 8.24 7.55 2r59A1 VAL 438 HA -0.07 0.05 0.43 -0.75 4.13 3.78 2r59A1 VAL 438 HB -0.15 0.18 0.14 -0.04 2.12 2.25 2r59A1 VAL 438 HG13 -0.19 0.03 -0.11 -0.04 0.97 0.66 2r59A1 VAL 438 HG23 -0.08 -0.02 0.06 -0.04 0.95 0.87 2r59A1 LEU 439 H -0.13 0.46 -0.08 -0.55 8.37 8.08 2r59A1 LEU 439 HA -0.09 0.01 0.39 -0.75 4.35 3.91 2r59A1 LEU 439 HB2 -0.39 0.03 0.12 -0.04 1.64 1.36 2r59A1 LEU 439 HB3 -0.30 -0.04 -0.03 -0.04 1.64 1.22 2r59A1 LEU 439 HG -0.30 0.08 -0.05 -0.04 1.64 1.33 2r59A1 LEU 439 HD13 -0.72 0.01 -0.15 -0.04 0.93 0.02 2r59A1 LEU 439 HD23 -0.16 -0.01 -0.06 -0.04 0.89 0.61 2r59A1 ASN 440 H 0.10 0.73 -0.12 -0.55 8.53 8.69 2r59A1 ASN 440 HA 0.38 -0.00 0.42 -0.75 4.76 4.79 2r59A1 ASN 440 HB2 0.11 0.08 0.13 -0.04 2.88 3.17 2r59A1 ASN 440 HB3 0.15 -0.07 0.11 -0.04 2.79 2.94 2r59A1 ASN 440 HD21 0.19 -0.07 -0.02 -0.04 7.03 7.08 2r59A1 ASN 440 HD22 0.12 -0.05 -0.05 -0.04 7.74 7.72 2r59A1 GLN 441 H 0.02 0.35 -0.62 -0.55 8.47 7.68 2r59A1 GLN 441 HA 0.04 0.02 0.58 -0.75 4.36 4.25 2r59A1 GLN 441 HB2 -0.04 0.23 0.12 -0.04 2.15 2.42 2r59A1 GLN 441 HB3 0.01 -0.11 0.06 -0.04 2.02 1.94 2r59A1 GLN 441 HG2 0.01 -0.08 0.02 -0.04 2.40 2.31 2r59A1 GLN 441 HG3 0.01 0.10 0.00 -0.04 2.39 2.46 2r59A1 GLN 441 HE21 -0.03 -0.07 -0.08 -0.04 6.97 6.75 2r59A1 GLN 441 HE22 -0.01 0.02 -0.13 -0.04 7.69 7.53 2r59A1 VAL 442 H -0.06 0.67 -0.16 -0.55 8.24 8.15 2r59A1 VAL 442 HA -0.06 0.00 0.43 -0.75 4.13 3.75 2r59A1 VAL 442 HB -1.26 0.06 0.10 -0.04 2.12 0.98 2r59A1 VAL 442 HG13 -1.04 -0.05 -0.22 -0.04 0.97 -0.38 2r59A1 VAL 442 HG23 -0.39 0.02 0.03 -0.04 0.95 0.56 2r59A1 ASP 443 H 0.07 0.16 0.10 -0.55 8.40 8.18 2r59A1 ASP 443 HA 0.06 0.15 0.64 -0.75 4.63 4.73 2r59A1 ASP 443 HB2 0.02 0.14 0.14 -0.04 2.71 2.97 2r59A1 ASP 443 HB3 0.02 -0.02 0.25 -0.04 2.70 2.91 2r59A1 TRP 444 H 0.15 0.49 -0.01 -0.55 7.97 8.05 2r59A1 TRP 444 HA 0.23 0.05 0.20 -0.75 4.62 4.36 2r59A1 TRP 444 HB2 0.17 0.01 0.10 -0.04 3.23 3.46 2r59A1 TRP 444 HB3 0.18 -0.03 -0.02 -0.04 3.23 3.32 2r59A1 TRP 444 HD1 0.17 0.05 0.03 -0.04 7.22 7.43 2r59A1 TRP 444 HE1 0.29 0.10 -0.11 -0.04 10.20 10.44 2r59A1 TRP 444 HE3 0.19 -0.06 -0.03 -0.04 7.59 7.65 2r59A1 TRP 444 HZ2 -0.03 0.02 -0.04 -0.04 7.44 7.35 2r59A1 TRP 444 HZ3 0.44 -0.01 -0.07 -0.04 7.13 7.44 2r59A1 TRP 444 HH2 -0.00 0.01 -0.06 -0.04 7.19 7.09 2r59A1 ASN 445 H 0.32 0.13 -0.15 -0.55 8.53 8.28 2r59A1 ASN 445 HA 0.43 0.06 0.29 -0.75 4.76 4.78 2r59A1 ASN 445 HB2 0.26 0.00 0.05 -0.04 2.88 3.16 2r59A1 ASN 445 HB3 0.18 0.01 0.04 -0.04 2.79 2.98 2r59A1 ASN 445 HD21 0.14 0.05 -0.04 -0.04 7.03 7.15 2r59A1 ASN 445 HD22 0.26 -0.04 -0.00 -0.04 7.74 7.91 2r59A1 ALA 446 H 0.11 0.09 -0.23 -0.55 8.40 7.83 2r59A1 ALA 446 HA 0.00 0.09 0.49 -0.75 4.34 4.16 2r59A1 ALA 446 HB3 -0.13 0.03 0.12 -0.04 1.41 1.39 2r59A1 TRP 447 H 0.19 0.42 -0.04 -0.55 7.97 7.99 2r59A1 TRP 447 HA -0.11 0.07 0.28 -0.75 4.62 4.10 2r59A1 TRP 447 HB2 -0.08 0.03 0.10 -0.04 3.23 3.25 2r59A1 TRP 447 HB3 -0.10 -0.04 -0.05 -0.04 3.23 3.00 2r59A1 TRP 447 HD1 -0.27 -0.01 -0.08 -0.04 7.22 6.82 2r59A1 TRP 447 HE1 -0.59 -0.02 -0.03 -0.04 10.20 9.52 2r59A1 TRP 447 HE3 -0.14 0.05 0.05 -0.04 7.59 7.51 2r59A1 TRP 447 HZ2 -0.83 0.03 -0.03 -0.04 7.44 6.56 2r59A1 TRP 447 HZ3 0.01 0.04 0.02 -0.04 7.13 7.16 2r59A1 TRP 447 HH2 0.04 0.04 -0.11 -0.04 7.19 7.12 2r59A1 LEU 448 H 0.09 0.59 -0.09 -0.55 8.37 8.41 2r59A1 LEU 448 HA -0.31 0.05 0.56 -0.75 4.35 3.91 2r59A1 LEU 448 HB2 -0.87 0.05 0.03 -0.04 1.64 0.80 2r59A1 LEU 448 HB3 -0.82 -0.12 0.02 -0.04 1.64 0.69 2r59A1 LEU 448 HG 0.32 0.10 0.04 -0.04 1.64 2.07 2r59A1 LEU 448 HD13 0.23 -0.04 -0.08 -0.04 0.93 1.00 2r59A1 LEU 448 HD23 0.01 -0.01 -0.08 -0.04 0.89 0.76 2r59A1 TYR 449 H -0.01 0.38 -0.04 -0.55 8.29 8.06 2r59A1 TYR 449 HA 0.04 0.20 1.04 -0.75 4.56 5.09 2r59A1 TYR 449 HB2 0.07 0.06 0.07 -0.04 3.06 3.22 2r59A1 TYR 449 HB3 0.06 -0.03 0.11 -0.04 2.98 3.07 2r59A1 TYR 449 HD2 0.11 0.08 -0.02 -0.04 7.15 7.27 2r59A1 TYR 449 HE2 0.16 -0.05 -0.08 -0.04 6.85 6.83 2r59A1 SER 450 H 0.05 0.35 0.22 -0.55 8.46 8.54 2r59A1 SER 450 HA 0.04 0.08 0.85 -0.75 4.49 4.71 2r59A1 SER 450 HB2 -0.03 0.07 0.25 -0.04 3.95 4.20 2r59A1 SER 450 HB3 -0.02 0.09 0.07 -0.04 3.93 4.04 2r59A1 PRO 451 HA -0.00 0.10 0.08 -0.51 4.44 4.10 2r59A1 PRO 451 HB2 0.00 -0.01 -0.24 -0.04 2.28 2.00 2r59A1 PRO 451 HB3 0.00 0.05 -0.22 -0.04 2.02 1.81 2r59A1 PRO 451 HG2 -0.01 0.05 0.04 -0.04 2.03 2.06 2r59A1 PRO 451 HG3 -0.01 0.05 0.02 -0.04 2.03 2.05 2r59A1 PRO 451 HD2 -0.00 -0.01 0.22 -0.04 3.68 3.85 2r59A1 PRO 451 HD3 0.01 0.14 0.20 -0.04 3.65 3.97 2r59A1 GLY 452 H -0.01 -0.03 -0.02 -0.55 8.43 7.82 2r59A1 GLY 452 HA2 -0.04 -0.15 0.31 -0.51 4.01 3.62 2r59A1 GLY 452 HA3 -0.05 0.13 0.48 -0.51 4.01 4.06 2r59A1 LEU 453 H -0.09 -0.01 0.11 -0.55 8.37 7.83 2r59A1 LEU 453 HA -0.25 0.03 0.42 -0.75 4.35 3.80 2r59A1 LEU 453 HB2 -0.06 -0.03 0.07 -0.04 1.64 1.57 2r59A1 LEU 453 HB3 -0.07 0.07 0.04 -0.04 1.64 1.64 2r59A1 LEU 453 HG -0.13 -0.06 0.03 -0.04 1.64 1.44 2r59A1 LEU 453 HD13 0.01 -0.01 -0.01 -0.04 0.93 0.89 2r59A1 LEU 453 HD23 -0.47 -0.00 -0.07 -0.04 0.89 0.31 2r59A1 PRO 454 HA -0.63 0.21 0.42 -0.51 4.44 3.93 2r59A1 PRO 454 HB2 -0.65 0.01 -0.04 -0.04 2.28 1.56 2r59A1 PRO 454 HB3 -1.66 0.03 0.11 -0.04 2.02 0.45 2r59A1 PRO 454 HG2 0.16 -0.02 0.07 -0.04 2.03 2.20 2r59A1 PRO 454 HG3 -0.14 0.07 0.10 -0.04 2.03 2.02 2r59A1 PRO 454 HD2 -0.29 0.02 0.14 -0.04 3.68 3.51 2r59A1 PRO 454 HD3 -0.38 0.12 0.19 -0.04 3.65 3.55 2r59A1 PRO 455 HA -0.24 0.13 0.26 -0.51 4.44 4.08 2r59A1 PRO 455 HB2 -0.25 -0.01 0.06 -0.04 2.28 2.04 2r59A1 PRO 455 HB3 -0.28 0.03 0.09 -0.04 2.02 1.82 2r59A1 PRO 455 HG2 -0.79 0.00 0.02 -0.04 2.03 1.21 2r59A1 PRO 455 HG3 -0.59 -0.05 0.08 -0.04 2.03 1.42 2r59A1 PRO 455 HD2 -2.53 0.08 0.14 -0.04 3.68 1.32 2r59A1 PRO 455 HD3 -0.92 0.22 0.05 -0.04 3.65 2.97 2r59A1 ILE 456 H -0.48 0.18 -0.59 -0.55 8.25 6.81 2r59A1 ILE 456 HA -0.11 0.07 0.61 -0.75 4.18 3.99 2r59A1 ILE 456 HB -0.15 0.12 -0.20 -0.04 1.89 1.62 2r59A1 ILE 456 HG12 -0.13 -0.06 -0.18 -0.04 1.49 1.08 2r59A1 ILE 456 HG13 -0.09 0.11 -0.17 -0.04 1.21 1.02 2r59A1 ILE 456 HG23 -0.40 -0.03 -0.12 -0.04 0.93 0.34 2r59A1 ILE 456 HD13 -0.02 -0.00 -0.02 -0.04 0.88 0.80 2r59A1 LYS 457 H -0.11 0.15 0.06 -0.55 8.42 7.96 2r59A1 LYS 457 HA -0.38 0.17 0.86 -0.75 4.32 4.22 2r59A1 LYS 457 HB2 -0.49 0.01 0.02 -0.04 1.87 1.37 2r59A1 LYS 457 HB3 -0.29 -0.04 0.13 -0.04 1.79 1.55 2r59A1 LYS 457 HG2 -0.42 0.20 -0.12 -0.04 1.46 1.09 2r59A1 LYS 457 HG3 -1.91 -0.02 0.04 -0.04 1.46 -0.47 2r59A1 LYS 457 HD2 -1.20 -0.00 -0.02 -0.04 1.69 0.43 2r59A1 LYS 457 HD3 -0.37 -0.03 -0.01 -0.04 1.68 1.23 2r59A1 LYS 457 HE2 -0.22 -0.01 -0.02 -0.04 2.99 2.70 2r59A1 LYS 457 HE3 -0.77 -0.02 -0.04 -0.04 2.99 2.12 2r59A1 PRO 458 HA -0.13 0.06 0.38 -0.51 4.44 4.24 2r59A1 PRO 458 HB2 -0.58 -0.01 -0.19 -0.04 2.28 1.46 2r59A1 PRO 458 HB3 -0.42 0.01 -0.06 -0.04 2.02 1.52 2r59A1 PRO 458 HG2 0.36 -0.00 0.05 -0.04 2.03 2.40 2r59A1 PRO 458 