============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 79 rings ring int. center anis. iso. HIS 13 0.900 -6.305 27.298 -47.027 -99.200 -91.000 PHE 35 1.000 -15.405 10.221 -40.368 -99.200 -91.000 TRP 49 1.040 -13.788 5.065 -37.679 -99.200 -91.000 TRP6 49 1.020 -11.560 4.618 -38.302 -99.200 -91.000 TYR 77 0.840 -17.862 15.000 -44.834 -99.200 -91.000 TYR 78 0.840 -17.978 6.111 -47.350 -99.200 -91.000 TYR 90 0.840 -5.240 22.629 -49.431 -99.200 -91.000 TRP 111 1.040 9.298 27.420 -9.860 -99.200 -91.000 TRP6 111 1.020 9.913 26.571 -7.737 -99.200 -91.000 TRP 113 1.040 8.068 25.312 -3.445 -99.200 -91.000 TRP6 113 1.020 9.882 26.526 -2.630 -99.200 -91.000 PHE 165 1.000 3.922 30.650 -39.348 -99.200 -91.000 PHE 166 1.000 7.485 33.884 -37.695 -99.200 -91.000 HIS 169 0.900 0.418 32.621 -39.258 -99.200 -91.000 HIS 174 0.900 1.440 37.652 -23.603 -99.200 -91.000 PHE 186 1.000 17.901 44.203 -19.950 -99.200 -91.000 TRP 198 1.040 8.049 49.570 -23.249 -99.200 -91.000 TRP6 198 1.020 9.901 49.169 -24.671 -99.200 -91.000 HIS 201 0.900 9.516 44.738 -28.220 -99.200 -91.000 TYR 202 0.840 2.894 43.683 -32.184 -99.200 -91.000 HIS 210 0.900 16.071 33.997 -35.325 -99.200 -91.000 PHE 214 1.000 13.483 36.701 -26.048 -99.200 -91.000 TYR 215 0.840 21.283 36.595 -21.815 -99.200 -91.000 PHE 221 1.000 15.721 39.708 -2.671 -99.200 -91.000 PHE 226 1.000 7.007 38.754 -6.899 -99.200 -91.000 PHE 250 1.000 1.840 27.240 -28.955 -99.200 -91.000 PHE 256 1.000 11.952 32.592 -16.024 -99.200 -91.000 TRP 261 1.040 18.900 38.082 2.240 -99.200 -91.000 TRP6 261 1.020 18.589 37.961 4.566 -99.200 -91.000 TYR 274 0.840 31.772 42.151 6.573 -99.200 -91.000 PHE 282 1.000 36.204 44.080 19.676 -99.200 -91.000 TRP 310 1.040 26.839 49.426 19.466 -99.200 -91.000 TRP6 310 1.020 27.904 47.987 21.022 -99.200 -91.000 TYR 319 0.840 22.714 31.392 0.570 -99.200 -91.000 HIS 324 0.900 21.278 31.837 -13.298 -99.200 -91.000 PHE 331 1.000 16.620 42.484 5.673 -99.200 -91.000 PHE 342 1.000 30.915 48.319 6.307 -99.200 -91.000 PHE 352 1.000 28.663 41.294 -0.032 -99.200 -91.000 TYR 354 0.840 21.026 47.907 0.108 -99.200 -91.000 PHE 370 1.000 18.557 43.440 10.023 -99.200 -91.000 TYR 386 0.840 11.342 23.603 9.449 -99.200 -91.000 PHE 393 1.000 10.986 37.522 14.103 -99.200 -91.000 TYR 398 0.840 0.980 40.811 27.430 -99.200 -91.000 HIS 407 0.900 8.006 48.549 10.361 -99.200 -91.000 PHE 413 1.000 13.173 40.303 2.766 -99.200 -91.000 TYR 426 0.840 9.760 37.523 27.041 -99.200 -91.000 TRP 429 1.040 14.083 38.190 28.172 -99.200 -91.000 TRP6 429 1.020 16.209 37.844 29.126 -99.200 -91.000 HIS 434 0.900 19.858 43.688 19.693 -99.200 -91.000 PHE 438 1.000 17.404 34.531 24.286 -99.200 -91.000 PHE 441 1.000 21.475 27.534 17.280 -99.200 -91.000 PHE 450 1.000 22.216 21.989 16.201 -99.200 -91.000 TYR 461 0.840 23.031 32.920 41.674 -99.200 -91.000 PHE 464 1.000 30.525 33.231 40.401 -99.200 -91.000 HIS 472 0.900 39.415 28.497 46.000 -99.200 -91.000 PHE 478 1.000 32.491 42.732 38.123 -99.200 -91.000 HIS 501 0.900 17.152 42.484 40.139 -99.200 -91.000 PHE 504 1.000 11.640 38.830 34.725 -99.200 -91.000 TRP 511 1.040 8.192 31.772 26.749 -99.200 -91.000 TRP6 511 1.020 6.148 30.840 27.446 -99.200 -91.000 PHE 534 1.000 21.732 37.702 31.427 -99.200 -91.000 PHE 539 1.000 12.180 52.631 31.335 -99.200 -91.000 PHE 545 1.000 26.639 41.286 39.034 -99.200 -91.000 PHE 546 1.000 29.610 36.865 34.522 -99.200 -91.000 HIS 558 0.900 40.574 28.691 15.138 -99.200 -91.000 PHE 565 1.000 38.816 41.461 32.420 -99.200 -91.000 PHE 592 1.000 37.497 32.608 27.599 -99.200 -91.000 PHE 596 1.000 34.267 45.610 32.530 -99.200 -91.000 PHE 597 1.000 36.244 50.660 32.046 -99.200 -91.000 TYR 599 0.840 33.333 46.559 21.070 -99.200 -91.000 HIS 600 0.900 29.956 44.223 30.476 -99.200 -91.000 HIS 603 0.900 24.045 49.678 28.578 -99.200 -91.000 HIS 607 0.900 26.668 37.642 17.297 -99.200 -91.000 PHE 617 1.000 22.469 26.426 5.346 -99.200 -91.000 PHE 619 1.000 18.075 20.907 0.601 -99.200 -91.000 TRP 621 1.040 16.667 28.695 -3.533 -99.200 -91.000 TRP6 621 1.020 14.508 28.911 -4.447 -99.200 -91.000 TRP 622 1.040 16.380 24.146 -6.892 -99.200 -91.000 TRP6 622 1.020 18.234 25.578 -7.139 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dw5A1 GLY 4 HA2 0.03 0.00 0.33 -0.51 4.01 3.86 2dw5A1 GLY 4 HA3 0.02 -0.08 0.17 -0.51 4.01 3.61 2dw5A1 THR 5 H 0.02 0.41 0.28 -0.55 8.28 8.44 2dw5A1 THR 5 HA 0.03 0.13 0.67 -0.75 4.39 4.46 2dw5A1 THR 5 HB 0.03 -0.08 0.13 -0.04 4.32 4.35 2dw5A1 THR 5 HG23 0.03 -0.01 -0.07 -0.04 1.22 1.13 2dw5A1 LEU 6 H 0.01 0.24 0.09 -0.55 8.37 8.17 2dw5A1 LEU 6 HA -0.01 0.22 0.84 -0.75 4.35 4.65 2dw5A1 LEU 6 HB2 0.00 -0.01 0.00 -0.04 1.64 1.59 2dw5A1 LEU 6 HB3 -0.00 -0.02 0.04 -0.04 1.64 1.61 2dw5A1 LEU 6 HG -0.01 0.01 -0.14 -0.04 1.64 1.46 2dw5A1 LEU 6 HD13 -0.01 -0.01 -0.09 -0.04 0.93 0.79 2dw5A1 LEU 6 HD23 -0.02 0.03 -0.39 -0.04 0.89 0.47 2dw5A1 ILE 7 H -0.01 0.67 0.25 -0.55 8.25 8.61 2dw5A1 ILE 7 HA 0.01 0.11 0.79 -0.75 4.18 4.33 2dw5A1 ILE 7 HB -0.02 -0.03 0.03 -0.04 1.89 1.82 2dw5A1 ILE 7 HG12 -0.00 0.08 -0.04 -0.04 1.49 1.49 2dw5A1 ILE 7 HG13 -0.00 -0.04 -0.12 -0.04 1.21 1.01 2dw5A1 ILE 7 HG23 0.01 0.02 -0.17 -0.04 0.93 0.74 2dw5A1 ILE 7 HD13 0.02 0.02 -0.11 -0.04 0.88 0.77 2dw5A1 ARG 8 H 0.01 0.21 0.15 -0.55 8.46 8.27 2dw5A1 ARG 8 HA -0.01 0.09 0.83 -0.75 4.34 4.50 2dw5A1 ARG 8 HB2 0.01 -0.01 0.15 -0.04 1.90 2.00 2dw5A1 ARG 8 HB3 0.00 0.05 -0.11 -0.04 1.80 1.70 2dw5A1 ARG 8 HG2 -0.00 -0.01 -0.02 -0.04 1.67 1.60 2dw5A1 ARG 8 HG3 -0.01 -0.03 0.02 -0.04 1.67 1.60 2dw5A1 ARG 8 HD2 0.00 0.05 -0.11 -0.04 3.22 3.12 2dw5A1 ARG 8 HD3 0.00 0.01 0.01 -0.04 3.22 3.21 2dw5A1 VAL 9 H -0.01 0.55 0.21 -0.55 8.24 8.43 2dw5A1 VAL 9 HA 0.01 0.12 0.75 -0.75 4.13 4.26 2dw5A1 VAL 9 HB 0.01 -0.03 -0.13 -0.04 2.12 1.92 2dw5A1 VAL 9 HG13 -0.04 0.00 -0.28 -0.04 0.97 0.61 2dw5A1 VAL 9 HG23 0.01 0.09 -0.08 -0.04 0.95 0.93 2dw5A1 THR 10 H 0.03 0.26 0.09 -0.55 8.28 8.11 2dw5A1 THR 10 HA 0.01 0.28 0.87 -0.75 4.39 4.79 2dw5A1 THR 10 HB 0.01 -0.11 0.02 -0.04 4.32 4.20 2dw5A1 THR 10 HG23 0.00 -0.00 -0.28 -0.04 1.22 0.91 2dw5A1 PRO 11 HA 0.08 0.11 0.60 -0.51 4.44 4.71 2dw5A1 PRO 11 HB2 0.01 -0.00 -0.07 -0.04 2.28 2.18 2dw5A1 PRO 11 HB3 0.10 0.03 -0.12 -0.04 2.02 1.98 2dw5A1 PRO 11 HG2 -0.09 -0.05 0.09 -0.04 2.03 1.94 2dw5A1 PRO 11 HG3 -0.28 0.05 0.07 -0.04 2.03 1.83 2dw5A1 PRO 11 HD2 -0.08 0.29 0.25 -0.04 3.68 4.10 2dw5A1 PRO 11 HD3 -0.04 0.10 -0.00 -0.04 3.65 3.67 2dw5A1 GLU 12 H -0.01 0.10 -0.17 -0.55 8.60 7.99 2dw5A1 GLU 12 HA 0.01 0.01 0.39 -0.75 4.29 3.94 2dw5A1 GLU 12 HB2 0.01 -0.03 0.07 -0.04 2.09 2.10 2dw5A1 GLU 12 HB3 0.01 -0.01 -0.00 -0.04 1.99 1.95 2dw5A1 GLU 12 HG2 -0.02 0.01 0.06 -0.04 2.34 2.35 2dw5A1 GLU 12 HG3 -0.01 -0.00 0.03 -0.04 2.34 2.32 2dw5A1 GLN 13 H 0.03 0.18 -0.26 -0.55 8.47 7.87 2dw5A1 GLN 13 HA 0.05 0.17 0.88 -0.75 4.36 4.72 2dw5A1 GLN 13 HB2 0.03 -0.13 -0.22 -0.04 2.15 1.79 2dw5A1 GLN 13 HB3 0.05 0.02 -0.02 -0.04 2.02 2.02 2dw5A1 GLN 13 HG2 0.06 0.04 0.13 -0.04 2.40 2.59 2dw5A1 GLN 13 HG3 0.03 -0.08 -0.01 -0.04 2.39 2.28 2dw5A1 GLN 13 HE21 0.04 -0.04 0.01 -0.04 6.97 6.93 2dw5A1 GLN 13 HE22 0.03 -0.07 -0.02 -0.04 7.69 7.59 2dw5A1 PRO 14 HA 0.07 0.12 0.70 -0.51 4.44 4.81 2dw5A1 PRO 14 HB2 0.31 -0.04 -0.03 -0.04 2.28 2.48 2dw5A1 PRO 14 HB3 0.25 0.01 0.11 -0.04 2.02 2.35 2dw5A1 PRO 14 HG2 0.20 -0.01 0.09 -0.04 2.03 2.26 2dw5A1 PRO 14 HG3 0.15 0.03 0.11 -0.04 2.03 2.28 2dw5A1 PRO 14 HD2 0.11 0.04 0.23 -0.04 3.68 4.02 2dw5A1 PRO 14 HD3 0.08 0.20 0.25 -0.04 3.65 4.14 2dw5A1 THR 15 H 0.03 0.55 0.48 -0.55 8.28 8.79 2dw5A1 THR 15 HA 0.19 0.19 1.00 -0.75 4.39 5.02 2dw5A1 THR 15 HB 0.07 0.00 0.09 -0.04 4.32 4.44 2dw5A1 THR 15 HG23 0.05 0.08 0.03 -0.04 1.22 1.34 2dw5A1 HIS 16 H 0.26 0.25 0.19 -0.55 8.41 8.56 2dw5A1 HIS 16 HA 0.13 0.26 0.97 -0.75 4.63 5.23 2dw5A1 HIS 16 HB2 0.05 -0.01 0.14 -0.04 3.26 3.40 2dw5A1 HIS 16 HB3 0.06 -0.01 0.01 -0.04 3.20 3.21 2dw5A1 HIS 16 HD2 -0.02 -0.04 -0.05 -0.04 6.97 6.82 2dw5A1 HIS 16 HE1 0.04 0.02 -0.13 -0.04 7.75 7.64 2dw5A1 ALA 17 H 0.08 0.61 0.27 -0.55 8.40 8.82 2dw5A1 ALA 17 HA 0.09 0.13 0.80 -0.75 4.34 4.62 2dw5A1 ALA 17 HB3 0.04 0.03 -0.10 -0.04 1.41 1.33 2dw5A1 VAL 18 H 0.09 0.19 0.16 -0.55 8.24 8.13 2dw5A1 VAL 18 HA 0.02 0.18 0.98 -0.75 4.13 4.55 2dw5A1 VAL 18 HB 0.06 0.03 0.05 -0.04 2.12 2.22 2dw5A1 VAL 18 HG13 -0.06 -0.00 -0.15 -0.04 0.97 0.72 2dw5A1 VAL 18 HG23 0.08 -0.01 -0.05 -0.04 0.95 0.93 2dw5A1 CYS 19 H -0.06 0.71 0.29 -0.55 8.50 8.89 2dw5A1 CYS 19 HA -0.04 0.20 0.82 -0.75 4.58 4.82 2dw5A1 CYS 19 HB2 -0.05 -0.10 -0.06 -0.04 2.97 2.71 2dw5A1 CYS 19 HB3 -0.05 0.04 -0.15 -0.04 2.97 2.77 2dw5A1 VAL 20 H -0.12 0.23 0.04 -0.55 8.24 7.85 2dw5A1 VAL 20 HA -0.27 0.16 0.83 -0.75 4.13 4.10 2dw5A1 VAL 20 HB -0.51 0.02 0.07 -0.04 2.12 1.66 2dw5A1 VAL 20 HG13 -0.92 0.05 -0.06 -0.04 0.97 0.00 2dw5A1 VAL 20 HG23 -0.54 -0.01 -0.10 -0.04 0.95 0.26 2dw5A1 LEU 21 H -0.17 0.52 0.32 -0.55 8.37 8.50 2dw5A1 LEU 21 HA -0.07 0.01 0.47 -0.75 4.35 4.01 2dw5A1 LEU 21 HB2 -0.10 -0.03 0.12 -0.04 1.64 1.60 2dw5A1 LEU 21 HB3 -0.06 0.05 -0.11 -0.04 1.64 1.48 2dw5A1 LEU 21 HG -0.06 0.13 -0.26 -0.04 1.64 1.42 2dw5A1 LEU 21 HD13 -0.09 0.01 -0.24 -0.04 0.93 0.58 2dw5A1 LEU 21 HD23 -0.08 -0.04 -0.29 -0.04 0.89 0.44 2dw5A1 GLY 22 H -0.03 0.15 0.21 -0.55 8.43 8.21 2dw5A1 GLY 22 HA2 -0.01 -0.00 0.34 -0.51 4.01 3.84 2dw5A1 GLY 22 HA3 0.00 0.13 0.72 -0.51 4.01 4.35 2dw5A1 THR 23 H -0.02 0.18 0.08 -0.55 8.28 7.98 2dw5A1 THR 23 HA 0.06 0.16 0.78 -0.75 4.39 4.65 2dw5A1 THR 23 HB 0.00 0.18 0.09 -0.04 4.32 4.55 2dw5A1 THR 23 HG23 0.09 0.03 -0.04 -0.04 1.22 1.26 2dw5A1 LEU 24 H 0.04 0.24 0.18 -0.55 8.37 8.28 2dw5A1 LEU 24 HA 0.00 0.09 0.76 -0.75 4.35 4.45 2dw5A1 LEU 24 HB2 0.01 0.02 0.10 -0.04 1.64 1.73 2dw5A1 LEU 24 HB3 0.02 0.01 0.23 -0.04 1.64 1.86 2dw5A1 LEU 24 HG 0.00 -0.00 -0.00 -0.04 1.64 1.60 2dw5A1 LEU 24 HD13 0.00 -0.01 -0.16 -0.04 0.93 0.72 2dw5A1 LEU 24 HD23 -0.01 0.01 -0.03 -0.04 0.89 0.82 2dw5A1 THR 25 H -0.01 0.33 0.27 -0.55 8.28 8.32 2dw5A1 THR 25 HA 0.00 0.19 1.01 -0.75 4.39 4.84 2dw5A1 THR 25 HB -0.02 0.19 0.21 -0.04 4.32 4.66 2dw5A1 THR 25 HG23 -0.01 -0.02 -0.14 -0.04 1.22 1.01 2dw5A1 GLN 26 H -0.01 0.80 0.44 -0.55 8.47 9.16 2dw5A1 GLN 26 HA -0.04 0.22 1.09 -0.75 4.36 4.89 2dw5A1 GLN 26 HB2 -0.03 0.03 0.12 -0.04 2.15 2.22 2dw5A1 GLN 26 HB3 -0.02 -0.03 -0.00 -0.04 2.02 1.93 2dw5A1 GLN 26 HG2 -0.01 0.26 0.03 -0.04 2.40 2.64 2dw5A1 GLN 26 HG3 -0.01 -0.10 -0.10 -0.04 2.39 2.14 2dw5A1 GLN 26 HE21 0.00 0.00 -0.11 -0.04 6.97 6.83 2dw5A1 GLN 26 HE22 0.00 -0.03 -0.26 -0.04 7.69 7.36 2dw5A1 LEU 27 H -0.06 0.61 0.35 -0.55 8.37 8.72 2dw5A1 LEU 27 HA -0.05 0.25 1.07 -0.75 4.35 4.86 2dw5A1 LEU 27 HB2 -0.09 0.03 0.01 -0.04 1.64 1.54 2dw5A1 LEU 27 HB3 -0.12 -0.05 -0.23 -0.04 1.64 1.20 2dw5A1 LEU 27 HG -0.07 0.02 -0.16 -0.04 1.64 1.39 2dw5A1 LEU 27 HD13 -0.05 0.03 -0.29 -0.04 0.93 0.58 2dw5A1 LEU 27 HD23 -0.09 -0.01 -0.22 -0.04 0.89 0.52 2dw5A1 ASP 28 H -0.04 0.89 0.28 -0.55 8.40 8.98 2dw5A1 ASP 28 HA -0.06 0.13 0.88 -0.75 4.63 4.83 2dw5A1 ASP 28 HB2 -0.02 0.05 -0.00 -0.04 2.71 2.70 2dw5A1 ASP 28 HB3 -0.02 -0.01 0.19 -0.04 2.70 2.82 2dw5A1 ILE 29 H -0.13 0.26 0.05 -0.55 8.25 7.88 2dw5A1 ILE 29 HA -0.07 0.15 0.61 -0.75 4.18 4.11 2dw5A1 ILE 29 HB -0.45 0.07 -0.03 -0.04 1.89 1.44 2dw5A1 ILE 29 HG12 -0.38 0.00 -0.14 -0.04 1.49 0.93 2dw5A1 ILE 29 HG13 -0.22 -0.07 -0.37 -0.04 1.21 0.51 2dw5A1 ILE 29 HG23 -0.83 0.02 -0.21 -0.04 0.93 -0.14 2dw5A1 ILE 29 HD13 -0.48 0.02 -0.17 -0.04 0.88 0.20 2dw5A1 CYS 30 H -0.05 -0.02 -0.01 -0.55 8.50 7.86 2dw5A1 CYS 30 HA 0.01 0.23 0.35 -0.75 4.58 4.42 2dw5A1 CYS 30 HB2 -0.01 -0.07 0.10 -0.04 2.97 2.95 2dw5A1 CYS 30 HB3 0.00 0.06 -0.06 -0.04 2.97 2.94 2dw5A1 SER 31 H -0.02 -0.01 -0.05 -0.55 8.46 7.83 2dw5A1 SER 31 HA -0.02 0.04 0.25 -0.75 4.49 4.00 2dw5A1 SER 31 HB2 -0.02 -0.02 0.05 -0.04 3.95 3.92 2dw5A1 SER 31 HB3 -0.01 0.05 -0.03 -0.04 3.93 3.89 2dw5A1 SER 32 H -0.03 0.11 -0.30 -0.55 8.46 7.70 2dw5A1 SER 32 HA -0.06 0.18 0.81 -0.75 4.49 4.66 2dw5A1 SER 32 HB2 -0.03 0.23 0.17 -0.04 3.95 4.28 2dw5A1 SER 32 HB3 -0.04 -0.10 0.17 -0.04 3.93 3.92 2dw5A1 ALA 33 H -0.09 0.68 -0.21 -0.55 8.40 8.23 2dw5A1 ALA 33 HA -0.76 -0.00 0.50 -0.75 4.34 3.34 2dw5A1 ALA 33 HB3 -0.09 0.04 0.13 -0.04 1.41 1.45 2dw5A1 PRO 34 HA -0.12 0.11 0.52 -0.51 4.44 4.44 2dw5A1 PRO 34 HB2 -0.07 -0.00 0.03 -0.04 2.28 2.20 2dw5A1 PRO 34 HB3 -0.10 -0.02 0.11 -0.04 2.02 1.97 2dw5A1 PRO 34 HG2 -0.15 0.04 0.03 -0.04 2.03 1.91 2dw5A1 PRO 34 HG3 -0.26 0.03 0.06 -0.04 2.03 1.82 2dw5A1 PRO 34 HD2 -0.53 0.10 0.09 -0.04 3.68 3.30 2dw5A1 PRO 34 HD3 -1.37 0.12 0.22 -0.04 3.65 2.58 2dw5A1 GLU 35 H -0.04 0.04 0.06 -0.55 8.60 8.11 2dw5A1 GLU 35 HA -0.01 0.20 0.25 -0.75 4.29 3.97 2dw5A1 GLU 35 HB2 -0.02 0.14 -0.09 -0.04 2.09 2.08 2dw5A1 GLU 35 HB3 -0.01 -0.06 0.07 -0.04 1.99 1.95 2dw5A1 GLU 35 HG2 -0.00 -0.06 0.00 -0.04 2.34 2.24 2dw5A1 GLU 35 HG3 0.00 -0.06 0.03 -0.04 2.34 2.27 2dw5A1 THR 38 HA 0.00 -0.10 0.30 -0.75 4.39 3.84 2dw5A1 THR 38 HB -0.03 0.13 0.33 -0.04 4.32 4.71 2dw5A1 THR 38 HG23 0.01 -0.03 0.12 -0.04 1.22 1.28 2dw5A1 SER 39 H -0.13 0.50 0.33 -0.55 8.46 8.62 2dw5A1 SER 39 HA -0.11 0.10 0.94 -0.75 4.49 4.67 2dw5A1 SER 39 HB2 -0.94 0.01 0.02 -0.04 3.95 2.99 2dw5A1 SER 39 HB3 -0.62 0.09 0.06 -0.04 3.93 3.42 2dw5A1 PHE 40 H -0.25 0.77 0.33 -0.55 8.34 8.64 2dw5A1 PHE 40 HA -0.08 0.28 0.97 -0.75 4.62 5.04 2dw5A1 PHE 40 HB2 -0.28 -0.02 -0.04 -0.04 3.15 2.77 2dw5A1 PHE 40 HB3 -0.06 -0.02 -0.21 -0.04 3.06 2.73 2dw5A1 PHE 40 HD2 -0.02 -0.01 -0.44 -0.04 7.28 6.77 2dw5A1 PHE 40 HE2 -0.07 0.04 -0.20 -0.04 7.38 7.11 2dw5A1 PHE 40 HZ -0.23 -0.00 -0.21 -0.04 7.32 6.85 2dw5A1 SER 41 H 0.26 0.68 0.42 -0.55 8.46 9.27 2dw5A1 SER 41 HA 0.15 0.16 0.81 -0.75 4.49 4.86 2dw5A1 SER 41 HB2 0.22 -0.01 0.04 -0.04 3.95 4.16 2dw5A1 SER 41 HB3 0.12 -0.07 -0.01 -0.04 3.93 3.93 2dw5A1 ILE 42 H 0.15 0.24 0.13 -0.55 8.25 8.22 2dw5A1 ILE 42 HA 0.06 0.27 1.08 -0.75 4.18 4.83 2dw5A1 ILE 42 HB 0.17 -0.00 -0.19 -0.04 1.89 1.83 2dw5A1 ILE 42 HG12 -0.02 -0.04 -0.16 -0.04 1.49 1.23 2dw5A1 ILE 42 HG13 -0.00 0.08 -0.13 -0.04 1.21 1.11 2dw5A1 ILE 42 HG23 0.05 -0.01 0.04 -0.04 0.93 0.98 2dw5A1 ILE 42 HD13 -0.03 -0.00 -0.17 -0.04 0.88 0.63 2dw5A1 ASN 43 H 0.01 0.77 0.36 -0.55 8.53 9.12 2dw5A1 ASN 43 HA 0.02 0.16 0.96 -0.75 4.76 5.14 2dw5A1 ASN 43 HB2 0.01 -0.01 -0.04 -0.04 2.88 2.81 2dw5A1 ASN 43 HB3 -0.00 -0.01 0.09 -0.04 2.79 2.83 2dw5A1 ASN 43 HD21 -0.00 -0.01 -0.07 -0.04 7.03 6.90 2dw5A1 ASN 43 HD22 -0.01 -0.02 -0.07 -0.04 7.74 7.61 2dw5A1 ALA 44 H -0.00 0.31 0.22 -0.55 8.40 8.37 2dw5A1 ALA 44 HA -0.04 0.16 0.94 -0.75 4.34 4.65 2dw5A1 ALA 44 HB3 -0.03 0.01 -0.01 -0.04 1.41 1.34 2dw5A1 SER 45 H -0.03 0.45 0.34 -0.55 8.46 8.67 2dw5A1 SER 45 HA -0.01 0.12 0.53 -0.75 4.49 4.38 2dw5A1 SER 45 HB2 -0.01 0.07 0.21 -0.04 3.95 4.18 2dw5A1 SER 45 HB3 -0.01 0.04 0.22 -0.04 3.93 4.13 2dw5A1 PRO 46 HA -0.01 0.19 0.23 -0.51 4.44 4.35 2dw5A1 PRO 46 HB2 -0.01 0.02 0.02 -0.04 2.28 2.27 2dw5A1 PRO 46 HB3 -0.00 0.05 0.14 -0.04 2.02 2.17 2dw5A1 PRO 46 HG2 -0.00 0.03 0.11 -0.04 2.03 2.12 2dw5A1 PRO 46 HG3 -0.00 0.06 0.14 -0.04 2.03 2.18 2dw5A1 PRO 46 HD2 -0.00 0.08 0.21 -0.04 3.68 3.93 2dw5A1 PRO 46 HD3 -0.00 0.12 0.30 -0.04 3.65 4.02 2dw5A1 GLY 47 H -0.01 0.02 -0.36 -0.55 8.43 7.54 2dw5A1 GLY 47 HA2 -0.01 0.07 0.58 -0.51 4.01 4.13 2dw5A1 GLY 47 HA3 -0.02 -0.03 0.30 -0.51 4.01 3.75 2dw5A1 VAL 48 H -0.02 0.59 -0.15 -0.55 8.24 8.12 2dw5A1 VAL 48 HA -0.02 0.18 0.79 -0.75 4.13 4.32 2dw5A1 VAL 48 HB -0.03 0.08 0.03 -0.04 2.12 2.16 2dw5A1 VAL 48 HG13 -0.03 -0.02 -0.30 -0.04 0.97 0.58 2dw5A1 VAL 48 HG23 -0.03 -0.04 -0.17 -0.04 0.95 0.67 2dw5A1 VAL 49 H -0.02 0.79 0.30 -0.55 8.24 8.76 2dw5A1 VAL 49 HA -0.01 0.16 0.92 -0.75 4.13 4.44 2dw5A1 VAL 49 HB -0.02 -0.04 0.15 -0.04 2.12 2.18 2dw5A1 VAL 49 HG13 -0.01 -0.00 -0.16 -0.04 0.97 0.76 2dw5A1 VAL 49 HG23 -0.01 0.01 -0.11 -0.04 0.95 0.79 2dw5A1 VAL 50 H -0.02 0.19 0.06 -0.55 8.24 7.92 2dw5A1 VAL 50 HA -0.05 0.40 1.03 -0.75 4.13 4.77 2dw5A1 VAL 50 HB -0.07 0.04 -0.02 -0.04 2.12 2.03 2dw5A1 VAL 50 HG13 -0.03 -0.00 -0.14 -0.04 0.97 0.75 2dw5A1 VAL 50 HG23 -0.04 -0.01 -0.12 -0.04 0.95 0.73 2dw5A1 ASP 51 H -0.07 0.56 0.32 -0.55 8.40 8.67 2dw5A1 ASP 51 HA -0.05 0.12 0.83 -0.75 4.63 4.78 2dw5A1 ASP 51 HB2 -0.04 -0.02 0.06 -0.04 2.71 2.67 2dw5A1 ASP 51 HB3 -0.03 -0.01 0.03 -0.04 2.70 2.65 2dw5A1 ILE 52 H -0.10 0.09 0.07 -0.55 8.25 7.76 2dw5A1 ILE 52 HA -0.27 0.49 0.81 -0.75 4.18 4.45 2dw5A1 ILE 52 HB -0.44 0.00 -0.40 -0.04 1.89 1.01 2dw5A1 ILE 52 HG12 -2.28 -0.01 0.07 -0.04 1.49 -0.77 2dw5A1 ILE 52 HG13 -0.67 0.12 -0.07 -0.04 1.21 0.56 2dw5A1 ILE 52 HG23 -0.78 0.00 -0.03 -0.04 0.93 0.09 2dw5A1 ILE 52 HD13 -0.80 -0.00 -0.16 -0.04 0.88 -0.12 2dw5A1 THR 67 HA -0.06 -0.07 0.15 -0.75 4.39 3.65 2dw5A1 THR 67 HB -0.26 -0.04 0.11 -0.04 4.32 4.10 2dw5A1 THR 67 HG23 -0.02 -0.02 0.05 -0.04 1.22 1.19 2dw5A1 TRP 68 H -0.10 0.59 0.33 -0.55 7.97 8.25 2dw5A1 TRP 68 HA -0.21 0.11 0.97 -0.75 4.62 4.73 2dw5A1 TRP 68 HB2 -0.75 0.02 -0.20 -0.04 3.23 2.25 2dw5A1 TRP 68 HB3 -0.88 0.06 -0.15 -0.04 3.23 2.22 2dw5A1 TRP 68 HD1 -0.10 0.03 0.21 -0.04 7.22 7.32 2dw5A1 TRP 68 HE1 -0.03 -0.03 0.12 -0.04 10.20 10.22 2dw5A1 TRP 68 HE3 -0.16 0.01 0.62 -0.04 7.59 8.02 2dw5A1 TRP 68 HZ2 -0.02 -0.03 0.02 -0.04 7.44 7.37 2dw5A1 TRP 68 HZ3 -0.04 -0.00 0.03 -0.04 7.13 7.08 2dw5A1 TRP 68 HH2 -0.02 -0.02 -0.00 -0.04 7.19 7.10 2dw5A1 PRO 69 HA -0.01 0.28 0.76 -0.51 4.44 4.96 2dw5A1 PRO 69 HB2 0.06 0.00 0.05 -0.04 2.28 2.35 2dw5A1 PRO 69 HB3 0.01 0.02 0.12 -0.04 2.02 2.13 2dw5A1 PRO 69 HG2 0.13 -0.04 0.07 -0.04 2.03 2.16 2dw5A1 PRO 69 HG3 0.06 0.02 0.10 -0.04 2.03 2.17 2dw5A1 PRO 69 HD2 0.41 0.08 0.26 -0.04 3.68 4.39 2dw5A1 PRO 69 HD3 0.06 0.15 0.30 -0.04 3.65 4.11 2dw5A1 LEU 70 H 0.09 0.55 0.12 -0.55 8.37 8.59 2dw5A1 LEU 70 HA 0.35 0.10 0.40 -0.75 4.35 4.44 2dw5A1 LEU 70 HB2 0.14 0.04 -0.25 -0.04 1.64 1.53 2dw5A1 LEU 70 HB3 0.10 0.04 0.17 -0.04 1.64 1.90 2dw5A1 LEU 70 HG 0.23 -0.06 -0.18 -0.04 1.64 1.59 2dw5A1 LEU 70 HD13 0.24 0.03 -0.14 -0.04 0.93 1.01 2dw5A1 LEU 70 HD23 0.07 -0.01 -0.02 -0.04 0.89 0.89 2dw5A1 ASP 71 H 0.18 0.43 -0.34 -0.55 8.40 8.12 2dw5A1 ASP 71 HA 0.07 0.19 0.76 -0.75 4.63 4.89 2dw5A1 ASP 71 HB2 0.07 0.02 -0.01 -0.04 2.71 2.75 2dw5A1 ASP 71 HB3 0.11 0.06 0.08 -0.04 2.70 2.91 2dw5A1 PRO 72 HA 0.01 0.03 0.34 -0.51 4.44 4.32 2dw5A1 PRO 72 HB2 0.02 0.00 0.04 -0.04 2.28 2.29 2dw5A1 PRO 72 HB3 0.01 -0.00 0.07 -0.04 2.02 2.06 2dw5A1 PRO 72 HG2 0.02 0.02 0.09 -0.04 2.03 2.12 2dw5A1 PRO 72 HG3 0.02 0.07 0.08 -0.04 2.03 2.15 2dw5A1 PRO 72 HD2 0.03 0.03 0.23 -0.04 3.68 3.93 2dw5A1 PRO 72 HD3 0.04 0.39 0.31 -0.04 3.65 4.35 2dw5A1 GLY 73 H 0.03 0.05 -0.25 -0.55 8.43 7.72 2dw5A1 GLY 73 HA2 0.01 0.05 0.27 -0.51 4.01 3.83 2dw5A1 GLY 73 HA3 0.02 -0.03 0.25 -0.51 4.01 3.74 2dw5A1 VAL 74 H 0.05 0.35 -0.37 -0.55 8.24 7.73 2dw5A1 VAL 74 HA 0.02 0.06 0.83 -0.75 4.13 4.29 2dw5A1 VAL 74 HB 0.09 -0.10 0.08 -0.04 2.12 2.14 2dw5A1 VAL 74 HG13 0.12 0.13 0.04 -0.04 0.97 1.23 2dw5A1 VAL 74 HG23 0.02 0.01 0.00 -0.04 0.95 0.95 2dw5A1 GLU 75 H -0.02 0.12 0.21 -0.55 8.60 8.35 2dw5A1 GLU 75 HA -0.04 0.12 0.42 -0.75 4.29 4.04 2dw5A1 GLU 75 HB2 -0.03 -0.01 0.11 -0.04 2.09 2.12 2dw5A1 GLU 75 HB3 -0.04 -0.01 -0.02 -0.04 1.99 1.88 2dw5A1 GLU 75 HG2 -0.02 0.04 -0.10 -0.04 2.34 2.22 2dw5A1 GLU 75 HG3 -0.01 0.12 0.02 -0.04 2.34 2.44 2dw5A1 VAL 76 H -0.07 0.23 0.25 -0.55 8.24 8.10 2dw5A1 VAL 76 HA -0.15 0.28 0.99 -0.75 4.13 4.50 2dw5A1 VAL 76 HB -0.11 -0.07 0.17 -0.04 2.12 2.06 2dw5A1 VAL 76 HG13 -0.11 -0.01 -0.18 -0.04 0.97 0.63 2dw5A1 VAL 76 HG23 -0.12 0.02 -0.17 -0.04 0.95 0.64 2dw5A1 THR 77 H -0.09 0.70 0.37 -0.55 8.28 8.71 2dw5A1 THR 77 HA -0.05 0.24 1.10 -0.75 4.39 4.93 2dw5A1 THR 77 HB -0.04 -0.02 -0.01 -0.04 4.32 4.21 2dw5A1 THR 77 HG23 -0.04 0.01 0.04 -0.04 1.22 1.18 2dw5A1 LEU 78 H -0.03 0.71 0.34 -0.55 8.37 8.84 2dw5A1 LEU 78 HA -0.04 0.19 0.84 -0.75 4.35 4.58 2dw5A1 LEU 78 HB2 -0.04 0.02 -0.10 -0.04 1.64 1.48 2dw5A1 LEU 78 HB3 -0.03 -0.04 -0.22 -0.04 1.64 1.30 2dw5A1 LEU 78 HG -0.04 -0.03 -0.22 -0.04 1.64 1.31 2dw5A1 LEU 78 HD13 -0.06 0.01 -0.31 -0.04 0.93 0.54 2dw5A1 LEU 78 HD23 -0.05 -0.01 -0.26 -0.04 0.89 0.53 2dw5A1 THR 79 H -0.03 0.55 0.25 -0.55 8.28 8.50 2dw5A1 THR 79 HA -0.03 0.12 0.87 -0.75 4.39 4.61 2dw5A1 THR 79 HB -0.02 0.07 0.09 -0.04 4.32 4.42 2dw5A1 THR 79 HG23 -0.02 0.03 -0.13 -0.04 1.22 1.05 2dw5A1 MET 80 H -0.03 0.17 0.12 -0.55 8.47 8.18 2dw5A1 MET 80 HA -0.03 0.32 0.95 -0.75 4.52 5.01 2dw5A1 MET 80 HB2 -0.05 -0.02 -0.01 -0.04 2.15 2.03 2dw5A1 MET 80 HB3 -0.05 0.02 -0.19 -0.04 2.03 1.78 2dw5A1 MET 80 HG2 -0.04 0.03 -0.07 -0.04 2.63 2.51 2dw5A1 MET 80 HG3 -0.03 0.13 -0.06 -0.04 2.56 2.56 2dw5A1 MET 80 HE3 -0.03 0.03 -0.41 -0.04 2.10 1.65 2dw5A1 LYS 81 H -0.03 0.31 0.23 -0.55 8.42 8.38 2dw5A1 LYS 81 HA -0.03 0.17 0.80 -0.75 4.32 4.51 2dw5A1 LYS 81 HB2 -0.02 0.06 0.13 -0.04 1.87 2.01 2dw5A1 LYS 81 HB3 -0.02 -0.02 -0.03 -0.04 1.79 1.68 2dw5A1 LYS 81 HG2 -0.02 -0.00 0.02 -0.04 1.46 1.42 2dw5A1 LYS 81 HG3 -0.02 0.01 -0.13 -0.04 1.46 1.29 2dw5A1 LYS 81 HD2 -0.01 0.04 -0.03 -0.04 1.69 1.66 2dw5A1 LYS 81 HD3 -0.01 -0.03 -0.02 -0.04 1.68 1.58 2dw5A1 LYS 81 HE2 -0.01 -0.00 -0.03 -0.04 2.99 2.90 2dw5A1 LYS 81 HE3 -0.01 0.02 -0.05 -0.04 2.99 2.91 2dw5A1 ALA 82 H -0.03 0.11 0.10 -0.55 8.40 8.04 2dw5A1 ALA 82 HA -0.04 0.16 0.85 -0.75 4.34 4.56 2dw5A1 ALA 82 HB3 -0.03 0.02 -0.04 -0.04 1.41 1.32 2dw5A1 ALA 83 H -0.05 0.12 0.01 -0.55 8.40 7.92 2dw5A1 ALA 83 HA -0.10 -0.00 0.25 -0.75 4.34 3.74 2dw5A1 ALA 83 HB3 -0.08 0.02 -0.05 -0.04 1.41 1.26 2dw5A1 SER 84 H -0.11 0.70 0.26 -0.55 8.46 8.77 2dw5A1 SER 84 HA -0.04 0.07 0.53 -0.75 4.49 4.30 2dw5A1 SER 84 HB2 -0.10 0.14 0.14 -0.04 3.95 4.09 2dw5A1 SER 84 HB3 -0.03 0.03 0.04 -0.04 3.93 3.92 2dw5A1 GLY 85 H -0.02 0.12 0.19 -0.55 8.43 8.17 2dw5A1 GLY 85 HA2 -0.01 0.16 0.71 -0.51 4.01 4.35 2dw5A1 GLY 85 HA3 -0.01 0.05 0.32 -0.51 4.01 3.86 2dw5A1 SER 86 H -0.00 0.13 0.16 -0.55 8.46 8.21 2dw5A1 SER 86 HA 0.02 0.02 0.40 -0.75 4.49 4.17 2dw5A1 SER 86 HB2 0.02 0.09 0.06 -0.04 3.95 4.07 2dw5A1 SER 86 HB3 0.01 0.07 0.11 -0.04 3.93 4.08 2dw5A1 THR 87 H 0.04 0.10 0.09 -0.55 8.28 7.96 2dw5A1 THR 87 HA 0.07 -0.01 0.42 -0.75 4.39 4.12 2dw5A1 THR 87 HB 0.04 0.03 0.02 -0.04 4.32 4.38 2dw5A1 THR 87 HG23 0.10 0.03 -0.11 -0.04 1.22 1.20 2dw5A1 GLY 88 H 0.07 0.09 0.03 -0.55 8.43 8.07 2dw5A1 GLY 88 HA2 0.10 0.11 0.08 -0.51 4.01 3.79 2dw5A1 GLY 88 HA3 0.07 0.01 0.30 -0.51 4.01 3.88 2dw5A1 ASP 89 H 0.03 0.26 -0.21 -0.55 8.40 7.93 2dw5A1 ASP 89 HA 0.04 0.12 0.42 -0.75 4.63 4.46 2dw5A1 ASP 89 HB2 0.01 -0.03 0.19 -0.04 2.71 2.84 2dw5A1 ASP 89 HB3 0.02 0.01 0.08 -0.04 2.70 2.77 2dw5A1 GLN 90 H 0.03 0.35 -0.26 -0.55 8.47 8.04 2dw5A1 GLN 90 HA 0.00 0.10 0.68 -0.75 4.36 4.39 2dw5A1 GLN 90 HB2 -0.01 -0.03 -0.04 -0.04 2.15 2.02 2dw5A1 GLN 90 HB3 -0.02 0.01 -0.01 -0.04 2.02 1.97 2dw5A1 GLN 90 HG2 -0.01 -0.07 -0.20 -0.04 2.40 2.07 2dw5A1 GLN 90 HG3 -0.02 0.03 -0.12 -0.04 2.39 2.24 2dw5A1 GLN 90 HE21 -0.01 -0.02 0.03 -0.04 6.97 6.94 2dw5A1 GLN 90 HE22 -0.01 -0.05 -0.08 -0.04 7.69 7.50 2dw5A1 LYS 91 H -0.03 0.10 0.22 -0.55 8.42 8.15 2dw5A1 LYS 91 HA -0.15 0.35 1.19 -0.75 4.32 4.97 2dw5A1 LYS 91 HB2 -0.06 -0.12 0.05 -0.04 1.87 1.70 2dw5A1 LYS 91 HB3 -0.17 0.07 -0.05 -0.04 1.79 1.59 2dw5A1 LYS 91 HG2 0.01 0.15 -0.10 -0.04 1.46 1.49 2dw5A1 LYS 91 HG3 0.04 -0.04 -0.16 -0.04 1.46 1.25 2dw5A1 LYS 91 HD2 -0.05 -0.03 -0.08 -0.04 1.69 1.49 2dw5A1 LYS 91 HD3 -0.13 0.03 -0.05 -0.04 1.68 1.48 2dw5A1 LYS 91 HE2 0.13 -0.01 -0.04 -0.04 2.99 3.03 2dw5A1 LYS 91 HE3 0.21 0.04 -0.05 -0.04 2.99 3.15 2dw5A1 VAL 92 H -0.20 0.80 0.43 -0.55 8.24 8.72 2dw5A1 VAL 92 HA -0.08 0.18 0.97 -0.75 4.13 4.45 2dw5A1 VAL 92 HB -0.10 -0.06 0.05 -0.04 2.12 1.97 2dw5A1 VAL 92 HG13 -0.07 0.01 -0.16 -0.04 0.97 0.72 2dw5A1 VAL 92 HG23 -0.07 0.00 -0.28 -0.04 0.95 0.56 2dw5A1 GLN 93 H -0.06 0.89 0.38 -0.55 8.47 9.12 2dw5A1 GLN 93 HA -0.09 0.33 1.10 -0.75 4.36 4.96 2dw5A1 GLN 93 HB2 -0.07 -0.05 -0.07 -0.04 2.15 1.92 2dw5A1 GLN 93 HB3 -0.04 0.01 0.12 -0.04 2.02 2.07 2dw5A1 GLN 93 HG2 -0.02 -0.00 -0.36 -0.04 2.40 1.98 2dw5A1 GLN 93 HG3 -0.03 0.03 -0.06 -0.04 2.39 2.29 2dw5A1 GLN 93 HE21 -0.00 -0.02 -0.09 -0.04 6.97 6.81 2dw5A1 GLN 93 HE22 -0.00 -0.03 -0.12 -0.04 7.69 7.49 2dw5A1 ILE 94 H -0.07 0.68 0.32 -0.55 8.25 8.63 2dw5A1 ILE 94 HA -0.06 0.29 1.08 -0.75 4.18 4.73 2dw5A1 ILE 94 HB -0.22 -0.06 0.08 -0.04 1.89 1.64 2dw5A1 ILE 94 HG12 -0.19 0.01 -0.17 -0.04 1.49 1.10 2dw5A1 ILE 94 HG13 -0.10 0.02 -0.32 -0.04 1.21 0.77 2dw5A1 ILE 94 HG23 -0.52 0.02 -0.16 -0.04 0.93 0.22 2dw5A1 ILE 94 HD13 -0.09 -0.00 -0.27 -0.04 0.88 0.48 2dw5A1 SER 95 H 0.01 0.84 0.35 -0.55 8.46 9.11 2dw5A1 SER 95 HA 0.05 0.28 0.83 -0.75 4.49 4.89 2dw5A1 SER 95 HB2 0.15 -0.08 0.09 -0.04 3.95 4.08 2dw5A1 SER 95 HB3 0.10 0.02 -0.10 -0.04 3.93 3.91 2dw5A1 TYR 96 H 0.22 0.75 0.35 -0.55 8.29 9.06 2dw5A1 TYR 96 HA 0.14 0.24 1.07 -0.75 4.56 5.26 2dw5A1 TYR 96 HB2 0.06 -0.09 0.15 -0.04 3.06 3.14 2dw5A1 TYR 96 HB3 0.05 0.07 0.03 -0.04 2.98 3.08 2dw5A1 TYR 96 HD2 0.03 0.11 -0.04 -0.04 7.15 7.21 2dw5A1 TYR 96 HE2 -0.07 0.06 -0.09 -0.04 6.85 6.70 2dw5A1 TYR 97 H -0.11 1.00 0.38 -0.55 8.29 9.00 2dw5A1 TYR 97 HA 0.09 0.11 0.58 -0.75 4.56 4.60 2dw5A1 TYR 97 HB2 0.05 0.09 0.06 -0.04 3.06 3.22 2dw5A1 TYR 97 HB3 0.07 -0.03 -0.24 -0.04 2.98 2.74 2dw5A1 TYR 97 HD2 0.05 -0.00 -0.36 -0.04 7.15 6.79 2dw5A1 TYR 97 HE2 0.01 -0.02 -0.25 -0.04 6.85 6.55 2dw5A1 GLY 98 H 0.18 0.32 0.20 -0.55 8.43 8.59 2dw5A1 GLY 98 HA2 0.04 0.16 0.59 -0.51 4.01 4.29 2dw5A1 GLY 98 HA3 0.05 0.04 0.40 -0.51 4.01 3.99 2dw5A1 PRO 99 HA 0.06 0.07 0.35 -0.51 4.44 4.42 2dw5A1 PRO 99 HB2 0.03 -0.01 0.05 -0.04 2.28 2.32 2dw5A1 PRO 99 HB3 0.03 0.02 0.08 -0.04 2.02 2.11 2dw5A1 PRO 99 HG2 0.02 0.04 0.09 -0.04 2.03 2.15 2dw5A1 PRO 99 HG3 0.03 0.05 0.10 -0.04 2.03 2.17 2dw5A1 PRO 99 HD2 0.03 0.13 0.23 -0.04 3.68 4.03 2dw5A1 PRO 99 HD3 0.03 0.18 0.22 -0.04 3.65 4.03 2dw5A1 LYS 100 H 0.05 0.06 -0.25 -0.55 8.42 7.72 2dw5A1 LYS 100 HA 0.03 0.23 0.84 -0.75 4.32 4.67 2dw5A1 LYS 100 HB2 0.02 -0.02 0.00 -0.04 1.87 1.84 2dw5A1 LYS 100 HB3 0.02 -0.01 0.17 -0.04 1.79 1.93 2dw5A1 LYS 100 HG2 0.02 0.06 -0.04 -0.04 1.46 1.46 2dw5A1 LYS 100 HG3 0.02 -0.07 -0.38 -0.04 1.46 0.99 2dw5A1 LYS 100 HD2 0.02 -0.02 -0.04 -0.04 1.69 1.61 2dw5A1 LYS 100 HD3 0.01 -0.01 -0.00 -0.04 1.68 1.65 2dw5A1 LYS 100 HE2 0.01 0.02 -0.04 -0.04 2.99 2.93 2dw5A1 LYS 100 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.91 2dw5A1 THR 101 H 0.07 0.37 -0.14 -0.55 8.28 8.03 2dw5A1 THR 101 HA 0.05 0.19 0.74 -0.75 4.39 4.62 2dw5A1 THR 101 HB 0.10 -0.19 0.09 -0.04 4.32 4.28 2dw5A1 THR 101 HG23 0.06 0.08 -0.07 -0.04 1.22 1.25 2dw5A1 PRO 102 HA 0.04 0.09 0.62 -0.51 4.44 4.69 2dw5A1 PRO 102 HB2 0.04 0.02 0.02 -0.04 2.28 2.32 2dw5A1 PRO 102 HB3 0.03 0.01 0.09 -0.04 2.02 2.10 2dw5A1 PRO 102 HG2 0.02 -0.01 0.08 -0.04 2.03 2.09 2dw5A1 PRO 102 HG3 0.02 0.02 0.05 -0.04 2.03 2.09 2dw5A1 PRO 102 HD2 0.04 0.05 0.23 -0.04 3.68 3.96 2dw5A1 PRO 102 HD3 0.03 0.28 0.21 -0.04 3.65 4.13 2dw5A1 PRO 103 HA 0.18 0.30 0.38 -0.51 4.44 4.79 2dw5A1 PRO 103 HB2 0.04 -0.05 -0.04 -0.04 2.28 2.19 2dw5A1 PRO 103 HB3 0.09 0.02 -0.08 -0.04 2.02 2.00 2dw5A1 PRO 103 HG2 -0.05 -0.02 0.03 -0.04 2.03 1.95 2dw5A1 PRO 103 HG3 -0.06 0.07 0.04 -0.04 2.03 2.04 2dw5A1 PRO 103 HD2 0.02 0.04 0.16 -0.04 3.68 3.85 2dw5A1 PRO 103 HD3 0.02 0.11 0.26 -0.04 3.65 3.99 2dw5A1 VAL 104 H 0.20 0.69 0.37 -0.55 8.24 8.96 2dw5A1 VAL 104 HA 0.10 0.10 0.94 -0.75 4.13 4.51 2dw5A1 VAL 104 HB 0.10 -0.00 0.05 -0.04 2.12 2.23 2dw5A1 VAL 104 HG13 0.07 0.05 -0.07 -0.04 0.97 0.98 2dw5A1 VAL 104 HG23 0.18 0.02 0.11 -0.04 0.95 1.21 2dw5A1 LYS 105 H 0.09 0.15 0.19 -0.55 8.42 8.29 2dw5A1 LYS 105 HA 0.08 0.37 0.90 -0.75 4.32 4.91 2dw5A1 LYS 105 HB2 0.04 -0.03 0.09 -0.04 1.87 1.93 2dw5A1 LYS 105 HB3 0.02 0.01 -0.08 -0.04 1.79 1.70 2dw5A1 LYS 105 HG2 0.03 0.00 -0.17 -0.04 1.46 1.28 2dw5A1 LYS 105 HG3 0.05 -0.02 -0.23 -0.04 1.46 1.23 2dw5A1 LYS 105 HD2 0.03 -0.00 -0.03 -0.04 1.69 1.65 2dw5A1 LYS 105 HD3 0.01 -0.02 -0.08 -0.04 1.68 1.55 2dw5A1 LYS 105 HE2 0.01 -0.04 -0.07 -0.04 2.99 2.85 2dw5A1 LYS 105 HE3 0.02 0.03 -0.11 -0.04 2.99 2.88 2dw5A1 ALA 106 H 0.05 0.70 0.40 -0.55 8.40 9.01 2dw5A1 ALA 106 HA 0.07 0.22 0.66 -0.75 4.34 4.54 2dw5A1 ALA 106 HB3 0.14 -0.02 -0.14 -0.04 1.41 1.36 2dw5A1 LEU 107 H -0.00 0.27 0.08 -0.55 8.37 8.17 2dw5A1 LEU 107 HA -0.16 0.30 1.10 -0.75 4.35 4.84 2dw5A1 LEU 107 HB2 -0.05 -0.04 0.16 -0.04 1.64 1.67 2dw5A1 LEU 107 HB3 -0.43 0.02 -0.01 -0.04 1.64 1.18 2dw5A1 LEU 107 HG -0.01 0.03 -0.18 -0.04 1.64 1.44 2dw5A1 LEU 107 HD13 0.06 -0.00 -0.03 -0.04 0.93 0.92 2dw5A1 LEU 107 HD23 -0.09 0.03 -0.13 -0.04 0.89 0.66 2dw5A1 LEU 108 H -0.23 0.86 0.38 -0.55 8.37 8.84 2dw5A1 LEU 108 HA -0.13 0.29 1.05 -0.75 4.35 4.80 2dw5A1 LEU 108 HB2 -0.08 -0.01 -0.10 -0.04 1.64 1.41 2dw5A1 LEU 108 HB3 -0.12 -0.08 0.10 -0.04 1.64 1.51 2dw5A1 LEU 108 HG -0.06 -0.05 -0.38 -0.04 1.64 1.11 2dw5A1 LEU 108 HD13 -0.02 0.07 -0.20 -0.04 0.93 0.74 2dw5A1 LEU 108 HD23 -0.05 -0.01 -0.21 -0.04 0.89 0.58 2dw5A1 TYR 109 H -0.12 0.77 0.34 -0.55 8.29 8.74 2dw5A1 TYR 109 HA -0.10 0.25 1.13 -0.75 4.56 5.09 2dw5A1 TYR 109 HB2 -0.60 -0.04 0.25 -0.04 3.06 2.64 2dw5A1 TYR 109 HB3 -0.15 -0.02 0.16 -0.04 2.98 2.93 2dw5A1 TYR 109 HD2 -0.30 0.16 0.01 -0.04 7.15 6.98 2dw5A1 TYR 109 HE2 -0.03 -0.01 -0.04 -0.04 6.85 6.73 2dw5A1 LEU 110 H 0.02 0.60 0.18 -0.55 8.37 8.62 2dw5A1 LEU 110 HA 0.02 0.37 0.91 -0.75 4.35 4.90 2dw5A1 LEU 110 HB2 -0.02 -0.04 -0.13 -0.04 1.64 1.41 2dw5A1 LEU 110 HB3 -0.02 -0.03 -0.19 -0.04 1.64 1.36 2dw5A1 LEU 110 HG -0.02 0.01 -0.26 -0.04 1.64 1.33 2dw5A1 LEU 110 HD13 -0.00 0.03 -0.33 -0.04 0.93 0.58 2dw5A1 LEU 110 HD23 -0.05 -0.00 -0.33 -0.04 0.89 0.47 2dw5A1 THR 111 H 0.02 0.61 0.34 -0.55 8.28 8.70 2dw5A1 THR 111 HA -0.01 0.06 0.80 -0.75 4.39 4.49 2dw5A1 THR 111 HB 0.04 0.05 0.19 -0.04 4.32 4.56 2dw5A1 THR 111 HG23 -0.03 0.03 -0.13 -0.04 1.22 1.05 2dw5A1 ALA 112 H -0.07 0.12 0.11 -0.55 8.40 8.01 2dw5A1 ALA 112 HA -0.11 0.36 0.88 -0.75 4.34 4.71 2dw5A1 ALA 112 HB3 -0.08 -0.00 0.01 -0.04 1.41 1.31 2dw5A1 VAL 113 H -0.20 0.64 0.38 -0.55 8.24 8.50 2dw5A1 VAL 113 HA -0.25 0.23 0.93 -0.75 4.13 4.28 2dw5A1 VAL 113 HB -0.46 0.10 0.06 -0.04 2.12 1.78 2dw5A1 VAL 113 HG13 -1.09 -0.03 -0.20 -0.04 0.97 -0.39 2dw5A1 VAL 113 HG23 -0.35 -0.01 -0.24 -0.04 0.95 0.31 2dw5A1 GLU 114 H -0.16 0.71 0.36 -0.55 8.60 8.97 2dw5A1 GLU 114 HA -0.12 0.13 0.82 -0.75 4.29 4.37 2dw5A1 GLU 114 HB2 -0.07 0.03 0.24 -0.04 2.09 2.25 2dw5A1 GLU 114 HB3 -0.04 -0.01 0.01 -0.04 1.99 1.92 2dw5A1 GLU 114 HG2 -0.05 0.08 -0.01 -0.04 2.34 2.32 2dw5A1 GLU 114 HG3 -0.06 -0.03 -0.05 -0.04 2.34 2.15 2dw5A1 ILE 115 H -0.15 0.26 0.06 -0.55 8.25 7.87 2dw5A1 ILE 115 HA 0.04 0.26 0.82 -0.75 4.18 4.54 2dw5A1 ILE 115 HB -0.20 0.01 0.12 -0.04 1.89 1.78 2dw5A1 ILE 115 HG12 -0.18 -0.09 -0.40 -0.04 1.49 0.77 2dw5A1 ILE 115 HG13 -0.02 -0.02 -0.15 -0.04 1.21 0.98 2dw5A1 ILE 115 HG23 0.24 -0.01 -0.21 -0.04 0.93 0.92 2dw5A1 ILE 115 HD13 0.12 0.06 -0.08 -0.04 0.88 0.93 2dw5A1 SER 116 H 0.05 0.73 0.18 -0.55 8.46 8.87 2dw5A1 SER 116 HA 0.11 0.23 1.17 -0.75 4.49 5.24 2dw5A1 SER 116 HB2 0.03 0.03 -0.11 -0.04 3.95 3.86 2dw5A1 SER 116 HB3 0.03 0.07 -0.03 -0.04 3.93 3.96 2dw5A1 LEU 117 H 0.08 0.23 0.12 -0.55 8.37 8.25 2dw5A1 LEU 117 HA 0.07 0.20 0.81 -0.75 4.35 4.68 2dw5A1 LEU 117 HB2 0.05 -0.04 0.02 -0.04 1.64 1.62 2dw5A1 LEU 117 HB3 0.00 0.04 -0.08 -0.04 1.64 1.55 2dw5A1 LEU 117 HG 0.03 -0.05 -0.14 -0.04 1.64 1.44 2dw5A1 LEU 117 HD13 -0.04 -0.00 -0.23 -0.04 0.93 0.61 2dw5A1 LEU 117 HD23 0.02 0.02 -0.17 -0.04 0.89 0.72 2dw5A1 CYS 118 H 0.04 0.89 0.40 -0.55 8.50 9.28 2dw5A1 CYS 118 HA -0.02 0.20 1.03 -0.75 4.58 5.04 2dw5A1 CYS 118 HB2 0.01 -0.07 0.08 -0.04 2.97 2.95 2dw5A1 CYS 118 HB3 -0.02 0.01 0.06 -0.04 2.97 2.98 2dw5A1 ALA 119 H -0.06 0.29 0.30 -0.55 8.40 8.38 2dw5A1 ALA 119 HA 0.01 0.28 0.63 -0.75 4.34 4.50 2dw5A1 ALA 119 HB3 -0.10 0.02 -0.01 -0.04 1.41 1.27 2dw5A1 ASP 120 H -0.02 0.30 0.12 -0.55 8.40 8.25 2dw5A1 ASP 120 HA -0.08 0.08 0.68 -0.75 4.63 4.56 2dw5A1 ASP 120 HB2 -0.04 0.12 0.09 -0.04 2.71 2.84 2dw5A1 ASP 120 HB3 -0.04 0.10 0.28 -0.04 2.70 2.99 2dw5A1 ILE 121 H -0.13 0.49 -0.12 -0.55 8.25 7.94 2dw5A1 ILE 121 HA -0.24 0.05 0.05 -0.75 4.18 3.29 2dw5A1 ILE 121 HB -0.21 0.04 0.06 -0.04 1.89 1.74 2dw5A1 ILE 121 HG12 -0.11 0.00 -0.36 -0.04 1.49 0.98 2dw5A1 ILE 121 HG13 -0.14 0.04 -1.33 -0.04 1.21 -0.26 2dw5A1 ILE 121 HG23 -0.17 0.01 -0.02 -0.04 0.93 0.70 2dw5A1 ILE 121 HD13 -0.10 0.03 0.18 -0.04 0.88 0.95 2dw5A1 THR 122 H -0.15 -0.05 -0.15 -0.55 8.28 7.39 2dw5A1 THR 122 HA -0.20 0.36 0.84 -0.75 4.39 4.63 2dw5A1 THR 122 HB -0.10 0.12 0.16 -0.04 4.32 4.46 2dw5A1 THR 122 HG23 -0.10 0.00 0.33 -0.04 1.22 1.41 2dw5A1 ARG 123 H -0.22 0.17 -0.37 -0.55 8.46 7.49 2dw5A1 ARG 123 HA -0.33 -0.05 0.37 -0.75 4.34 3.58 2dw5A1 ARG 123 HB2 -0.34 0.20 -0.06 -0.04 1.90 1.66 2dw5A1 ARG 123 HB3 -1.04 -0.07 0.15 -0.04 1.80 0.80 2dw5A1 ARG 123 HG2 -1.01 -0.03 -0.01 -0.04 1.67 0.59 2dw5A1 ARG 123 HG3 -0.51 -0.02 -0.33 -0.04 1.67 0.77 2dw5A1 ARG 123 HD2 -0.41 0.08 -0.25 -0.04 3.22 2.61 2dw5A1 ARG 123 HD3 -1.00 -0.11 -0.14 -0.04 3.22 1.93 2dw5A1 THR 124 H -0.09 -0.14 -0.06 -0.55 8.28 7.43 2dw5A1 THR 124 HA 0.01 0.34 0.89 -0.75 4.39 4.86 2dw5A1 THR 124 HB -0.01 0.07 0.11 -0.04 4.32 4.44 2dw5A1 THR 124 HG23 -0.04 0.06 -0.15 -0.04 1.22 1.05 2dw5A1 GLY 125 H -0.03 -0.01 -0.04 -0.55 8.43 7.81 2dw5A1 GLY 125 HA2 0.05 -0.03 0.26 -0.51 4.01 3.77 2dw5A1 GLY 125 HA3 0.04 0.28 0.65 -0.51 4.01 4.47 2dw5A1 LYS 126 H -0.03 -0.16 -0.29 -0.55 8.42 7.39 2dw5A1 LYS 126 HA -0.03 0.01 0.10 -0.75 4.32 3.64 2dw5A1 LYS 126 HB2 -0.01 0.25 -0.01 -0.04 1.87 2.06 2dw5A1 LYS 126 HB3 -0.02 0.03 0.06 -0.04 1.79 1.82 2dw5A1 LYS 126 HG2 -0.04 -0.02 -0.03 -0.04 1.46 1.34 2dw5A1 LYS 126 HG3 -0.03 -0.10 -0.15 -0.04 1.46 1.13 2dw5A1 LYS 126 HD2 -0.03 0.06 -0.09 -0.04 1.69 1.59 2dw5A1 LYS 126 HD3 -0.03 0.01 -0.08 -0.04 1.68 1.54 2dw5A1 LYS 126 HE2 -0.03 0.02 -0.41 -0.04 2.99 2.52 2dw5A1 LYS 126 HE3 -0.03 0.02 -0.21 -0.04 2.99 2.73 2dw5A1 GLN 136 HA -0.03 -0.07 0.22 -0.75 4.36 3.73 2dw5A1 GLN 136 HB2 -0.07 0.08 0.03 -0.04 2.15 2.15 2dw5A1 GLN 136 HB3 -0.03 -0.11 0.06 -0.04 2.02 1.90 2dw5A1 GLN 136 HG2 -0.03 -0.03 0.06 -0.04 2.40 2.36 2dw5A1 GLN 136 HG3 -0.05 0.03 0.05 -0.04 2.39 2.37 2dw5A1 GLN 136 HE21 -0.02 0.01 0.01 -0.04 6.97 6.93 2dw5A1 GLN 136 HE22 -0.03 -0.01 0.02 -0.04 7.69 7.62 2dw5A1 ARG 137 H -0.02 0.07 0.10 -0.55 8.46 8.07 2dw5A1 ARG 137 HA -0.03 0.17 0.55 -0.75 4.34 4.28 2dw5A1 ARG 137 HB2 -0.01 -0.03 0.09 -0.04 1.90 1.92 2dw5A1 ARG 137 HB3 -0.01 -0.03 0.08 -0.04 1.80 1.81 2dw5A1 ARG 137 HG2 -0.03 0.01 0.04 -0.04 1.67 1.66 2dw5A1 ARG 137 HG3 -0.02 0.01 -0.05 -0.04 1.67 1.58 2dw5A1 ARG 137 HD2 -0.01 -0.03 0.02 -0.04 3.22 3.16 2dw5A1 ARG 137 HD3 -0.02 0.03 0.03 -0.04 3.22 3.22 2dw5A1 THR 138 H -0.02 0.17 -0.30 -0.55 8.28 7.58 2dw5A1 THR 138 HA 0.05 0.12 0.68 -0.75 4.39 4.50 2dw5A1 THR 138 HB 0.07 0.02 0.00 -0.04 4.32 4.38 2dw5A1 THR 138 HG23 0.02 -0.03 -0.15 -0.04 1.22 1.02 2dw5A1 TRP 139 H 0.22 0.09 0.12 -0.55 7.97 7.84 2dw5A1 TRP 139 HA -0.12 0.30 0.89 -0.75 4.62 4.94 2dw5A1 TRP 139 HB2 -0.09 -0.09 0.00 -0.04 3.23 3.02 2dw5A1 TRP 139 HB3 -0.09 -0.05 0.06 -0.04 3.23 3.11 2dw5A1 TRP 139 HD1 -0.16 0.09 -0.11 -0.04 7.22 7.00 2dw5A1 TRP 139 HE1 -0.19 0.22 -0.40 -0.04 10.20 9.78 2dw5A1 TRP 139 HE3 -0.40 -0.12 -0.55 -0.04 7.59 6.48 2dw5A1 TRP 139 HZ2 -0.43 -0.05 -0.13 -0.04 7.44 6.80 2dw5A1 TRP 139 HZ3 -2.30 -0.08 -0.17 -0.04 7.13 4.54 2dw5A1 TRP 139 HH2 -0.92 -0.04 -0.01 -0.04 7.19 6.18 2dw5A1 THR 140 H -0.60 0.85 0.42 -0.55 8.28 8.40 2dw5A1 THR 140 HA 0.18 0.12 1.13 -0.75 4.39 5.06 2dw5A1 THR 140 HB 0.01 0.06 0.06 -0.04 4.32 4.41 2dw5A1 THR 140 HG23 0.01 -0.01 -0.25 -0.04 1.22 0.93 2dw5A1 TRP 141 H 0.50 0.03 0.17 -0.55 7.97 8.12 2dw5A1 TRP 141 HA 0.18 0.15 0.53 -0.75 4.62 4.72 2dw5A1 TRP 141 HB2 0.16 -0.16 0.15 -0.04 3.23 3.34 2dw5A1 TRP 141 HB3 0.20 0.43 0.23 -0.04 3.23 4.05 2dw5A1 TRP 141 HD1 0.29 -0.06 0.09 -0.04 7.22 7.50 2dw5A1 TRP 141 HE1 0.16 -0.02 0.01 -0.04 10.20 10.30 2dw5A1 TRP 141 HE3 0.36 0.36 0.13 -0.04 7.59 8.40 2dw5A1 TRP 141 HZ2 0.05 0.01 0.02 -0.04 7.44 7.48 2dw5A1 TRP 141 HZ3 0.74 0.12 -0.04 -0.04 7.13 7.91 2dw5A1 TRP 141 HH2 0.32 -0.04 0.01 -0.04 7.19 7.44 2dw5A1 GLY 142 H 0.28 0.80 0.41 -0.55 8.43 9.38 2dw5A1 GLY 142 HA2 0.17 0.11 0.12 -0.51 4.01 3.89 2dw5A1 GLY 142 HA3 0.13 0.02 0.34 -0.51 4.01 3.99 2dw5A1 PRO 143 HA -0.01 0.11 0.39 -0.51 4.44 4.41 2dw5A1 PRO 143 HB2 -0.01 -0.00 -0.01 -0.04 2.28 2.21 2dw5A1 PRO 143 HB3 -0.04 0.01 0.14 -0.04 2.02 2.09 2dw5A1 PRO 143 HG2 0.01 -0.01 0.10 -0.04 2.03 2.09 2dw5A1 PRO 143 HG3 -0.01 0.09 0.15 -0.04 2.03 2.22 2dw5A1 PRO 143 HD2 0.04 0.04 0.17 -0.04 3.68 3.88 2dw5A1 PRO 143 HD3 0.07 0.33 0.24 -0.04 3.65 4.24 2dw5A1 CYS 144 H -0.01 0.08 -0.22 -0.55 8.50 7.80 2dw5A1 CYS 144 HA -0.05 0.20 0.88 -0.75 4.58 4.86 2dw5A1 CYS 144 HB2 -0.02 0.00 0.03 -0.04 2.97 2.95 2dw5A1 CYS 144 HB3 -0.03 -0.03 0.18 -0.04 2.97 3.05 2dw5A1 GLY 145 H -0.08 0.48 -0.39 -0.55 8.43 7.89 2dw5A1 GLY 145 HA2 -0.14 -0.02 0.54 -0.51 4.01 3.88 2dw5A1 GLY 145 HA3 -0.21 0.28 0.03 -0.51 4.01 3.59 2dw5A1 GLN 146 H -0.43 0.13 0.33 -0.55 8.47 7.95 2dw5A1 GLN 146 HA -0.39 0.28 0.91 -0.75 4.36 4.40 2dw5A1 GLN 146 HB2 -0.22 -0.06 0.02 -0.04 2.15 1.85 2dw5A1 GLN 146 HB3 -0.27 0.01 -0.05 -0.04 2.02 1.67 2dw5A1 GLN 146 HG2 -0.21 -0.04 0.02 -0.04 2.40 2.13 2dw5A1 GLN 146 HG3 -0.17 0.07 -0.08 -0.04 2.39 2.16 2dw5A1 GLN 146 HE21 -0.09 0.20 0.06 -0.04 6.97 7.10 2dw5A1 GLN 146 HE22 -0.13 -0.04 0.01 -0.04 7.69 7.49 2dw5A1 GLY 147 H -0.44 0.51 0.31 -0.55 8.43 8.25 2dw5A1 GLY 147 HA2 -0.34 -0.07 0.50 -0.51 4.01 3.59 2dw5A1 GLY 147 HA3 -1.41 0.12 0.83 -0.51 4.01 3.04 2dw5A1 ALA 148 H -0.15 0.18 0.19 -0.55 8.40 8.07 2dw5A1 ALA 148 HA -0.13 0.25 0.52 -0.75 4.34 4.23 2dw5A1 ALA 148 HB3 -0.22 -0.05 -0.09 -0.04 1.41 1.01 2dw5A1 ILE 149 H 0.08 0.11 0.26 -0.55 8.25 8.14 2dw5A1 ILE 149 HA 0.28 0.30 1.11 -0.75 4.18 5.12 2dw5A1 ILE 149 HB -0.03 -0.13 0.20 -0.04 1.89 1.89 2dw5A1 ILE 149 HG12 0.22 0.04 0.02 -0.04 1.49 1.73 2dw5A1 ILE 149 HG13 0.21 0.10 -0.25 -0.04 1.21 1.23 2dw5A1 ILE 149 HG23 0.42 0.04 -0.08 -0.04 0.93 1.26 2dw5A1 ILE 149 HD13 -1.12 -0.02 0.03 -0.04 0.88 -0.26 2dw5A1 LEU 150 H 0.20 0.70 0.29 -0.55 8.37 9.02 2dw5A1 LEU 150 HA 0.12 0.15 0.89 -0.75 4.35 4.75 2dw5A1 LEU 150 HB2 0.09 -0.00 -0.18 -0.04 1.64 1.51 2dw5A1 LEU 150 HB3 0.01 -0.00 -0.27 -0.04 1.64 1.33 2dw5A1 LEU 150 HG -0.54 -0.02 -0.25 -0.04 1.64 0.79 2dw5A1 LEU 150 HD13 -0.13 -0.01 -0.25 -0.04 0.93 0.51 2dw5A1 LEU 150 HD23 -0.12 -0.02 -0.26 -0.04 0.89 0.45 2dw5A1 LEU 151 H 0.13 0.25 0.19 -0.55 8.37 8.39 2dw5A1 LEU 151 HA 0.04 0.11 0.76 -0.75 4.35 4.50 2dw5A1 LEU 151 HB2 0.11 0.15 0.06 -0.04 1.64 1.92 2dw5A1 LEU 151 HB3 0.07 0.06 -0.08 -0.04 1.64 1.64 2dw5A1 LEU 151 HG 0.10 -0.04 -0.06 -0.04 1.64 1.59 2dw5A1 LEU 151 HD13 0.01 0.07 -0.10 -0.04 0.93 0.87 2dw5A1 LEU 151 HD23 0.14 -0.01 -0.28 -0.04 0.89 0.71 2dw5A1 VAL 152 H -0.21 0.21 0.12 -0.55 8.24 7.81 2dw5A1 VAL 152 HA -0.12 0.08 0.50 -0.75 4.13 3.83 2dw5A1 VAL 152 HB -0.56 -0.02 -0.04 -0.04 2.12 1.46 2dw5A1 VAL 152 HG13 -0.12 -0.03 -0.42 -0.04 0.97 0.36 2dw5A1 VAL 152 HG23 -0.92 0.03 -0.23 -0.04 0.95 -0.21 2dw5A1 ASN 153 H -0.01 0.64 0.18 -0.55 8.53 8.80 2dw5A1 ASN 153 HA 0.06 0.11 0.45 -0.75 4.76 4.63 2dw5A1 ASN 153 HB2 0.05 0.07 0.04 -0.04 2.88 2.99 2dw5A1 ASN 153 HB3 0.05 0.01 0.16 -0.04 2.79 2.97 2dw5A1 ASN 153 HD21 0.02 -0.07 -0.09 -0.04 7.03 6.85 2dw5A1 ASN 153 HD22 0.06 0.05 -0.12 -0.04 7.74 7.70 2dw5A1 CYS 154 H 0.10 0.48 -0.05 -0.55 8.50 8.49 2dw5A1 CYS 154 HA 0.12 0.07 0.23 -0.75 4.58 4.24 2dw5A1 CYS 154 HB2 0.25 0.24 0.26 -0.04 2.97 3.67 2dw5A1 CYS 154 HB3 0.18 -0.04 -0.11 -0.04 2.97 2.96 2dw5A1 ASP 155 H 0.11 0.04 -0.23 -0.55 8.40 7.77 2dw5A1 ASP 155 HA 0.16 0.38 0.82 -0.75 4.63 5.24 2dw5A1 ASP 155 HB2 0.15 0.10 -0.03 -0.04 2.71 2.89 2dw5A1 ASP 155 HB3 0.15 0.04 -0.17 -0.04 2.70 2.67 2dw5A1 ARG 156 H 0.09 0.58 -0.05 -0.55 8.46 8.54 2dw5A1 ARG 156 HA 0.03 0.02 0.86 -0.75 4.34 4.50 2dw5A1 ARG 156 HB2 0.02 0.05 -0.34 -0.04 1.90 1.59 2dw5A1 ARG 156 HB3 0.03 0.02 -0.04 -0.04 1.80 1.77 2dw5A1 ARG 156 HG2 0.00 0.03 -0.17 -0.04 1.67 1.49 2dw5A1 ARG 156 HG3 0.00 -0.00 -0.09 -0.04 1.67 1.53 2dw5A1 ARG 156 HD2 -0.02 -0.14 -0.62 -0.04 3.22 2.40 2dw5A1 ARG 156 HD3 -0.03 0.01 -0.48 -0.04 3.22 2.68 2dw5A1 ASP 157 H 0.03 0.13 -0.03 -0.55 8.40 7.98 2dw5A1 ASP 157 HA 0.03 0.14 0.60 -0.75 4.63 4.65 2dw5A1 ASP 157 HB2 0.00 -0.05 -0.01 -0.04 2.71 2.62 2dw5A1 ASP 157 HB3 0.01 -0.03 -0.00 -0.04 2.70 2.63 2dw5A1 ASN 158 H 0.00 0.04 -0.19 -0.55 8.53 7.84 2dw5A1 ASN 158 HA -0.01 0.00 0.37 -0.75 4.76 4.37 2dw5A1 ASN 158 HB2 -0.01 -0.08 0.02 -0.04 2.88 2.77 2dw5A1 ASN 158 HB3 -0.01 0.06 -0.02 -0.04 2.79 2.78 2dw5A1 ASN 158 HD21 -0.02 0.05 -0.04 -0.04 7.03 6.99 2dw5A1 ASN 158 HD22 -0.02 -0.11 -0.07 -0.04 7.74 7.49 2dw5A1 LEU 159 H -0.01 0.07 0.14 -0.55 8.37 8.02 2dw5A1 LEU 159 HA -0.00 0.10 0.50 -0.75 4.35 4.19 2dw5A1 LEU 159 HB2 -0.01 0.03 -0.02 -0.04 1.64 1.61 2dw5A1 LEU 159 HB3 -0.00 0.03 0.13 -0.04 1.64 1.75 2dw5A1 LEU 159 HG -0.01 0.01 0.02 -0.04 1.64 1.62 2dw5A1 LEU 159 HD13 -0.01 0.00 0.06 -0.04 0.93 0.95 2dw5A1 LEU 159 HD23 -0.01 -0.02 0.07 -0.04 0.89 0.88 2dw5A1 GLU 160 H -0.01 0.21 0.20 -0.55 8.60 8.45 2dw5A1 GLU 160 HA -0.01 0.09 0.31 -0.75 4.29 3.92 2dw5A1 GLU 160 HB2 -0.01 -0.08 -0.49 -0.04 2.09 1.47 2dw5A1 GLU 160 HB3 -0.01 0.00 0.07 -0.04 1.99 2.02 2dw5A1 GLU 160 HG2 -0.01 -0.04 -0.01 -0.04 2.34 2.23 2dw5A1 GLU 160 HG3 -0.01 0.01 0.04 -0.04 2.34 2.35 2dw5A1 SER 161 H -0.01 0.18 -0.63 -0.55 8.46 7.45 2dw5A1 SER 161 HA -0.02 0.10 0.77 -0.75 4.49 4.58 2dw5A1 SER 161 HB2 -0.01 0.00 -0.09 -0.04 3.95 3.81 2dw5A1 SER 161 HB3 -0.02 0.08 -0.08 -0.04 3.93 3.88 2dw5A1 SER 162 H -0.03 0.06 0.09 -0.55 8.46 8.04 2dw5A1 SER 162 HA -0.05 0.29 0.75 -0.75 4.49 4.73 2dw5A1 SER 162 HB2 -0.05 -0.05 -0.00 -0.04 3.95 3.81 2dw5A1 SER 162 HB3 -0.06 0.03 0.06 -0.04 3.93 3.92 2dw5A1 ALA 163 H -0.03 -0.06 -0.05 -0.55 8.40 7.71 2dw5A1 ALA 163 HA -0.05 0.12 0.46 -0.75 4.34 4.11 2dw5A1 ALA 163 HB3 -0.02 -0.00 0.00 -0.04 1.41 1.35 2dw5A1 MET 164 H -0.02 0.11 0.09 -0.55 8.47 8.10 2dw5A1 MET 164 HA 0.03 0.21 0.44 -0.75 4.52 4.45 2dw5A1 MET 164 HB2 0.05 -0.08 0.03 -0.04 2.15 2.10 2dw5A1 MET 164 HB3 0.08 0.05 0.09 -0.04 2.03 2.21 2dw5A1 MET 164 HG2 0.13 0.25 0.00 -0.04 2.63 2.97 2dw5A1 MET 164 HG3 0.03 -0.06 0.05 -0.04 2.56 2.54 2dw5A1 MET 164 HE3 0.07 -0.02 -0.03 -0.04 2.10 2.08 2dw5A1 ASP 165 H 0.04 0.72 0.35 -0.55 8.40 8.96 2dw5A1 ASP 165 HA 0.01 -0.02 0.29 -0.75 4.63 4.15 2dw5A1 ASP 165 HB2 0.03 0.13 0.10 -0.04 2.71 2.93 2dw5A1 ASP 165 HB3 0.00 -0.06 0.10 -0.04 2.70 2.70 2dw5A1 CYS 166 H 0.04 0.31 -0.24 -0.55 8.50 8.06 2dw5A1 CYS 166 HA 0.06 0.14 0.57 -0.75 4.58 4.59 2dw5A1 CYS 166 HB2 0.03 0.02 0.09 -0.04 2.97 3.06 2dw5A1 CYS 166 HB3 0.04 -0.06 0.11 -0.04 2.97 3.02 2dw5A1 GLU 167 H 0.02 0.40 -0.38 -0.55 8.60 8.09 2dw5A1 GLU 167 HA -0.00 0.16 0.69 -0.75 4.29 4.38 2dw5A1 GLU 167 HB2 -0.00 0.07 0.05 -0.04 2.09 2.17 2dw5A1 GLU 167 HB3 -0.01 -0.06 0.07 -0.04 1.99 1.95 2dw5A1 GLU 167 HG2 0.01 0.04 -0.02 -0.04 2.34 2.33 2dw5A1 GLU 167 HG3 0.02 -0.03 -0.11 -0.04 2.34 2.18 2dw5A1 ASP 168 H 0.01 0.20 -0.12 -0.55 8.40 7.95 2dw5A1 ASP 168 HA -0.02 0.17 0.79 -0.75 4.63 4.82 2dw5A1 ASP 168 HB2 0.00 -0.10 0.10 -0.04 2.71 2.67 2dw5A1 ASP 168 HB3 -0.00 -0.01 -0.01 -0.04 2.70 2.64 2dw5A1 ASP 169 H -0.01 0.11 0.03 -0.55 8.40 7.98 2dw5A1 ASP 169 HA 0.04 0.28 0.82 -0.75 4.63 5.01 2dw5A1 ASP 169 HB2 -0.18 -0.03 0.20 -0.04 2.71 2.66 2dw5A1 ASP 169 HB3 -0.20 0.06 -0.00 -0.04 2.70 2.52 2dw5A1 GLU 170 H 0.16 0.33 -0.28 -0.55 8.60 8.27 2dw5A1 GLU 170 HA 0.22 0.16 0.74 -0.75 4.29 4.66 2dw5A1 GLU 170 HB2 0.01 -0.07 -0.10 -0.04 2.09 1.89 2dw5A1 GLU 170 HB3 -0.01 0.08 -0.19 -0.04 1.99 1.83 2dw5A1 GLU 170 HG2 0.06 0.16 -0.05 -0.04 2.34 2.46 2dw5A1 GLU 170 HG3 0.03 -0.17 -0.51 -0.04 2.34 1.65 2dw5A1 VAL 171 H -0.35 0.30 0.05 -0.55 8.24 7.69 2dw5A1 VAL 171 HA -0.34 0.08 0.75 -0.75 4.13 3.86 2dw5A1 VAL 171 HB -0.36 0.08 0.12 -0.04 2.12 1.92 2dw5A1 VAL 171 HG13 -0.29 0.00 -0.11 -0.04 0.97 0.54 2dw5A1 VAL 171 HG23 -1.23 0.01 -0.14 -0.04 0.95 -0.45 2dw5A1 LEU 172 H -0.11 0.16 0.08 -0.55 8.37 7.96 2dw5A1 LEU 172 HA -0.06 0.17 0.39 -0.75 4.35 4.09 2dw5A1 LEU 172 HB2 -0.04 -0.04 0.06 -0.04 1.64 1.58 2dw5A1 LEU 172 HB3 -0.03 -0.02 -0.02 -0.04 1.64 1.53 2dw5A1 LEU 172 HG -0.03 0.06 -0.13 -0.04 1.64 1.50 2dw5A1 LEU 172 HD13 -0.02 -0.00 -0.03 -0.04 0.93 0.84 2dw5A1 LEU 172 HD23 -0.02 0.01 -0.08 -0.04 0.89 0.75 2dw5A1 ASP 173 H -0.09 0.08 0.02 -0.55 8.40 7.86 2dw5A1 ASP 173 HA -0.05 0.25 0.78 -0.75 4.63 4.86 2dw5A1 ASP 173 HB2 -0.04 -0.12 -0.02 -0.04 2.71 2.49 2dw5A1 ASP 173 HB3 -0.03 -0.02 0.11 -0.04 2.70 2.72 2dw5A1 SER 174 H -0.05 0.21 0.13 -0.55 8.46 8.20 2dw5A1 SER 174 HA -0.11 0.17 0.47 -0.75 4.49 4.27 2dw5A1 SER 174 HB2 -0.06 0.07 0.05 -0.04 3.95 3.97 2dw5A1 SER 174 HB3 -0.05 0.05 0.11 -0.04 3.93 3.99 2dw5A1 GLU 175 H -0.04 0.06 -0.08 -0.55 8.60 8.00 2dw5A1 GLU 175 HA -0.02 0.17 0.46 -0.75 4.29 4.14 2dw5A1 GLU 175 HB2 -0.01 -0.05 -0.00 -0.04 2.09 1.98 2dw5A1 GLU 175 HB3 0.00 0.08 -0.03 -0.04 1.99 2.01 2dw5A1 GLU 175 HG2 0.00 0.09 0.02 -0.04 2.34 2.41 2dw5A1 GLU 175 HG3 -0.01 0.05 0.03 -0.04 2.34 2.37 2dw5A1 ASP 176 H -0.06 0.08 -0.48 -0.55 8.40 7.40 2dw5A1 ASP 176 HA -0.01 0.04 0.36 -0.75 4.63 4.27 2dw5A1 ASP 176 HB2 -0.05 -0.14 0.07 -0.04 2.71 2.54 2dw5A1 ASP 176 HB3 -0.12 0.21 0.04 -0.04 2.70 2.80 2dw5A1 LEU 177 H -0.12 0.28 -0.46 -0.55 8.37 7.53 2dw5A1 LEU 177 HA -0.12 0.03 0.25 -0.75 4.35 3.76 2dw5A1 LEU 177 HB2 -0.22 0.18 0.04 -0.04 1.64 1.60 2dw5A1 LEU 177 HB3 -0.48 0.01 -0.00 -0.04 1.64 1.13 2dw5A1 LEU 177 HG -0.29 0.00 0.02 -0.04 1.64 1.32 2dw5A1 LEU 177 HD13 -0.54 0.00 -0.03 -0.04 0.93 0.33 2dw5A1 LEU 177 HD23 -0.53 -0.01 -0.11 -0.04 0.89 0.20 2dw5A1 GLN 178 H -0.01 0.32 -0.46 -0.55 8.47 7.78 2dw5A1 GLN 178 HA 0.10 0.10 0.52 -0.75 4.36 4.32 2dw5A1 GLN 178 HB2 0.05 0.11 0.08 -0.04 2.15 2.35 2dw5A1 GLN 178 HB3 0.08 0.04 0.06 -0.04 2.02 2.16 2dw5A1 GLN 178 HG2 0.04 0.01 0.04 -0.04 2.40 2.45 2dw5A1 GLN 178 HG3 0.01 -0.07 0.06 -0.04 2.39 2.35 2dw5A1 GLN 178 HE21 0.01 -0.04 0.02 -0.04 6.97 6.92 2dw5A1 GLN 178 HE22 0.00 -0.03 -0.01 -0.04 7.69 7.62 2dw5A1 ASP 179 H 0.07 0.32 -0.25 -0.55 8.40 7.99 2dw5A1 ASP 179 HA 0.15 0.12 0.57 -0.75 4.63 4.72 2dw5A1 ASP 179 HB2 0.07 0.08 0.01 -0.04 2.71 2.83 2dw5A1 ASP 179 HB3 0.10 -0.04 -0.00 -0.04 2.70 2.71 2dw5A1 MET 180 H 0.12 0.16 -0.53 -0.55 8.47 7.68 2dw5A1 MET 180 HA 0.13 0.14 0.57 -0.75 4.52 4.60 2dw5A1 MET 180 HB2 0.20 0.07 -0.01 -0.04 2.15 2.37 2dw5A1 MET 180 HB3 0.19 -0.08 -0.07 -0.04 2.03 2.02 2dw5A1 MET 180 HG2 0.10 0.01 -0.25 -0.04 2.63 2.45 2dw5A1 MET 180 HG3 0.04 0.08 -0.12 -0.04 2.56 2.52 2dw5A1 MET 180 HE3 -0.10 -0.01 -0.24 -0.04 2.10 1.71 2dw5A1 SER 181 H 0.01 0.68 0.41 -0.55 8.46 9.01 2dw5A1 SER 181 HA -0.36 0.12 0.83 -0.75 4.49 4.32 2dw5A1 SER 181 HB2 -0.17 -0.06 0.12 -0.04 3.95 3.80 2dw5A1 SER 181 HB3 0.04 -0.04 0.03 -0.04 3.93 3.92 2dw5A1 LEU 182 H -0.16 0.11 0.22 -0.55 8.37 7.99 2dw5A1 LEU 182 HA -0.38 0.28 0.73 -0.75 4.35 4.23 2dw5A1 LEU 182 HB2 -0.12 0.05 0.13 -0.04 1.64 1.66 2dw5A1 LEU 182 HB3 -0.10 -0.09 0.04 -0.04 1.64 1.44 2dw5A1 LEU 182 HG -0.43 0.04 -0.01 -0.04 1.64 1.20 2dw5A1 LEU 182 HD13 -0.04 -0.01 -0.05 -0.04 0.93 0.80 2dw5A1 LEU 182 HD23 -0.16 -0.01 -0.14 -0.04 0.89 