HG3 0.17 0.07 0.05 -0.04 2.03 2.28 2r59A1 PRO 458 HD2 -0.07 0.05 0.17 -0.04 3.68 3.79 2r59A1 PRO 458 HD3 0.22 0.34 0.23 -0.04 3.65 4.40 2r59A1 ASN 459 H -0.33 0.11 0.09 -0.55 8.53 7.86 2r59A1 ASN 459 HA -0.12 0.17 0.84 -0.75 4.76 4.90 2r59A1 ASN 459 HB2 -0.15 -0.03 0.08 -0.04 2.88 2.74 2r59A1 ASN 459 HB3 -0.05 -0.02 -0.06 -0.04 2.79 2.62 2r59A1 ASN 459 HD21 -0.08 0.05 -0.02 -0.04 7.03 6.94 2r59A1 ASN 459 HD22 -0.13 -0.02 0.02 -0.04 7.74 7.57 2r59A1 TYR 460 H 0.15 0.24 0.08 -0.55 8.29 8.22 2r59A1 TYR 460 HA 0.44 0.13 0.90 -0.75 4.56 5.27 2r59A1 TYR 460 HB2 0.06 -0.01 0.01 -0.04 3.06 3.07 2r59A1 TYR 460 HB3 0.15 0.08 -0.07 -0.04 2.98 3.11 2r59A1 TYR 460 HD2 -0.01 0.01 -0.10 -0.04 7.15 7.01 2r59A1 TYR 460 HE2 -0.17 0.02 -0.21 -0.04 6.85 6.44 2r59A1 ASP 461 H 0.66 0.14 0.12 -0.55 8.40 8.78 2r59A1 ASP 461 HA 0.08 0.08 0.64 -0.75 4.63 4.67 2r59A1 ASP 461 HB2 -0.27 0.09 0.14 -0.04 2.71 2.63 2r59A1 ASP 461 HB3 0.03 -0.01 0.14 -0.04 2.70 2.81 2r59A1 MET 462 H 0.09 0.17 0.17 -0.55 8.47 8.35 2r59A1 MET 462 HA 0.13 0.25 0.73 -0.75 4.52 4.88 2r59A1 MET 462 HB2 0.07 0.02 0.04 -0.04 2.15 2.24 2r59A1 MET 462 HB3 0.08 -0.03 0.10 -0.04 2.03 2.14 2r59A1 MET 462 HG2 0.11 0.17 -0.09 -0.04 2.63 2.78 2r59A1 MET 462 HG3 0.07 0.04 0.01 -0.04 2.56 2.63 2r59A1 MET 462 HE3 0.04 0.01 -0.03 -0.04 2.10 2.08 2r59A1 THR 463 H 0.10 0.11 -0.11 -0.55 8.28 7.83 2r59A1 THR 463 HA 0.07 0.11 0.21 -0.75 4.39 4.02 2r59A1 THR 463 HB 0.08 -0.06 0.08 -0.04 4.32 4.38 2r59A1 THR 463 HG23 0.05 0.03 -0.11 -0.04 1.22 1.14 2r59A1 LEU 464 H 0.15 0.13 -0.10 -0.55 8.37 8.01 2r59A1 LEU 464 HA 0.06 0.17 0.66 -0.75 4.35 4.49 2r59A1 LEU 464 HB2 0.16 0.03 -0.02 -0.04 1.64 1.77 2r59A1 LEU 464 HB3 -0.20 -0.00 0.04 -0.04 1.64 1.44 2r59A1 LEU 464 HG 0.07 -0.08 -0.07 -0.04 1.64 1.52 2r59A1 LEU 464 HD13 0.05 0.03 -0.16 -0.04 0.93 0.80 2r59A1 LEU 464 HD23 -0.02 0.02 0.00 -0.04 0.89 0.85 2r59A1 THR 465 H 0.22 0.20 -0.39 -0.55 8.28 7.76 2r59A1 THR 465 HA 0.35 0.10 0.59 -0.75 4.39 4.67 2r59A1 THR 465 HB 0.13 0.13 0.08 -0.04 4.32 4.61 2r59A1 THR 465 HG23 0.04 0.00 -0.05 -0.04 1.22 1.18 2r59A1 ASN 466 H 0.12 0.41 -0.08 -0.55 8.53 8.43 2r59A1 ASN 466 HA 0.09 0.04 0.32 -0.75 4.76 4.45 2r59A1 ASN 466 HB2 0.07 0.09 0.11 -0.04 2.88 3.11 2r59A1 ASN 466 HB3 0.07 0.01 -0.01 -0.04 2.79 2.81 2r59A1 ASN 466 HD21 0.06 -0.07 -0.12 -0.04 7.03 6.86 2r59A1 ASN 466 HD22 0.06 0.02 -0.04 -0.04 7.74 7.74 2r59A1 ALA 467 H 0.09 0.20 -0.20 -0.55 8.40 7.94 2r59A1 ALA 467 HA 0.08 0.07 0.40 -0.75 4.34 4.13 2r59A1 ALA 467 HB3 0.06 0.03 0.02 -0.04 1.41 1.48 2r59A1 CYS 468 H 0.15 0.18 -0.32 -0.55 8.50 7.97 2r59A1 CYS 468 HA 0.22 0.06 0.53 -0.75 4.58 4.63 2r59A1 CYS 468 HB2 0.17 0.14 0.06 -0.04 2.97 3.31 2r59A1 CYS 468 HB3 0.21 -0.03 -0.19 -0.04 2.97 2.92 2r59A1 ILE 469 H 0.13 0.50 -0.04 -0.55 8.25 8.29 2r59A1 ILE 469 HA 0.12 0.05 0.36 -0.75 4.18 3.97 2r59A1 ILE 469 HB 0.09 0.05 0.12 -0.04 1.89 2.11 2r59A1 ILE 469 HG12 0.06 0.02 -0.02 -0.04 1.49 1.51 2r59A1 ILE 469 HG13 0.08 0.01 -0.00 -0.04 1.21 1.26 2r59A1 ILE 469 HG23 0.07 0.00 -0.14 -0.04 0.93 0.83 2r59A1 ILE 469 HD13 0.05 -0.02 -0.12 -0.04 0.88 0.75 2r59A1 ALA 470 H 0.12 0.64 -0.06 -0.55 8.40 8.55 2r59A1 ALA 470 HA 0.11 0.02 0.40 -0.75 4.34 4.12 2r59A1 ALA 470 HB3 0.09 0.01 0.05 -0.04 1.41 1.52 2r59A1 LEU 471 H 0.18 0.45 -0.21 -0.55 8.37 8.25 2r59A1 LEU 471 HA 0.26 0.03 0.51 -0.75 4.35 4.40 2r59A1 LEU 471 HB2 0.08 0.08 0.13 -0.04 1.64 1.89 2r59A1 LEU 471 HB3 0.16 0.04 0.12 -0.04 1.64 1.92 2r59A1 LEU 471 HG 0.28 -0.02 -0.12 -0.04 1.64 1.73 2r59A1 LEU 471 HD13 0.30 -0.01 0.03 -0.04 0.93 1.21 2r59A1 LEU 471 HD23 -0.53 0.01 -0.09 -0.04 0.89 0.24 2r59A1 SER 472 H 0.41 0.59 -0.10 -0.55 8.46 8.81 2r59A1 SER 472 HA 0.50 -0.01 0.41 -0.75 4.49 4.64 2r59A1 SER 472 HB2 0.15 0.04 0.13 -0.04 3.95 4.22 2r59A1 SER 472 HB3 0.17 0.07 0.14 -0.04 3.93 4.26 2r59A1 GLN 473 H 0.20 0.65 -0.14 -0.55 8.47 8.63 2r59A1 GLN 473 HA 0.15 0.02 0.44 -0.75 4.36 4.22 2r59A1 GLN 473 HB2 0.12 0.09 0.13 -0.04 2.15 2.45 2r59A1 GLN 473 HB3 0.10 -0.05 0.01 -0.04 2.02 2.04 2r59A1 GLN 473 HG2 0.10 0.07 0.02 -0.04 2.40 2.56 2r59A1 GLN 473 HG3 0.08 -0.06 -0.03 -0.04 2.39 2.34 2r59A1 GLN 473 HE21 0.06 0.02 -0.02 -0.04 6.97 6.99 2r59A1 GLN 473 HE22 0.07 -0.02 -0.00 -0.04 7.69 7.69 2r59A1 ARG 474 H 0.24 0.46 -0.23 -0.55 8.46 8.37 2r59A1 ARG 474 HA 0.13 -0.02 0.35 -0.75 4.34 4.04 2r59A1 ARG 474 HB2 0.31 0.15 0.18 -0.04 1.90 2.50 2r59A1 ARG 474 HB3 0.23 -0.06 -0.08 -0.04 1.80 1.85 2r59A1 ARG 474 HG2 0.04 -0.06 0.01 -0.04 1.67 1.62 2r59A1 ARG 474 HG3 0.12 0.20 0.06 -0.04 1.67 2.01 2r59A1 ARG 474 HD2 0.02 -0.05 -0.04 -0.04 3.22 3.11 2r59A1 ARG 474 HD3 0.13 -0.02 -0.02 -0.04 3.22 3.27 2r59A1 TRP 475 H 0.51 0.50 -0.18 -0.55 7.97 8.25 2r59A1 TRP 475 HA 0.14 -0.00 0.50 -0.75 4.62 4.50 2r59A1 TRP 475 HB2 0.19 0.14 0.15 -0.04 3.23 3.67 2r59A1 TRP 475 HB3 0.09 -0.03 -0.06 -0.04 3.23 3.19 2r59A1 TRP 475 HD1 0.26 0.19 -0.07 -0.04 7.22 7.57 2r59A1 TRP 475 HE1 0.04 -0.05 -0.07 -0.04 10.20 10.07 2r59A1 TRP 475 HE3 -0.16 0.01 -0.02 -0.04 7.59 7.39 2r59A1 TRP 475 HZ2 -0.87 -0.04 -0.12 -0.04 7.44 6.38 2r59A1 TRP 475 HZ3 -0.27 0.01 0.06 -0.04 7.13 6.88 2r59A1 TRP 475 HH2 -0.41 -0.03 -0.29 -0.04 7.19 6.42 2r59A1 ILE 476 H 0.31 0.55 -0.02 -0.55 8.25 8.55 2r59A1 ILE 476 HA 0.17 0.02 0.46 -0.75 4.18 4.07 2r59A1 ILE 476 HB 0.14 -0.00 0.15 -0.04 1.89 2.13 2r59A1 ILE 476 HG12 0.06 0.06 0.02 -0.04 1.49 1.58 2r59A1 ILE 476 HG13 0.15 -0.07 0.04 -0.04 1.21 1.29 2r59A1 ILE 476 HG23 0.06 -0.01 -0.10 -0.04 0.93 0.85 2r59A1 ILE 476 HD13 0.06 -0.01 -0.12 -0.04 0.88 0.76 2r59A1 THR 477 H 0.16 0.64 -0.14 -0.55 8.28 8.40 2r59A1 THR 477 HA 0.09 0.12 0.61 -0.75 4.39 4.46 2r59A1 THR 477 HB 0.06 -0.11 0.13 -0.04 4.32 4.36 2r59A1 THR 477 HG23 0.07 0.01 0.00 -0.04 1.22 1.27 2r59A1 ALA 478 H 0.24 0.34 -0.57 -0.55 8.40 7.86 2r59A1 ALA 478 HA 0.05 -0.09 0.27 -0.75 4.34 3.82 2r59A1 ALA 478 HB3 0.11 0.05 0.05 -0.04 1.41 1.57 2r59A1 LYS 479 H 0.03 0.03 0.19 -0.55 8.42 8.11 2r59A1 LYS 479 HA 0.15 0.28 0.83 -0.75 4.32 4.84 2r59A1 LYS 479 HB2 0.02 -0.14 0.06 -0.04 1.87 1.77 2r59A1 LYS 479 HB3 0.04 -0.07 0.19 -0.04 1.79 1.91 2r59A1 LYS 479 HG2 0.03 0.10 0.03 -0.04 1.46 1.58 2r59A1 LYS 479 HG3 0.02 -0.03 0.04 -0.04 1.46 1.45 2r59A1 LYS 479 HD2 0.05 -0.08 0.03 -0.04 1.69 1.65 2r59A1 LYS 479 HD3 0.08 0.22 -0.26 -0.04 1.68 1.68 2r59A1 LYS 479 HE2 0.02 -0.09 0.00 -0.04 2.99 2.89 2r59A1 LYS 479 HE3 0.03 0.01 -0.02 -0.04 2.99 2.97 2r59A1 GLU 480 H 0.07 0.20 0.15 -0.55 8.60 8.47 2r59A1 GLU 480 HA 0.02 0.09 0.32 -0.75 4.29 3.97 2r59A1 GLU 480 HB2 0.05 0.03 0.16 -0.04 2.09 2.29 2r59A1 GLU 480 HB3 0.02 -0.01 0.12 -0.04 1.99 2.08 2r59A1 GLU 480 HG2 -0.00 0.00 -0.10 -0.04 2.34 2.19 2r59A1 GLU 480 HG3 0.02 -0.00 0.06 -0.04 2.34 2.37 2r59A1 ASP 481 H -0.01 0.08 -0.26 -0.55 8.40 7.67 2r59A1 ASP 481 HA -0.04 0.11 0.31 -0.75 4.63 4.25 2r59A1 ASP 481 HB2 -0.04 0.04 0.14 -0.04 2.71 2.81 2r59A1 ASP 481 HB3 -0.02 -0.01 0.07 -0.04 2.70 2.69 2r59A1 ASP 482 H -0.07 0.57 -0.56 -0.55 8.40 7.79 2r59A1 ASP 482 HA -0.17 0.17 0.73 -0.75 4.63 4.60 2r59A1 ASP 482 HB2 -0.09 0.14 0.10 -0.04 2.71 2.82 2r59A1 ASP 482 HB3 -0.25 0.04 0.07 -0.04 2.70 2.53 2r59A1 LEU 483 H -0.10 0.44 -0.07 -0.55 8.37 8.09 2r59A1 LEU 483 HA -0.00 0.07 0.20 -0.75 4.35 3.86 2r59A1 LEU 483 HB2 -0.05 0.06 0.13 -0.04 1.64 1.74 2r59A1 LEU 483 HB3 -0.02 -0.01 0.03 -0.04 1.64 1.59 2r59A1 LEU 483 HG -0.14 0.09 0.01 -0.04 1.64 1.55 2r59A1 LEU 483 HD13 -0.04 -0.01 -0.15 -0.04 0.93 0.69 2r59A1 LEU 483 HD23 -0.50 0.00 -0.09 -0.04 0.89 0.27 2r59A1 ASN 484 H -0.10 0.11 -0.26 -0.55 8.53 7.74 2r59A1 ASN 484 HA -0.06 0.06 0.31 -0.75 4.76 4.32 2r59A1 ASN 484 HB2 -0.06 -0.04 0.05 -0.04 2.88 2.79 2r59A1 ASN 484 HB3 -0.10 0.05 -0.05 -0.04 2.79 2.65 2r59A1 ASN 484 HD21 -0.06 -0.03 -0.06 -0.04 7.03 6.84 2r59A1 ASN 484 HD22 -0.08 0.02 -0.20 -0.04 7.74 7.43 2r59A1 SER 485 H -0.30 0.35 -0.49 -0.55 8.46 7.47 2r59A1 SER 485 HA -0.19 0.05 0.43 -0.75 4.49 4.03 2r59A1 SER 485 HB2 -0.31 -0.07 0.08 -0.04 3.95 3.61 2r59A1 SER 485 HB3 -0.27 -0.06 0.05 -0.04 3.93 3.61 2r59A1 PHE 486 H -0.30 0.40 -0.23 -0.55 8.34 7.65 2r59A1 PHE 486 HA -0.13 0.04 0.73 -0.75 4.62 4.50 2r59A1 PHE 486 HB2 -0.30 0.11 0.04 -0.04 3.15 2.95 2r59A1 PHE 486 HB3 -0.09 -0.08 -0.05 -0.04 3.06 2.79 2r59A1 PHE 486 HD2 -0.51 0.02 0.04 -0.04 7.28 6.79 2r59A1 PHE 486 HE2 -0.70 -0.03 -0.14 -0.04 7.38 6.47 2r59A1 PHE 486 HZ -0.66 0.18 -0.46 -0.04 7.32 6.34 2r59A1 ASN 487 H 0.24 0.21 0.19 -0.55 8.53 8.62 2r59A1 ASN 487 HA 0.04 0.18 0.72 -0.75 4.76 4.94 2r59A1 ASN 487 HB2 0.01 0.24 -0.31 -0.04 2.88 2.77 2r59A1 ASN 487 HB3 0.04 -0.07 -0.02 -0.04 2.79 2.70 2r59A1 ASN 487 HD21 0.01 -0.01 0.05 -0.04 7.03 7.03 2r59A1 ASN 487 HD22 -0.00 0.14 0.05 -0.04 7.74 7.89 2r59A1 ALA 488 H 0.07 0.26 0.18 -0.55 8.40 8.37 2r59A1 ALA 488 HA 0.27 0.09 0.47 -0.75 4.34 4.42 2r59A1 ALA 488 HB3 0.05 0.09 0.18 -0.04 1.41 1.68 2r59A1 THR 489 H 0.06 0.07 -0.46 -0.55 8.28 7.40 2r59A1 THR 489 HA 0.02 0.10 0.50 -0.75 4.39 4.25 2r59A1 THR 489 HB 0.01 0.00 0.05 -0.04 4.32 4.35 2r59A1 THR 489 HG23 0.01 0.00 0.01 -0.04 1.22 1.20 2r59A1 ASP 490 H 0.14 0.68 -0.15 -0.55 8.40 8.52 2r59A1 ASP 490 HA 0.05 0.04 0.47 -0.75 4.63 4.44 2r59A1 ASP 490 HB2 0.20 0.03 0.01 -0.04 2.71 2.91 2r59A1 ASP 490 HB3 0.13 -0.02 0.01 -0.04 2.70 2.78 2r59A1 LEU 491 H -0.05 0.36 -0.42 -0.55 8.37 7.72 2r59A1 LEU 491 HA -0.16 0.08 0.48 -0.75 4.35 3.99 2r59A1 LEU 491 HB2 -0.12 0.18 0.05 -0.04 1.64 1.71 2r59A1 LEU 491 HB3 -0.15 -0.05 0.09 -0.04 1.64 1.49 2r59A1 LEU 491 HG -0.63 0.01 -0.02 -0.04 1.64 0.95 2r59A1 LEU 491 HD13 -0.41 -0.00 0.01 -0.04 0.93 0.49 2r59A1 LEU 491 HD23 -0.74 -0.01 -0.14 -0.04 0.89 -0.04 2r59A1 LYS 492 H -0.02 0.41 -0.31 -0.55 8.42 7.94 2r59A1 LYS 492 HA -0.02 0.07 0.16 -0.75 4.32 3.77 2r59A1 LYS 492 HB2 -0.01 -0.03 0.10 -0.04 1.87 1.89 2r59A1 LYS 492 HB3 -0.01 0.00 0.16 -0.04 1.79 1.90 2r59A1 LYS 492 HG2 -0.00 0.05 0.05 -0.04 1.46 1.51 2r59A1 LYS 492 HG3 -0.01 -0.04 -0.15 -0.04 1.46 1.23 2r59A1 LYS 492 HD2 -0.00 -0.05 0.04 -0.04 1.69 1.64 2r59A1 LYS 492 HD3 0.00 0.07 0.08 -0.04 1.68 1.79 2r59A1 LYS 492 HE2 -0.00 0.00 -0.01 -0.04 2.99 2.94 2r59A1 LYS 492 HE3 -0.00 -0.02 -0.03 -0.04 2.99 2.90 2r59A1 ASP 493 H -0.02 0.15 -0.30 -0.55 8.40 7.69 2r59A1 ASP 493 HA -0.01 0.20 0.76 -0.75 4.63 4.82 2r59A1 ASP 493 HB2 -0.00 0.03 0.03 -0.04 2.71 2.72 2r59A1 ASP 493 HB3 -0.00 -0.04 0.16 -0.04 2.70 2.78 2r59A1 LEU 494 H -0.03 0.52 -0.34 -0.55 8.37 7.98 2r59A1 LEU 494 HA -0.01 0.06 0.82 -0.75 4.35 4.47 2r59A1 LEU 494 HB2 -0.04 0.18 0.08 -0.04 1.64 1.81 2r59A1 LEU 494 HB3 0.00 -0.10 -0.12 -0.04 1.64 1.38 2r59A1 LEU 494 HG -0.05 0.02 -0.13 -0.04 1.64 1.44 2r59A1 LEU 494 HD13 -0.10 0.00 -0.13 -0.04 0.93 0.67 2r59A1 LEU 494 HD23 0.02 0.01 -0.19 -0.04 0.89 0.69 2r59A1 SER 495 H -0.02 0.06 0.16 -0.55 8.46 8.11 2r59A1 SER 495 HA -0.01 0.23 0.54 -0.75 4.49 4.50 2r59A1 SER 495 HB2 0.02 -0.06 0.20 -0.04 3.95 4.08 2r59A1 SER 495 HB3 -0.06 0.16 0.15 -0.04 3.93 4.14 2r59A1 SER 496 H 0.01 0.22 0.18 -0.55 8.46 8.33 2r59A1 SER 496 HA -0.01 0.18 0.52 -0.75 4.49 4.42 2r59A1 SER 496 HB2 -0.07 -0.01 0.08 -0.04 3.95 3.90 2r59A1 SER 496 HB3 -0.03 0.10 0.14 -0.04 3.93 4.11 2r59A1 HIS 497 H 0.18 0.10 -0.16 -0.55 8.41 7.99 2r59A1 HIS 497 HA 0.13 0.11 0.42 -0.75 4.63 4.54 2r59A1 HIS 497 HB2 0.01 -0.04 0.04 -0.04 3.26 3.23 2r59A1 HIS 497 HB3 0.30 0.06 -0.07 -0.04 3.20 3.45 2r59A1 HIS 497 HD2 0.25 0.01 -0.00 -0.04 6.97 7.19 2r59A1 HIS 497 HE1 -0.11 0.01 0.09 -0.04 7.75 7.71 2r59A1 GLN 498 H 0.09 0.04 -0.26 -0.55 8.47 7.80 2r59A1 GLN 498 HA 0.31 0.09 0.59 -0.75 4.36 4.61 2r59A1 GLN 498 HB2 0.03 -0.03 0.17 -0.04 2.15 2.28 2r59A1 GLN 498 HB3 0.09 0.06 0.03 -0.04 2.02 2.16 2r59A1 GLN 498 HG2 0.05 0.17 0.11 -0.04 2.40 2.69 2r59A1 GLN 498 HG3 -0.19 -0.11 0.05 -0.04 2.39 2.10 2r59A1 GLN 498 HE21 -0.00 0.03 0.12 -0.04 6.97 7.07 2r59A1 GLN 498 HE22 0.02 0.50 0.23 -0.04 7.69 8.40 2r59A1 LEU 499 H 0.06 0.44 -0.25 -0.55 8.37 8.07 2r59A1 LEU 499 HA 0.10 0.08 0.40 -0.75 4.35 4.18 2r59A1 LEU 499 HB2 0.01 0.10 0.06 -0.04 1.64 1.76 2r59A1 LEU 499 HB3 -0.01 0.05 0.07 -0.04 1.64 1.71 2r59A1 LEU 499 HG -0.15 -0.04 -0.15 -0.04 1.64 1.26 2r59A1 LEU 499 HD13 0.13 0.00 0.00 -0.04 0.93 1.03 2r59A1 LEU 499 HD23 0.04 0.01 -0.03 -0.04 0.89 0.86 2r59A1 ASN 500 H 0.06 0.44 -0.22 -0.55 8.53 8.26 2r59A1 ASN 500 HA -0.03 0.03 0.41 -0.75 4.76 4.42 2r59A1 ASN 500 HB2 0.00 0.02 0.09 -0.04 2.88 2.95 2r59A1 ASN 500 HB3 0.09 0.13 0.09 -0.04 2.79 3.06 2r59A1 ASN 500 HD21 0.06 0.02 -0.11 -0.04 7.03 6.95 2r59A1 ASN 500 HD22 0.07 0.03 -0.11 -0.04 7.74 7.69 2r59A1 GLU 501 H 0.19 0.40 -0.27 -0.55 8.60 8.38 2r59A1 GLU 501 HA 0.02 0.06 0.52 -0.75 4.29 4.14 2r59A1 GLU 501 HB2 0.18 0.03 0.09 -0.04 2.09 2.35 2r59A1 GLU 501 HB3 0.29 0.04 0.15 -0.04 1.99 2.43 2r59A1 GLU 501 HG2 -0.08 -0.03 -0.01 -0.04 2.34 2.18 2r59A1 GLU 501 HG3 0.06 0.00 -0.14 -0.04 2.34 2.22 2r59A1 PHE 502 H 0.24 0.63 -0.12 -0.55 8.34 8.53 2r59A1 PHE 502 HA 0.05 0.05 0.47 -0.75 4.62 4.43 2r59A1 PHE 502 HB2 0.05 -0.03 0.14 -0.04 3.15 3.27 2r59A1 PHE 502 HB3 -0.01 0.11 0.21 -0.04 3.06 3.34 2r59A1 PHE 502 HD2 0.02 0.04 -0.02 -0.04 7.28 7.28 2r59A1 PHE 502 HE2 0.23 0.03 -0.28 -0.04 7.38 7.32 2r59A1 PHE 502 HZ -0.56 0.01 -0.12 -0.04 7.32 6.61 2r59A1 LEU 503 H -0.06 0.45 -0.25 -0.55 8.37 7.96 2r59A1 LEU 503 HA -0.54 0.03 0.38 -0.75 4.35 3.47 2r59A1 LEU 503 HB2 -0.15 0.08 0.13 -0.04 1.64 1.65 2r59A1 LEU 503 HB3 -0.18 -0.03 -0.09 -0.04 1.64 1.30 2r59A1 LEU 503 HG -0.24 0.04 -0.02 -0.04 1.64 1.39 2r59A1 LEU 503 HD13 -0.42 -0.03 -0.03 -0.04 0.93 0.41 2r59A1 LEU 503 HD23 -0.23 -0.01 -0.08 -0.04 0.89 0.53 2r59A1 ALA 504 H -0.09 0.51 -0.15 -0.55 8.40 8.12 2r59A1 ALA 504 HA -0.10 0.03 0.37 -0.75 4.34 3.88 2r59A1 ALA 504 HB3 -0.05 -0.00 0.06 -0.04 1.41 1.38 2r59A1 GLN 505 H -0.09 0.62 -0.18 -0.55 8.47 8.28 2r59A1 GLN 505 HA -0.04 0.01 0.33 -0.75 4.36 3.90 2r59A1 GLN 505 HB2 -0.04 0.15 0.12 -0.04 2.15 2.33 2r59A1 GLN 505 HB3 0.01 -0.04 -0.06 -0.04 2.02 1.89 2r59A1 GLN 505 HG2 -0.00 0.08 0.00 -0.04 2.40 2.44 2r59A1 GLN 505 HG3 0.06 -0.11 -0.19 -0.04 2.39 2.11 2r59A1 GLN 505 HE21 -0.00 -0.00 -0.05 -0.04 6.97 6.87 2r59A1 GLN 505 HE22 -0.02 -0.04 -0.06 -0.04 7.69 7.52 2r59A1 THR 506 H -0.25 0.37 -0.29 -0.55 8.28 7.55 2r59A1 THR 506 HA -0.09 0.06 0.36 -0.75 4.39 3.97 2r59A1 THR 506 HB -0.38 0.02 0.11 -0.04 4.32 4.02 2r59A1 THR 506 HG23 -0.14 -0.01 -0.12 -0.04 1.22 0.91 2r59A1 LEU 507 H -0.18 0.71 -0.00 -0.55 8.37 8.35 2r59A1 LEU 507 HA -0.13 -0.03 0.49 -0.75 4.35 3.93 2r59A1 LEU 507 HB2 -0.16 0.05 0.11 -0.04 1.64 1.60 2r59A1 LEU 507 HB3 -0.13 0.10 0.07 -0.04 1.64 1.65 2r59A1 LEU 507 HG -0.14 0.03 -0.13 -0.04 1.64 1.37 2r59A1 LEU 507 HD13 -0.18 -0.01 -0.08 -0.04 0.93 0.62 2r59A1 LEU 507 HD23 -0.23 -0.02 -0.04 -0.04 0.89 0.57 2r59A1 GLN 508 H -0.08 0.36 -0.45 -0.55 8.47 7.75 2r59A1 GLN 508 HA -0.07 0.01 0.40 -0.75 4.36 3.95 2r59A1 GLN 508 HB2 -0.04 0.18 0.10 -0.04 2.15 2.34 2r59A1 GLN 508 HB3 -0.03 -0.05 -0.02 -0.04 2.02 1.88 2r59A1 GLN 508 HG2 -0.05 -0.03 0.03 -0.04 2.40 2.31 2r59A1 GLN 508 HG3 -0.06 0.07 0.01 -0.04 2.39 2.37 2r59A1 GLN 508 HE21 -0.02 -0.12 0.02 -0.04 6.97 6.82 2r59A1 GLN 508 HE22 -0.05 0.05 0.01 -0.04 7.69 7.66 2r59A1 ARG 509 H -0.06 0.46 -0.47 -0.55 8.46 7.84 2r59A1 ARG 509 HA -0.03 0.13 0.77 -0.75 4.34 4.46 2r59A1 ARG 509 HB2 -0.02 0.06 0.08 -0.04 1.90 1.98 2r59A1 ARG 509 HB3 -0.01 -0.04 0.13 -0.04 1.80 1.84 2r59A1 ARG 509 HG2 0.01 -0.08 -0.01 -0.04 1.67 1.54 2r59A1 ARG 509 HG3 -0.01 0.04 -0.09 -0.04 1.67 1.57 2r59A1 ARG 509 HD2 -0.02 0.07 -0.10 -0.04 3.22 3.13 2r59A1 ARG 509 HD3 0.01 -0.05 -0.05 -0.04 3.22 3.09 2r59A1 ALA 510 H -0.08 0.33 -0.31 -0.55 8.40 7.80 2r59A1 ALA 510 HA -0.08 -0.08 0.13 -0.75 4.34 3.56 2r59A1 ALA 510 HB3 -0.11 -0.02 0.03 -0.04 1.41 1.26 2r59A1 PRO 511 HA -0.11 -0.08 0.23 -0.51 4.44 3.98 2r59A1 PRO 511 HB2 -0.10 0.01 -0.07 -0.04 2.28 2.09 2r59A1 PRO 511 HB3 -0.12 0.29 0.11 -0.04 2.02 2.27 2r59A1 PRO 511 HG2 -0.07 -0.04 0.07 -0.04 2.03 1.95 2r59A1 PRO 511 HG3 -0.07 0.00 0.11 -0.04 2.03 2.03 2r59A1 PRO 511 HD2 -0.06 0.10 0.30 -0.04 3.68 3.99 2r59A1 PRO 511 HD3 -0.07 0.08 0.20 -0.04 3.65 3.82 2r59A1 LEU 512 H -0.10 0.06 0.11 -0.55 8.37 7.89 2r59A1 LEU 512 HA -0.11 0.26 0.70 -0.75 4.35 4.46 2r59A1 LEU 512 HB2 -0.06 -0.08 0.04 -0.04 1.64 1.50 2r59A1 LEU 512 HB3 -0.05 -0.02 0.04 -0.04 1.64 1.56 2r59A1 LEU 512 HG -0.02 0.11 0.06 -0.04 1.64 1.75 2r59A1 LEU 512 HD13 -0.03 0.05 -0.27 -0.04 0.93 0.64 2r59A1 LEU 512 HD23 0.13 -0.04 -0.14 -0.04 0.89 0.80 2r59A1 PRO 513 HA -0.10 0.13 0.59 -0.51 4.44 4.55 2r59A1 PRO 513 HB2 -0.10 -0.25 0.03 -0.04 2.28 1.93 2r59A1 PRO 513 HB3 -0.08 0.01 0.13 -0.04 2.02 2.04 2r59A1 PRO 513 HG2 -0.56 0.09 0.10 -0.04 2.03 1.62 2r59A1 PRO 513 HG3 -0.20 0.10 0.10 -0.04 2.03 2.00 2r59A1 PRO 513 HD2 -0.72 0.09 0.21 -0.04 3.68 3.21 2r59A1 PRO 513 HD3 -0.27 0.29 0.21 -0.04 3.65 3.84 2r59A1 LEU 514 H -0.08 0.19 0.22 -0.55 8.37 8.16 2r59A1 LEU 514 HA -0.19 0.15 0.34 -0.75 4.35 3.90 2r59A1 LEU 514 HB2 -0.09 0.23 0.18 -0.04 1.64 1.92 2r59A1 LEU 514 HB3 -0.08 -0.08 0.15 -0.04 1.64 1.59 2r59A1 LEU 514 HG -0.27 -0.08 -0.12 -0.04 1.64 1.13 2r59A1 LEU 514 HD13 -0.40 0.01 -0.03 -0.04 0.93 0.47 2r59A1 LEU 514 HD23 0.01 0.03 0.05 -0.04 0.89 0.94 2r59A1 GLY 515 H -0.02 0.10 -0.12 -0.55 8.43 7.85 2r59A1 GLY 515 HA2 -0.08 0.04 0.43 -0.51 4.01 3.90 2r59A1 GLY 515 HA3 0.04 0.05 0.24 -0.51 4.01 3.83 2r59A1 HIS 516 H 0.34 0.16 -0.29 -0.55 8.41 8.07 2r59A1 HIS 516 HA 0.24 0.04 0.54 -0.75 4.63 4.70 2r59A1 HIS 516 HB2 0.06 0.19 0.07 -0.04 3.26 3.54 2r59A1 HIS 516 HB3 0.26 -0.01 -0.06 -0.04 3.20 3.35 2r59A1 HIS 516 HD2 0.31 0.22 0.05 -0.04 6.97 7.50 2r59A1 HIS 516 HE1 0.06 -0.18 -0.15 -0.04 7.75 7.42 2r59A1 ILE 517 H -0.05 0.47 -0.14 -0.55 8.25 7.98 2r59A1 ILE 517 HA -0.02 0.01 0.32 -0.75 4.18 3.75 2r59A1 ILE 517 HB -0.34 0.11 0.09 -0.04 1.89 1.72 2r59A1 ILE 517 HG12 -0.11 0.16 -0.12 -0.04 1.49 1.37 2r59A1 ILE 517 HG13 -0.16 0.07 -0.11 -0.04 1.21 0.97 2r59A1 ILE 517 HG23 -0.28 -0.02 -0.16 -0.04 0.93 0.42 2r59A1 ILE 517 HD13 -0.03 -0.03 -0.16 -0.04 0.88 0.62 2r59A1 LYS 518 H -0.44 0.63 -0.07 -0.55 8.42 7.98 2r59A1 LYS 518 HA -0.79 -0.01 0.49 -0.75 4.32 3.26 2r59A1 LYS 518 HB2 -0.24 0.09 0.11 -0.04 1.87 1.78 2r59A1 LYS 518 HB3 -0.21 -0.04 0.00 -0.04 1.79 1.50 2r59A1 LYS 518 HG2 -0.96 -0.06 0.02 -0.04 1.46 0.42 2r59A1 LYS 518 HG3 -0.98 0.15 0.05 -0.04 1.46 0.63 2r59A1 LYS 518 HD2 -0.22 -0.03 -0.11 -0.04 1.69 1.30 2r59A1 LYS 518 HD3 -0.12 -0.01 -0.02 -0.04 1.68 1.49 2r59A1 LYS 518 HE2 0.06 -0.03 -0.01 -0.04 2.99 2.97 2r59A1 LYS 518 HE3 -0.31 0.00 -0.03 -0.04 2.99 2.61 2r59A1 ARG 519 H -0.04 0.56 -0.24 -0.55 8.46 8.18 2r59A1 ARG 519 HA 0.01 0.00 0.46 -0.75 4.34 4.06 2r59A1 ARG 519 HB2 0.07 0.03 0.13 -0.04 1.90 2.09 2r59A1 ARG 519 HB3 0.31 0.15 0.14 -0.04 1.80 2.36 2r59A1 ARG 519 HG2 0.12 0.01 -0.01 -0.04 1.67 1.75 2r59A1 ARG 519 HG3 0.24 -0.06 -0.21 -0.04 1.67 1.60 2r59A1 ARG 519 HD2 0.03 -0.08 0.03 -0.04 3.22 3.16 2r59A1 ARG 519 HD3 0.02 -0.05 -0.05 -0.04 3.22 3.10 2r59A1 MET 520 H -0.08 0.59 -0.15 -0.55 8.47 8.28 2r59A1 MET 520 HA -0.56 0.00 0.41 -0.75 4.52 3.62 2r59A1 MET 520 HB2 -0.54 0.17 0.11 -0.04 2.15 1.85 2r59A1 MET 520 HB3 0.09 0.05 0.05 -0.04 2.03 2.17 2r59A1 MET 520 HG2 -0.25 -0.09 -0.08 -0.04 2.63 2.16 2r59A1 MET 520 HG3 -1.04 0.00 -0.02 -0.04 2.56 1.45 2r59A1 MET 520 HE3 -0.88 0.02 -0.12 -0.04 2.10 1.09 2r59A1 GLN 521 H 0.15 0.58 -0.17 -0.55 8.47 8.48 2r59A1 GLN 521 HA -0.08 -0.22 0.49 -0.75 4.36 3.80 2r59A1 GLN 521 HB2 0.91 -0.01 0.08 -0.04 2.15 3.10 2r59A1 GLN 521 HB3 0.40 0.19 0.15 -0.04 2.02 2.72 2r59A1 GLN 521 HG2 0.58 0.01 -0.03 -0.04 2.40 2.92 2r59A1 GLN 521 HG3 0.29 0.08 -0.16 -0.04 2.39 2.56 2r59A1 GLN 521 HE21 0.07 -0.06 -0.03 -0.04 6.97 6.91 2r59A1 GLN 521 HE22 0.12 0.11 -0.07 -0.04 7.69 7.82 2r59A1 GLU 522 H -0.00 0.48 -0.27 -0.55 8.60 8.26 2r59A1 GLU 522 HA 0.03 -0.02 0.20 -0.75 4.29 3.74 2r59A1 GLU 522 HB2 0.03 -0.03 0.10 -0.04 2.09 2.14 2r59A1 GLU 522 HB3 -0.01 0.09 0.23 -0.04 1.99 2.26 2r59A1 GLU 522 HG2 -0.01 0.03 -0.17 -0.04 2.34 2.15 2r59A1 GLU 522 HG3 0.01 -0.05 0.04 -0.04 2.34 2.30 2r59A1 VAL 523 H -0.18 0.44 -0.23 -0.55 8.24 7.72 2r59A1 VAL 523 HA -0.07 0.14 0.54 -0.75 4.13 3.99 2r59A1 VAL 523 HB -0.12 -0.22 -0.11 -0.04 2.12 1.63 2r59A1 VAL 523 HG13 -0.03 0.06 -0.10 -0.04 0.97 0.86 2r59A1 VAL 523 HG23 -0.69 0.05 -0.18 -0.04 0.95 0.09 2r59A1 TYR 524 H -0.37 0.56 0.01 -0.55 8.29 7.94 2r59A1 TYR 524 HA -0.30 0.16 0.85 -0.75 4.56 4.51 2r59A1 TYR 524 HB2 -1.47 0.07 0.01 -0.04 3.06 1.63 2r59A1 TYR 524 HB3 -1.30 -0.05 0.01 -0.04 2.98 1.60 2r59A1 TYR 524 HD2 -0.49 0.04 -0.16 -0.04 7.15 6.50 2r59A1 TYR 524 HE2 -0.07 0.08 -0.16 -0.04 6.85 6.66 2r59A1 ASN 525 H -0.20 0.43 -0.03 -0.55 8.53 8.18 2r59A1 ASN 525 HA -0.07 0.08 0.37 -0.75 4.76 4.39 2r59A1 ASN 