0.53 2dw5A1 MET 183 H -0.10 0.61 0.37 -0.55 8.47 8.80 2dw5A1 MET 183 HA 0.06 0.25 0.84 -0.75 4.52 4.91 2dw5A1 MET 183 HB2 0.22 -0.01 -0.14 -0.04 2.15 2.18 2dw5A1 MET 183 HB3 0.14 -0.06 0.01 -0.04 2.03 2.08 2dw5A1 MET 183 HG2 0.11 -0.02 -0.26 -0.04 2.63 2.43 2dw5A1 MET 183 HG3 0.10 0.09 -0.11 -0.04 2.56 2.61 2dw5A1 MET 183 HE3 -0.25 -0.01 -0.20 -0.04 2.10 1.60 2dw5A1 THR 184 H 0.06 0.53 0.28 -0.55 8.28 8.60 2dw5A1 THR 184 HA 0.09 0.32 1.09 -0.75 4.39 5.14 2dw5A1 THR 184 HB 0.01 -0.05 0.03 -0.04 4.32 4.26 2dw5A1 THR 184 HG23 -0.02 -0.01 -0.25 -0.04 1.22 0.90 2dw5A1 LEU 185 H 0.17 0.66 0.33 -0.55 8.37 8.98 2dw5A1 LEU 185 HA 0.13 0.27 0.88 -0.75 4.35 4.88 2dw5A1 LEU 185 HB2 0.44 0.03 0.06 -0.04 1.64 2.12 2dw5A1 LEU 185 HB3 0.21 -0.08 0.09 -0.04 1.64 1.82 2dw5A1 LEU 185 HG 0.17 -0.01 -0.13 -0.04 1.64 1.63 2dw5A1 LEU 185 HD13 0.21 -0.01 -0.18 -0.04 0.93 0.91 2dw5A1 LEU 185 HD23 0.15 0.02 -0.31 -0.04 0.89 0.71 2dw5A1 SER 186 H 0.07 0.70 0.24 -0.55 8.46 8.92 2dw5A1 SER 186 HA 0.03 0.31 1.10 -0.75 4.49 5.18 2dw5A1 SER 186 HB2 0.02 0.00 0.13 -0.04 3.95 4.06 2dw5A1 SER 186 HB3 0.02 -0.01 -0.05 -0.04 3.93 3.85 2dw5A1 THR 187 H 0.08 0.67 0.33 -0.55 8.28 8.81 2dw5A1 THR 187 HA 0.06 0.46 0.89 -0.75 4.39 5.05 2dw5A1 THR 187 HB 0.22 -0.01 -0.00 -0.04 4.32 4.49 2dw5A1 THR 187 HG23 0.18 -0.03 -0.32 -0.04 1.22 1.01 2dw5A1 LYS 188 H -0.02 0.47 0.32 -0.55 8.42 8.64 2dw5A1 LYS 188 HA 0.02 0.37 0.75 -0.75 4.32 4.71 2dw5A1 LYS 188 HB2 -0.01 0.02 0.02 -0.04 1.87 1.86 2dw5A1 LYS 188 HB3 -0.05 -0.13 0.19 -0.04 1.79 1.76 2dw5A1 LYS 188 HG2 -0.04 0.01 -0.12 -0.04 1.46 1.27 2dw5A1 LYS 188 HG3 -0.00 0.03 -0.03 -0.04 1.46 1.42 2dw5A1 LYS 188 HD2 -0.01 0.01 -0.00 -0.04 1.69 1.65 2dw5A1 LYS 188 HD3 -0.02 -0.04 -0.01 -0.04 1.68 1.57 2dw5A1 LYS 188 HE2 -0.03 -0.02 -0.07 -0.04 2.99 2.84 2dw5A1 LYS 188 HE3 -0.01 0.01 -0.07 -0.04 2.99 2.88 2dw5A1 THR 189 H -0.00 0.77 0.30 -0.55 8.28 8.81 2dw5A1 THR 189 HA -0.30 0.16 0.87 -0.75 4.39 4.38 2dw5A1 THR 189 HB -0.69 -0.03 0.11 -0.04 4.32 3.66 2dw5A1 THR 189 HG23 -0.30 -0.01 -0.26 -0.04 1.22 0.62 2dw5A1 PRO 190 HA 0.00 0.24 0.61 -0.51 4.44 4.78 2dw5A1 PRO 190 HB2 0.08 -0.12 -0.10 -0.04 2.28 2.10 2dw5A1 PRO 190 HB3 0.03 0.11 -0.08 -0.04 2.02 2.04 2dw5A1 PRO 190 HG2 0.02 -0.01 -0.17 -0.04 2.03 1.84 2dw5A1 PRO 190 HG3 -0.04 0.03 -0.46 -0.04 2.03 1.52 2dw5A1 PRO 190 HD2 -0.37 0.07 0.14 -0.04 3.68 3.47 2dw5A1 PRO 190 HD3 -0.24 0.29 0.09 -0.04 3.65 3.74 2dw5A1 LYS 191 H 0.04 0.28 0.19 -0.55 8.42 8.37 2dw5A1 LYS 191 HA 0.09 0.07 0.23 -0.75 4.32 3.94 2dw5A1 LYS 191 HB2 0.04 -0.02 0.12 -0.04 1.87 1.97 2dw5A1 LYS 191 HB3 0.05 0.05 0.03 -0.04 1.79 1.87 2dw5A1 LYS 191 HG2 0.04 0.06 0.00 -0.04 1.46 1.53 2dw5A1 LYS 191 HG3 0.03 0.01 0.13 -0.04 1.46 1.59 2dw5A1 LYS 191 HD2 0.03 -0.02 0.04 -0.04 1.69 1.70 2dw5A1 LYS 191 HD3 0.03 0.02 0.02 -0.04 1.68 1.71 2dw5A1 LYS 191 HE2 0.02 0.02 0.04 -0.04 2.99 3.02 2dw5A1 LYS 191 HE3 0.02 0.02 0.07 -0.04 2.99 3.05 2dw5A1 ASP 192 H 0.07 0.06 -0.27 -0.55 8.40 7.71 2dw5A1 ASP 192 HA 0.07 0.24 0.73 -0.75 4.63 4.92 2dw5A1 ASP 192 HB2 0.03 0.05 0.13 -0.04 2.71 2.88 2dw5A1 ASP 192 HB3 0.03 0.01 0.02 -0.04 2.70 2.73 2dw5A1 PHE 193 H 0.16 0.52 -0.42 -0.55 8.34 8.05 2dw5A1 PHE 193 HA -0.08 0.00 0.13 -0.75 4.62 3.92 2dw5A1 PHE 193 HB2 -0.20 -0.03 0.08 -0.04 3.15 2.96 2dw5A1 PHE 193 HB3 -0.50 0.08 0.01 -0.04 3.06 2.60 2dw5A1 PHE 193 HD2 -1.07 -0.01 -0.14 -0.04 7.28 6.02 2dw5A1 PHE 193 HE2 -0.48 0.01 -0.14 -0.04 7.38 6.73 2dw5A1 PHE 193 HZ -0.75 0.02 -0.13 -0.04 7.32 6.41 2dw5A1 PHE 194 H 0.19 0.14 -0.27 -0.55 8.34 7.85 2dw5A1 PHE 194 HA -0.12 0.12 0.57 -0.75 4.62 4.43 2dw5A1 PHE 194 HB2 0.03 -0.00 0.04 -0.04 3.15 3.19 2dw5A1 PHE 194 HB3 0.01 0.10 0.21 -0.04 3.06 3.34 2dw5A1 PHE 194 HD2 0.11 0.02 -0.29 -0.04 7.28 7.08 2dw5A1 PHE 194 HE2 0.19 0.03 -0.30 -0.04 7.38 7.26 2dw5A1 PHE 194 HZ 0.18 0.00 -0.21 -0.04 7.32 7.25 2dw5A1 THR 195 H 0.01 0.29 -0.47 -0.55 8.28 7.55 2dw5A1 THR 195 HA -0.01 0.09 0.67 -0.75 4.39 4.38 2dw5A1 THR 195 HB -0.03 0.30 0.14 -0.04 4.32 4.69 2dw5A1 THR 195 HG23 -0.05 -0.02 -0.15 -0.04 1.22 0.96 2dw5A1 ASN 196 H -0.18 0.31 -0.05 -0.55 8.53 8.06 2dw5A1 ASN 196 HA -0.20 0.28 0.61 -0.75 4.76 4.70 2dw5A1 ASN 196 HB2 -0.22 0.03 0.01 -0.04 2.88 2.66 2dw5A1 ASN 196 HB3 -0.33 -0.11 0.08 -0.04 2.79 2.39 2dw5A1 ASN 196 HD21 -0.06 -0.00 -0.08 -0.04 7.03 6.84 2dw5A1 ASN 196 HD22 -0.07 -0.03 -0.06 -0.04 7.74 7.54 2dw5A1 HIS 197 H -0.20 0.15 0.07 -0.55 8.41 7.88 2dw5A1 HIS 197 HA -0.14 0.20 0.88 -0.75 4.63 4.82 2dw5A1 HIS 197 HB2 -1.09 -0.04 -0.06 -0.04 3.26 2.04 2dw5A1 HIS 197 HB3 -0.20 0.02 0.03 -0.04 3.20 3.00 2dw5A1 HIS 197 HD2 -0.04 0.04 -0.18 -0.04 6.97 6.74 2dw5A1 HIS 197 HE1 -0.15 -0.06 -0.08 -0.04 7.75 7.41 2dw5A1 THR 198 H 0.12 0.53 0.29 -0.55 8.28 8.67 2dw5A1 THR 198 HA 0.23 0.19 0.77 -0.75 4.39 4.82 2dw5A1 THR 198 HB -0.06 0.10 -0.10 -0.04 4.32 4.22 2dw5A1 THR 198 HG23 -0.01 -0.03 -0.16 -0.04 1.22 0.98 2dw5A1 LEU 199 H 0.17 0.29 0.20 -0.55 8.37 8.48 2dw5A1 LEU 199 HA 0.24 0.35 1.13 -0.75 4.35 5.31 2dw5A1 LEU 199 HB2 0.13 -0.01 0.07 -0.04 1.64 1.80 2dw5A1 LEU 199 HB3 0.19 0.03 -0.09 -0.04 1.64 1.72 2dw5A1 LEU 199 HG 0.49 -0.07 -0.27 -0.04 1.64 1.74 2dw5A1 LEU 199 HD13 0.25 0.00 -0.16 -0.04 0.93 0.98 2dw5A1 LEU 199 HD23 0.28 0.03 -0.19 -0.04 0.89 0.97 2dw5A1 VAL 200 H 0.20 0.66 0.36 -0.55 8.24 8.91 2dw5A1 VAL 200 HA 0.17 0.23 1.14 -0.75 4.13 4.91 2dw5A1 VAL 200 HB 0.13 -0.02 -0.10 -0.04 2.12 2.08 2dw5A1 VAL 200 HG13 0.10 -0.01 -0.04 -0.04 0.97 0.98 2dw5A1 VAL 200 HG23 -0.00 -0.01 -0.26 -0.04 0.95 0.64 2dw5A1 LEU 201 H 0.12 0.68 0.33 -0.55 8.37 8.96 2dw5A1 LEU 201 HA 0.01 0.23 0.98 -0.75 4.35 4.82 2dw5A1 LEU 201 HB2 0.03 -0.02 0.06 -0.04 1.64 1.67 2dw5A1 LEU 201 HB3 -0.00 -0.01 -0.03 -0.04 1.64 1.55 2dw5A1 LEU 201 HG -0.36 -0.04 -0.12 -0.04 1.64 1.08 2dw5A1 LEU 201 HD13 -0.39 -0.01 -0.20 -0.04 0.93 0.29 2dw5A1 LEU 201 HD23 -0.20 0.01 -0.12 -0.04 0.89 0.53 2dw5A1 HIS 202 H -0.21 0.74 0.38 -0.55 8.41 8.78 2dw5A1 HIS 202 HA -0.00 0.21 0.64 -0.75 4.63 4.72 2dw5A1 HIS 202 HB2 -0.01 0.06 0.11 -0.04 3.26 3.38 2dw5A1 HIS 202 HB3 -0.02 -0.04 0.03 -0.04 3.20 3.12 2dw5A1 HIS 202 HD2 0.00 0.01 -0.43 -0.04 6.97 6.51 2dw5A1 HIS 202 HE1 -0.01 -0.02 -0.15 -0.04 7.75 7.53 2dw5A1 VAL 203 H 0.10 0.83 0.38 -0.55 8.24 9.00 2dw5A1 VAL 203 HA -0.00 0.20 0.89 -0.75 4.13 4.46 2dw5A1 VAL 203 HB 0.02 0.07 -0.25 -0.04 2.12 1.91 2dw5A1 VAL 203 HG13 0.00 -0.01 -0.06 -0.04 0.97 0.87 2dw5A1 VAL 203 HG23 0.01 0.01 -0.08 -0.04 0.95 0.84 2dw5A1 ALA 204 H 0.04 0.17 0.15 -0.55 8.40 8.22 2dw5A1 ALA 204 HA 0.06 0.06 0.30 -0.75 4.34 4.01 2dw5A1 ALA 204 HB3 0.04 0.00 0.13 -0.04 1.41 1.54 2dw5A1 ARG 205 H 0.02 0.14 0.23 -0.55 8.46 8.30 2dw5A1 ARG 205 HA 0.01 0.17 0.59 -0.75 4.34 4.36 2dw5A1 ARG 205 HB2 0.01 -0.07 0.12 -0.04 1.90 1.92 2dw5A1 ARG 205 HB3 0.01 0.06 0.02 -0.04 1.80 1.85 2dw5A1 ARG 205 HG2 0.02 0.08 0.10 -0.04 1.67 1.83 2dw5A1 ARG 205 HG3 0.01 -0.03 0.12 -0.04 1.67 1.73 2dw5A1 ARG 205 HD2 0.00 -0.02 0.04 -0.04 3.22 3.20 2dw5A1 ARG 205 HD3 0.01 0.01 0.03 -0.04 3.22 3.22 2dw5A1 SER 206 H 0.01 0.03 -0.10 -0.55 8.46 7.86 2dw5A1 SER 206 HA -0.00 0.09 0.48 -0.75 4.49 4.31 2dw5A1 SER 206 HB2 0.02 -0.03 0.10 -0.04 3.95 4.00 2dw5A1 SER 206 HB3 0.02 -0.05 -0.01 -0.04 3.93 3.85 2dw5A1 GLU 207 H -0.00 0.31 -0.54 -0.55 8.60 7.82 2dw5A1 GLU 207 HA -0.09 0.23 0.72 -0.75 4.29 4.40 2dw5A1 GLU 207 HB2 0.01 -0.00 0.00 -0.04 2.09 2.06 2dw5A1 GLU 207 HB3 0.00 0.01 0.00 -0.04 1.99 1.96 2dw5A1 GLU 207 HG2 0.07 0.12 -0.02 -0.04 2.34 2.47 2dw5A1 GLU 207 HG3 0.04 -0.12 -0.23 -0.04 2.34 1.99 2dw5A1 MET 208 H -0.02 0.28 -0.06 -0.55 8.47 8.13 2dw5A1 MET 208 HA -0.04 0.02 0.29 -0.75 4.52 4.05 2dw5A1 MET 208 HB2 -0.01 0.18 -0.23 -0.04 2.15 2.06 2dw5A1 MET 208 HB3 0.01 0.04 0.00 -0.04 2.03 2.04 2dw5A1 MET 208 HG2 -0.01 0.20 0.15 -0.04 2.63 2.93 2dw5A1 MET 208 HG3 -0.02 0.01 -0.14 -0.04 2.56 2.37 2dw5A1 MET 208 HE3 0.01 0.00 0.04 -0.04 2.10 2.11 2dw5A1 ASP 209 H -0.07 0.17 -0.38 -0.55 8.40 7.57 2dw5A1 ASP 209 HA -0.07 0.06 0.48 -0.75 4.63 4.34 2dw5A1 ASP 209 HB2 -0.07 -0.01 0.10 -0.04 2.71 2.69 2dw5A1 ASP 209 HB3 -0.06 -0.00 0.05 -0.04 2.70 2.65 2dw5A1 LYS 210 H -0.13 0.43 -0.50 -0.55 8.42 7.67 2dw5A1 LYS 210 HA -0.16 0.16 0.80 -0.75 4.32 4.37 2dw5A1 LYS 210 HB2 -0.33 0.17 0.01 -0.04 1.87 1.68 2dw5A1 LYS 210 HB3 -0.42 -0.07 0.08 -0.04 1.79 1.34 2dw5A1 LYS 210 HG2 -0.55 -0.00 -0.14 -0.04 1.46 0.73 2dw5A1 LYS 210 HG3 -0.32 -0.07 -0.39 -0.04 1.46 0.64 2dw5A1 LYS 210 HD2 -0.77 0.02 -0.01 -0.04 1.69 0.89 2dw5A1 LYS 210 HD3 -2.18 -0.04 -0.06 -0.04 1.68 -0.63 2dw5A1 LYS 210 HE2 -0.30 -0.04 -0.05 -0.04 2.99 2.56 2dw5A1 LYS 210 HE3 -0.24 0.00 -0.00 -0.04 2.99 2.71 2dw5A1 VAL 211 H -0.09 0.43 -0.05 -0.55 8.24 7.97 2dw5A1 VAL 211 HA -0.07 0.19 0.89 -0.75 4.13 4.39 2dw5A1 VAL 211 HB -0.05 -0.01 -0.31 -0.04 2.12 1.71 2dw5A1 VAL 211 HG13 -0.06 -0.00 -0.24 -0.04 0.97 0.63 2dw5A1 VAL 211 HG23 -0.10 0.00 -0.13 -0.04 0.95 0.68 2dw5A1 ARG 212 H -0.08 0.59 0.30 -0.55 8.46 8.72 2dw5A1 ARG 212 HA -0.19 0.24 0.58 -0.75 4.34 4.21 2dw5A1 ARG 212 HB2 -0.14 0.08 0.01 -0.04 1.90 1.80 2dw5A1 ARG 212 HB3 -0.09 -0.05 0.03 -0.04 1.80 1.65 2dw5A1 ARG 212 HG2 -0.90 -0.06 -0.16 -0.04 1.67 0.51 2dw5A1 ARG 212 HG3 -0.42 0.10 0.19 -0.04 1.67 1.49 2dw5A1 ARG 212 HD2 -0.05 0.02 -0.07 -0.04 3.22 3.08 2dw5A1 ARG 212 HD3 -0.50 -0.11 -0.08 -0.04 3.22 2.48 2dw5A1 VAL 213 H -0.31 0.71 0.30 -0.55 8.24 8.40 2dw5A1 VAL 213 HA -0.03 0.31 1.08 -0.75 4.13 4.74 2dw5A1 VAL 213 HB -0.09 -0.16 0.06 -0.04 2.12 1.89 2dw5A1 VAL 213 HG13 0.00 0.00 -0.25 -0.04 0.97 0.69 2dw5A1 VAL 213 HG23 -0.10 0.00 -0.31 -0.04 0.95 0.50 2dw5A1 PHE 214 H 0.30 0.88 0.35 -0.55 8.34 9.32 2dw5A1 PHE 214 HA 0.07 0.12 0.75 -0.75 4.62 4.81 2dw5A1 PHE 214 HB2 0.14 -0.04 -0.04 -0.04 3.15 3.17 2dw5A1 PHE 214 HB3 0.07 0.07 -0.25 -0.04 3.06 2.90 2dw5A1 PHE 214 HD2 0.02 0.06 -0.28 -0.04 7.28 7.04 2dw5A1 PHE 214 HE2 -0.03 0.08 -0.39 -0.04 7.38 7.00 2dw5A1 PHE 214 HZ -0.04 0.04 -0.35 -0.04 7.32 6.92 2dw5A1 GLN 215 H 0.21 0.67 0.27 -0.55 8.47 9.07 2dw5A1 GLN 215 HA -0.00 0.17 0.93 -0.75 4.36 4.70 2dw5A1 GLN 215 HB2 0.16 -0.02 0.07 -0.04 2.15 2.32 2dw5A1 GLN 215 HB3 0.08 -0.03 0.09 -0.04 2.02 2.12 2dw5A1 GLN 215 HG2 -0.11 0.12 -0.01 -0.04 2.40 2.35 2dw5A1 GLN 215 HG3 -0.26 -0.02 0.00 -0.04 2.39 2.08 2dw5A1 GLN 215 HE21 0.20 -0.08 0.00 -0.04 6.97 7.06 2dw5A1 GLN 215 HE22 0.23 -0.01 -0.05 -0.04 7.69 7.82 2dw5A1 ALA 216 H -0.12 0.76 0.34 -0.55 8.40 8.84 2dw5A1 ALA 216 HA 0.06 0.15 0.54 -0.75 4.34 4.33 2dw5A1 ALA 216 HB3 0.18 -0.01 -0.08 -0.04 1.41 1.45 2dw5A1 THR 217 H 0.02 0.27 0.04 -0.55 8.28 8.06 2dw5A1 THR 217 HA -0.00 0.19 0.64 -0.75 4.39 4.46 2dw5A1 THR 217 HB 0.02 0.06 0.24 -0.04 4.32 4.59 2dw5A1 THR 217 HG23 0.02 -0.01 0.07 -0.04 1.22 1.26 2dw5A1 CYS 225 HA 0.06 0.35 0.34 -0.75 4.58 4.58 2dw5A1 CYS 225 HB2 -0.04 -0.06 0.27 -0.04 2.97 3.10 2dw5A1 CYS 225 HB3 -0.06 -0.03 0.20 -0.04 2.97 3.05 2dw5A1 SER 226 H 0.15 0.32 0.26 -0.55 8.46 8.64 2dw5A1 SER 226 HA 0.29 0.14 0.95 -0.75 4.49 5.10 2dw5A1 SER 226 HB2 0.12 -0.04 0.12 -0.04 3.95 4.11 2dw5A1 SER 226 HB3 0.10 0.05 -0.11 -0.04 3.93 3.94 2dw5A1 VAL 227 H 0.06 0.17 0.19 -0.55 8.24 8.10 2dw5A1 VAL 227 HA -0.35 0.09 0.34 -0.75 4.13 3.45 2dw5A1 VAL 227 HB -0.46 0.03 -0.13 -0.04 2.12 1.52 2dw5A1 VAL 227 HG13 -0.62 0.01 -0.06 -0.04 0.97 0.26 2dw5A1 VAL 227 HG23 -0.32 -0.01 0.11 -0.04 0.95 0.69 2dw5A1 VAL 228 H -0.10 0.56 0.43 -0.55 8.24 8.58 2dw5A1 VAL 228 HA -0.14 0.17 0.91 -0.75 4.13 4.32 2dw5A1 VAL 228 HB -0.09 -0.03 -0.06 -0.04 2.12 1.90 2dw5A1 VAL 228 HG13 -0.20 0.01 -0.08 -0.04 0.97 0.66 2dw5A1 VAL 228 HG23 0.12 -0.01 -0.17 -0.04 0.95 0.85 2dw5A1 LEU 229 H -0.10 0.29 0.29 -0.55 8.37 8.30 2dw5A1 LEU 229 HA 0.15 0.36 0.93 -0.75 4.35 5.04 2dw5A1 LEU 229 HB2 -0.06 -0.11 -0.12 -0.04 1.64 1.31 2dw5A1 LEU 229 HB3 0.00 0.07 -0.06 -0.04 1.64 1.61 2dw5A1 LEU 229 HG 0.00 -0.11 -0.45 -0.04 1.64 1.04 2dw5A1 LEU 229 HD13 -0.04 -0.02 -0.34 -0.04 0.93 0.49 2dw5A1 LEU 229 HD23 0.12 0.14 -0.46 -0.04 0.89 0.65 2dw5A1 GLY 230 H 0.00 0.71 0.30 -0.55 8.43 8.90 2dw5A1 GLY 230 HA2 -0.12 0.40 0.53 -0.51 4.01 4.30 2dw5A1 GLY 230 HA3 -0.21 -0.01 0.48 -0.51 4.01 3.76 2dw5A1 PRO 231 HA -0.06 0.01 0.10 -0.51 4.44 3.98 2dw5A1 PRO 231 HB2 -0.10 -0.06 0.02 -0.04 2.28 2.10 2dw5A1 PRO 231 HB3 -0.07 -0.00 0.04 -0.04 2.02 1.95 2dw5A1 PRO 231 HG2 -0.09 0.05 0.04 -0.04 2.03 1.99 2dw5A1 PRO 231 HG3 -0.08 0.07 0.11 -0.04 2.03 2.09 2dw5A1 PRO 231 HD2 -0.17 0.00 0.21 -0.04 3.68 3.68 2dw5A1 PRO 231 HD3 -0.12 0.48 0.32 -0.04 3.65 4.29 2dw5A1 LYS 232 H -0.21 0.07 -0.25 -0.55 8.42 7.48 2dw5A1 LYS 232 HA 0.02 0.13 0.72 -0.75 4.32 4.44 2dw5A1 LYS 232 HB2 -0.50 -0.00 0.01 -0.04 1.87 1.33 2dw5A1 LYS 232 HB3 0.05 -0.01 0.02 -0.04 1.79 1.80 2dw5A1 LYS 232 HG2 -0.06 0.02 -0.10 -0.04 1.46 1.28 2dw5A1 LYS 232 HG3 -0.17 0.00 -0.03 -0.04 1.46 1.22 2dw5A1 LYS 232 HD2 -0.03 -0.01 -0.02 -0.04 1.69 1.59 2dw5A1 LYS 232 HD3 -0.02 -0.01 -0.01 -0.04 1.68 1.60 2dw5A1 LYS 232 HE2 0.05 0.04 0.04 -0.04 2.99 3.07 2dw5A1 LYS 232 HE3 0.04 -0.03 0.01 -0.04 2.99 2.96 2dw5A1 TRP 233 H 0.01 0.19 -0.25 -0.55 7.97 7.38 2dw5A1 TRP 233 HA -0.02 0.20 1.01 -0.75 4.62 5.06 2dw5A1 TRP 233 HB2 -0.02 -0.06 0.10 -0.04 3.23 3.21 2dw5A1 TRP 233 HB3 0.01 0.16 0.04 -0.04 3.23 3.41 2dw5A1 TRP 233 HD1 -0.01 0.24 -0.64 -0.04 7.22 6.78 2dw5A1 TRP 233 HE1 0.01 -0.03 -0.07 -0.04 10.20 10.06 2dw5A1 TRP 233 HE3 0.02 0.34 -0.16 -0.04 7.59 7.75 2dw5A1 TRP 233 HZ2 0.03 -0.05 -0.02 -0.04 7.44 7.36 2dw5A1 TRP 233 HZ3 -0.02 0.25 0.05 -0.04 7.13 7.37 2dw5A1 TRP 233 HH2 0.06 -0.03 0.01 -0.04 7.19 7.18 2dw5A1 PRO 234 HA 0.08 0.11 0.71 -0.51 4.44 4.82 2dw5A1 PRO 234 HB2 0.05 0.03 0.08 -0.04 2.28 2.40 2dw5A1 PRO 234 HB3 0.04 0.00 0.06 -0.04 2.02 2.09 2dw5A1 PRO 234 HG2 0.02 -0.01 0.04 -0.04 2.03 2.04 2dw5A1 PRO 234 HG3 0.03 -0.01 0.08 -0.04 2.03 2.09 2dw5A1 PRO 234 HD2 0.09 0.09 0.29 -0.04 3.68 4.10 2dw5A1 PRO 234 HD3 0.11 0.24 0.12 -0.04 3.65 4.09 2dw5A1 SER 235 H 0.07 0.22 0.02 -0.55 8.46 8.23 2dw5A1 SER 235 HA 0.09 0.33 0.75 -0.75 4.49 4.90 2dw5A1 SER 235 HB2 -0.10 -0.04 0.05 -0.04 3.95 3.82 2dw5A1 SER 235 HB3 -0.02 0.00 -0.04 -0.04 3.93 3.83 2dw5A1 HIS 236 H 0.03 0.43 0.25 -0.55 8.41 8.58 2dw5A1 HIS 236 HA -0.19 0.06 0.72 -0.75 4.63 4.46 2dw5A1 HIS 236 HB2 0.08 0.32 -0.25 -0.04 3.26 3.37 2dw5A1 HIS 236 HB3 0.06 -0.12 -0.06 -0.04 3.20 3.04 2dw5A1 HIS 236 HD2 0.12 -0.06 -0.34 -0.04 6.97 6.64 2dw5A1 HIS 236 HE1 -0.02 -0.04 0.06 -0.04 7.75 7.70 2dw5A1 TYR 237 H -0.46 0.16 0.16 -0.55 8.29 7.60 2dw5A1 TYR 237 HA -0.01 0.11 0.69 -0.75 4.56 4.60 2dw5A1 TYR 237 HB2 -0.21 -0.03 0.16 -0.04 3.06 2.93 2dw5A1 TYR 237 HB3 -0.07 0.11 -0.04 -0.04 2.98 2.94 2dw5A1 TYR 237 HD2 -0.09 0.04 -0.05 -0.04 7.15 7.00 2dw5A1 TYR 237 HE2 -0.06 -0.01 -0.08 -0.04 6.85 6.65 2dw5A1 LEU 238 H 0.19 0.62 0.38 -0.55 8.37 9.01 2dw5A1 LEU 238 HA 0.23 0.09 0.61 -0.75 4.35 4.52 2dw5A1 LEU 238 HB2 0.12 -0.04 -0.01 -0.04 1.64 1.67 2dw5A1 LEU 238 HB3 0.16 0.03 -0.09 -0.04 1.64 1.70 2dw5A1 LEU 238 HG 0.20 0.01 -0.08 -0.04 1.64 1.73 2dw5A1 LEU 238 HD13 0.20 -0.01 -0.18 -0.04 0.93 0.90 2dw5A1 LEU 238 HD23 0.36 0.01 -0.15 -0.04 0.89 1.07 2dw5A1 MET 239 H 0.08 0.21 0.11 -0.55 8.47 8.33 2dw5A1 MET 239 HA -0.06 0.14 0.77 -0.75 4.52 4.61 2dw5A1 MET 239 HB2 -0.00 -0.01 0.16 -0.04 2.15 2.26 2dw5A1 MET 239 HB3 -0.03 0.00 0.04 -0.04 2.03 2.00 2dw5A1 MET 239 HG2 0.08 0.01 0.02 -0.04 2.63 2.70 2dw5A1 MET 239 HG3 0.05 -0.01 0.03 -0.04 2.56 2.59 2dw5A1 MET 239 HE3 0.02 0.00 -0.21 -0.04 2.10 1.88 2dw5A1 VAL 240 H -0.28 0.31 0.04 -0.55 8.24 7.76 2dw5A1 VAL 240 HA -0.36 0.21 0.80 -0.75 4.13 4.02 2dw5A1 VAL 240 HB -1.08 -0.05 -0.10 -0.04 2.12 0.85 2dw5A1 VAL 240 HG13 -0.17 0.05 -0.18 -0.04 0.97 0.64 2dw5A1 VAL 240 HG23 -0.09 -0.00 -0.38 -0.04 0.95 0.43 2dw5A1 PRO 241 HA -0.01 0.06 0.74 -0.51 4.44 4.71 2dw5A1 PRO 241 HB2 -0.02 0.11 0.03 -0.04 2.28 2.36 2dw5A1 PRO 241 HB3 -0.09 -0.03 0.05 -0.04 2.02 1.92 2dw5A1 PRO 241 HG2 -0.19 0.11 -0.02 -0.04 2.03 1.89 2dw5A1 PRO 241 HG3 -0.26 0.01 0.04 -0.04 2.03 1.77 2dw5A1 PRO 241 HD2 -0.89 0.06 0.13 -0.04 3.68 2.94 2dw5A1 PRO 241 HD3 -0.63 0.16 0.12 -0.04 3.65 3.26 2dw5A1 GLY 242 H 0.19 0.10 0.13 -0.55 8.43 8.30 2dw5A1 GLY 242 HA2 0.41 0.03 0.28 -0.51 4.01 4.23 2dw5A1 GLY 242 HA3 0.21 0.01 0.31 -0.51 4.01 4.03 2dw5A1 GLY 243 H 0.09 0.24 -0.21 -0.55 8.43 8.00 2dw5A1 GLY 243 HA2 0.04 0.06 0.34 -0.51 4.01 3.95 2dw5A1 GLY 243 HA3 0.07 0.10 0.64 -0.51 4.01 4.30 2dw5A1 LYS 244 H 0.06 0.12 0.20 -0.55 8.42 8.25 2dw5A1 LYS 244 HA 0.07 0.33 1.14 -0.75 4.32 5.10 2dw5A1 LYS 244 HB2 0.03 0.04 0.06 -0.04 1.87 1.96 2dw5A1 LYS 244 HB3 0.02 -0.04 0.13 -0.04 1.79 1.86 2dw5A1 LYS 244 HG2 0.04 0.01 0.20 -0.04 1.46 1.67 2dw5A1 LYS 244 HG3 0.02 0.00 0.04 -0.04 1.46 1.48 2dw5A1 LYS 244 HD2 0.01 0.01 0.04 -0.04 1.69 1.71 2dw5A1 LYS 244 HD3 0.02 -0.04 0.05 -0.04 1.68 1.67 2dw5A1 LYS 244 HE2 0.03 0.02 0.08 -0.04 2.99 3.08 2dw5A1 LYS 244 HE3 0.02 -0.01 0.05 -0.04 2.99 3.01 2dw5A1 HIS 245 H 0.13 0.63 0.32 -0.55 8.41 8.94 2dw5A1 HIS 245 HA 0.02 0.08 0.68 -0.75 4.63 4.65 2dw5A1 HIS 245 HB2 0.03 0.14 -0.27 -0.04 3.26 3.13 2dw5A1 HIS 245 HB3 0.03 -0.03 -0.07 -0.04 3.20 3.10 2dw5A1 HIS 245 HD2 -0.01 -0.05 -0.20 -0.04 6.97 6.67 2dw5A1 HIS 245 HE1 -0.01 -0.03 0.06 -0.04 7.75 7.72 2dw5A1 ASN 246 H -0.69 0.26 0.17 -0.55 8.53 7.73 2dw5A1 ASN 246 HA -0.10 0.35 1.04 -0.75 4.76 5.29 2dw5A1 ASN 246 HB2 -0.14 -0.05 0.06 -0.04 2.88 2.71 2dw5A1 ASN 246 HB3 -0.12 -0.00 -0.04 -0.04 2.79 2.59 2dw5A1 ASN 246 HD21 -0.02 -0.03 -0.07 -0.04 7.03 6.87 2dw5A1 ASN 246 HD22 -0.04 -0.13 -0.58 -0.04 7.74 6.95 2dw5A1 MET 247 H -0.07 0.59 0.30 -0.55 8.47 8.74 2dw5A1 MET 247 HA -0.22 0.15 0.98 -0.75 4.52 4.68 2dw5A1 MET 247 HB2 0.07 0.02 -0.07 -0.04 2.15 2.12 2dw5A1 MET 247 HB3 0.05 -0.03 0.15 -0.04 2.03 2.16 2dw5A1 MET 247 HG2 -0.90 -0.00 -0.28 -0.04 2.63 1.41 2dw5A1 MET 247 HG3 -0.25 0.09 0.05 -0.04 2.56 2.41 2dw5A1 MET 247 HE3 0.15 0.03 0.00 -0.04 2.10 2.25 2dw5A1 ASP 248 H -0.26 0.24 0.22 -0.55 8.40 8.05 2dw5A1 ASP 248 HA -0.18 0.18 0.74 -0.75 4.63 4.61 2dw5A1 ASP 248 HB2 -0.09 -0.02 0.09 -0.04 2.71 2.64 2dw5A1 ASP 248 HB3 -0.18 0.06 -0.06 -0.04 2.70 2.48 2dw5A1 PHE 249 H -0.05 0.67 0.47 -0.55 8.34 8.88 2dw5A1 PHE 249 HA 0.05 0.28 1.09 -0.75 4.62 5.28 2dw5A1 PHE 249 HB2 -0.04 -0.01 0.08 -0.04 3.15 3.14 2dw5A1 PHE 249 HB3 0.01 0.00 -0.01 -0.04 3.06 3.01 2dw5A1 PHE 249 HD2 0.02 0.10 -0.19 -0.04 7.28 7.17 2dw5A1 PHE 249 HE2 0.05 -0.03 -0.13 -0.04 7.38 7.22 2dw5A1 PHE 249 HZ 0.07 -0.04 -0.14 -0.04 7.32 7.17 2dw5A1 TYR 250 H 0.36 0.61 0.31 -0.55 8.29 9.03 2dw5A1 TYR 250 HA 0.07 0.35 0.95 -0.75 4.56 5.18 2dw5A1 TYR 250 HB2 0.13 -0.07 -0.01 -0.04 3.06 3.07 2dw5A1 TYR 250 HB3 0.06 0.02 -0.12 -0.04 2.98 2.91 2dw5A1 TYR 250 HD2 0.01 0.05 -0.27 -0.04 7.15 6.90 2dw5A1 TYR 250 HE2 -0.02 0.01 -0.15 -0.04 6.85 6.64 2dw5A1 VAL 251 H 0.08 0.46 0.29 -0.55 8.24 8.52 2dw5A1 VAL 251 HA 0.02 0.31 1.00 -0.75 4.13 4.72 2dw5A1 VAL 251 HB -0.32 -0.05 0.01 -0.04 2.12 1.73 2dw5A1 VAL 251 HG13 -0.34 0.01 -0.18 -0.04 0.97 0.42 2dw5A1 VAL 251 HG23 -0.11 0.02 -0.26 -0.04 0.95 0.56 2dw5A1 GLU 252 H 0.00 0.63 0.38 -0.55 8.60 9.06 2dw5A1 GLU 252 HA 0.02 0.17 0.87 -0.75 4.29 4.60 2dw5A1 GLU 252 HB2 0.06 0.06 0.02 -0.04 2.09 2.19 2dw5A1 GLU 252 HB3 0.11 -0.03 -0.13 -0.04 1.99 1.90 2dw5A1 GLU 252 HG2 0.20 0.01 -0.04 -0.04 2.34 2.47 2dw5A1 GLU 252 HG3 0.04 -0.04 -0.11 -0.04 2.34 2.19 2dw5A1 ALA 253 H -0.02 0.54 0.22 -0.55 8.40 8.60 2dw5A1 ALA 253 HA -0.04 0.24 0.91 -0.75 4.34 4.69 2dw5A1 ALA 253 HB3 -0.04 -0.01 -0.10 -0.04 1.41 1.22 2dw5A1 LEU 254 H -0.05 0.63 0.08 -0.55 8.37 8.48 2dw5A1 LEU 254 HA -0.02 0.08 0.76 -0.75 4.35 4.42 2dw5A1 LEU 254 HB2 -0.07 0.07 -0.07 -0.04 1.64 1.53 2dw5A1 LEU 254 HB3 -0.03 0.01 0.06 -0.04 1.64 1.64 2dw5A1 LEU 254 HG -0.06 -0.08 -0.64 -0.04 1.64 0.81 2dw5A1 LEU 254 HD13 -0.07 0.03 -0.18 -0.04 0.93 0.68 2dw5A1 LEU 254 HD23 -0.02 0.03 -0.40 -0.04 0.89 0.46 2dw5A1 ALA 255 H -0.03 0.22 0.10 -0.55 8.40 8.14 2dw5A1 ALA 255 HA 0.07 0.12 0.85 -0.75 4.34 4.62 2dw5A1 ALA 255 HB3 -0.06 0.03 -0.08 -0.04 1.41 1.26 2dw5A1 PHE 256 H 0.34 0.09 0.08 -0.55 8.34 8.30 2dw5A1 PHE 256 HA 0.11 0.17 0.68 -0.75 4.62 4.82 2dw5A1 PHE 256 HB2 0.22 -0.10 0.06 -0.04 3.15 3.29 2dw5A1 PHE 256 HB3 0.18 0.21 -0.00 -0.04 3.06 3.41 2dw5A1 PHE 256 HD2 0.04 0.02 0.04 -0.04 7.28 7.34 2dw5A1 PHE 256 HE2 0.08 0.07 -0.14 -0.04 7.38 7.35 2dw5A1 PHE 256 HZ 0.16 -0.03 -0.13 -0.04 7.32 7.27 2dw5A1 PRO 257 HA -0.20 0.04 0.36 -0.51 4.44 4.13 2dw5A1 PRO 257 HB2 -0.12 0.10 -0.07 -0.04 2.28 2.14 2dw5A1 PRO 257 HB3 -0.24 0.14 -0.02 -0.04 2.02 1.86 2dw5A1 PRO 257 HG2 -0.14 0.00 0.05 -0.04 2.03 1.90 2dw5A1 PRO 257 HG3 -0.22 0.08 0.08 -0.04 2.03 1.92 2dw5A1 PRO 257 HD2 0.25 -0.00 0.16 -0.04 3.68 4.05 2dw5A1 PRO 257 HD3 0.02 0.15 0.12 -0.04 3.65 3.90 2dw5A1 ASP 258 H 0.09 0.62 0.36 -0.55 8.40 8.92 2dw5A1 ASP 258 HA 0.08 0.17 0.52 -0.75 4.63 4.65 2dw5A1 ASP 258 HB2 0.23 0.23 -0.23 -0.04 2.71 2.90 2dw5A1 ASP 258 HB3 0.16 -0.24 -0.05 -0.04 2.70 2.53 2dw5A1 THR 259 H 0.09 0.13 0.05 -0.55 8.28 8.00 2dw5A1 THR 259 HA 0.05 0.13 0.27 -0.75 4.39 4.08 2dw5A1 THR 259 HB 0.06 -0.03 -0.04 -0.04 4.32 4.27 2dw5A1 THR 259 HG23 0.04 0.01 -0.01 -0.04 1.22 1.22 2dw5A1 ASP 260 H 0.11 0.04 -0.36 -0.55 8.40 7.64 2dw5A1 ASP 260 HA 0.08 0.19 0.76 -0.75 4.63 4.90 2dw5A1 ASP 260 HB2 0.06 0.02 0.13 -0.04 2.71 2.88 2dw5A1 ASP 260 HB3 0.06 -0.04 -0.01 -0.04 2.70 2.67 2dw5A1 PHE 261 H 0.18 0.50 -0.32 -0.55 8.34 8.15 2dw5A1 PHE 261 HA 0.02 0.17 0.81 -0.75 4.62 4.87 2dw5A1 PHE 261 HB2 0.02 0.02 -0.15 -0.04 3.15 3.00 2dw5A1 PHE 261 HB3 0.03 -0.04 0.16 -0.04 3.06 3.16 2dw5A1 PHE 261 HD2 0.02 0.17 -0.16 -0.04 7.28 7.27 2dw5A1 PHE 261 HE2 -0.02 0.24 -0.11 -0.04 7.38 7.44 2dw5A1 PHE 261 HZ -0.03 0.02 -0.28 -0.04 7.32 6.99 2dw5A1 PRO 262 HA -0.10 0.18 0.59 -0.51 4.44 4.60 2dw5A1 PRO 262 HB2 -0.07 -0.05 0.03 -0.04 2.28 2.15 2dw5A1 PRO 262 HB3 -0.02 0.06 0.12 -0.04 2.02 2.13 2dw5A1 PRO 262 HG2 0.04 0.01 0.05 -0.04 2.03 2.09 2dw5A1 PRO 262 HG3 0.03 0.08 0.01 -0.04 2.03 2.11 2dw5A1 PRO 262 HD2 0.15 0.06 0.18 -0.04 3.68 4.03 2dw5A1 PRO 262 HD3 0.14 0.18 -0.09 -0.04 3.65 3.84 2dw5A1 GLY 263 H -1.04 0.01 -0.17 -0.55 8.43 6.68 2dw5A1 GLY 263 HA2 -1.49 0.03 0.15 -0.51 4.01 2.19 2dw5A1 GLY 263 HA3 -0.53 0.30 0.78 -0.51 4.01 4.06 2dw5A1 LEU 264 H -0.25 0.00 0.09 -0.55 8.37 7.66 2dw5A1 LEU 264 HA -0.13 0.43 1.09 -0.75 4.35 4.99 2dw5A1 LEU 264 HB2 -0.01 -0.09 0.05 -0.04 1.64 1.55 2dw5A1 LEU 264 HB3 0.00 -0.01 -0.06 -0.04 1.64 1.53 2dw5A1 LEU 264 HG -0.15 -0.01 -0.18 -0.04 1.64 1.25 2dw5A1 LEU 264 HD13 0.04 -0.01 -0.03 -0.04 0.93 0.89 2dw5A1 LEU 264 HD23 -0.36 0.03 -0.10 -0.04 0.89 0.42 2dw5A1 ILE 265 H 0.11 0.73 0.28 -0.55 8.25 8.82 2dw5A1 ILE 265 HA 0.14 0.10 0.85 -0.75 4.18 4.52 2dw5A1 ILE 265 HB 0.16 -0.04 -0.02 -0.04 1.89 1.96 2dw5A1 ILE 265 HG12 0.10 0.03 -0.16 -0.04 1.49 1.43 2dw5A1 ILE 265 HG13 0.34 0.01 -0.68 -0.04 1.21 0.84 2dw5A1 ILE 265 HG23 0.07 -0.01 -0.29 -0.04 0.93 0.66 2dw5A1 ILE 265 HD13 0.11 0.01 -0.18 -0.04 0.88 0.78 2dw5A1 THR 266 H 0.08 0.15 0.13 -0.55 8.28 8.09 2dw5A1 THR 266 HA 0.07 0.30 1.08 -0.75 4.39 5.09 2dw5A1 THR 266 HB 0.03 -0.10 0.12 -0.04 4.32 4.32 2dw5A1 THR 266 HG23 -0.02 0.01 -0.18 -0.04 1.22 0.99 2dw5A1 LEU 267 H 0.05 0.63 0.33 -0.55 8.37 8.84 2dw5A1 LEU 267 HA -0.05 0.27 0.98 -0.75 4.35 4.79 2dw5A1 LEU 267 HB2 0.07 -0.06 0.03 -0.04 1.64 1.63 2dw5A1 LEU 267 HB3 -0.06 0.02 -0.04 -0.04 1.64 1.53 2dw5A1 LEU 267 HG 0.17 -0.04 -0.37 -0.04 1.64 1.36 2dw5A1 LEU 267 HD13 0.07 -0.01 -0.19 -0.04 0.93 0.75 2dw5A1 LEU 267 HD23 -0.02 0.03 -0.21 -0.04 0.89 0.65 2dw5A1 THR 268 H -0.28 0.72 0.37 -0.55 8.28 8.55 2dw5A1 THR 268 HA -0.16 0.25 1.11 -0.75 4.39 4.84 2dw5A1 THR 268 HB -0.91 -0.05 -0.02 -0.04 4.32 3.30 2dw5A1 THR 268 HG23 -0.12 0.01 -0.20 -0.04 1.22 0.87 2dw5A1 ILE 269 H -0.09 0.80 0.43 -0.55 8.25 8.84 2dw5A1 ILE 269 HA 0.02 0.26 0.95 -0.75 4.18 4.66 2dw5A1 ILE 269 HB 0.02 -0.02 -0.02 -0.04 1.89 1.83 2dw5A1 ILE 269 HG12 0.15 -0.04 -0.16 -0.04 1.49 1.40 2dw5A1 ILE 269 HG13 0.18 -0.01 -0.22 -0.04 1.21 1.12 2dw5A1 ILE 269 HG23 0.11 0.01 -0.03 -0.04 0.93 0.97 2dw5A1 ILE 269 HD13 0.11 0.07 -0.19 -0.04 0.88 0.83 2dw5A1 SER 270 H 0.19 0.68 0.36 -0.55 8.46 9.15 2dw5A1 SER 270 HA 0.13 0.30 1.14 -0.75 4.49 5.31 2dw5A1 SER 270 HB2 0.16 -0.06 0.04 -0.04 3.95 4.05 2dw5A1 SER 270 HB3 0.13 -0.00 0.03 -0.04 3.93 4.04 2dw5A1 LEU 271 H 0.23 0.72 0.37 -0.55 8.37 9.14 2dw5A1 LEU 271 HA 0.26 0.18 0.88 -0.75 4.35 4.91 2dw5A1 LEU 271 HB2 0.32 0.01 -0.03 -0.04 1.64 1.89 2dw5A1 LEU 271 HB3 0.31 -0.06 0.17 -0.04 1.64 2.01 2dw5A1 LEU 271 HG 0.26 0.06 -0.27 -0.04 1.64 1.66 2dw5A1 LEU 271 HD13 0.36 0.01 -0.15 -0.04 0.93 1.10 2dw5A1 LEU 271 HD23 0.13 -0.01 -0.16 -0.04 0.89 0.81 2dw5A1 LEU 272 H 0.20 0.88 0.42 -0.55 8.37 9.31 2dw5A1 LEU 272 HA 0.11 0.26 0.93 -0.75 4.35 4.90 2dw5A1 LEU 272 HB2 0.09 -0.04 0.03 -0.04 1.64 1.68 2dw5A1 LEU 272 HB3 0.06 -0.04 -0.10 -0.04 1.64 1.52 2dw5A1 LEU 272 HG 0.14 0.03 -0.29 -0.04 1.64 1.48 2dw5A1 LEU 272 HD13 0.17 -0.01 -0.19 -0.04 0.93 0.86 2dw5A1 LEU 272 HD23 0.07 -0.00 -0.28 -0.04 0.89 0.63 2dw5A1 ASP 273 H 0.05 0.72 0.36 -0.55 8.40 8.98 2dw5A1 ASP 273 HA -0.34 0.20 0.96 -0.75 4.63 4.70 2dw5A1 ASP 273 HB2 0.06 0.03 0.13 -0.04 2.71 2.89 2dw5A1 ASP 273 HB3 -0.02 0.00 0.28 -0.04 2.70 2.93 2dw5A1 THR 274 H -0.32 0.74 0.06 -0.55 8.28 8.21 2dw5A1 THR 274 HA -0.10 0.19 0.69 -0.75 4.39 4.42 2dw5A1 THR 274 HB -0.11 0.05 0.01 -0.04 4.32 4.23 2dw5A1 THR 274 HG23 -0.08 -0.03 -0.33 -0.04 1.22 0.75 2dw5A1 SER 275 H -0.18 0.08 -0.20 -0.55 8.46 7.61 2dw5A1 SER 275 HA -0.16 0.11 0.47 -0.75 4.49 4.16 2dw5A1 SER 275 HB2 -0.13 -0.01 0.05 -0.04 3.95 3.82 2dw5A1 SER 275 HB3 -0.11 -0.02 -0.07 -0.04 3.93 3.69 2dw5A1 ASN 276 H -0.08 0.18 -0.22 -0.55 8.53 7.86 2dw5A1 ASN 276 HA -0.06 0.10 0.84 -0.75 4.76 4.88 2dw5A1 ASN 276 HB2 -0.04 0.10 0.06 -0.04 2.88 2.96 2dw5A1 ASN 276 HB3 -0.04 -0.11 0.05 -0.04 2.79 2.65 2dw5A1 ASN 276 HD21 -0.04 0.03 -0.04 -0.04 7.03 6.94 2dw5A1 ASN 276 HD22 -0.04 0.07 -0.03 -0.04 7.74 7.71 2dw5A1 LEU 277 H -0.05 0.11 0.14 -0.55 8.37 8.02 2dw5A1 LEU 277 HA -0.05 0.18 0.16 -0.75 4.35 3.89 2dw5A1 LEU 277 HB2 -0.04 -0.08 0.10 -0.04 1.64 1.58 2dw5A1 LEU 277 HB3 -0.04 0.01 -0.01 -0.04 1.64 1.56 2dw5A1 LEU 277 HG -0.05 0.04 -0.00 -0.04 1.64 1.59 2dw5A1 LEU 277 HD13 -0.04 -0.01 0.00 -0.04 0.93 0.84 2dw5A1 LEU 277 HD23 -0.05 0.03 -0.06 -0.04 0.89 0.76 2dw5A1 GLU 278 H -0.03 -0.09 -0.13 -0.55 8.60 7.80 2dw5A1 GLU 278 HA -0.02 0.13 0.67 -0.75 4.29 4.31 2dw5A1 GLU 278 HB2 -0.02 0.04 -0.02 -0.04 2.09 2.04 2dw5A1 GLU 278 HB3 -0.02 0.01 0.06 -0.04 1.99 2.00 2dw5A1 GLU 278 HG2 -0.02 0.03 0.02 -0.04 2.34 2.33 2dw5A1 GLU 278 HG3 -0.03 -0.01 0.04 -0.04 2.34 2.30 2dw5A1 LEU 279 H -0.03 -0.11 -0.18 -0.55 8.37 7.50 2dw5A1 LEU 279 HA -0.02 0.04 0.20 -0.75 4.35 3.82 2dw5A1 LEU 279 HB2 -0.03 0.02 -0.05 -0.04 1.64 1.54 2dw5A1 LEU 279 HB3 -0.02 0.10 0.02 -0.04 1.64 1.70 2dw5A1 LEU 279 HG -0.02 -0.15 0.03 -0.04 1.64 1.45 2dw5A1 LEU 279 HD13 -0.02 0.00 -0.01 -0.04 0.93 0.87 2dw5A1 LEU 279 HD23 -0.01 -0.00 -0.03 -0.04 0.89 0.80 2dw5A1 PRO 280 HA -0.01 0.03 0.43 -0.51 4.44 4.37 2dw5A1 PRO 280 HB2 -0.01 0.12 -0.02 -0.04 2.28 2.34 2dw5A1 PRO 280 HB3 -0.01 -0.02 0.12 -0.04 2.02 2.07 2dw5A1 PRO 280 HG2 -0.01 0.00 0.08 -0.04 2.03 2.06 2dw5A1 PRO 280 HG3 -0.01 0.03 0.10 -0.04 2.03 2.10 2dw5A1 PRO 280 HD2 -0.01 0.06 0.16 -0.04 3.68 3.85 2dw5A1 PRO 280 HD3 -0.01 0.09 0.19 -0.04 3.65 3.87 2dw5A1 GLU 281 H -0.01 0.04 0.14 -0.55 8.60 8.23 2dw5A1 GLU 281 HA -0.02 0.22 0.55 -0.75 4.29 4.29 2dw5A1 GLU 281 HB2 0.02 -0.05 0.00 -0.04 2.09 2.02 2dw5A1 GLU 281 HB3 0.03 -0.04 -0.25 -0.04 1.99 1.69 2dw5A1 GLU 281 HG2 0.01 0.02 -0.07 -0.04 2.34 2.25 2dw5A1 GLU 281 HG3 0.01 0.02 0.06 -0.04 2.34 2.38 2dw5A1 ALA 282 H 0.01 0.25 0.25 -0.55 8.40 8.37 2dw5A1 ALA 282 HA 0.02 0.12 0.84 -0.75 4.34 4.56 2dw5A1 ALA 282 HB3 0.01 0.02 0.05 -0.04 1.41 1.45 2dw5A1 VAL 283 H 0.04 0.15 0.15 -0.55 8.24 8.02 2dw5A1 VAL 283 HA 0.09 0.13 0.64 -0.75 4.13 4.23 2dw5A1 VAL 283 HB 0.04 0.01 0.10 -0.04 2.12 2.23 2dw5A1 VAL 283 HG13 0.07 0.00 -0.10 -0.04 0.97 0.90 2dw5A1 VAL 283 HG23 0.03 -0.00 -0.05 -0.04 0.95 0.89 2dw5A1 VAL 284 H 0.15 0.67 0.48 -0.55 8.24 8.99 2dw5A1 VAL 284 HA 0.11 0.15 0.85 -0.75 4.13 4.49 2dw5A1 VAL 284 HB 0.20 -0.01 -0.01 -0.04 2.12 2.26 2dw5A1 VAL 284 HG13 0.13 -0.02 -0.03 -0.04 0.97 1.01 2dw5A1 VAL 284 HG23 0.18 0.02 -0.10 -0.04 0.95 1.01 2dw5A1 PHE 285 H 0.20 0.21 0.29 -0.55 8.34 8.49 2dw5A1 PHE 285 HA 0.05 0.16 0.63 -0.75 4.62 4.70 2dw5A1 PHE 285 HB2 0.05 0.13 -0.12 -0.04 3.15 3.16 2dw5A1 PHE 285 HB3 0.07 -0.13 -0.03 -0.04 3.06 2.93 2dw5A1 PHE 285 HD2 0.05 -0.04 -0.08 -0.04 7.28 7.16 2dw5A1 PHE 285 HE2 0.02 0.02 -0.08 -0.04 7.38 7.31 2dw5A1 PHE 285 HZ 0.01 0.04 -0.01 -0.04 7.32 7.32 2dw5A1 GLN 286 H -0.48 0.32 0.21 -0.55 8.47 7.98 2dw5A1 GLN 286 HA -0.20 0.31 0.91 -0.75 4.36 4.63 2dw5A1 GLN 286 HB2 -0.13 -0.02 0.09 -0.04 2.15 2.05 2dw5A1 GLN 286 HB3 -0.12 0.03 -0.05 -0.04 2.02 1.84 2dw5A1 GLN 286 HG2 0.06 0.09 0.11 -0.04 2.40 2.61 2dw5A1 GLN 286 HG3 0.01 -0.07 -0.10 -0.04 2.39 2.19 2dw5A1 GLN 286 HE21 0.07 -0.02 -0.07 -0.04 6.97 6.91 2dw5A1 GLN 286 HE22 0.12 -0.02 -0.07 -0.04 7.69 7.68 2dw5A1 ASP 287 H -0.21 0.65 0.38 -0.55 8.40 8.67 2dw5A1 ASP 287 HA -0.23 0.15 0.66 -0.75 4.63 4.45 2dw5A1 ASP 287 HB2 -0.25 0.01 -0.07 -0.04 2.71 2.36 2dw5A1 ASP 287 HB3 0.02 -0.07 0.05 -0.04 2.70 2.65 2dw5A1 SER 288 H -0.08 0.28 0.25 -0.55 8.46 8.37 2dw5A1 SER 288 HA -0.08 0.25 1.11 -0.75 4.49 5.01 2dw5A1 SER 288 HB2 -0.06 0.01 -0.02 -0.04 3.95 3.85 2dw5A1 SER 288 HB3 -0.06 0.06 -0.06 -0.04 3.93 3.83 2dw5A1 VAL 289 H -0.06 0.62 0.37 -0.55 8.24 8.62 2dw5A1 VAL 289 HA -0.13 0.19 0.48 -0.75 4.13 3.92 2dw5A1 VAL 289 HB -0.28 -0.03 0.06 -0.04 2.12 1.84 2dw5A1 VAL 289 HG13 -0.06 0.04 -0.26 -0.04 0.97 0.64 2dw5A1 VAL 289 HG23 -0.39 -0.01 -0.23 -0.04 0.95 0.28 2dw5A1 VAL 290 H -0.16 0.23 0.06 -0.55 8.24 7.81 2dw5A1 VAL 290 HA 0.01 0.18 0.97 -0.75 4.13 4.53 2dw5A1 VAL 290 HB 0.06 0.00 0.00 -0.04 2.12 2.14 2dw5A1 VAL 290 HG13 0.10 -0.02 -0.16 -0.04 0.97 0.86 2dw5A1 VAL 290 HG23 0.01 -0.01 -0.11 -0.04 0.95 0.81 2dw5A1 PHE 291 H 0.20 0.88 0.35 -0.55 8.34 9.21 2dw5A1 PHE 291 HA 0.13 0.25 0.83 -0.75 4.62 5.07 2dw5A1 PHE 291 HB2 0.02 0.00 0.03 -0.04 3.15 3.17 2dw5A1 PHE 291 HB3 0.03 0.01 -0.18 -0.04 3.06 2.88 2dw5A1 PHE 291 HD2 0.03 0.05 -0.32 -0.04 7.28 7.00 2dw5A1 PHE 291 HE2 -0.02 -0.02 -0.18 -0.04 7.38 7.12 2dw5A1 PHE 291 HZ -0.02 0.02 -0.19 -0.04 7.32 7.09 2dw5A1 ARG 292 H 0.13 0.64 0.34 -0.55 8.46 9.02 2dw5A1 ARG 292 HA -0.33 0.28 1.20 -0.75 4.34 4.73 2dw5A1 ARG 292 HB2 -2.12 -0.06 -0.03 -0.04 1.90 -0.34 2dw5A1 ARG 292 HB3 -0.84 -0.02 0.06 -0.04 1.80 0.96 2dw5A1 ARG 292 HG2 -0.33 0.16 -0.31 -0.04 1.67 1.15 2dw5A1 ARG 292 HG3 -0.56 0.05 0.02 -0.04 1.67 1.14 2dw5A1 ARG 292 HD2 -1.63 -0.04 -0.08 -0.04 3.22 1.43 2dw5A1 ARG 292 HD3 -0.40 0.03 -0.01 -0.04 3.22 2.80 2dw5A1 VAL 293 H -0.18 0.90 0.32 -0.55 8.24 8.73 2dw5A1 VAL 293 HA 0.00 0.13 0.69 -0.75 4.13 4.20 2dw5A1 VAL 293 HB -0.15 -0.03 0.15 -0.04 2.12 2.05 2dw5A1 VAL 293 HG13 -0.11 0.10 -0.04 -0.04 0.97 0.88 2dw5A1 VAL 293 HG23 0.13 -0.02 -0.10 -0.04 0.95 0.92 2dw5A1 ALA 294 H 0.05 0.64 0.44 -0.55 8.40 8.97 2dw5A1 ALA 294 HA -0.46 0.08 0.59 -0.75 4.34 3.79 2dw5A1 ALA 294 HB3 0.10 -0.05 0.13 -0.04 1.41 1.55 2dw5A1 PRO 295 HA -0.04 0.08 0.65 -0.51 4.44 4.63 2dw5A1 PRO 295 HB2 -0.28 0.11 0.01 -0.04 2.28 2.08 2dw5A1 PRO 295 HB3 -0.29 0.03 0.22 -0.04 2.02 1.93 2dw5A1 PRO 295 HG2 -0.78 0.02 0.03 -0.04 2.03 1.26 2dw5A1 PRO 295 HG3 -0.64 -0.00 0.08 -0.04 2.03 1.43 2dw5A1 PRO 295 HD2 -2.30 0.02 0.29 -0.04 3.68 1.65 2dw5A1 PRO 295 HD3 -1.61 0.22 0.28 -0.04 3.65 