525 HB2 -0.04 0.11 -0.08 -0.04 2.88 2.83 2r59A1 ASN 525 HB3 -0.05 0.09 -0.03 -0.04 2.79 2.76 2r59A1 ASN 525 HD21 0.01 -0.01 -0.01 -0.04 7.03 6.98 2r59A1 ASN 525 HD22 -0.00 0.04 -0.01 -0.04 7.74 7.72 2r59A1 PHE 526 H -0.50 0.14 -0.11 -0.55 8.34 7.32 2r59A1 PHE 526 HA -0.35 0.13 0.28 -0.75 4.62 3.92 2r59A1 PHE 526 HB2 -2.31 -0.02 -0.04 -0.04 3.15 0.74 2r59A1 PHE 526 HB3 -1.48 0.02 -0.07 -0.04 3.06 1.50 2r59A1 PHE 526 HD2 -0.94 0.01 -0.10 -0.04 7.28 6.21 2r59A1 PHE 526 HE2 -0.08 0.01 -0.07 -0.04 7.38 7.19 2r59A1 PHE 526 HZ -0.21 -0.00 -0.07 -0.04 7.32 6.99 2r59A1 ASN 527 H 0.04 0.03 -0.30 -0.55 8.53 7.76 2r59A1 ASN 527 HA 0.31 0.08 0.27 -0.75 4.76 4.67 2r59A1 ASN 527 HB2 0.13 -0.03 -0.05 -0.04 2.88 2.89 2r59A1 ASN 527 HB3 0.12 0.06 -0.09 -0.04 2.79 2.84 2r59A1 ASN 527 HD21 0.07 -0.01 -0.07 -0.04 7.03 6.98 2r59A1 ASN 527 HD22 0.14 0.02 -0.06 -0.04 7.74 7.81 2r59A1 ALA 528 H 0.02 0.31 -0.51 -0.55 8.40 7.68 2r59A1 ALA 528 HA 0.03 0.10 0.53 -0.75 4.34 4.24 2r59A1 ALA 528 HB3 0.01 0.03 0.04 -0.04 1.41 1.44 2r59A1 ILE 529 H 0.02 0.44 -0.24 -0.55 8.25 7.92 2r59A1 ILE 529 HA 0.01 -0.04 0.47 -0.75 4.18 3.87 2r59A1 ILE 529 HB -0.02 0.18 0.11 -0.04 1.89 2.13 2r59A1 ILE 529 HG12 0.02 -0.04 0.01 -0.04 1.49 1.44 2r59A1 ILE 529 HG13 0.05 0.10 0.02 -0.04 1.21 1.34 2r59A1 ILE 529 HG23 -0.03 -0.04 -0.07 -0.04 0.93 0.75 2r59A1 ILE 529 HD13 0.08 -0.02 -0.02 -0.04 0.88 0.88 2r59A1 ASN 530 H 0.00 0.10 0.21 -0.55 8.53 8.29 2r59A1 ASN 530 HA 0.01 0.24 0.69 -0.75 4.76 4.94 2r59A1 ASN 530 HB2 0.00 -0.04 0.12 -0.04 2.88 2.92 2r59A1 ASN 530 HB3 0.01 -0.00 0.04 -0.04 2.79 2.79 2r59A1 ASN 530 HD21 0.00 0.02 0.02 -0.04 7.03 7.03 2r59A1 ASN 530 HD22 0.00 -0.05 0.05 -0.04 7.74 7.70 2r59A1 ASN 531 H -0.01 0.03 -0.02 -0.55 8.53 7.99 2r59A1 ASN 531 HA 0.00 0.03 0.41 -0.75 4.76 4.45 2r59A1 ASN 531 HB2 -0.01 0.07 0.13 -0.04 2.88 3.03 2r59A1 ASN 531 HB3 -0.03 0.01 0.09 -0.04 2.79 2.82 2r59A1 ASN 531 HD21 -0.04 -0.00 -0.07 -0.04 7.03 6.87 2r59A1 ASN 531 HD22 -0.02 0.04 0.01 -0.04 7.74 7.72 2r59A1 SER 532 H 0.02 0.18 0.20 -0.55 8.46 8.31 2r59A1 SER 532 HA -0.13 0.18 0.18 -0.75 4.49 3.96 2r59A1 SER 532 HB2 -0.18 0.01 0.04 -0.04 3.95 3.78 2r59A1 SER 532 HB3 0.02 0.11 0.15 -0.04 3.93 4.18 2r59A1 GLU 533 H 0.04 0.04 -0.17 -0.55 8.60 7.96 2r59A1 GLU 533 HA 0.09 0.14 0.38 -0.75 4.29 4.15 2r59A1 GLU 533 HB2 0.06 -0.08 0.00 -0.04 2.09 2.03 2r59A1 GLU 533 HB3 0.13 0.07 -0.06 -0.04 1.99 2.09 2r59A1 GLU 533 HG2 0.27 -0.04 -0.02 -0.04 2.34 2.50 2r59A1 GLU 533 HG3 0.12 -0.02 -0.02 -0.04 2.34 2.38 2r59A1 ILE 534 H -0.02 0.03 -0.24 -0.55 8.25 7.47 2r59A1 ILE 534 HA -0.05 0.06 0.41 -0.75 4.18 3.84 2r59A1 ILE 534 HB -0.06 0.07 0.02 -0.04 1.89 1.88 2r59A1 ILE 534 HG12 -0.08 0.02 -0.08 -0.04 1.49 1.30 2r59A1 ILE 534 HG13 -0.04 -0.11 -0.02 -0.04 1.21 0.99 2r59A1 ILE 534 HG23 -0.22 0.02 -0.18 -0.04 0.93 0.51 2r59A1 ILE 534 HD13 -0.05 0.02 0.02 -0.04 0.88 0.82 2r59A1 ARG 535 H -0.04 0.62 -0.23 -0.55 8.46 8.26 2r59A1 ARG 535 HA 0.10 0.03 0.32 -0.75 4.34 4.04 2r59A1 ARG 535 HB2 0.00 0.15 -0.14 -0.04 1.90 1.87 2r59A1 ARG 535 HB3 -0.06 -0.00 -0.06 -0.04 1.80 1.64 2r59A1 ARG 535 HG2 0.01 -0.04 -0.24 -0.04 1.67 1.35 2r59A1 ARG 535 HG3 0.13 -0.07 -0.03 -0.04 1.67 1.65 2r59A1 ARG 535 HD2 0.04 0.30 -0.03 -0.04 3.22 3.49 2r59A1 ARG 535 HD3 -0.01 -0.03 -0.10 -0.04 3.22 3.04 2r59A1 PHE 536 H -0.07 0.55 -0.21 -0.55 8.34 8.05 2r59A1 PHE 536 HA -0.20 0.03 0.37 -0.75 4.62 4.07 2r59A1 PHE 536 HB2 -0.86 -0.00 0.07 -0.04 3.15 2.31 2r59A1 PHE 536 HB3 -0.37 0.06 0.17 -0.04 3.06 2.88 2r59A1 PHE 536 HD2 -0.00 -0.02 -0.02 -0.04 7.28 7.20 2r59A1 PHE 536 HE2 0.06 -0.02 -0.03 -0.04 7.38 7.36 2r59A1 PHE 536 HZ 0.04 0.02 0.01 -0.04 7.32 7.36 2r59A1 ARG 537 H -0.04 0.47 -0.18 -0.55 8.46 8.15 2r59A1 ARG 537 HA -0.54 0.06 0.43 -0.75 4.34 3.55 2r59A1 ARG 537 HB2 -0.09 0.03 0.09 -0.04 1.90 1.88 2r59A1 ARG 537 HB3 -0.16 -0.02 -0.13 -0.04 1.80 1.45 2r59A1 ARG 537 HG2 -0.17 0.02 -0.03 -0.04 1.67 1.44 2r59A1 ARG 537 HG3 0.09 0.12 0.05 -0.04 1.67 1.89 2r59A1 ARG 537 HD2 0.00 -0.04 -0.04 -0.04 3.22 3.10 2r59A1 ARG 537 HD3 -0.06 -0.01 -0.11 -0.04 3.22 3.00 2r59A1 TRP 538 H 0.05 0.60 -0.12 -0.55 7.97 7.95 2r59A1 TRP 538 HA -0.18 -0.01 0.44 -0.75 4.62 4.12 2r59A1 TRP 538 HB2 -0.28 -0.03 0.04 -0.04 3.23 2.93 2r59A1 TRP 538 HB3 -0.13 0.18 0.10 -0.04 3.23 3.34 2r59A1 TRP 538 HD1 0.01 0.13 -0.22 -0.04 7.22 7.10 2r59A1 TRP 538 HE1 0.11 -0.03 -0.19 -0.04 10.20 10.05 2r59A1 TRP 538 HE3 -0.01 0.04 -0.01 -0.04 7.59 7.57 2r59A1 TRP 538 HZ2 0.41 -0.03 -0.07 -0.04 7.44 7.71 2r59A1 TRP 538 HZ3 0.06 0.03 -0.07 -0.04 7.13 7.11 2r59A1 TRP 538 HH2 0.12 0.17 -0.01 -0.04 7.19 7.42 2r59A1 LEU 539 H -0.07 0.76 -0.14 -0.55 8.37 8.37 2r59A1 LEU 539 HA -0.49 -0.04 0.42 -0.75 4.35 3.48 2r59A1 LEU 539 HB2 -0.14 0.13 0.06 -0.04 1.64 1.65 2r59A1 LEU 539 HB3 -0.18 -0.07 -0.02 -0.04 1.64 1.33 2r59A1 LEU 539 HG -0.00 0.18 -0.00 -0.04 1.64 1.78 2r59A1 LEU 539 HD13 -0.04 -0.01 -0.22 -0.04 0.93 0.61 2r59A1 LEU 539 HD23 -0.19 -0.03 -0.09 -0.04 0.89 0.54 2r59A1 ARG 540 H -0.34 0.56 -0.20 -0.55 8.46 7.93 2r59A1 ARG 540 HA -0.23 0.02 0.44 -0.75 4.34 3.82 2r59A1 ARG 540 HB2 -0.41 0.09 0.10 -0.04 1.90 1.64 2r59A1 ARG 540 HB3 -0.27 -0.01 -0.05 -0.04 1.80 1.44 2r59A1 ARG 540 HG2 -0.27 -0.03 -0.07 -0.04 1.67 1.26 2r59A1 ARG 540 HG3 -0.82 0.18 -0.01 -0.04 1.67 0.99 2r59A1 ARG 540 HD2 -0.55 -0.01 -0.10 -0.04 3.22 2.51 2r59A1 ARG 540 HD3 -0.55 -0.02 -0.06 -0.04 3.22 2.54 2r59A1 LEU 541 H -0.27 0.53 -0.24 -0.55 8.37 7.85 2r59A1 LEU 541 HA -0.19 0.05 0.36 -0.75 4.35 3.82 2r59A1 LEU 541 HB2 -0.14 0.05 0.09 -0.04 1.64 1.60 2r59A1 LEU 541 HB3 -0.17 0.09 0.18 -0.04 1.64 1.70 2r59A1 LEU 541 HG -0.15 -0.05 -0.22 -0.04 1.64 1.17 2r59A1 LEU 541 HD13 -0.12 -0.00 -0.09 -0.04 0.93 0.67 2r59A1 LEU 541 HD23 0.06 -0.02 -0.08 -0.04 0.89 0.81 2r59A1 CYS 542 H -0.48 0.50 -0.25 -0.55 8.50 7.73 2r59A1 CYS 542 HA -0.24 -0.01 0.26 -0.75 4.58 3.83 2r59A1 CYS 542 HB2 -0.46 0.17 0.14 -0.04 2.97 2.77 2r59A1 CYS 542 HB3 -0.15 -0.11 -0.05 -0.04 2.97 2.61 2r59A1 ILE 543 H -0.24 0.63 -0.11 -0.55 8.25 7.98 2r59A1 ILE 543 HA -0.19 -0.04 0.46 -0.75 4.18 3.66 2r59A1 ILE 543 HB -0.15 0.10 0.10 -0.04 1.89 1.90 2r59A1 ILE 543 HG12 -0.15 0.16 0.01 -0.04 1.49 1.46 2r59A1 ILE 543 HG13 -0.08 -0.00 -0.09 -0.04 1.21 1.00 2r59A1 ILE 543 HG23 -0.01 -0.02 -0.35 -0.04 0.93 0.52 2r59A1 ILE 543 HD13 0.04 -0.01 -0.26 -0.04 0.88 0.61 2r59A1 GLN 544 H -0.20 0.73 -0.04 -0.55 8.47 8.41 2r59A1 GLN 544 HA -0.19 0.08 0.56 -0.75 4.36 4.05 2r59A1 GLN 544 HB2 -0.16 0.06 0.09 -0.04 2.15 2.10 2r59A1 GLN 544 HB3 -0.13 -0.00 -0.03 -0.04 2.02 1.81 2r59A1 GLN 544 HG2 -0.11 -0.02 0.02 -0.04 2.40 2.25 2r59A1 GLN 544 HG3 -0.14 0.02 0.07 -0.04 2.39 2.30 2r59A1 GLN 544 HE21 -0.12 -0.01 -0.06 -0.04 6.97 6.75 2r59A1 GLN 544 HE22 -0.12 -0.05 -0.03 -0.04 7.69 7.45 2r59A1 SER 545 H -0.21 0.41 -0.39 -0.55 8.46 7.73 2r59A1 SER 545 HA -0.16 0.12 0.74 -0.75 4.49 4.44 2r59A1 SER 545 HB2 -0.15 -0.02 0.09 -0.04 3.95 3.82 2r59A1 SER 545 HB3 -0.14 0.07 0.10 -0.04 3.93 3.92 2r59A1 LYS 546 H -0.42 0.38 -0.57 -0.55 8.42 7.25 2r59A1 LYS 546 HA -1.33 0.12 0.29 -0.75 4.32 2.65 2r59A1 LYS 546 HB2 -0.11 0.06 0.18 -0.04 1.87 1.95 2r59A1 LYS 546 HB3 -0.13 -0.14 0.19 -0.04 1.79 1.66 2r59A1 LYS 546 HG2 -0.22 0.09 -0.41 -0.04 1.46 0.88 2r59A1 LYS 546 HG3 -0.09 -0.08 -0.04 -0.04 1.46 1.22 2r59A1 LYS 546 HD2 -0.13 -0.18 0.06 -0.04 1.69 1.40 2r59A1 LYS 546 HD3 -0.75 0.18 0.03 -0.04 1.68 1.10 2r59A1 LYS 546 HE2 -0.13 0.17 0.04 -0.04 2.99 3.03 2r59A1 LYS 546 HE3 -0.03 -0.09 0.04 -0.04 2.99 2.87 2r59A1 TRP 547 H -0.01 0.63 0.01 -0.55 7.97 8.06 2r59A1 TRP 547 HA -0.02 0.09 0.80 -0.75 4.62 4.74 2r59A1 TRP 547 HB2 -0.14 0.12 0.01 -0.04 3.23 3.18 2r59A1 TRP 547 HB3 -0.16 -0.04 0.07 -0.04 3.23 3.06 2r59A1 TRP 547 HD1 0.01 0.00 0.09 -0.04 7.22 7.28 2r59A1 TRP 547 HE1 0.02 0.03 -0.00 -0.04 10.20 10.21 2r59A1 TRP 547 HE3 -0.27 0.03 -0.09 -0.04 7.59 7.23 2r59A1 TRP 547 HZ2 0.05 0.03 -0.02 -0.04 7.44 7.45 2r59A1 TRP 547 HZ3 0.27 -0.00 -0.09 -0.04 7.13 7.27 2r59A1 TRP 547 HH2 0.15 0.01 -0.02 -0.04 7.19 7.29 2r59A1 GLU 548 H 0.35 0.26 0.14 -0.55 8.60 8.81 2r59A1 GLU 548 HA 0.20 0.10 0.28 -0.75 4.29 4.11 2r59A1 GLU 548 HB2 0.13 -0.02 0.12 -0.04 2.09 2.28 2r59A1 GLU 548 HB3 0.02 0.04 0.02 -0.04 1.99 2.03 2r59A1 GLU 548 HG2 0.01 0.00 0.01 -0.04 2.34 2.32 2r59A1 GLU 548 HG3 0.33 0.09 0.04 -0.04 2.34 2.75 2r59A1 ASP 549 H -0.40 0.09 -0.21 -0.55 8.40 7.34 2r59A1 ASP 549 HA -0.26 0.09 0.34 -0.75 4.63 4.05 2r59A1 ASP 549 HB2 -1.91 -0.02 -0.03 -0.04 2.71 0.70 2r59A1 ASP 549 HB3 -0.69 0.04 -0.03 -0.04 2.70 1.98 2r59A1 ALA 550 H -0.47 0.34 -0.50 -0.55 8.40 7.22 2r59A1 ALA 550 HA -0.35 0.06 0.42 -0.75 4.34 3.71 2r59A1 ALA 550 HB3 -0.30 0.05 -0.03 -0.04 1.41 1.09 2r59A1 ILE 551 H -0.11 0.41 -0.35 -0.55 8.25 7.66 2r59A1 ILE 551 HA -0.04 0.03 0.35 -0.75 4.18 3.76 2r59A1 ILE 551 HB -0.06 0.18 0.12 -0.04 1.89 2.09 2r59A1 ILE 551 HG12 0.04 -0.01 -0.03 -0.04 1.49 1.45 2r59A1 ILE 551 HG13 0.13 -0.02 0.00 -0.04 1.21 1.28 2r59A1 ILE 551 HG23 -0.06 -0.01 -0.17 -0.04 0.93 0.65 2r59A1 ILE 551 HD13 -0.20 -0.00 -0.11 -0.04 0.88 0.53 2r59A1 PRO 552 HA -0.07 0.08 0.47 -0.51 4.44 4.41 2r59A1 PRO 552 HB2 -0.06 0.03 -0.04 -0.04 2.28 2.17 2r59A1 PRO 552 HB3 -0.06 0.02 0.06 -0.04 2.02 2.01 2r59A1 PRO 552 HG2 -0.12 0.09 0.04 -0.04 2.03 2.01 2r59A1 PRO 552 HG3 -0.09 0.01 0.04 -0.04 2.03 1.96 2r59A1 PRO 552 HD2 -0.14 0.17 -0.23 -0.04 3.68 3.44 2r59A1 PRO 552 HD3 -0.09 0.10 0.06 -0.04 3.65 3.69 2r59A1 LEU 553 H -0.12 0.24 -0.36 -0.55 8.37 7.58 2r59A1 LEU 553 HA -0.06 0.06 0.38 -0.75 4.35 3.97 2r59A1 LEU 553 HB2 -0.13 0.11 0.08 -0.04 1.64 1.66 2r59A1 LEU 553 HB3 -0.06 0.00 -0.02 -0.04 1.64 1.53 2r59A1 LEU 553 HG -0.15 0.10 0.06 -0.04 1.64 1.60 2r59A1 LEU 553 HD13 -0.05 -0.01 -0.04 -0.04 0.93 0.79 2r59A1 LEU 553 HD23 -0.06 -0.01 -0.06 -0.04 0.89 0.72 2r59A1 ALA 554 H -0.12 0.62 -0.07 -0.55 8.40 8.28 2r59A1 ALA 554 HA -0.10 0.02 0.45 -0.75 4.34 3.96 2r59A1 ALA 554 HB3 -0.11 0.02 0.04 -0.04 1.41 1.31 2r59A1 LEU 555 H -0.11 0.49 -0.17 -0.55 8.37 8.03 2r59A1 LEU 555 HA -0.26 0.06 0.28 -0.75 4.35 3.68 2r59A1 LEU 555 HB2 -0.09 0.04 0.11 -0.04 1.64 1.66 2r59A1 LEU 555 HB3 -0.10 -0.01 -0.11 -0.04 1.64 1.37 2r59A1 LEU 555 HG -0.11 0.02 -0.04 -0.04 1.64 1.47 2r59A1 LEU 555 HD13 -0.05 -0.03 -0.14 -0.04 0.93 0.67 2r59A1 LEU 555 HD23 -0.12 -0.00 -0.11 -0.04 0.89 0.61 2r59A1 LYS 556 H -0.09 0.45 -0.29 -0.55 8.42 7.94 2r59A1 LYS 556 HA -0.06 0.02 0.38 -0.75 4.32 3.91 2r59A1 LYS 556 HB2 -0.04 0.04 0.12 -0.04 1.87 1.95 2r59A1 LYS 556 HB3 -0.05 0.11 0.18 -0.04 1.79 2.00 2r59A1 LYS 556 HG2 -0.02 -0.00 -0.22 -0.04 1.46 1.17 2r59A1 LYS 556 HG3 -0.02 -0.04 -0.02 -0.04 1.46 1.35 2r59A1 LYS 556 HD2 -0.02 -0.03 -0.03 -0.04 1.69 1.58 2r59A1 LYS 556 HD3 -0.03 0.01 -0.02 -0.04 1.68 1.60 2r59A1 LYS 556 HE2 -0.01 -0.03 -0.04 -0.04 2.99 2.87 2r59A1 LYS 556 HE3 -0.01 0.01 -0.06 -0.04 2.99 2.89 2r59A1 MET 557 H -0.07 0.54 -0.15 -0.55 8.47 8.25 2r59A1 MET 557 HA -0.03 0.01 0.39 -0.75 4.52 4.14 2r59A1 MET 557 HB2 -0.04 0.01 0.04 -0.04 2.15 2.12 2r59A1 MET 557 HB3 -0.05 0.09 0.04 -0.04 2.03 2.07 2r59A1 MET 557 HG2 -0.02 0.01 -0.29 -0.04 2.63 2.29 2r59A1 MET 557 HG3 -0.04 -0.06 -0.03 -0.04 2.56 2.40 2r59A1 MET 557 HE3 -0.49 -0.00 -0.03 -0.04 2.10 1.54 2r59A1 ALA 558 H -0.14 0.47 -0.34 -0.55 8.40 7.84 2r59A1 ALA 558 HA -0.05 -0.05 0.29 -0.75 4.34 3.78 2r59A1 ALA 558 HB3 -0.47 0.01 0.04 -0.04 1.41 0.94 2r59A1 THR 559 H -0.11 0.25 -0.43 -0.55 8.28 7.43 2r59A1 THR 559 HA -0.01 0.19 0.74 -0.75 4.39 4.55 2r59A1 THR 559 HB -0.49 -0.06 -0.03 -0.04 4.32 3.71 2r59A1 THR 559 HG23 -0.25 -0.00 -0.12 -0.04 1.22 0.80 2r59A1 GLU 560 H -0.02 0.55 0.06 -0.55 8.60 8.64 2r59A1 GLU 560 HA 0.04 0.06 0.54 -0.75 4.29 4.18 2r59A1 GLU 560 HB2 0.02 -0.09 0.08 -0.04 2.09 2.06 2r59A1 GLU 560 HB3 0.01 0.01 0.10 -0.04 1.99 2.06 2r59A1 GLU 560 HG2 -0.00 0.16 0.07 -0.04 2.34 2.53 2r59A1 GLU 560 HG3 0.02 -0.08 -0.35 -0.04 2.34 1.89 2r59A1 GLN 561 H 0.03 0.39 -0.27 -0.55 8.47 8.08 2r59A1 GLN 561 HA 0.06 0.06 0.35 -0.75 4.36 4.07 2r59A1 GLN 561 HB2 0.08 -0.10 0.15 -0.04 2.15 2.24 2r59A1 GLN 561 HB3 0.06 0.01 -0.00 -0.04 2.02 2.05 2r59A1 GLN 561 HG2 0.10 -0.11 -0.05 -0.04 2.40 2.30 2r59A1 GLN 561 HG3 0.05 0.24 -0.02 -0.04 2.39 2.62 2r59A1 GLN 561 HE21 0.13 -0.16 -0.18 -0.04 6.97 6.72 2r59A1 GLN 561 HE22 0.07 0.55 -0.08 -0.04 7.69 8.18 2r59A1 GLY 562 H 0.04 0.66 0.17 -0.55 8.43 8.75 2r59A1 GLY 562 HA2 0.05 0.28 0.79 -0.51 4.01 4.62 2r59A1 GLY 562 HA3 0.04 -0.02 0.21 -0.51 4.01 3.73 2r59A1 ARG 563 H 0.00 0.04 -0.04 -0.55 8.46 7.90 2r59A1 ARG 563 HA -0.25 0.25 0.41 -0.75 4.34 4.00 2r59A1 ARG 563 HB2 -0.11 0.07 0.02 -0.04 1.90 1.84 2r59A1 ARG 563 HB3 -0.21 -0.07 0.07 -0.04 1.80 1.55 2r59A1 ARG 563 HG2 -0.55 -0.21 -0.18 -0.04 1.67 0.69 2r59A1 ARG 563 HG3 -0.29 0.04 -0.30 -0.04 1.67 1.09 2r59A1 ARG 563 HD2 -0.22 0.01 -0.11 -0.04 3.22 2.86 2r59A1 ARG 563 HD3 -1.20 -0.00 -0.11 -0.04 3.22 1.87 2r59A1 MET 564 H -0.36 0.74 0.39 -0.55 8.47 8.70 2r59A1 MET 564 HA -0.12 0.05 0.22 -0.75 4.52 3.91 2r59A1 MET 564 HB2 -0.28 -0.01 0.14 -0.04 2.15 1.96 2r59A1 MET 564 HB3 -0.14 0.01 0.05 -0.04 2.03 1.91 2r59A1 MET 564 HG2 -0.20 0.04 0.11 -0.04 2.63 2.55 2r59A1 MET 564 HG3 -0.48 0.10 0.24 -0.04 2.56 2.38 2r59A1 MET 564 HE3 -0.47 -0.01 -0.03 -0.04 2.10 1.55 2r59A1 LYS 565 H -0.33 0.07 -0.21 -0.55 8.42 7.40 2r59A1 LYS 565 HA -0.21 0.09 0.36 -0.75 4.32 3.81 2r59A1 LYS 565 HB2 -0.36 -0.04 0.05 -0.04 1.87 1.47 2r59A1 LYS 565 HB3 -0.87 -0.05 -0.08 -0.04 1.79 0.74 2r59A1 LYS 565 HG2 -0.59 0.06 -0.26 -0.04 1.46 0.63 2r59A1 LYS 565 HG3 -0.26 0.02 -0.00 -0.04 1.46 1.18 2r59A1 LYS 565 HD2 -0.36 -0.05 -0.04 -0.04 1.69 1.19 2r59A1 LYS 565 HD3 -0.76 -0.03 -0.11 -0.04 1.68 0.75 2r59A1 LYS 565 HE2 0.01 0.03 -0.07 -0.04 2.99 2.92 2r59A1 LYS 565 HE3 -0.11 0.03 -0.04 -0.04 2.99 2.83 2r59A1 PHE 566 H -0.34 0.34 -0.44 -0.55 8.34 7.34 2r59A1 PHE 566 HA -0.99 0.14 0.71 -0.75 4.62 3.73 2r59A1 PHE 566 HB2 -0.18 0.09 0.01 -0.04 3.15 3.03 2r59A1 PHE 566 HB3 -0.16 0.03 -0.10 -0.04 3.06 2.78 2r59A1 PHE 566 HD2 -1.06 0.09 -0.17 -0.04 7.28 6.10 2r59A1 PHE 566 HE2 -0.20 -0.03 -0.12 -0.04 7.38 7.00 2r59A1 PHE 566 HZ -0.07 -0.12 -0.21 -0.04 7.32 6.87 2r59A1 THR 567 H 0.02 0.53 0.02 -0.55 8.28 8.30 2r59A1 THR 567 HA 0.09 0.03 0.34 -0.75 4.39 4.10 2r59A1 THR 567 HB 0.04 -0.07 -0.10 -0.04 4.32 4.15 2r59A1 THR 567 HG23 0.26 0.01 -0.07 -0.04 1.22 1.37 2r59A1 ARG 568 H 0.02 0.47 -0.09 -0.55 8.46 8.30 2r59A1 ARG 568 HA 0.11 0.05 0.32 -0.75 4.34 4.06 2r59A1 ARG 568 HB2 -0.00 0.18 0.09 -0.04 1.90 2.12 2r59A1 ARG 568 HB3 0.01 -0.01 -0.09 -0.04 1.80 1.68 2r59A1 ARG 568 HG2 -0.03 -0.01 -0.08 -0.04 1.67 1.51 2r59A1 ARG 568 HG3 -0.03 -0.07 0.02 -0.04 1.67 1.56 2r59A1 ARG 568 HD2 -0.04 -0.07 -0.05 -0.04 3.22 3.02 2r59A1 ARG 568 HD3 -0.02 0.00 -0.05 -0.04 3.22 3.11 2r59A1 PRO 569 HA 0.07 0.06 0.57 -0.51 4.44 4.64 2r59A1 PRO 569 HB2 0.41 0.04 -0.05 -0.04 2.28 2.63 2r59A1 PRO 569 HB3 0.13 0.01 0.04 -0.04 2.02 2.16 2r59A1 PRO 569 HG2 0.25 0.17 0.07 -0.04 2.03 2.48 2r59A1 PRO 569 HG3 0.08 -0.01 0.01 -0.04 2.03 2.07 2r59A1 PRO 569 HD2 0.12 0.15 -0.42 -0.04 3.68 3.49 2r59A1 PRO 569 HD3 0.03 0.14 0.01 -0.04 3.65 3.78 2r59A1 LEU 570 H 0.19 0.55 -0.27 -0.55 8.37 8.30 2r59A1 LEU 570 HA 0.01 -0.02 0.45 -0.75 4.35 4.04 2r59A1 LEU 570 HB2 -0.02 0.11 0.08 -0.04 1.64 1.77 2r59A1 LEU 570 HB3 -0.11 -0.03 -0.04 -0.04 1.64 1.41 2r59A1 LEU 570 HG 0.35 0.10 0.02 -0.04 1.64 2.06 2r59A1 LEU 570 HD13 0.07 -0.01 -0.20 -0.04 0.93 0.75 2r59A1 LEU 570 HD23 -0.03 -0.03 -0.05 -0.04 0.89 0.74 2r59A1 PHE 571 H 0.15 0.68 -0.08 -0.55 8.34 8.53 2r59A1 PHE 571 HA -0.01 -0.03 0.37 -0.75 4.62 4.20 2r59A1 PHE 571 HB2 -0.04 0.20 0.17 -0.04 3.15 3.45 2r59A1 PHE 571 HB3 -0.07 -0.01 -0.10 -0.04 3.06 2.84 2r59A1 PHE 571 HD2 -0.02 0.04 -0.03 -0.04 7.28 7.23 2r59A1 PHE 571 HE2 0.03 0.09 -0.05 -0.04 7.38 7.42 2r59A1 PHE 571 HZ 0.01 0.00 -0.21 -0.04 7.32 7.08 2r59A1 LYS 572 H 0.12 0.49 -0.21 -0.55 8.42 8.27 2r59A1 LYS 572 HA 0.07 0.07 0.36 -0.75 4.32 4.06 2r59A1 LYS 572 HB2 0.04 0.09 0.09 -0.04 1.87 2.05 2r59A1 LYS 572 HB3 0.03 0.00 0.11 -0.04 1.79 1.89 2r59A1 LYS 572 HG2 0.01 -0.03 -0.11 -0.04 1.46 1.29 2r59A1 LYS 572 HG3 0.02 0.04 0.03 -0.04 1.46 1.51 2r59A1 LYS 572 HD2 -0.00 -0.01 -0.02 -0.04 1.69 1.61 2r59A1 LYS 572 HD3 -0.02 -0.04 -0.02 -0.04 1.68 1.56 2r59A1 LYS 572 HE2 0.00 -0.00 0.01 -0.04 2.99 2.96 2r59A1 LYS 572 HE3 -0.00 0.08 0.05 -0.04 2.99 3.08 2r59A1 ASP 573 H 0.03 0.65 -0.12 -0.55 8.40 8.42 2r59A1 ASP 573 HA 0.01 0.04 0.44 -0.75 4.63 4.36 2r59A1 ASP 573 HB2 -0.03 0.11 0.17 -0.04 2.71 2.93 2r59A1 ASP 573 HB3 -0.05 -0.11 -0.05 -0.04 2.70 2.44 2r59A1 LEU 574 H 0.02 0.64 -0.16 -0.55 8.37 8.33 2r59A1 LEU 574 HA 0.11 -0.07 0.44 -0.75 4.35 4.08 2r59A1 LEU 574 HB2 0.00 0.15 0.09 -0.04 1.64 1.84 2r59A1 LEU 574 HB3 0.00 -0.08 -0.06 -0.04 1.64 1.47 2r59A1 LEU 574 HG -0.06 0.08 -0.00 -0.04 1.64 1.62 2r59A1 LEU 574 HD13 -0.24 -0.03 -0.28 -0.04 0.93 0.34 2r59A1 LEU 574 HD23 -0.01 -0.04 -0.03 -0.04 0.89 0.77 2r59A1 ALA 575 H 0.10 0.63 -0.18 -0.55 8.40 8.41 2r59A1 ALA 575 HA 0.13 -0.06 0.59 -0.75 4.34 4.25 2r59A1 ALA 575 HB3 0.12 0.03 0.07 -0.04 1.41 1.58 2r59A1 ALA 576 H 0.11 0.41 -0.28 -0.55 8.40 8.09 2r59A1 ALA 576 HA 0.08 0.06 0.60 -0.75 4.34 4.33 2r59A1 ALA 576 HB3 0.04 -0.01 0.08 -0.04 1.41 1.49 2r59A1 PHE 577 H 0.22 0.34 -0.33 -0.55 8.34 8.02 2r59A1 PHE 577 HA 0.00 0.07 0.75 -0.75 4.62 4.69 2r59A1 PHE 577 HB2 -0.01 0.19 0.06 -0.04 3.15 3.34 2r59A1 PHE 577 HB3 0.00 0.01 0.16 -0.04 3.06 3.19 2r59A1 PHE 577 HD2 -0.01 0.02 0.04 -0.04 7.28 7.29 2r59A1 PHE 577 HE2 0.00 0.00 -0.16 -0.04 7.38 7.18 2r59A1 PHE 577 HZ 0.03 0.05 -0.15 -0.04 7.32 7.21 2r59A1 ASP 578 H 0.23 0.22 0.13 -0.55 8.40 8.43 2r59A1 ASP 578 HA 0.01 0.13 0.37 -0.75 4.63 4.37 2r59A1 ASP 578 HB2 -0.02 -0.01 0.08 -0.04 2.71 2.72 2r59A1 ASP 578 HB3 0.02 0.09 0.13 -0.04 2.70 2.90 2r59A1 LYS 579 H -0.67 0.09 -0.19 -0.55 8.42 7.09 2r59A1 LYS 579 HA -0.24 0.07 0.40 -0.75 4.32 3.79 2r59A1 LYS 579 HB2 -1.56 0.01 -0.00 -0.04 1.87 0.28 2r59A1 LYS 579 HB3 -0.41 -0.00 0.02 -0.04 1.79 1.36 2r59A1 LYS 579 HG2 -0.24 -0.03 0.05 -0.04 1.46 1.20 2r59A1 LYS 579 HG3 -0.15 0.01 0.03 -0.04 1.46 1.31 2r59A1 LYS 579 HD2 -0.08 -0.02 0.04 -0.04 1.69 1.59 2r59A1 LYS 579 HD3 -0.13 0.03 0.05 -0.04 1.68 1.59 2r59A1 LYS 579 HE2 -0.02 0.00 0.01 -0.04 2.99 2.94 2r59A1 LYS 579 HE3 -0.03 -0.00 -0.00 -0.04 2.99 2.92 2r59A1 SER 580 H -0.42 0.37 -0.28 -0.55 8.46 7.58 2r59A1 SER 580 HA -0.12 0.12 0.97 -0.75 4.49 4.70 2r59A1 SER 580 HB2 -0.04 -0.06 0.09 -0.04 3.95 3.89 2r59A1 SER 580 HB3 -0.12 -0.09 -0.03 -0.04 3.93 3.65 2r59A1 HIS 581 H 0.03 0.34 -0.05 -0.55 8.41 8.19 2r59A1 HIS 581 HA 0.02 0.13 0.37 -0.75 4.63 4.40 2r59A1 HIS 581 HB2 0.00 0.21 0.06 -0.04 3.26 3.49 2r59A1 HIS 581 HB3 -0.02 -0.11 0.16 -0.04 3.20 3.19 2r59A1 HIS 581 HD2 0.01 -0.10 -0.14 -0.04 6.97 6.69 2r59A1 HIS 581 HE1 0.02 0.09 0.03 -0.04 7.75 7.84 2r59A1 ASP 582 H 0.07 0.18 -0.09 -0.55 8.40 8.02 2r59A1 ASP 582 HA -0.03 0.08 0.47 -0.75 4.63 4.40 2r59A1 ASP 582 HB2 0.01 -0.00 0.05 -0.04 2.71 2.73 2r59A1 ASP 582 HB3 0.01 -0.01 0.01 -0.04 2.70 2.67 2r59A1 GLN 583 H -0.02 0.12 -0.30 -0.55 8.47 7.73 2r59A1 GLN 583 HA 0.00 0.01 0.37 -0.75 4.36 3.99 2r59A1 GLN 583 HB2 -0.03 0.13 0.02 -0.04 2.15 2.23 2r59A1 GLN 583 HB3 -0.01 -0.03 -0.00 -0.04 2.02 1.93 2r59A1 GLN 583 HG2 -0.02 -0.03 0.00 -0.04 2.40 2.31 2r59A1 GLN 583 HG3 -0.03 -0.04 0.05 -0.04 2.39 2.33 2r59A1 GLN 583 HE21 -0.05 -0.03 -0.05 -0.04 6.97 6.80 2r59A1 GLN 583 HE22 -0.03 -0.01 -0.04 -0.04 7.69 7.57 2r59A1 ALA 584 H -0.02 0.76 -0.14 -0.55 8.40 8.46 2r59A1 ALA 584 HA 0.14 -0.02 0.43 -0.75 4.34 4.13 2r59A1 ALA 584 HB3 0.08 0.04 -0.07 -0.04 1.41 1.42 2r59A1 VAL 585 H -0.11 0.64 -0.02 -0.55 8.24 8.20 2r59A1 VAL 585 HA 0.04 0.03 0.42 -0.75 4.13 3.87 2r59A1 VAL 585 HB -0.11 0.05 0.17 -0.04 2.12 2.19 2r59A1 VAL 585 HG13 0.02 -0.02 -0.10 -0.04 0.97 0.82 2r59A1 VAL 585 HG23 -0.27 0.04 0.05 -0.04 0.95 0.72 2r59A1 ARG 586 H 0.01 0.66 -0.08 -0.55 8.46 8.50 2r59A1 ARG 586 HA 0.03 -0.01 0.42 -0.75 4.34 4.02 2r59A1 ARG 586 HB2 0.03 0.10 0.13 -0.04 1.90 2.11 2r59A1 ARG 586 HB3 0.03 -0.06 -0.02 -0.04 1.80 1.71 2r59A1 ARG 586 HG2 0.01 -0.05 0.02 -0.04 1.67 1.62 2r59A1 ARG 586 HG3 0.01 0.12 0.05 -0.04 1.67 1.81 2r59A1 ARG 586 HD2 0.01 -0.02 -0.02 -0.04 3.22 3.15 2r59A1 ARG 586 HD3 0.01 -0.04 -0.02 -0.04 3.22 3.13 2r59A1 THR 587 H 0.12 0.56 -0.30 -0.55 8.28 8.12 2r59A1 THR 587 HA 0.16 -0.03 0.37 -0.75 4.39 4.14 2r59A1 THR 587 HB 0.24 0.10 0.12 -0.04 4.32 4.75 2r59A1 THR 587 HG23 0.03 -0.02 -0.08 -0.04 1.22 1.10 2r59A1 TYR 588 H 0.28 0.66 -0.09 -0.55 8.29 8.60 2r59A1 TYR 588 HA -0.06 0.02 0.44 -0.75 4.56 4.20 2r59A1 TYR 588 HB2 -0.66 0.01 0.04 -0.04 3.06 2.41 2r59A1 TYR 588 HB3 -0.15 0.14 0.15 -0.04 2.98 3.08 2r59A1 TYR 588 HD2 -0.24 0.02 -0.06 -0.04 7.15 6.83 2r59A1 TYR 588 HE2 -0.10 -0.03 -0.06 -0.04 6.85 6.62 2r59A1 GLN 589 H 0.00 0.59 -0.12 -0.55 8.47 8.39 2r59A1 GLN 589 HA -0.35 -0.03 0.29 -0.75 4.36 3.52 2r59A1 GLN 589 HB2 -0.03 0.14 0.15 -0.04 2.15 2.38 2r59A1 GLN 589 HB3 -0.07 -0.07 -0.00 -0.04 2.02 1.84 2r59A1 GLN 589 HG2 0.02 0.23 0.06 -0.04 2.40 2.67 2r59A1 GLN 589 HG3 -0.00 -0.06 -0.02 -0.04 2.39 2.26 2r59A1 GLN 589 HE21 -0.00 -0.07 0.00 -0.04 6.97 6.86 2r59A1 GLN 589 HE22 0.00 0.01 -0.01 -0.04 7.69 7.65 2r59A1 GLU 590 H 0.02 0.48 -0.25 -0.55 8.60 8.30 2r59A1 GLU 590 HA -0.05 -0.01 0.38 -0.75 4.29 3.85 2r59A1 GLU 590 HB2 0.15 0.13 0.13 -0.04 2.09 2.45 2r59A1 GLU 590 HB3 -0.04 -0.07 -0.00 -0.04 1.99 1.83 2r59A1 GLU 590 HG2 -0.01 -0.08 0.02 -0.04 2.34 2.22 2r59A1 GLU 590 HG3 0.02 0.19 0.08 -0.04 2.34 2.59 2r59A1 HIS 591 H 0.14 0.51 -0.16 -0.55 8.41 8.35 2r59A1 HIS 591 HA -0.01 0.08 0.58 -0.75 4.63 4.53 2r59A1 HIS 591 HB2 0.09 0.14 0.07 -0.04 3.26 3.53 2r59A1 HIS 591 HB3 0.07 -0.04 -0.02 -0.04 3.20 3.16 2r59A1 HIS 591 HD2 0.06 0.05 -0.04 -0.04 6.97 6.99 2r59A1 HIS 591 HE1 0.03 -0.07 -0.06 -0.04 7.75 7.61 2r59A1 LYS 592 H -0.18 0.48 -0.21 -0.55 8.42 7.96 2r59A1 LYS 592 HA -0.09 -0.03 0.21 -0.75 4.32 3.65 2r59A1 LYS 592 HB2 -0.74 -0.06 0.04 -0.04 1.87 1.07 2r59A1 LYS 592 HB3 -0.51 0.24 0.14 -0.04 1.79 1.61 2r59A1 LYS 592 HG2 -0.19 0.01 -0.01 -0.04 1.46 1.22 2r59A1 LYS 592 HG3 -0.12 0.01 -0.37 -0.04 1.46 0.94 2r59A1 LYS 592 HD2 -0.09 -0.05 -0.08 -0.04 1.69 1.44 2r59A1 LYS 592 HD3 -0.12 -0.01 -0.07 -0.04 1.68 1.43 2r59A1 LYS 592 HE2 -0.13 -0.02 -0.09 -0.04 2.99 2.70 2r59A1 LYS 592 HE3 -0.73 0.08 -0.09 -0.04 2.99 2.21 2r59A1 ALA 593 H -0.08 0.18 -0.21 -0.55 8.40 7.74 2r59A1 ALA 593 HA -0.03 0.04 0.33 -0.75 4.34 3.92 2r59A1 ALA 593 HB3 -0.04 -0.01 0.05 -0.04 1.41 1.37 2r59A1 SER 594 H -0.00 0.36 -0.22 -0.55 8.46 8.05 2r59A1 SER 594 HA 0.03 0.21 1.01 -0.75 4.49 4.99 2r59A1 SER 594 HB2 0.04 -0.09 0.18 -0.04 3.95 4.04 2r59A1 SER 594 HB3 0.00 -0.09 0.04 -0.04 3.93 3.84 2r59A1 MET 595 H 0.04 0.43 -0.25 -0.55 8.47 8.15 2r59A1 MET 595 HA 0.11 0.06 0.60 -0.75 4.52 4.53 2r59A1 MET 595 HB2 0.07 0.18 0.06 -0.04 2.15 2.42 2r59A1 MET 595 HB3 0.10 -0.13 0.05 -0.04 2.03 2.01 2r59A1 MET 595 HG2 0.14 -0.00 -0.06 -0.04 2.63 2.67 2r59A1 MET 595 HG3 0.14 0.12 -0.23 -0.04 2.56 2.55 2r59A1 MET 595 HE3 0.11 -0.02 -0.20 -0.04 2.10 1.95 2r59A1 HIS 596 H 0.18 0.09 0.13 -0.55 8.41 8.26 2r59A1 HIS 596 HA -0.01 0.22 0.58 -0.75 4.63 4.67 2r59A1 HIS 596 HB2 0.07 0.16 0.13 -0.04 3.26 3.59 2r59A1 HIS 596 HB3 -0.02 -0.18 0.17 -0.04 3.20 3.14 2r59A1 HIS 596 HD2 0.08 0.01 -0.07 -0.04 6.97 6.94 2r59A1 HIS 596 HE1 -0.10 0.12 -0.01 -0.04 7.75 7.71 2r59A1 PRO 597 HA -0.05 0.10 0.38 -0.51 4.44 4.36 2r59A1 PRO 597 HB2 -0.13 -0.07 0.02 -0.04 2.28 2.06 2r59A1 PRO 597 HB3 -0.10 0.10 0.09 -0.04 2.02 2.06 2r59A1 PRO 597 HG2 -0.54 -0.01 0.09 -0.04 2.03 1.52 2r59A1 PRO 597 HG3 -0.29 0.38 0.14 -0.04 2.03 2.22 2r59A1 PRO 597 HD2 -1.09 -0.00 0.22 -0.04 3.68 2.76 2r59A1 PRO 597 HD3 -0.28 0.27 0.27 -0.04 3.65 3.87 2r59A1 VAL 598 H 0.23 0.16 -0.20 -0.55 8.24 7.88 2r59A1 VAL 598 HA 0.02 0.08 0.44 -0.75 4.13 3.91 2r59A1 VAL 598 HB 0.13 -0.00 0.12 -0.04 2.12 2.33 2r59A1 VAL 598 HG13 -0.01 -0.01 -0.07 -0.04 0.97 0.84 2r59A1 VAL 598 HG23 -0.10 0.04 0.04 -0.04 0.95 0.89 2r59A1 THR 599 H 0.14 0.08 -0.14 -0.55 8.28 7.82 2r59A1 THR 599 HA -0.04 0.01 0.34 -0.75 4.39 3.95 2r59A1 THR 599 HB 0.07 0.07 0.13 -0.04 4.32 4.54 2r59A1 THR 599 HG23 -0.00 0.02 -0.04 -0.04 1.22 1.15 2r59A1 ALA 600 H 0.07 0.73 -0.22 -0.55 8.40 8.43 2r59A1 ALA 600 HA 0.19 -0.01 0.36 -0.75 4.34 4.13 2r59A1 ALA 600 HB3 0.07 0.04 -0.01 -0.04 1.41 1.47 2r59A1 MET 601 H 0.03 0.40 -0.30 -0.55 8.47 8.06 2r59A1 MET 601 HA 0.04 0.01 0.33 -0.75 4.52 4.15 2r59A1 MET 601 HB2 0.02 0.12 0.17 -0.04 2.15 2.42 2r59A1 MET 601 HB3 0.01 0.06 0.20 -0.04 2.03 2.27 2r59A1 MET 601 HG2 0.02 -0.02 0.04 -0.04 2.63 2.63 2r59A1 MET 601 HG3 0.03 -0.05 0.02 -0.04 2.56 2.52 2r59A1 MET 601 HE3 0.00 -0.02 -0.03 -0.04 2.10 2.01 2r59A1 LEU 602 H -0.01 0.55 -0.01 -0.55 8.37 8.35 2r59A1 LEU 602 HA -0.03 0.00 0.47 -0.75 4.35 4.04 2r59A1 LEU 602 HB2 -0.04 0.06 0.10 -0.04 1.64 1.72 2r59A1 LEU 602 HB3 -0.03 -0.00 -0.02 -0.04 1.64 1.55 2r59A1 LEU 602 HG -0.01 -0.00 0.03 -0.04 1.64 1.61 2r59A1 LEU 602 HD13 -0.02 -0.02 -0.08 -0.04 0.93 0.77 2r59A1 LEU 602 HD23 0.00 -0.02 -0.09 -0.04 0.89 0.74 2r59A1 VAL 603 H -0.11 0.64 -0.12 -0.55 8.24 8.11 2r59A1 VAL 603 HA -0.20 0.02 0.44 -0.75 4.13 3.63 2r59A1 VAL 603 HB -0.35 0.06 0.08 -0.04 2.12 1.87 2r59A1 VAL 603 HG13 -1.02 -0.01 -0.16 -0.04 0.97 -0.26 2r59A1 VAL 603 HG23 -0.07 0.02 -0.05 -0.04 0.95 0.80 2r59A1 GLY 604 H -0.33 0.53 -0.12 -0.55 8.43 7.97 2r59A1 GLY 604 HA2 -0.53 -0.07 0.37 -0.51 4.01 3.27 2r59A1 GLY 604 HA3 -0.08 0.13 0.29 -0.51 4.01 3.84 2r59A1 LYS 605 H -0.07 0.59 -0.04 -0.55 8.42 8.35 2r59A1 LYS 605 HA -0.02 -0.00 0.57 -0.75 4.32 4.11 2r59A1 LYS 605 HB2 -0.03 0.08 0.19 -0.04 1.87 2.08 2r59A1 LYS 605 HB3 -0.00 -0.02 -0.01 -0.04 1.79 1.72 2r59A1 LYS 605 HG2 0.01 -0.04 0.06 -0.04 1.46 1.45 2r59A1 LYS 605 HG3 0.00 0.05 0.07 -0.04 1.46 1.54 2r59A1 LYS 605 HD2 0.01 -0.08 -0.01 -0.04 1.69 1.57 2r59A1 LYS 605 HD3 0.01 0.01 -0.02 -0.04 1.68 1.64 2r59A1 LYS 605 HE2 0.04 0.00 0.01 -0.04 2.99 3.00 2r59A1 LYS 605 HE3 0.03 0.05 0.01 -0.04 2.99 3.03 2r59A1 ASP 606 H -0.10 0.61 -0.09 -0.55 8.40 8.28 2r59A1 ASP 606 HA -0.03 -0.02 0.38 -0.75 4.63 4.21 2r59A1 ASP 606 HB2 -0.12 0.14 0.21 -0.04 2.71 2.90 2r59A1 ASP 606 HB3 -0.04 -0.07 -0.02 -0.04 2.70 2.53 2r59A1 LEU 607 H -0.18 0.45 -0.28 -0.55 8.37 7.81 2r59A1 LEU 607 HA -0.03 0.09 0.57 -0.75 4.35 4.23 2r59A1 LEU 607 HB2 -0.23 0.00 -0.02 -0.04 1.64 1.35 2r59A1 LEU 607 HB3 -0.10 -0.08 0.03 -0.04 1.64 1.45 2r59A1 LEU 607 HG -0.42 0.21 -0.11 -0.04 1.64 1.28 2r59A1 LEU 607 HD13 -0.31 -0.05 -0.16 -0.04 0.93 0.37 2r59A1 LEU 607 HD23 -0.01 -0.03 -0.29 -0.04 0.89 0.52 2r59A1 LYS 608 H -0.05 0.38 -0.36 -0.55 8.42 7.84 2r59A1 LYS 608 HA -0.00 0.01 0.37 -0.75 4.32 3.94 2r59A1 LYS 608 HB2 0.03 0.17 0.02 -0.04 1.87 2.05 2r59A1 LYS 608 HB3 0.02 -0.11 0.25 -0.04 1.79 1.91 2r59A1 LYS 608 HG2 0.01 -0.10 0.05 -0.04 1.46 1.38 2r59A1 LYS 608 HG3 0.01 0.20 0.00 -0.04 1.46 1.63 2r59A1 LYS 608 HD2 0.02 0.08 -0.09 -0.04 1.69 1.66 2r59A1 LYS 608 HD3 0.02 -0.07 -0.01 -0.04 1.68 1.58 2r59A1 LYS 608 HE2 0.01 -0.08 0.01 -0.04 2.99 2.89 2r59A1 LYS 608 HE3 0.01 0.04 0.00 -0.04 2.99 3.01 2r59A1 VAL 609 H -0.02 0.58 0.08 -0.55 8.24 8.32 2r59A1 VAL 609 HA 0.04 0.23 0.82 -0.75 4.13 4.46 2r59A1 VAL 609 HB 0.10 -0.20 0.06 -0.04 2.12 2.03 2r59A1 VAL 609 HG13 0.04 0.04 -0.20 -0.04 0.97 0.81 2r59A1 VAL 609 HG23 0.11 -0.01 -0.11 -0.04 0.95 0.90 2r59A1 ASP 610 H 0.06 0.09 0.02 -0.55 8.40 8.03 2r59A1 ASP 610 HA 0.03 0.03 0.15 -0.75 4.63 4.08 2r59A1 ASP 610 HB2 0.06 0.17 0.27 -0.04 2.71 3.16 2r59A1 ASP 610 HB3 0.03 -0.03 0.07 -0.04 2.70 2.73