2.49 2dw5A1 TRP 296 H 0.07 0.11 0.18 -0.55 7.97 7.80 2dw5A1 TRP 296 HA -0.11 0.14 0.66 -0.75 4.62 4.55 2dw5A1 TRP 296 HB2 -0.60 -0.03 0.02 -0.04 3.23 2.58 2dw5A1 TRP 296 HB3 -0.41 -0.00 0.08 -0.04 3.23 2.85 2dw5A1 TRP 296 HD1 -0.10 -0.03 -0.23 -0.04 7.22 6.82 2dw5A1 TRP 296 HE1 0.01 0.27 -0.20 -0.04 10.20 10.24 2dw5A1 TRP 296 HE3 -0.26 0.03 -0.19 -0.04 7.59 7.12 2dw5A1 TRP 296 HZ2 0.11 0.07 -0.20 -0.04 7.44 7.38 2dw5A1 TRP 296 HZ3 -0.07 -0.00 -0.14 -0.04 7.13 6.88 2dw5A1 TRP 296 HH2 0.05 -0.00 -0.16 -0.04 7.19 7.03 2dw5A1 ILE 297 H -1.02 0.44 0.33 -0.55 8.25 7.45 2dw5A1 ILE 297 HA -0.57 0.14 0.86 -0.75 4.18 3.85 2dw5A1 ILE 297 HB -1.49 0.02 0.11 -0.04 1.89 0.49 2dw5A1 ILE 297 HG12 -0.28 -0.02 -0.17 -0.04 1.49 0.97 2dw5A1 ILE 297 HG13 -0.48 0.03 -0.48 -0.04 1.21 0.24 2dw5A1 ILE 297 HG23 -0.11 0.04 -0.09 -0.04 0.93 0.72 2dw5A1 ILE 297 HD13 -0.22 -0.03 -0.01 -0.04 0.88 0.58 2dw5A1 MET 298 H -0.43 0.16 0.12 -0.55 8.47 7.77 2dw5A1 MET 298 HA -0.52 0.11 0.76 -0.75 4.52 4.13 2dw5A1 MET 298 HB2 -0.15 0.02 -0.05 -0.04 2.15 1.92 2dw5A1 MET 298 HB3 -0.10 0.02 -0.10 -0.04 2.03 1.82 2dw5A1 MET 298 HG2 -0.21 0.01 -0.15 -0.04 2.63 2.24 2dw5A1 MET 298 HG3 -0.67 -0.04 -0.16 -0.04 2.56 1.65 2dw5A1 MET 298 HE3 0.07 -0.00 -0.28 -0.04 2.10 1.84 2dw5A1 THR 299 H -0.06 0.21 0.15 -0.55 8.28 8.03 2dw5A1 THR 299 HA -0.07 0.22 0.84 -0.75 4.39 4.62 2dw5A1 THR 299 HB -0.19 0.10 -0.10 -0.04 4.32 4.09 2dw5A1 THR 299 HG23 -0.02 0.01 -0.31 -0.04 1.22 0.86 2dw5A1 PRO 300 HA -0.02 0.07 0.48 -0.51 4.44 4.46 2dw5A1 PRO 300 HB2 -0.14 -0.18 -0.11 -0.04 2.28 1.81 2dw5A1 PRO 300 HB3 -0.14 0.28 -0.44 -0.04 2.02 1.68 2dw5A1 PRO 300 HG2 -0.07 -0.10 -0.07 -0.04 2.03 1.76 2dw5A1 PRO 300 HG3 0.18 0.14 -0.03 -0.04 2.03 2.27 2dw5A1 PRO 300 HD2 -0.33 0.09 0.17 -0.04 3.68 3.57 2dw5A1 PRO 300 HD3 0.21 0.29 0.02 -0.04 3.65 4.13 2dw5A1 ASN 301 H 0.02 0.14 0.17 -0.55 8.53 8.32 2dw5A1 ASN 301 HA 0.05 0.14 0.42 -0.75 4.76 4.61 2dw5A1 ASN 301 HB2 0.12 -0.05 0.08 -0.04 2.88 2.99 2dw5A1 ASN 301 HB3 0.10 0.05 0.16 -0.04 2.79 3.06 2dw5A1 ASN 301 HD21 0.10 -0.03 0.19 -0.04 7.03 7.26 2dw5A1 ASN 301 HD22 0.13 0.11 0.28 -0.04 7.74 8.22 2dw5A1 THR 302 H -0.03 -0.02 -0.59 -0.55 8.28 7.09 2dw5A1 THR 302 HA 0.03 0.13 0.62 -0.75 4.39 4.42 2dw5A1 THR 302 HB 0.04 0.05 0.08 -0.04 4.32 4.45 2dw5A1 THR 302 HG23 0.09 -0.03 -0.20 -0.04 1.22 1.05 2dw5A1 GLN 303 H -0.09 0.42 -0.27 -0.55 8.47 7.99 2dw5A1 GLN 303 HA -0.12 0.12 0.81 -0.75 4.36 4.41 2dw5A1 GLN 303 HB2 -0.20 0.08 -0.01 -0.04 2.15 1.97 2dw5A1 GLN 303 HB3 -0.23 0.11 -0.01 -0.04 2.02 1.85 2dw5A1 GLN 303 HG2 -0.45 -0.13 -0.06 -0.04 2.40 1.72 2dw5A1 GLN 303 HG3 -0.84 0.00 -0.01 -0.04 2.39 1.50 2dw5A1 GLN 303 HE21 -0.22 -0.17 -0.08 -0.04 6.97 6.46 2dw5A1 GLN 303 HE22 -0.44 0.54 -0.22 -0.04 7.69 7.53 2dw5A1 PRO 304 HA -0.01 0.05 0.39 -0.51 4.44 4.36 2dw5A1 PRO 304 HB2 -0.04 -0.02 0.06 -0.04 2.28 2.25 2dw5A1 PRO 304 HB3 -0.02 0.03 0.11 -0.04 2.02 2.10 2dw5A1 PRO 304 HG2 -0.04 -0.01 0.10 -0.04 2.03 2.04 2dw5A1 PRO 304 HG3 -0.02 0.03 0.11 -0.04 2.03 2.10 2dw5A1 PRO 304 HD2 -0.10 0.10 0.20 -0.04 3.68 3.83 2dw5A1 PRO 304 HD3 -0.06 0.22 0.26 -0.04 3.65 4.03 2dw5A1 PRO 305 HA 0.01 0.11 0.63 -0.51 4.44 4.67 2dw5A1 PRO 305 HB2 0.02 -0.05 -0.01 -0.04 2.28 2.20 2dw5A1 PRO 305 HB3 0.03 0.09 0.14 -0.04 2.02 2.24 2dw5A1 PRO 305 HG2 0.02 0.15 0.04 -0.04 2.03 2.21 2dw5A1 PRO 305 HG3 0.04 -0.15 0.04 -0.04 2.03 1.92 2dw5A1 PRO 305 HD2 0.01 0.06 0.22 -0.04 3.68 3.92 2dw5A1 PRO 305 HD3 0.01 0.15 0.22 -0.04 3.65 3.99 2dw5A1 GLN 306 H 0.02 0.60 0.45 -0.55 8.47 9.00 2dw5A1 GLN 306 HA -0.00 0.23 0.90 -0.75 4.36 4.74 2dw5A1 GLN 306 HB2 0.02 0.08 -0.07 -0.04 2.15 2.13 2dw5A1 GLN 306 HB3 0.01 -0.09 -0.02 -0.04 2.02 1.87 2dw5A1 GLN 306 HG2 -0.01 -0.04 -0.03 -0.04 2.40 2.28 2dw5A1 GLN 306 HG3 -0.02 0.09 -0.38 -0.04 2.39 2.03 2dw5A1 GLN 306 HE21 -0.07 0.00 -0.09 -0.04 6.97 6.78 2dw5A1 GLN 306 HE22 -0.04 -0.02 -0.07 -0.04 7.69 7.52 2dw5A1 GLU 307 H 0.03 0.30 0.32 -0.55 8.60 8.69 2dw5A1 GLU 307 HA -0.07 0.28 0.76 -0.75 4.29 4.51 2dw5A1 GLU 307 HB2 -0.00 0.09 -0.21 -0.04 2.09 1.93 2dw5A1 GLU 307 HB3 0.04 -0.08 0.03 -0.04 1.99 1.93 2dw5A1 GLU 307 HG2 -0.70 0.00 -0.38 -0.04 2.34 1.22 2dw5A1 GLU 307 HG3 -0.19 -0.05 -0.20 -0.04 2.34 1.85 2dw5A1 VAL 308 H -0.15 0.66 0.31 -0.55 8.24 8.52 2dw5A1 VAL 308 HA -0.00 0.32 1.15 -0.75 4.13 4.85 2dw5A1 VAL 308 HB -0.05 -0.04 0.08 -0.04 2.12 2.07 2dw5A1 VAL 308 HG13 0.02 -0.00 -0.05 -0.04 0.97 0.90 2dw5A1 VAL 308 HG23 -0.01 0.01 -0.13 -0.04 0.95 0.78 2dw5A1 TYR 309 H 0.21 0.64 0.43 -0.55 8.29 9.02 2dw5A1 TYR 309 HA 0.07 0.45 1.12 -0.75 4.56 5.44 2dw5A1 TYR 309 HB2 0.09 -0.08 0.02 -0.04 3.06 3.05 2dw5A1 TYR 309 HB3 0.07 -0.02 -0.02 -0.04 2.98 2.97 2dw5A1 TYR 309 HD2 0.25 0.05 -0.32 -0.04 7.15 7.08 2dw5A1 TYR 309 HE2 0.15 0.01 -0.18 -0.04 6.85 6.79 2dw5A1 ALA 310 H 0.09 0.47 0.38 -0.55 8.40 8.80 2dw5A1 ALA 310 HA 0.07 0.21 0.42 -0.75 4.34 4.28 2dw5A1 ALA 310 HB3 0.16 -0.00 0.11 -0.04 1.41 1.63 2dw5A1 CYS 311 H 0.02 0.32 0.26 -0.55 8.50 8.56 2dw5A1 CYS 311 HA -0.09 0.12 1.05 -0.75 4.58 4.91 2dw5A1 CYS 311 HB2 -0.14 0.01 0.14 -0.04 2.97 2.93 2dw5A1 CYS 311 HB3 -0.14 -0.03 0.01 -0.04 2.97 2.77 2dw5A1 SER 312 H -0.04 0.62 0.12 -0.55 8.46 8.61 2dw5A1 SER 312 HA -0.01 0.17 0.63 -0.75 4.49 4.53 2dw5A1 SER 312 HB2 -0.00 -0.03 0.06 -0.04 3.95 3.94 2dw5A1 SER 312 HB3 0.01 0.08 -0.07 -0.04 3.93 3.91 2dw5A1 GLU 315 HA -0.06 0.07 -4.98 -0.75 4.29 -1.44 2dw5A1 GLU 315 HB2 -0.00 -0.13 0.18 -0.04 2.09 2.10 2dw5A1 GLU 315 HB3 -0.02 0.05 0.28 -0.04 1.99 2.26 2dw5A1 GLU 315 HG2 -0.00 0.05 0.09 -0.04 2.34 2.44 2dw5A1 GLU 315 HG3 0.02 -0.15 -0.15 -0.04 2.34 2.01 2dw5A1 ASN 316 H 0.01 0.18 -0.20 -0.55 8.53 7.98 2dw5A1 ASN 316 HA 0.11 0.14 0.49 -0.75 4.76 4.74 2dw5A1 ASN 316 HB2 0.13 -0.07 0.09 -0.04 2.88 2.99 2dw5A1 ASN 316 HB3 -0.10 0.11 -0.17 -0.04 2.79 2.58 2dw5A1 ASN 316 HD21 0.07 0.61 0.22 -0.04 7.03 7.89 2dw5A1 ASN 316 HD22 -0.02 -0.08 0.04 -0.04 7.74 7.63 2dw5A1 GLU 317 H 0.07 0.29 -0.11 -0.55 8.60 8.30 2dw5A1 GLU 317 HA 0.08 0.10 0.22 -0.75 4.29 3.94 2dw5A1 GLU 317 HB2 0.05 0.01 0.07 -0.04 2.09 2.18 2dw5A1 GLU 317 HB3 0.04 0.06 0.02 -0.04 1.99 2.07 2dw5A1 GLU 317 HG2 0.03 -0.03 0.02 -0.04 2.34 2.32 2dw5A1 GLU 317 HG3 0.03 0.05 -0.00 -0.04 2.34 2.37 2dw5A1 ASP 318 H 0.12 0.10 -0.15 -0.55 8.40 7.92 2dw5A1 ASP 318 HA 0.07 0.12 0.51 -0.75 4.63 4.57 2dw5A1 ASP 318 HB2 0.13 0.01 0.03 -0.04 2.71 2.84 2dw5A1 ASP 318 HB3 0.08 0.04 0.06 -0.04 2.70 2.85 2dw5A1 PHE 319 H 0.28 0.02 -0.23 -0.55 8.34 7.85 2dw5A1 PHE 319 HA 0.06 0.04 0.54 -0.75 4.62 4.51 2dw5A1 PHE 319 HB2 0.17 -0.02 0.11 -0.04 3.15 3.38 2dw5A1 PHE 319 HB3 0.15 0.15 0.17 -0.04 3.06 3.49 2dw5A1 PHE 319 HD2 0.01 0.01 -0.16 -0.04 7.28 7.10 2dw5A1 PHE 319 HE2 -0.29 -0.00 -0.09 -0.04 7.38 6.96 2dw5A1 PHE 319 HZ -0.36 0.12 -0.05 -0.04 7.32 6.99 2dw5A1 LEU 320 H 0.28 0.71 -0.09 -0.55 8.37 8.72 2dw5A1 LEU 320 HA 0.10 0.05 0.26 -0.75 4.35 4.00 2dw5A1 LEU 320 HB2 0.11 0.04 0.05 -0.04 1.64 1.80 2dw5A1 LEU 320 HB3 0.07 -0.01 -0.08 -0.04 1.64 1.58 2dw5A1 LEU 320 HG 0.19 0.03 -0.05 -0.04 1.64 1.76 2dw5A1 LEU 320 HD13 0.06 -0.02 -0.17 -0.04 0.93 0.76 2dw5A1 LEU 320 HD23 0.26 0.05 -0.12 -0.04 0.89 1.04 2dw5A1 LYS 321 H 0.05 0.36 -0.19 -0.55 8.42 8.09 2dw5A1 LYS 321 HA -0.00 0.04 0.45 -0.75 4.32 4.05 2dw5A1 LYS 321 HB2 0.02 0.05 0.24 -0.04 1.87 2.14 2dw5A1 LYS 321 HB3 0.00 -0.01 -0.02 -0.04 1.79 1.72 2dw5A1 LYS 321 HG2 0.01 -0.00 0.04 -0.04 1.46 1.47 2dw5A1 LYS 321 HG3 0.03 0.11 0.04 -0.04 1.46 1.61 2dw5A1 LYS 321 HD2 0.03 -0.05 0.02 -0.04 1.69 1.65 2dw5A1 LYS 321 HD3 0.02 0.01 -0.00 -0.04 1.68 1.66 2dw5A1 LYS 321 HE2 0.02 0.02 -0.03 -0.04 2.99 2.96 2dw5A1 LYS 321 HE3 0.03 -0.07 -0.09 -0.04 2.99 2.82 2dw5A1 SER 322 H -0.05 0.50 -0.15 -0.55 8.46 8.21 2dw5A1 SER 322 HA -0.06 0.00 0.28 -0.75 4.49 3.95 2dw5A1 SER 322 HB2 -0.20 0.10 0.15 -0.04 3.95 3.96 2dw5A1 SER 322 HB3 -0.11 -0.03 -0.02 -0.04 3.93 3.73 2dw5A1 VAL 323 H -0.26 0.47 -0.09 -0.55 8.24 7.80 2dw5A1 VAL 323 HA -0.15 0.04 0.42 -0.75 4.13 3.68 2dw5A1 VAL 323 HB -0.13 0.02 0.01 -0.04 2.12 1.97 2dw5A1 VAL 323 HG13 -0.52 0.05 -0.05 -0.04 0.97 0.41 2dw5A1 VAL 323 HG23 -0.04 0.02 -0.25 -0.04 0.95 0.64 2dw5A1 THR 324 H -0.07 0.47 -0.41 -0.55 8.28 7.72 2dw5A1 THR 324 HA -0.04 0.01 0.32 -0.75 4.39 3.94 2dw5A1 THR 324 HB -0.02 0.11 0.21 -0.04 4.32 4.57 2dw5A1 THR 324 HG23 -0.02 -0.03 -0.06 -0.04 1.22 1.07 2dw5A1 THR 325 H -0.06 0.49 -0.12 -0.55 8.28 8.04 2dw5A1 THR 325 HA -0.05 0.04 0.45 -0.75 4.39 4.07 2dw5A1 THR 325 HB -0.06 0.01 -0.02 -0.04 4.32 4.21 2dw5A1 THR 325 HG23 -0.04 -0.02 0.01 -0.04 1.22 1.14 2dw5A1 LEU 326 H -0.09 0.47 -0.15 -0.55 8.37 8.05 2dw5A1 LEU 326 HA -0.15 0.00 0.36 -0.75 4.35 3.82 2dw5A1 LEU 326 HB2 -0.10 0.08 0.09 -0.04 1.64 1.67 2dw5A1 LEU 326 HB3 -0.08 0.05 0.02 -0.04 1.64 1.60 2dw5A1 LEU 326 HG -0.04 0.06 -0.14 -0.04 1.64 1.48 2dw5A1 LEU 326 HD13 -0.07 -0.02 -0.16 -0.04 0.93 0.64 2dw5A1 LEU 326 HD23 -0.04 -0.02 -0.25 -0.04 0.89 0.54 2dw5A1 ALA 327 H -0.07 0.74 -0.11 -0.55 8.40 8.42 2dw5A1 ALA 327 HA -0.04 0.04 0.38 -0.75 4.34 3.96 2dw5A1 ALA 327 HB3 -0.04 0.04 -0.01 -0.04 1.41 1.36 2dw5A1 MET 328 H -0.06 0.42 -0.23 -0.55 8.47 8.05 2dw5A1 MET 328 HA -0.04 0.02 0.39 -0.75 4.52 4.14 2dw5A1 MET 328 HB2 -0.04 -0.03 0.11 -0.04 2.15 2.15 2dw5A1 MET 328 HB3 -0.06 0.11 0.23 -0.04 2.03 2.27 2dw5A1 MET 328 HG2 -0.04 0.02 -0.24 -0.04 2.63 2.33 2dw5A1 MET 328 HG3 -0.03 -0.07 -0.01 -0.04 2.56 2.41 2dw5A1 MET 328 HE3 -0.03 -0.03 -0.02 -0.04 2.10 1.99 2dw5A1 LYS 329 H -0.15 0.66 -0.03 -0.55 8.42 8.35 2dw5A1 LYS 329 HA -0.14 -0.04 0.39 -0.75 4.32 3.77 2dw5A1 LYS 329 HB2 -0.48 0.11 0.15 -0.04 1.87 1.61 2dw5A1 LYS 329 HB3 -1.04 -0.04 0.02 -0.04 1.79 0.69 2dw5A1 LYS 329 HG2 -0.16 -0.06 0.03 -0.04 1.46 1.23 2dw5A1 LYS 329 HG3 -0.17 0.09 0.03 -0.04 1.46 1.37 2dw5A1 LYS 329 HD2 -0.25 -0.00 -0.06 -0.04 1.69 1.33 2dw5A1 LYS 329 HD3 -0.24 -0.00 -0.02 -0.04 1.68 1.37 2dw5A1 LYS 329 HE2 -0.06 -0.02 -0.03 -0.04 2.99 2.84 2dw5A1 LYS 329 HE3 -0.08 -0.04 -0.07 -0.04 2.99 2.77 2dw5A1 ALA 330 H -0.10 0.39 -0.40 -0.55 8.40 7.74 2dw5A1 ALA 330 HA 0.12 0.08 0.68 -0.75 4.34 4.46 2dw5A1 ALA 330 HB3 0.07 -0.01 0.07 -0.04 1.41 1.49 2dw5A1 LYS 331 H -0.02 0.40 -0.34 -0.55 8.42 7.90 2dw5A1 LYS 331 HA -0.01 -0.03 0.29 -0.75 4.32 3.81 2dw5A1 LYS 331 HB2 0.01 0.19 0.04 -0.04 1.87 2.07 2dw5A1 LYS 331 HB3 0.00 -0.12 0.15 -0.04 1.79 1.79 2dw5A1 LYS 331 HG2 0.01 0.07 -0.07 -0.04 1.46 1.43 2dw5A1 LYS 331 HG3 0.03 0.04 -0.31 -0.04 1.46 1.18 2dw5A1 LYS 331 HD2 0.01 -0.00 -0.02 -0.04 1.69 1.64 2dw5A1 LYS 331 HD3 0.01 -0.06 0.01 -0.04 1.68 1.59 2dw5A1 LYS 331 HE2 0.01 0.02 0.00 -0.04 2.99 2.99 2dw5A1 LYS 331 HE3 0.02 0.01 -0.00 -0.04 2.99 2.98 2dw5A1 CYS 332 H -0.02 0.49 -0.11 -0.55 8.50 8.31 2dw5A1 CYS 332 HA -0.01 0.26 0.62 -0.75 4.58 4.70 2dw5A1 CYS 332 HB2 -0.02 -0.12 -0.07 -0.04 2.97 2.72 2dw5A1 CYS 332 HB3 -0.03 0.02 -0.24 -0.04 2.97 2.68 2dw5A1 LYS 333 H -0.02 0.46 0.28 -0.55 8.42 8.59 2dw5A1 LYS 333 HA -0.02 -0.00 0.62 -0.75 4.32 4.16 2dw5A1 LYS 333 HB2 -0.01 0.07 0.20 -0.04 1.87 2.09 2dw5A1 LYS 333 HB3 -0.03 -0.01 0.13 -0.04 1.79 1.84 2dw5A1 LYS 333 HG2 0.01 0.01 -0.01 -0.04 1.46 1.43 2dw5A1 LYS 333 HG3 -0.02 -0.01 -0.05 -0.04 1.46 1.33 2dw5A1 LYS 333 HD2 -0.00 0.02 0.09 -0.04 1.69 1.76 2dw5A1 LYS 333 HD3 0.01 -0.00 0.04 -0.04 1.68 1.68 2dw5A1 LYS 333 HE2 0.01 -0.05 0.04 -0.04 2.99 2.95 2dw5A1 LYS 333 HE3 0.01 0.02 0.03 -0.04 2.99 3.01 2dw5A1 LEU 334 H -0.03 0.17 0.15 -0.55 8.37 8.11 2dw5A1 LEU 334 HA -0.10 0.24 0.93 -0.75 4.35 4.67 2dw5A1 LEU 334 HB2 -0.04 0.09 -0.14 -0.04 1.64 1.51 2dw5A1 LEU 334 HB3 -0.02 -0.07 0.09 -0.04 1.64 1.60 2dw5A1 LEU 334 HG -0.02 -0.04 -0.10 -0.04 1.64 1.44 2dw5A1 LEU 334 HD13 0.00 -0.02 -0.40 -0.04 0.93 0.47 2dw5A1 LEU 334 HD23 -0.02 0.05 -0.16 -0.04 0.89 0.72 2dw5A1 THR 335 H -0.16 0.81 0.30 -0.55 8.28 8.69 2dw5A1 THR 335 HA 0.03 0.10 0.81 -0.75 4.39 4.58 2dw5A1 THR 335 HB 0.10 0.00 0.10 -0.04 4.32 4.48 2dw5A1 THR 335 HG23 -0.11 0.04 -0.22 -0.04 1.22 0.89 2dw5A1 ILE 336 H 0.08 0.23 0.15 -0.55 8.25 8.16 2dw5A1 ILE 336 HA 0.04 0.31 0.98 -0.75 4.18 4.75 2dw5A1 ILE 336 HB 0.04 -0.01 -0.03 -0.04 1.89 1.84 2dw5A1 ILE 336 HG12 0.04 -0.02 -0.27 -0.04 1.49 1.21 2dw5A1 ILE 336 HG13 0.03 0.06 -0.58 -0.04 1.21 0.68 2dw5A1 ILE 336 HG23 0.01 -0.05 -0.37 -0.04 0.93 0.48 2dw5A1 ILE 336 HD13 0.03 -0.00 -0.18 -0.04 0.88 0.68 2dw5A1 CYS 337 H -0.09 0.73 0.45 -0.55 8.50 9.04 2dw5A1 CYS 337 HA 0.01 0.24 0.92 -0.75 4.58 4.99 2dw5A1 CYS 337 HB2 -0.74 0.09 -0.03 -0.04 2.97 2.26 2dw5A1 CYS 337 HB3 -0.30 -0.04 0.11 -0.04 2.97 2.69 2dw5A1 PRO 338 HA -0.02 0.00 0.55 -0.51 4.44 4.46 2dw5A1 PRO 338 HB2 -0.00 -0.07 0.06 -0.04 2.28 2.23 2dw5A1 PRO 338 HB3 0.01 0.13 0.07 -0.04 2.02 2.18 2dw5A1 PRO 338 HG2 0.02 -0.13 0.07 -0.04 2.03 1.95 2dw5A1 PRO 338 HG3 0.03 0.17 0.08 -0.04 2.03 2.27 2dw5A1 PRO 338 HD2 0.04 0.09 0.22 -0.04 3.68 3.99 2dw5A1 PRO 338 HD3 0.05 0.40 0.28 -0.04 3.65 4.35 2dw5A1 GLU 339 H -0.03 0.17 0.17 -0.55 8.60 8.36 2dw5A1 GLU 339 HA -0.05 0.04 0.29 -0.75 4.29 3.81 2dw5A1 GLU 339 HB2 -0.04 0.08 0.05 -0.04 2.09 2.14 2dw5A1 GLU 339 HB3 -0.04 0.02 0.15 -0.04 1.99 2.08 2dw5A1 GLU 339 HG2 -0.02 -0.20 0.06 -0.04 2.34 2.14 2dw5A1 GLU 339 HG3 -0.02 0.08 -0.10 -0.04 2.34 2.25 2dw5A1 GLU 340 H -0.01 0.04 -0.25 -0.55 8.60 7.83 2dw5A1 GLU 340 HA -0.01 0.07 0.31 -0.75 4.29 3.91 2dw5A1 GLU 340 HB2 0.00 0.00 0.03 -0.04 2.09 2.08 2dw5A1 GLU 340 HB3 -0.00 0.07 0.01 -0.04 1.99 2.04 2dw5A1 GLU 340 HG2 -0.00 0.07 0.01 -0.04 2.34 2.38 2dw5A1 GLU 340 HG3 -0.01 -0.03 0.03 -0.04 2.34 2.29 2dw5A1 GLU 341 H -0.00 0.13 -0.14 -0.55 8.60 8.04 2dw5A1 GLU 341 HA 0.01 0.13 0.49 -0.75 4.29 4.16 2dw5A1 GLU 341 HB2 0.03 0.01 0.10 -0.04 2.09 2.19 2dw5A1 GLU 341 HB3 0.08 0.02 0.00 -0.04 1.99 2.05 2dw5A1 GLU 341 HG2 0.03 0.04 -0.05 -0.04 2.34 2.31 2dw5A1 GLU 341 HG3 0.03 -0.12 0.02 -0.04 2.34 2.22 2dw5A1 ASN 342 H -0.04 0.62 -0.10 -0.55 8.53 8.47 2dw5A1 ASN 342 HA -0.07 0.05 0.15 -0.75 4.76 4.14 2dw5A1 ASN 342 HB2 -0.07 -0.06 -0.06 -0.04 2.88 2.65 2dw5A1 ASN 342 HB3 -0.10 -0.11 -0.22 -0.04 2.79 2.31 2dw5A1 ASN 342 HD21 -0.09 0.08 -0.03 -0.04 7.03 6.95 2dw5A1 ASN 342 HD22 -0.10 -0.06 -0.25 -0.04 7.74 7.29 2dw5A1 MET 343 H -0.03 0.44 -0.39 -0.55 8.47 7.94 2dw5A1 MET 343 HA -0.03 0.06 0.27 -0.75 4.52 4.06 2dw5A1 MET 343 HB2 -0.02 0.26 -0.18 -0.04 2.15 2.17 2dw5A1 MET 343 HB3 -0.02 -0.11 0.33 -0.04 2.03 2.19 2dw5A1 MET 343 HG2 -0.02 0.08 0.07 -0.04 2.63 2.72 2dw5A1 MET 343 HG3 -0.02 0.00 0.07 -0.04 2.56 2.57 2dw5A1 MET 343 HE3 -0.02 -0.01 0.02 -0.04 2.10 2.06 2dw5A1 ASP 344 H -0.06 0.10 -0.24 -0.55 8.40 7.65 2dw5A1 ASP 344 HA -0.09 -0.02 0.18 -0.75 4.63 3.95 2dw5A1 ASP 344 HB2 -0.04 0.35 -0.02 -0.04 2.71 2.95 2dw5A1 ASP 344 HB3 -0.06 -0.03 0.16 -0.04 2.70 2.74 2dw5A1 ASP 345 H -0.08 0.38 -0.60 -0.55 8.40 7.55 2dw5A1 ASP 345 HA -0.09 0.06 0.52 -0.75 4.63 4.37 2dw5A1 ASP 345 HB2 -0.03 0.04 0.09 -0.04 2.71 2.78 2dw5A1 ASP 345 HB3 -0.06 0.10 0.06 -0.04 2.70 2.75 2dw5A1 GLN 346 H -0.51 0.25 0.18 -0.55 8.47 7.84 2dw5A1 GLN 346 HA -0.33 0.14 0.69 -0.75 4.36 4.11 2dw5A1 GLN 346 HB2 -0.69 -0.00 0.11 -0.04 2.15 1.52 2dw5A1 GLN 346 HB3 -0.62 0.05 0.01 -0.04 2.02 1.42 2dw5A1 GLN 346 HG2 -2.18 -0.04 -0.00 -0.04 2.40 0.14 2dw5A1 GLN 346 HG3 -2.05 -0.03 -0.19 -0.04 2.39 0.08 2dw5A1 GLN 346 HE21 -0.92 0.67 0.10 -0.04 6.97 6.79 2dw5A1 GLN 346 HE22 -2.22 -0.17 -0.13 -0.04 7.69 5.13 2dw5A1 TRP 347 H -0.16 0.03 -0.24 -0.55 7.97 7.05 2dw5A1 TRP 347 HA 0.07 0.31 0.54 -0.75 4.62 4.78 2dw5A1 TRP 347 HB2 -0.00 -0.07 0.17 -0.04 3.23 3.29 2dw5A1 TRP 347 HB3 0.05 0.05 0.13 -0.04 3.23 3.42 2dw5A1 TRP 347 HD1 -0.04 -0.04 0.04 -0.04 7.22 7.15 2dw5A1 TRP 347 HE1 -0.07 0.05 0.03 -0.04 10.20 10.17 2dw5A1 TRP 347 HE3 0.14 0.16 -0.39 -0.04 7.59 7.46 2dw5A1 TRP 347 HZ2 -0.08 0.09 -0.02 -0.04 7.44 7.40 2dw5A1 TRP 347 HZ3 0.29 -0.06 -0.26 -0.04 7.13 7.05 2dw5A1 TRP 347 HH2 0.08 0.06 -0.18 -0.04 7.19 7.11 2dw5A1 MET 348 H 0.07 0.50 0.03 -0.55 8.47 8.52 2dw5A1 MET 348 HA -0.00 -0.05 0.16 -0.75 4.52 3.87 2dw5A1 MET 348 HB2 -0.06 -0.08 -0.16 -0.04 2.15 1.81 2dw5A1 MET 348 HB3 0.06 0.25 -0.32 -0.04 2.03 1.98 2dw5A1 MET 348 HG2 0.06 -0.03 -0.54 -0.04 2.63 2.08 2dw5A1 MET 348 HG3 0.06 0.07 -0.42 -0.04 2.56 2.23 2dw5A1 MET 348 HE3 -0.70 -0.01 -0.18 -0.04 2.10 1.16 2dw5A1 GLN 349 H 0.19 0.33 -0.37 -0.55 8.47 8.07 2dw5A1 GLN 349 HA 0.07 0.23 0.60 -0.75 4.36 4.51 2dw5A1 GLN 349 HB2 0.08 0.42 0.23 -0.04 2.15 2.83 2dw5A1 GLN 349 HB3 0.21 -0.11 0.11 -0.04 2.02 2.19 2dw5A1 GLN 349 HG2 0.23 -0.18 -0.08 -0.04 2.40 2.32 2dw5A1 GLN 349 HG3 0.14 -0.17 -0.30 -0.04 2.39 2.03 2dw5A1 GLN 349 HE21 -0.34 -0.10 0.14 -0.04 6.97 6.64 2dw5A1 GLN 349 HE22 -0.24 0.48 0.24 -0.04 7.69 8.12 2dw5A1 ASP 350 H 0.13 0.52 -0.22 -0.55 8.40 8.28 2dw5A1 ASP 350 HA 0.05 -0.06 0.28 -0.75 4.63 4.14 2dw5A1 ASP 350 HB2 0.15 0.22 0.15 -0.04 2.71 3.19 2dw5A1 ASP 350 HB3 0.01 -0.06 0.06 -0.04 2.70 2.67 2dw5A1 GLU 351 H -0.01 0.20 0.00 -0.55 8.60 8.25 2dw5A1 GLU 351 HA -0.26 0.05 0.68 -0.75 4.29 4.01 2dw5A1 GLU 351 HB2 -0.02 0.04 -0.04 -0.04 2.09 2.03 2dw5A1 GLU 351 HB3 -0.08 0.09 -0.08 -0.04 1.99 1.88 2dw5A1 GLU 351 HG2 -0.04 -0.08 -0.11 -0.04 2.34 2.07 2dw5A1 GLU 351 HG3 -0.02 -0.06 -0.28 -0.04 2.34 1.93 2dw5A1 MET 352 H 0.01 0.24 -0.25 -0.55 8.47 7.92 2dw5A1 MET 352 HA 0.02 0.30 0.99 -0.75 4.52 5.07 2dw5A1 MET 352 HB2 0.05 0.04 -0.09 -0.04 2.15 2.11 2dw5A1 MET 352 HB3 0.02 -0.09 -0.41 -0.04 2.03 1.50 2dw5A1 MET 352 HG2 0.04 0.01 -0.12 -0.04 2.63 2.51 2dw5A1 MET 352 HG3 0.05 0.05 -0.46 -0.04 2.56 2.15 2dw5A1 MET 352 HE3 -0.49 0.00 -0.20 -0.04 2.10 1.37 2dw5A1 GLU 353 H 0.29 0.58 0.28 -0.55 8.60 9.20 2dw5A1 GLU 353 HA 0.24 0.16 0.77 -0.75 4.29 4.71 2dw5A1 GLU 353 HB2 0.17 0.04 -0.06 -0.04 2.09 2.20 2dw5A1 GLU 353 HB3 0.34 -0.07 0.10 -0.04 1.99 2.32 2dw5A1 GLU 353 HG2 0.41 -0.05 -0.10 -0.04 2.34 2.56 2dw5A1 GLU 353 HG3 0.37 0.03 -0.24 -0.04 2.34 2.46 2dw5A1 ILE 354 H 0.23 0.25 0.14 -0.55 8.25 8.31 2dw5A1 ILE 354 HA 0.38 0.11 0.82 -0.75 4.18 4.74 2dw5A1 ILE 354 HB 0.23 0.08 0.22 -0.04 1.89 2.38 2dw5A1 ILE 354 HG12 0.13 -0.09 -0.16 -0.04 1.49 1.34 2dw5A1 ILE 354 HG13 0.20 -0.01 -0.18 -0.04 1.21 1.18 2dw5A1 ILE 354 HG23 0.36 0.02 -0.08 -0.04 0.93 1.20 2dw5A1 ILE 354 HD13 0.18 -0.00 -0.20 -0.04 0.88 0.82 2dw5A1 GLY 355 H 0.51 0.53 0.31 -0.55 8.43 9.23 2dw5A1 GLY 355 HA2 -0.14 0.13 0.92 -0.51 4.01 4.40 2dw5A1 GLY 355 HA3 -0.81 0.01 0.41 -0.51 4.01 3.11 2dw5A1 TYR 356 H -0.71 0.50 0.42 -0.55 8.29 7.94 2dw5A1 TYR 356 HA 0.01 0.03 0.87 -0.75 4.56 4.72 2dw5A1 TYR 356 HB2 -0.02 0.09 -0.02 -0.04 3.06 3.07 2dw5A1 TYR 356 HB3 -0.07 0.06 -0.27 -0.04 2.98 2.65 2dw5A1 TYR 356 HD2 -0.05 0.03 -0.31 -0.04 7.15 6.78 2dw5A1 TYR 356 HE2 0.08 0.05 -0.15 -0.04 6.85 6.78 2dw5A1 ILE 357 H 0.20 0.59 0.36 -0.55 8.25 8.85 2dw5A1 ILE 357 HA -0.02 0.30 0.83 -0.75 4.18 4.54 2dw5A1 ILE 357 HB 0.14 -0.02 0.04 -0.04 1.89 2.01 2dw5A1 ILE 357 HG12 0.20 0.05 0.01 -0.04 1.49 1.71 2dw5A1 ILE 357 HG13 0.16 -0.04 -0.14 -0.04 1.21 1.15 2dw5A1 ILE 357 HG23 0.40 0.02 -0.21 -0.04 0.93 1.10 2dw5A1 ILE 357 HD13 0.15 -0.04 -0.04 -0.04 0.88 0.90 2dw5A1 GLN 358 H 0.28 0.26 0.16 -0.55 8.47 8.62 2dw5A1 GLN 358 HA 0.30 0.17 1.06 -0.75 4.36 5.13 2dw5A1 GLN 358 HB2 0.58 0.05 -0.27 -0.04 2.15 2.46 2dw5A1 GLN 358 HB3 0.70 -0.05 0.07 -0.04 2.02 2.70 2dw5A1 GLN 358 HG2 0.50 -0.06 -0.33 -0.04 2.40 2.47 2dw5A1 GLN 358 HG3 0.28 0.06 -0.09 -0.04 2.39 2.59 2dw5A1 GLN 358 HE21 0.12 0.33 -0.14 -0.04 6.97 7.24 2dw5A1 GLN 358 HE22 0.10 -0.03 -0.11 -0.04 7.69 7.61 2dw5A1 ALA 359 H 0.18 0.86 0.35 -0.55 8.40 9.25 2dw5A1 ALA 359 HA 0.39 0.15 0.72 -0.75 4.34 4.84 2dw5A1 ALA 359 HB3 -0.05 0.01 -0.01 -0.04 1.41 1.32 2dw5A1 PRO 360 HA 0.27 0.15 0.22 -0.51 4.44 4.56 2dw5A1 PRO 360 HB2 0.04 -0.11 -0.01 -0.04 2.28 2.16 2dw5A1 PRO 360 HB3 0.02 0.16 -0.17 -0.04 2.02 1.99 2dw5A1 PRO 360 HG2 -0.37 -0.12 0.11 -0.04 2.03 1.61 2dw5A1 PRO 360 HG3 -0.78 0.19 0.08 -0.04 2.03 1.48 2dw5A1 PRO 360 HD2 0.02 0.07 0.23 -0.04 3.68 3.96 2dw5A1 PRO 360 HD3 -0.44 0.17 0.24 -0.04 3.65 3.58 2dw5A1 HIS 361 H 0.08 0.04 -0.30 -0.55 8.41 7.69 2dw5A1 HIS 361 HA 0.06 0.16 0.62 -0.75 4.63 4.72 2dw5A1 HIS 361 HB2 0.06 0.05 0.15 -0.04 3.26 3.48 2dw5A1 HIS 361 HB3 0.05 -0.12 0.09 -0.04 3.20 3.17 2dw5A1 HIS 361 HD2 0.08 0.32 -0.13 -0.04 6.97 7.20 2dw5A1 HIS 361 HE1 0.08 0.05 0.00 -0.04 7.75 7.84 2dw5A1 LYS 362 H -0.15 0.45 -0.28 -0.55 8.42 7.89 2dw5A1 LYS 362 HA 0.01 0.05 0.67 -0.75 4.32 4.30 2dw5A1 LYS 362 HB2 0.01 0.25 -0.42 -0.04 1.87 1.67 2dw5A1 LYS 362 HB3 -0.22 -0.10 -0.10 -0.04 1.79 1.33 2dw5A1 LYS 362 HG2 0.06 -0.08 -0.19 -0.04 1.46 1.21 2dw5A1 LYS 362 HG3 0.04 -0.01 -0.30 -0.04 1.46 1.14 2dw5A1 LYS 362 HD2 0.04 0.01 0.08 -0.04 1.69 1.78 2dw5A1 LYS 362 HD3 0.07 0.13 0.06 -0.04 1.68 1.90 2dw5A1 LYS 362 HE2 0.06 -0.10 -0.18 -0.04 2.99 2.74 2dw5A1 LYS 362 HE3 0.05 0.02 -0.03 -0.04 2.99 2.98 2dw5A1 THR 363 H 0.04 0.25 0.20 -0.55 8.28 8.22 2dw5A1 THR 363 HA 0.14 0.23 1.09 -0.75 4.39 5.09 2dw5A1 THR 363 HB 0.03 -0.03 0.12 -0.04 4.32 4.40 2dw5A1 THR 363 HG23 0.06 0.02 -0.08 -0.04 1.22 1.17 2dw5A1 LEU 364 H 0.14 0.54 0.31 -0.55 8.37 8.81 2dw5A1 LEU 364 HA 0.01 0.21 0.56 -0.75 4.35 4.37 2dw5A1 LEU 364 HB2 0.03 0.22 0.02 -0.04 1.64 1.87 2dw5A1 LEU 364 HB3 0.05 0.01 0.01 -0.04 1.64 1.67 2dw5A1 LEU 364 HG 0.13 -0.05 -0.08 -0.04 1.64 1.59 2dw5A1 LEU 364 HD13 0.12 -0.02 -0.19 -0.04 0.93 0.80 2dw5A1 LEU 364 HD23 0.08 -0.02 -0.23 -0.04 0.89 0.68 2dw5A1 PRO 365 HA 0.02 0.24 0.89 -0.51 4.44 5.08 2dw5A1 PRO 365 HB2 -0.91 -0.01 0.03 -0.04 2.28 1.35 2dw5A1 PRO 365 HB3 -0.27 0.05 0.12 -0.04 2.02 1.89 2dw5A1 PRO 365 HG2 -1.06 0.03 0.26 -0.04 2.03 1.22 2dw5A1 PRO 365 HG3 -0.49 0.00 0.12 -0.04 2.03 1.62 2dw5A1 PRO 365 HD2 -0.13 0.33 0.39 -0.04 3.68 4.23 2dw5A1 PRO 365 HD3 -0.12 0.09 0.19 -0.04 3.65 3.77 2dw5A1 VAL 366 H 0.19 0.77 0.15 -0.55 8.24 8.81 2dw5A1 VAL 366 HA 0.36 0.14 0.66 -0.75 4.13 4.53 2dw5A1 VAL 366 HB 0.51 -0.04 -0.23 -0.04 2.12 2.33 2dw5A1 VAL 366 HG13 0.29 -0.03 -0.54 -0.04 0.97 0.66 2dw5A1 VAL 366 HG23 0.29 0.01 -0.34 -0.04 0.95 0.87 2dw5A1 VAL 367 H 0.36 0.81 0.12 -0.55 8.24 8.98 2dw5A1 VAL 367 HA 0.37 0.14 0.72 -0.75 4.13 4.60 2dw5A1 VAL 367 HB 0.09 -0.05 0.11 -0.04 2.12 2.24 2dw5A1 VAL 367 HG13 0.06 -0.03 -0.31 -0.04 0.97 0.65 2dw5A1 VAL 367 HG23 0.19 0.04 -0.12 -0.04 0.95 1.02 2dw5A1 PHE 368 H 0.37 0.83 0.37 -0.55 8.34 9.36 2dw5A1 PHE 368 HA -0.55 0.22 0.86 -0.75 4.62 4.39 2dw5A1 PHE 368 HB2 -1.54 0.01 -0.01 -0.04 3.15 1.56 2dw5A1 PHE 368 HB3 -0.29 -0.03 0.19 -0.04 3.06 2.89 2dw5A1 PHE 368 HD2 -0.74 0.11 -0.13 -0.04 7.28 6.48 2dw5A1 PHE 368 HE2 -0.48 -0.08 -0.16 -0.04 7.38 6.63 2dw5A1 PHE 368 HZ -0.32 -0.10 -0.08 -0.04 7.32 6.78 2dw5A1 ASP 369 H -0.28 0.80 0.39 -0.55 8.40 8.76 2dw5A1 ASP 369 HA -0.17 0.12 0.78 -0.75 4.63 4.60 2dw5A1 ASP 369 HB2 -0.11 -0.03 0.01 -0.04 2.71 2.53 2dw5A1 ASP 369 HB3 -0.27 -0.01 0.17 -0.04 2.70 2.55 2dw5A1 SER 370 H -0.58 0.91 0.42 -0.55 8.46 8.66 2dw5A1 SER 370 HA -0.90 0.07 0.47 -0.75 4.49 3.38 2dw5A1 SER 370 HB2 -3.13 0.03 0.05 -0.04 3.95 0.87 2dw5A1 SER 370 HB3 -0.87 -0.05 0.25 -0.04 3.93 3.23 2dw5A1 PRO 371 HA -0.17 0.11 0.34 -0.51 4.44 4.21 2dw5A1 PRO 371 HB2 -0.16 0.04 -0.00 -0.04 2.28 2.12 2dw5A1 PRO 371 HB3 -0.17 0.17 0.05 -0.04 2.02 2.03 2dw5A1 PRO 371 HG2 -0.17 -0.08 0.03 -0.04 2.03 1.77 2dw5A1 PRO 371 HG3 -0.17 -0.10 0.07 -0.04 2.03 1.80 2dw5A1 PRO 371 HD2 -0.41 0.13 0.26 -0.04 3.68 3.63 2dw5A1 PRO 371 HD3 -0.29 0.24 0.29 -0.04 3.65 3.85 2dw5A1 ARG 372 H -0.29 0.15 -0.47 -0.55 8.46 7.29 2dw5A1 ARG 372 HA -0.11 0.00 0.22 -0.75 4.34 3.69 2dw5A1 ARG 372 HB2 -0.09 -0.03 -0.02 -0.04 1.90 1.72 2dw5A1 ARG 372 HB3 -0.18 0.05 -0.08 -0.04 1.80 1.55 2dw5A1 ARG 372 HG2 -0.22 0.17 -0.09 -0.04 1.67 1.49 2dw5A1 ARG 372 HG3 -0.12 -0.12 -0.27 -0.04 1.67 1.13 2dw5A1 ARG 372 HD2 -0.04 -0.01 -0.11 -0.04 3.22 3.01 2dw5A1 ARG 372 HD3 -0.07 0.01 -0.08 -0.04 3.22 3.05 2dw5A1 ASN 373 H -0.14 0.22 -0.33 -0.55 8.53 7.74 2dw5A1 ASN 373 HA -0.06 -0.03 0.29 -0.75 4.76 4.20 2dw5A1 ASN 373 HB2 -0.07 0.11 -0.22 -0.04 2.88 2.66 2dw5A1 ASN 373 HB3 -0.05 -0.06 0.15 -0.04 2.79 2.80 2dw5A1 ASN 373 HD21 -0.07 -0.10 0.04 -0.04 7.03 6.86 2dw5A1 ASN 373 HD22 -0.06 0.24 0.13 -0.04 7.74 8.01 2dw5A1 ARG 374 H -0.05 -0.06 -0.26 -0.55 8.46 7.54 2dw5A1 ARG 374 HA -0.02 0.22 0.64 -0.75 4.34 4.43 2dw5A1 ARG 374 HB2 -0.01 0.04 -0.06 -0.04 1.90 1.83 2dw5A1 ARG 374 HB3 0.02 -0.16 0.08 -0.04 1.80 1.70 2dw5A1 ARG 374 HG2 0.06 -0.04 0.04 -0.04 1.67 1.69 2dw5A1 ARG 374 HG3 0.01 0.01 0.12 -0.04 1.67 1.78 2dw5A1 ARG 374 HD2 -0.00 0.01 0.01 -0.04 3.22 3.19 2dw5A1 ARG 374 HD3 -0.02 0.18 -0.07 -0.04 3.22 3.26 2dw5A1 GLY 375 H 0.00 0.12 0.12 -0.55 8.43 8.12 2dw5A1 GLY 375 HA2 -0.01 0.08 0.39 -0.51 4.01 3.96 2dw5A1 GLY 375 HA3 -0.02 0.18 0.41 -0.51 4.01 4.07 2dw5A1 LEU 376 H -0.01 -0.04 -0.29 -0.55 8.37 7.48 2dw5A1 LEU 376 HA 0.00 0.18 0.58 -0.75 4.35 4.36 2dw5A1 LEU 376 HB2 -0.01 -0.08 -0.05 -0.04 1.64 1.46 2dw5A1 LEU 376 HB3 0.01 0.03 -0.02 -0.04 1.64 1.62 2dw5A1 LEU 376 HG -0.14 0.03 -0.10 -0.04 1.64 1.39 2dw5A1 LEU 376 HD13 -0.15 0.00 -0.10 -0.04 0.93 0.64 2dw5A1 LEU 376 HD23 -0.07 -0.01 -0.33 -0.04 0.89 0.45 2dw5A1 LYS 377 H -0.01 0.55 -0.60 -0.55 8.42 7.81 2dw5A1 LYS 377 HA -0.02 -0.02 0.17 -0.75 4.32 3.69 2dw5A1 LYS 377 HB2 -0.03 0.08 -0.03 -0.04 1.87 1.86 2dw5A1 LYS 377 HB3 -0.01 0.01 0.01 -0.04 1.79 1.76 2dw5A1 LYS 377 HG2 -0.02 -0.04 -0.19 -0.04 1.46 1.17 2dw5A1 LYS 377 HG3 -0.03 -0.01 0.02 -0.04 1.46 1.39 2dw5A1 LYS 377 HD2 -0.03 0.13 -0.00 -0.04 1.69 1.75 2dw5A1 LYS 377 HD3 -0.02 -0.04 -0.04 -0.04 1.68 1.53 2dw5A1 LYS 377 HE2 -0.03 -0.05 -0.04 -0.04 2.99 2.83 2dw5A1 LYS 377 HE3 -0.03 0.05 0.01 -0.04 2.99 2.97 2dw5A1 GLU 378 H 0.03 0.16 -0.42 -0.55 8.60 7.82 2dw5A1 GLU 378 HA -0.01 0.14 0.51 -0.75 4.29 4.18 2dw5A1 GLU 378 HB2 0.03 0.07 0.03 -0.04 2.09 2.18 2dw5A1 GLU 378 HB3 0.00 -0.04 0.02 -0.04 1.99 1.93 2dw5A1 GLU 378 HG2 -0.01 0.01 -0.06 -0.04 2.34 2.25 2dw5A1 GLU 378 HG3 -0.01 0.00 -0.01 -0.04 2.34 2.28 2dw5A1 PHE 379 H 0.16 0.36 -0.18 -0.55 8.34 8.13 2dw5A1 PHE 379 HA -0.03 -0.05 0.15 -0.75 4.62 3.94 2dw5A1 PHE 379 HB2 -0.02 -0.06 0.02 -0.04 3.15 3.05 2dw5A1 PHE 379 HB3 -0.04 0.13 -0.01 -0.04 3.06 3.11 2dw5A1 PHE 379 HD2 -0.04 -0.01 -0.17 -0.04 7.28 7.02 2dw5A1 PHE 379 HE2 -0.07 0.03 -0.19 -0.04 7.38 7.12 2dw5A1 PHE 379 HZ 0.23 0.03 -0.22 -0.04 7.32 7.31 2dw5A1 PRO 380 HA -0.18 0.06 0.48 -0.51 4.44 4.30 2dw5A1 PRO 380 HB2 0.21 0.07 -0.09 -0.04 2.28 2.43 2dw5A1 PRO 380 HB3 0.06 0.03 -0.05 -0.04 2.02 2.02 2dw5A1 PRO 380 HG2 0.03 0.10 -0.06 -0.04 2.03 2.06 2dw5A1 PRO 380 HG3 0.07 -0.02 -0.14 -0.04 2.03 1.91 2dw5A1 PRO 380 HD2 0.06 0.24 -0.36 -0.04 3.68 3.58 2dw5A1 PRO 380 HD3 0.16 0.17 -0.04 -0.04 3.65 3.89 2dw5A1 ILE 381 H -0.03 0.21 -0.29 -0.55 8.25 7.60 2dw5A1 ILE 381 HA -0.24 0.08 0.45 -0.75 4.18 3.72 2dw5A1 ILE 381 HB -0.09 0.03 0.19 -0.04 1.89 1.97 2dw5A1 ILE 381 HG12 -0.45 -0.01 -0.02 -0.04 1.49 0.97 2dw5A1 ILE 381 HG13 -0.03 -0.01 0.01 -0.04 1.21 1.14 2dw5A1 ILE 381 HG23 -0.18 -0.01 -0.10 -0.04 0.93 0.60 2dw5A1 ILE 381 HD13 -0.08 -0.01 -0.01 -0.04 0.88 0.74 2dw5A1 LYS 382 H -0.09 0.75 0.09 -0.55 8.42 8.62 2dw5A1 LYS 382 HA -0.09 0.09 0.29 -0.75 4.32 3.86 2dw5A1 LYS 382 HB2 -0.04 -0.00 -0.02 -0.04 1.87 1.77 2dw5A1 LYS 382 HB3 -0.04 -0.03 -0.10 -0.04 1.79 1.58 2dw5A1 LYS 382 HG2 -0.04 0.03 -0.01 -0.04 1.46 1.40 2dw5A1 LYS 382 HG3 -0.04 -0.02 -0.01 -0.04 1.46 1.35 2dw5A1 LYS 382 HD2 -0.02 -0.03 -0.03 -0.04 1.69 1.57 2dw5A1 LYS 382 HD3 -0.00 -0.04 -0.06 -0.04 1.68 1.55 2dw5A1 LYS 382 HE2 -0.01 0.01 -0.06 -0.04 2.99 2.89 2dw5A1 LYS 382 HE3 -0.02 0.03 -0.03 -0.04 2.99 2.93 2dw5A1 ARG 383 H -0.30 0.22 -0.03 -0.55 8.46 7.80 2dw5A1 ARG 383 HA -0.15 0.38 0.62 -0.75 4.34 4.44 2dw5A1 ARG 383 HB2 -0.09 -0.15 -0.10 -0.04 1.90 1.52 2dw5A1 ARG 383 HB3 -0.11 -0.04 0.14 -0.04 1.80 1.76 2dw5A1 ARG 383 HG2 -0.06 0.09 0.11 -0.04 1.67 1.77 2dw5A1 ARG 383 HG3 -0.05 0.10 -0.15 -0.04 1.67 1.53 2dw5A1 ARG 383 HD2 -0.01 -0.02 0.01 -0.04 3.22 3.17 2dw5A1 ARG 383 HD3 -0.01 -0.03 -0.00 -0.04 3.22 3.14 2dw5A1 VAL 384 H -0.41 0.16 -0.06 -0.55 8.24 7.37 2dw5A1 VAL 384 HA -0.52 0.14 0.72 -0.75 4.13 3.71 2dw5A1 VAL 384 HB -0.40 -0.01 0.15 -0.04 2.12 1.82 2dw5A1 VAL 384 HG13 -0.72 -0.00 -0.20 -0.04 0.97 0.01 2dw5A1 VAL 384 HG23 -0.70 -0.02 -0.17 -0.04 0.95 0.02 2dw5A1 MET 385 H -0.18 0.49 0.07 -0.55 8.47 8.31 2dw5A1 MET 385 HA 0.04 0.12 0.50 -0.75 4.52 4.43 2dw5A1 MET 385 HB2 0.05 -0.02 0.12 -0.04 2.15 2.26 2dw5A1 MET 385 HB3 -0.09 0.21 0.10 -0.04 2.03 2.22 2dw5A1 MET 385 HG2 0.03 -0.03 -0.23 -0.04 2.63 2.36 2dw5A1 MET 385 HG3 0.15 0.02 0.01 -0.04 2.56 2.70 2dw5A1 MET 385 HE3 0.02 -0.05 -0.38 -0.04 2.10 1.65 2dw5A1 GLY 386 H 0.14 0.51 0.29 -0.55 8.43 8.83 2dw5A1 GLY 386 HA2 0.03 0.07 0.33 -0.51 4.01 3.93 2dw5A1 GLY 386 HA3 0.04 0.12 0.30 -0.51 4.01 3.96 2dw5A1 PRO 387 HA 0.07 -0.16 0.32 -0.51 4.44 4.15 2dw5A1 PRO 387 HB2 0.07 0.04 0.12 -0.04 2.28 2.47 2dw5A1 PRO 387 HB3 0.05 -0.05 0.08 -0.04 2.02 2.06 2dw5A1 PRO 387 HG2 0.03 -0.01 0.08 -0.04 2.03 2.09 2dw5A1 PRO 387 HG3 0.03 0.09 0.10 -0.04 2.03 2.21 2dw5A1 PRO 387 HD2 0.06 0.12 0.13 -0.04 3.68 3.95 2dw5A1 PRO 387 HD3 0.03 0.18 0.21 -0.04 3.65 4.03 2dw5A1 ASP 388 H 0.09 -0.02 0.14 -0.55 8.40 8.07 2dw5A1 ASP 388 HA 0.08 -0.05 0.28 -0.75 4.63 4.19 2dw5A1 ASP 388 HB2 0.06 0.14 -0.10 -0.04 2.71 2.78 2dw5A1 ASP 388 HB3 0.04 0.07 0.26 -0.04 2.70 3.02 2dw5A1 PHE 389 H 0.22 0.31 -0.21 -0.55 8.34 8.10 2dw5A1 PHE 389 HA 0.12 0.33 0.74 -0.75 4.62 5.05 2dw5A1 PHE 389 HB2 0.07 0.00 -0.39 -0.04 3.15 2.80 2dw5A1 PHE 389 HB3 0.08 -0.06 0.11 -0.04 3.06 3.14 2dw5A1 PHE 389 HD2 0.11 0.03 -0.19 -0.04 7.28 7.19 2dw5A1 PHE 389 HE2 0.16 -0.08 -0.18 -0.04 7.38 7.23 2dw5A1 PHE 389 HZ 0.19 -0.07 -0.11 -0.04 7.32 7.28 2dw5A1 GLY 390 H 0.26 0.84 0.32 -0.55 8.43 9.30 2dw5A1 GLY 390 HA2 0.25 0.06 0.43 -0.51 4.01 4.24 2dw5A1 GLY 390 HA3 0.27 -0.03 0.18 -0.51 4.01 3.92 2dw5A1 TYR 391 H 0.30 0.51 0.29 -0.55 8.29 8.84 2dw5A1 TYR 391 HA 0.12 0.23 0.98 -0.75 4.56 5.14 2dw5A1 TYR 391 HB2 0.06 0.05 -0.08 -0.04 3.06 3.04 2dw5A1 TYR 391 HB3 0.06 0.01 0.12 -0.04 2.98 3.14 2dw5A1 TYR 391 HD2 0.01 0.02 -0.18 -0.04 7.15 6.96 2dw5A1 TYR 391 HE2 -0.04 -0.07 -0.17 -0.04 6.85 6.53 2dw5A1 VAL 392 H -0.98 0.56 0.35 -0.55 8.24 7.62 2dw5A1 VAL 392 HA -0.14 0.07 0.53 -0.75 4.13 3.84 2dw5A1 VAL 392 HB -0.69 -0.05 -0.18 -0.04 2.12 1.16 2dw5A1 VAL 392 HG13 -0.61 0.01 -0.02 -0.04 0.97 0.31 2dw5A1 VAL 392 HG23 -0.38 0.04 -0.38 -0.04 0.95 0.19 2dw5A1 THR 393 H -0.18 0.29 0.22 -0.55 8.28 8.06 2dw5A1 THR 393 HA -0.13 0.23 0.82 -0.75 4.39 4.57 2dw5A1 THR 393 HB -0.06 -0.05 -0.19 -0.04 4.32 3.99 2dw5A1 THR 393 HG23 0.05 -0.02 -0.15 -0.04 1.22 1.05 2dw5A1 ARG 394 H -0.09 0.36 0.23 -0.55 8.46 8.41 2dw5A1 ARG 394 HA -0.09 0.14 0.69 -0.75 4.34 4.32 2dw5A1 ARG 394 HB2 0.06 0.00 -0.04 -0.04 1.90 1.88 2dw5A1 ARG 394 HB3 -0.03 -0.14 -0.07 -0.04 1.80 1.51 2dw5A1 ARG 394 HG2 -0.65 0.00 -0.36 -0.04 1.67 0.63 2dw5A1 ARG 394 HG3 -0.44 0.04 -0.05 -0.04 1.67 1.18 2dw5A1 ARG 394 HD2 -0.07 -0.14 0.08 -0.04 3.22 3.06 2dw5A1 ARG 394 HD3 -0.15 0.24 0.28 -0.04 3.22 3.55 2dw5A1 GLY 395 H -0.08 0.07 0.07 -0.55 8.43 7.95 2dw5A1 GLY 395 HA2 -0.29 -0.09 0.33 -0.51 4.01 3.45 2dw5A1 GLY 395 HA3 -0.24 0.15 0.40 -0.51 4.01 3.82 2dw5A1 PRO 396 HA -0.10 0.04 0.54 -0.51 4.44 4.41 2dw5A1 PRO 396 HB2 -0.09 0.07 -0.04 -0.04 2.28 2.19 2dw5A1 PRO 396 HB3 -0.10 0.02 0.12 -0.04 2.02 2.02 2dw5A1 PRO 396 HG2 -0.21 -0.00 -0.07 -0.04 2.03 1.71 2dw5A1 PRO 396 HG3 -0.23 0.09 0.10 -0.04 2.03 1.95 2dw5A1 PRO 396 HD2 -0.67 0.08 0.20 -0.04 3.68 3.26 2dw5A1 PRO 396 HD3 -0.93 0.03 0.20 -0.04 3.65 2.90 2dw5A1 GLN 397 H -0.07 0.08 0.18 -0.55 8.47 8.12 2dw5A1 GLN 397 HA -0.08 0.30 0.63 -0.75 4.36 4.45 2dw5A1 GLN 397 HB2 -0.05 -0.05 0.06 -0.04 2.15 2.07 2dw5A1 GLN 397 HB3 -0.05 0.03 0.07 -0.04 2.02 2.04 2dw5A1 GLN 397 HG2 -0.07 0.12 -0.11 -0.04 2.40 2.30 2dw5A1 GLN 397 HG3 -0.04 -0.02 -0.05 -0.04 2.39 2.23 2dw5A1 GLN 397 HE21 -0.11 0.03 -0.16 -0.04 6.97 6.69 2dw5A1 GLN 397 HE22 -0.09 0.09 -0.33 -0.04 7.69 7.32 2dw5A1 THR 398 H -0.05 0.02 0.00 -0.55 8.28 7.70 2dw5A1 THR 398 HA -0.04 0.30 0.93 -0.75 4.39 4.83 2dw5A1 THR 398 HB -0.02 0.02 0.14 -0.04 4.32 4.41 2dw5A1 THR 398 HG23 -0.03 -0.01 -0.03 -0.04 1.22 1.11 2dw5A1 GLY 399 H -0.05 0.07 -0.33 -0.55 8.43 7.57 2dw5A1 GLY 399 HA2 -0.04 0.01 0.30 -0.51 4.01 3.78 2dw5A1 GLY 399 HA3 -0.03 0.17 0.64 -0.51 4.01 4.28 2dw5A1 GLY 400 H -0.02 0.03 0.18 -0.55 8.43 8.07 2dw5A1 GLY 400 HA2 0.01 0.03 0.29 -0.51 4.01 3.84 2dw5A1 GLY 400 HA3 0.01 0.14 0.78 -0.51 4.01 4.43 2dw5A1 ILE 401 H -0.01 0.09 0.23 -0.55 8.25 8.01 2dw5A1 ILE 401 HA 0.03 0.11 0.59 -0.75 4.18 4.15 2dw5A1 ILE 401 HB -0.05 -0.09 -0.01 -0.04 1.89 1.71 2dw5A1 ILE 401 HG12 -0.10 0.20 -0.32 -0.04 1.49 1.23 2dw5A1 ILE 401 HG13 -0.07 -0.07 -0.04 -0.04 1.21 0.99 2dw5A1 ILE 401 HG23 -0.04 0.06 -0.16 -0.04 0.93 0.74 2dw5A1 ILE 401 HD13 -0.12 0.02 -0.20 -0.04 0.88 0.54 2dw5A1 SER 402 H 0.01 0.13 0.22 -0.55 8.46 8.27 2dw5A1 SER 402 HA -0.01 0.27 0.95 -0.75 4.49 4.95 2dw5A1 SER 402 HB2 0.03 -0.16 -0.02 -0.04 3.95 3.76 2dw5A1 SER 402 HB3 0.01 -0.01 0.20 -0.04 3.93 4.09 2dw5A1 GLY 403 H -0.01 0.23 0.16 -0.55 8.43 8.27 2dw5A1 GLY 403 HA2 0.02 0.07 0.61 -0.51 4.01 4.20 2dw5A1 GLY 403 HA3 0.02 0.22 0.37 -0.51 4.01 4.10 2dw5A1 LEU 404 H 0.04 0.04 -0.22 -0.55 8.37 7.68 2dw5A1 LEU 404 HA 0.10 0.23 0.43 -0.75 4.35 4.36 2dw5A1 LEU 404 HB2 0.08 -0.08 -0.37 -0.04 1.64 1.23 2dw5A1 LEU 404 HB3 0.11 0.14 0.09 -0.04 1.64 1.95 2dw5A1 LEU 404 HG 0.05 -0.14 -0.21 -0.04 1.64 1.30 2dw5A1 LEU 404 HD13 0.10 -0.02 -0.27 -0.04 0.93 0.70 2dw5A1 LEU 404 HD23 0.05 0.05 -0.08 -0.04 0.89 0.87 2dw5A1 ASP 405 H 0.01 0.24 -0.55 -0.55 8.40 7.55 2dw5A1 ASP 405 HA 0.05 0.17 0.86 -0.75 4.63 4.96 2dw5A1 ASP 405 HB2 -0.05 0.14 0.11 -0.04 2.71 2.87 2dw5A1 ASP 405 HB3 -0.08 0.02 0.17 -0.04 2.70 2.77 2dw5A1 SER 406 H -0.05 0.35 -0.22 -0.55 8.46 7.99 2dw5A1 SER 406 HA -0.22 0.25 0.75 -0.75 4.49 4.52 2dw5A1 SER 406 HB2 -0.17 0.09 0.13 -0.04 3.95 3.96 2dw5A1 SER 406 HB3 -0.06 -0.12 0.11 -0.04 3.93 3.82 2dw5A1 PHE 407 H -0.04 0.51 0.31 -0.55 8.34 8.56 2dw5A1 PHE 407 HA -0.09 0.06 0.16 -0.75 4.62 4.00 2dw5A1 PHE 407 HB2 -0.06 0.08 -0.01 -0.04 3.15 3.11 2dw5A1 PHE 407 HB3 0.00 0.10 0.08 -0.04 3.06 3.20 2dw5A1 PHE 407 HD2 -0.15 -0.07 -0.49 -0.04 7.28 6.54 2dw5A1 PHE 407 HE2 -0.67 0.01 -0.23 -0.04 7.38 6.45 2dw5A1 PHE 407 HZ -1.45 -0.05 -0.16 -0.04 7.32 5.62 2dw5A1 GLY 408 H -0.06 -0.04 -0.39 -0.55 8.43 7.40 2dw5A1 GLY 408 HA2 0.16 0.23 0.64 -0.51 4.01 4.53 2dw5A1 GLY 408 HA3 0.10 -0.09 0.17 -0.51 4.01 3.68 2dw5A1 ASN 409 H -0.32 0.68 -0.11 -0.55 8.53 8.23 2dw5A1 ASN 409 HA 0.01 -0.27 0.89 -0.75 4.76 4.64 2dw5A1 ASN 409 HB2 -0.25 -0.05 0.12 -0.04 2.88 2.66 2dw5A1 ASN 409 HB3 -0.02 0.30 0.11 -0.04 2.79 3.14 2dw5A1 ASN 409 HD21 0.21 0.37 0.30 -0.04 7.03 7.86 2dw5A1 ASN 409 HD22 0.13 0.38 0.26 -0.04 7.74 8.47 2dw5A1 LEU 410 H 0.05 0.34 -0.56 -0.55 8.37 7.66 2dw5A1 LEU 410 HA 0.09 0.19 0.96 -0.75 4.35 4.83 2dw5A1 LEU 410 HB2 -0.19 -0.08 -0.09 -0.04 1.64 1.24 2dw5A1 LEU 410 HB3 -0.14 0.11 0.18 -0.04 1.64 1.75 2dw5A1 LEU 410 HG -0.00 0.04 -0.17 -0.04 1.64 1.47 2dw5A1 LEU 410 HD13 0.02 0.02 -0.02 -0.04 0.93 0.90 2dw5A1 LEU 410 HD23 -0.76 -0.02 -0.09 -0.04 0.89 -0.01 2dw5A1 GLU 411 H 0.10 0.73 0.31 -0.55 8.60 9.20 2dw5A1 GLU 411 HA 0.09 0.17 0.70 -0.75 4.29 4.49 2dw5A1 GLU 411 HB2 0.07 -0.04 -0.06 -0.04 2.09 2.02 2dw5A1 GLU 411 HB3 0.09 0.01 0.09 -0.04 1.99 2.14 2dw5A1 GLU 411 HG2 0.06 -0.12 -0.59 -0.04 2.34 1.65 2dw5A1 GLU 411 HG3 0.01 -0.07 -0.19 -0.04 2.34 2.05 2dw5A1 VAL 412 H 0.03 0.23 0.14 -0.55 8.24 8.09 2dw5A1 VAL 412 HA -0.02 0.14 0.79 -0.75 4.13 4.29 2dw5A1 VAL 412 HB -0.07 0.15 -0.53 -0.04 2.12 1.64 2dw5A1 VAL 412 HG13 -0.04 0.00 -0.28 -0.04 0.97 0.61 2dw5A1 VAL 412 HG23 -0.00 -0.02 -0.43 -0.04 0.95 0.45 2dw5A1 SER 413 H -0.17 0.46 0.17 -0.55 8.46 8.38 2dw5A1 SER 413 HA -1.01 0.04 0.46 -0.75 4.49 3.22 2dw5A1 SER 413 HB2 -0.58 0.01 0.10 -0.04 3.95 3.43 2dw5A1 SER 413 HB3 -0.21 -0.03 0.08 -0.04 3.93 3.73 2dw5A1 PRO 414 HA -0.18 0.11 0.60 -0.51 4.44 4.47 2dw5A1 PRO 414 HB2 -0.75 0.15 -0.07 -0.04 2.28 1.56 2dw5A1 PRO 414 HB3 -0.24 0.05 0.06 -0.04 2.02 1.85 2dw5A1 PRO 414 HG2 -1.14 0.02 -0.03 -0.04 2.03 0.84 2dw5A1 PRO 414 HG3 -0.51 -0.07 -0.01 -0.04 2.03 1.40 2dw5A1 PRO 414 HD2 -1.60 0.10 0.12 -0.04 3.68 2.25 2dw5A1 PRO 414 HD3 -2.47 0.05 0.16 -0.04 3.65 1.35 2dw5A1 PRO 415 HA -0.17 -0.01 0.42 -0.51 4.44 4.17 2dw5A1 PRO 415 HB2 -0.03 -0.03 -0.00 -0.04 2.28 2.18 2dw5A1 PRO 415 HB3 -0.18 0.00 0.09 -0.04 2.02 1.89 2dw5A1 PRO 415 HG2 0.10 -0.01 0.06 -0.04 2.03 2.14 2dw5A1 PRO 415 HG3 -0.18 0.15 -0.01 -0.04 2.03 1.95 2dw5A1 PRO 415 HD2 0.04 0.11 0.13 -0.04 3.68 3.91 2dw5A1 PRO 415 HD3 0.19 0.10 0.10 -0.04 3.65 4.01 2dw5A1 VAL 416 H -0.04 0.56 0.35 -0.55 8.24 8.56 2dw5A1 VAL 416 HA 0.07 0.08 0.67 -0.75 4.13 4.18 2dw5A1 VAL 416 HB -0.01 0.10 -0.17 -0.04 2.12 2.00 2dw5A1 VAL 416 HG13 -0.06 -0.03 -0.04 -0.04 0.97 0.79 2dw5A1 VAL 416 HG23 0.08 0.13 0.03 -0.04 0.95 1.15 2dw5A1 THR 417 H 0.06 0.26 0.16 -0.55 8.28 8.21 2dw5A1 THR 417 HA 0.04 0.26 0.71 -0.75 4.39 4.65 2dw5A1 THR 417 HB 0.02 -0.02 0.03 -0.04 4.32 4.30 2dw5A1 THR 417 HG23 -0.01 -0.05 -0.40 -0.04 1.22 0.72 2dw5A1 VAL 418 H 0.07 0.74 0.01 -0.55 8.24 8.52 2dw5A1 VAL 418 HA 0.05 0.14 0.87 -0.75 4.13 4.45 2dw5A1 VAL 418 HB 0.21 0.02 0.03 -0.04 2.12 2.33 2dw5A1 VAL 418 HG13 0.03 -0.01 -0.16 -0.04 0.97 0.79 2dw5A1 VAL 418 HG23 0.10 0.09 -0.50 -0.04 0.95 0.60 2dw5A1 ARG 419 H 0.02 0.21 0.10 -0.55 8.46 8.24 2dw5A1 ARG 419 HA 0.01 -0.01 0.33 -0.75 4.34 3.91 2dw5A1 ARG 419 HB2 0.02 0.14 -0.09 -0.04 1.90 1.92 2dw5A1 ARG 419 HB3 0.00 -0.03 0.20 -0.04 1.80 1.93 2dw5A1 ARG 419 HG2 0.00 -0.04 0.08 -0.04 1.67 1.67 2dw5A1 ARG 419 HG3 0.01 0.03 0.02 -0.04 1.67 1.69 2dw5A1 ARG 419 HD2 -0.00 -0.04 0.02 -0.04 3.22 3.16 2dw5A1 ARG 419 HD3 -0.00 -0.02 0.02 -0.04 3.22 3.17 2dw5A1 GLY 420 H 0.00 0.06 -0.40 -0.55 8.43 7.54 2dw5A1 GLY 420 HA2 -0.01 -0.03 0.23 -0.51 4.01 3.68 2dw5A1 GLY 420 HA3 -0.01 0.11 0.39 -0.51 4.01 3.99 2dw5A1 LYS 421 H -0.01 0.72 -0.42 -0.55 8.42 8.15 2dw5A1 LYS 421 HA -0.12 0.09 0.83 -0.75 4.32 4.36 2dw5A1 LYS 421 HB2 -0.07 -0.02 0.08 -0.04 1.87 1.83 2dw5A1 LYS 421 HB3 -0.04 0.02 0.09 -0.04 1.79 1.82 2dw5A1 LYS 421 HG2 -0.62 0.17 -0.22 -0.04 1.46 0.73 2dw5A1 LYS 421 HG3 -0.23 -0.05 0.08 -0.04 1.46 1.22 2dw5A1 LYS 421 HD2 -0.08 -0.09 0.01 -0.04 1.69 1.49 2dw5A1 LYS 421 HD3 -0.15 -0.00 -0.05 -0.04 1.68 1.44 2dw5A1 LYS 421 HE2 -0.13 -0.07 0.05 -0.04 2.99 2.80 2dw5A1 LYS 421 HE3 -0.16 0.03 0.02 -0.04 2.99 2.84 2dw5A1 GLU 422 H -0.20 0.14 0.21 -0.55 8.60 8.20 2dw5A1 GLU 422 HA -0.12 0.05 0.59 -0.75 4.29 4.05 2dw5A1 GLU 422 HB2 -0.18 -0.02 0.18 -0.04 2.09 2.03 2dw5A1 GLU 422 HB3 -0.22 0.02 -0.11 -0.04 1.99 1.64 2dw5A1 GLU 422 HG2 -0.09 0.01 -0.04 -0.04 2.34 2.17 2dw5A1 GLU 422 HG3 -0.08 0.00 0.01 -0.04 2.34 2.23 2dw5A1 TYR 423 H -0.03 0.85 0.31 -0.55 8.29 8.87 2dw5A1 TYR 423 HA -0.17 0.19 0.80 -0.75 4.56 4.63 2dw5A1 TYR 423 HB2 -0.12 0.02 0.21 -0.04 3.06 3.13 2dw5A1 TYR 423 HB3 -0.15 0.07 0.02 -0.04 2.98 2.88 2dw5A1 TYR 423 HD2 -0.09 0.03 -0.13 -0.04 7.15 6.92 2dw5A1 TYR 423 HE2 -0.06 -0.03 -0.07 -0.04 6.85 6.64 2dw5A1 PRO 424 HA -0.35 0.08 0.43 -0.51 4.44 4.08 2dw5A1 PRO 424 HB2 -1.39 0.01 0.00 -0.04 2.28 0.86 2dw5A1 PRO 424 HB3 -0.75 -0.01 0.03 -0.04 2.02 1.24 2dw5A1 PRO 424 HG2 -0.85 0.07 -0.08 -0.04 2.03 1.12 2dw5A1 PRO 424 HG3 -0.90 0.02 -0.04 -0.04 2.03 1.07 2dw5A1 PRO 424 HD2 -0.26 0.20 0.10 -0.04 3.68 3.67 2dw5A1 PRO 424 HD3 -0.33 0.13 -0.28 -0.04 3.65 3.13 2dw5A1 LEU 425 H -0.32 0.20 -0.30 -0.55 8.37 7.41 2dw5A1 LEU 425 HA -1.54 0.14 0.80 -0.75 4.35 2.99 2dw5A1 LEU 425 HB2 -0.19 0.17 -0.01 -0.04 1.64 1.57 2dw5A1 LEU 425 HB3 -0.32 0.00 0.12 -0.04 1.64 1.41 2dw5A1 LEU 425 HG -0.27 -0.12 -0.22 -0.04 1.64 0.98 2dw5A1 LEU 425 HD13 0.14 -0.00 -0.06 -0.04 0.93 0.97 2dw5A1 LEU 425 HD23 -0.13 0.02 -0.15 -0.04 0.89 0.58 2dw5A1 GLY 426 H -0.24 0.24 -0.29 -0.55 8.43 7.60 2dw5A1 GLY 426 HA2 -0.16 0.09 0.13 -0.51 4.01 3.56 2dw5A1 GLY 426 HA3 -0.15 0.32 0.23 -0.51 4.01 3.90 2dw5A1 ARG 427 H -0.17 0.08 0.10 -0.55 8.46 7.93 2dw5A1 ARG 427 HA -0.12 0.20 0.64 -0.75 4.34 4.30 2dw5A1 ARG 427 HB2 -0.20 -0.16 0.03 -0.04 1.90 1.53 2dw5A1 ARG 427 HB3 -0.19 0.18 -0.11 -0.04 1.80 1.64 2dw5A1 ARG 427 HG2 -0.50 -0.01 -0.44 -0.04 1.67 0.68 2dw5A1 ARG 427 HG3 -0.58 -0.02 -0.12 -0.04 1.67 0.90 2dw5A1 ARG 427 HD2 -0.30 0.56 -0.02 -0.04 3.22 3.41 2dw5A1 ARG 427 HD3 -0.79 -0.11 -0.11 -0.04 3.22 2.18 2dw5A1 ILE 428 H -0.03 0.69 0.16 -0.55 8.25 8.52 2dw5A1 ILE 428 HA 0.02 0.07 0.74 -0.75 4.18 4.26 2dw5A1 ILE 428 HB 0.07 0.06 0.12 -0.04 1.89 2.10 2dw5A1 ILE 428 HG12 0.03 -0.02 0.01 -0.04 1.49 1.47 2dw5A1 ILE 428 HG13 -0.02 0.03 0.05 -0.04 1.21 1.23 2dw5A1 ILE 428 HG23 0.19 -0.01 -0.11 -0.04 0.93 0.96 2dw5A1 ILE 428 HD13 0.06 -0.00 -0.00 -0.04 0.88 0.89 2dw5A1 LEU 429 H 0.08 0.85 0.32 -0.55 8.37 9.08 2dw5A1 LEU 429 HA 0.00 0.25 0.80 -0.75 4.35 4.65 2dw5A1 LEU 429 HB2 0.06 -0.04 -0.15 -0.04 1.64 1.47 2dw5A1 LEU 429 HB3 0.05 -0.11 -0.12 -0.04 1.64 1.42 2dw5A1 LEU 429 HG 0.07 -0.08 -0.12 -0.04 1.64 1.46 2dw5A1 LEU 429 HD13 -0.01 0.06 -0.20 -0.04 0.93 0.74 2dw5A1 LEU 429 HD23 0.18 -0.02 -0.22 -0.04 0.89 0.79 2dw5A1 PHE 430 H -0.22 0.56 0.29 -0.55 8.34 8.42 2dw5A1 PHE 430 HA 0.04 0.16 0.56 -0.75 4.62 4.63 2dw5A1 PHE 430 HB2 0.04 0.10 0.25 -0.04 3.15 3.50 2dw5A1 PHE 430 HB3 0.03 0.04 0.05 -0.04 3.06 3.14 2dw5A1 PHE 430 HD2 0.05 0.09 -0.26 -0.04 7.28 7.13 2dw5A1 PHE 430 HE2 0.05 -0.01 -0.15 -0.04 7.38 7.23 2dw5A1 PHE 430 HZ 0.05 -0.02 -0.11 -0.04 7.32 7.19 2dw5A1 GLY 431 H 0.22 0.28 0.27 -0.55 8.43 8.66 2dw5A1 GLY 431 HA2 0.13 0.08 0.49 -0.51 4.01 4.21 2dw5A1 GLY 431 HA3 0.16 -0.04 0.29 -0.51 4.01 3.91 2dw5A1 ASP 432 H 0.18 0.41 0.46 -0.55 8.40 8.90 2dw5A1 ASP 432 HA 0.16 0.06 0.75 -0.75 4.63 4.84 2dw5A1 ASP 432 HB2 0.09 0.02 -0.18 -0.04 2.71 2.60 2dw5A1 ASP 432 HB3 0.10 0.17 0.05 -0.04 2.70 2.98 2dw5A1 SER 433 H 0.10 0.20 0.19 -0.55 8.46 8.41 2dw5A1 SER 433 HA 0.34 -0.03 0.86 -0.75 4.49 4.90 2dw5A1 SER 433 HB2 -0.06 -0.09 0.22 -0.04 3.95 3.99 2dw5A1 SER 433 HB3 0.06 -0.01 0.20 -0.04 3.93 4.13 2dw5A1 CYS 434 H -0.25 0.07 0.16 -0.55 8.50 7.92 2dw5A1 CYS 434 HA -0.15 0.22 0.67 -0.75 4.58 4.57 2dw5A1 CYS 434 HB2 -0.50 -0.06 0.11 -0.04 2.97 2.48 2dw5A1 CYS 434 HB3 -0.33 0.04 -0.01 -0.04 2.97 2.64 2dw5A1 TYR 435 H -0.23 0.09 0.09 -0.55 8.29 7.69 2dw5A1 TYR 435 HA -0.02 0.21 0.33 -0.75 4.56 4.32 2dw5A1 TYR 435 HB2 -0.03 0.08 0.10 -0.04 3.06 3.17 2dw5A1 TYR 435 HB3 -0.07 0.09 -0.09 -0.04 2.98 2.87 2dw5A1 TYR 435 HD2 -0.08 0.11 -0.21 -0.04 7.15 6.93 2dw5A1 TYR 435 HE2 -0.05 -0.01 -0.07 -0.04 6.85 6.67 2dw5A1 PRO 436 HA -0.05 0.05 0.74 -0.51 4.44 4.67 2dw5A1 PRO 436 HB2 0.03 0.05 0.01 -0.04 2.28 2.32 2dw5A1 PRO 436 HB3 0.02 0.04 0.05 -0.04 2.02 2.10 2dw5A1 PRO 436 HG2 0.09 0.01 0.13 -0.04 2.03 2.22 2dw5A1 PRO 436 HG3 0.05 0.07 0.06 -0.04 2.03 2.17 2dw5A1 PRO 436 HD2 0.17 0.10 0.19 -0.04 3.68 4.10 2dw5A1 PRO 436 HD3 0.08 0.18 0.06 -0.04 3.65 3.93 2dw5A1 SER 437 H -0.12 0.11 0.21 -0.55 8.46 8.12 2dw5A1 SER 437 HA 0.04 0.23 0.59 -0.75 4.49 4.60 2dw5A1 SER 437 HB2 -0.01 -0.11 0.20 -0.04 3.95 3.99 2dw5A1 SER 437 HB3 -0.05 0.12 0.02 -0.04 3.93 3.98 2dw5A1 ASN 438 H 0.00 0.16 0.14 -0.55 8.53 8.30 2dw5A1 ASN 438 HA -0.01 0.14 0.46 -0.75 4.76 4.60 2dw5A1 ASN 438 HB2 -0.00 -0.03 0.03 -0.04 2.88 2.84 2dw5A1 ASN 438 HB3 -0.01 0.05 0.06 -0.04 2.79 2.85 2dw5A1 ASN 438 HD21 0.01 0.02 0.03 -0.04 7.03 7.05 2dw5A1 ASN 438 HD22 0.01 0.00 0.03 -0.04 7.74 7.74 2dw5A1 ASP 439 H -0.04 -0.08 -0.26 -0.55 8.40 7.47 2dw5A1 ASP 439 HA -0.06 0.25 0.82 -0.75 4.63 4.87 2dw5A1 ASP 439 HB2 -0.03 -0.06 0.03 -0.04 2.71 2.60 2dw5A1 ASP 439 HB3 -0.05 0.06 0.09 -0.04 2.70 2.75 2dw5A1 SER 440 H -0.06 0.10 -0.20 -0.55 8.46 7.75 2dw5A1 SER 440 HA -0.04 0.14 0.66 -0.75 4.49 4.48 2dw5A1 SER 440 HB2 -0.05 0.05 0.16 -0.04 3.95 4.06 2dw5A1 SER 440 HB3 -0.15 -0.05 0.17 -0.04 3.93 3.86 2dw5A1 ARG 441 H -0.00 0.13 0.21 -0.55 8.46 8.24 2dw5A1 ARG 441 HA -0.01 0.21 0.88 -0.75 4.34 4.67 2dw5A1 ARG 441 HB2 0.00 0.02 0.06 -0.04 1.90 1.94 2dw5A1 ARG 441 HB3 0.01 -0.09 0.11 -0.04 1.80 1.79 2dw5A1 ARG 441 HG2 -0.04 0.03 -0.03 -0.04 1.67 1.59 2dw5A1 ARG 441 HG3 -0.05 0.06 -0.15 -0.04 1.67 1.49 2dw5A1 ARG 441 HD2 -0.03 -0.17 0.07 -0.04 3.22 3.05 2dw5A1 ARG 441 HD3 -0.07 0.02 0.04 -0.04 3.22 3.17 2dw5A1 GLN 442 H 0.03 0.30 0.18 -0.55 8.47 8.44 2dw5A1 GLN 442 HA 0.10 0.11 0.63 -0.75 4.36 4.45 2dw5A1 GLN 442 HB2 0.09 0.08 0.11 -0.04 2.15 2.39 2dw5A1 GLN 442 HB3 0.05 -0.01 -0.24 -0.04 2.02 1.78 2dw5A1 GLN 442 HG2 0.01 -0.06 -0.09 -0.04 2.40 2.21 2dw5A1 GLN 442 HG3 0.01 0.05 -0.42 -0.04 2.39 1.99 2dw5A1 GLN 442 HE21 -0.04 -0.08 -0.01 -0.04 6.97 6.79 2dw5A1 GLN 442 HE22 -0.04 0.34 -0.05 -0.04 7.69 7.89 2dw5A1 MET 443 H 0.15 0.27 0.14 -0.55 8.47 8.47 2dw5A1 MET 443 HA 0.06 -0.03 0.44 -0.75 4.52 4.25 2dw5A1 MET 443 HB2 0.07 0.31 0.11 -0.04 2.15 2.60 2dw5A1 MET 443 HB3 0.02 -0.01 0.07 -0.04 2.03 2.07 2dw5A1 MET 443 HG2 -0.05 0.05 -0.22 -0.04 2.63 2.37 2dw5A1 MET 443 HG3 0.03 -0.09 0.07 -0.04 2.56 2.53 2dw5A1 MET 443 HE3 0.02 0.04 -0.03 -0.04 2.10 2.09 2dw5A1 HIS 444 H 0.12 0.12 0.14 -0.55 8.41 8.24 2dw5A1 HIS 444 HA 0.01 0.12 0.23 -0.75 4.63 4.24 2dw5A1 HIS 444 HB2 -0.02 0.09 0.20 -0.04 3.26 3.49 2dw5A1 HIS 444 HB3 -0.01 -0.07 0.15 -0.04 3.20 3.22 2dw5A1 HIS 444 HD2 -0.01 0.29 0.18 -0.04 6.97 7.38 2dw5A1 HIS 444 HE1 0.00 0.05 0.07 -0.04 7.75 7.82 2dw5A1 GLN 445 H -0.53 0.19 0.20 -0.55 8.47 7.78 2dw5A1 GLN 445 HA -0.03 0.15 0.38 -0.75 4.36 4.11 2dw5A1 GLN 445 HB2 -0.13 0.05 0.15 -0.04 2.15 2.18 2dw5A1 GLN 445 HB3 -0.12 -0.00 0.05 -0.04 2.02 1.91 2dw5A1 GLN 445 HG2 -0.01 0.03 0.01 -0.04 2.40 2.39 2dw5A1 GLN 445 HG3 0.01 -0.03 -0.01 -0.04 2.39 2.32 2dw5A1 GLN 445 HE21 0.06 0.07 -0.03 -0.04 6.97 7.03 2dw5A1 GLN 445 HE22 0.04 -0.01 0.00 -0.04 7.69 7.67 2dw5A1 ALA 446 H 0.44 0.06 -0.26 -0.55 8.40 8.10 2dw5A1 ALA 446 HA 0.12 0.11 0.41 -0.75 4.34 4.22 2dw5A1 ALA 446 HB3 0.17 0.02 0.07 -0.04 1.41 1.63 2dw5A1 LEU 447 H 0.16 0.14 -0.30 -0.55 8.37 7.82 2dw5A1 LEU 447 HA 0.16 0.11 0.46 -0.75 4.35 4.33 2dw5A1 LEU 447 HB2 0.02 0.09 0.03 -0.04 1.64 1.75 2dw5A1 LEU 447 HB3 0.12 0.09 -0.01 -0.04 1.64 1.80 2dw5A1 LEU 447 HG 0.09 -0.15 0.06 -0.04 1.64 1.61 2dw5A1 LEU 447 HD13 0.09 0.03 0.03 -0.04 0.93 1.05 2dw5A1 LEU 447 HD23 0.01 -0.01 -0.22 -0.04 0.89 0.63 2dw5A1 GLN 448 H -0.01 0.32 -0.17 -0.55 8.47 8.06 2dw5A1 GLN 448 HA -0.25 0.09 0.24 -0.75 4.36 3.68 2dw5A1 GLN 448 HB2 0.01 0.01 0.08 -0.04 2.15 2.21 2dw5A1 GLN 448 HB3 0.04 0.03 -0.06 -0.04 2.02 1.99 2dw5A1 GLN 448 HG2 -0.48 0.01 -0.08 -0.04 2.40 1.81 2dw5A1 GLN 448 HG3 -0.08 0.14 -0.18 -0.04 2.39 2.23 2dw5A1 GLN 448 HE21 0.14 -0.08 -0.03 -0.04 6.97 6.95 2dw5A1 GLN 448 HE22 0.06 0.44 -0.12 -0.04 7.69 8.03 2dw5A1 ASP 449 H 0.05 0.58 -0.12 -0.55 8.40 8.36 2dw5A1 ASP 449 HA 0.04 0.05 0.39 -0.75 4.63 4.36 2dw5A1 ASP 449 HB2 0.08 0.04 0.16 -0.04 2.71 2.95 2dw5A1 ASP 449 HB3 0.06 -0.10 0.00 -0.04 2.70 2.63 2dw5A1 PHE 450 H 0.18 0.38 -0.27 -0.55 8.34 8.08 2dw5A1 PHE 450 HA -0.05 0.00 0.49 -0.75 4.62 4.30 2dw5A1 PHE 450 HB2 -0.08 -0.05 0.14 -0.04 3.15 3.12 2dw5A1 PHE 450 HB3 -0.10 0.12 0.16 -0.04 3.06 3.20 2dw5A1 PHE 450 HD2 -0.34 0.01 -0.07 -0.04 7.28 6.83 2dw5A1 PHE 450 HE2 -0.98 -0.01 -0.09 -0.04 7.38 6.26 2dw5A1 PHE 450 HZ -1.17 -0.03 -0.08 -0.04 7.32 6.00 2dw5A1 LEU 451 H 0.05 0.47 -0.19 -0.55 8.37 8.16 2dw5A1 LEU 451 HA -0.22 0.04 0.30 -0.75 4.35 3.72 2dw5A1 LEU 451 HB2 -0.04 0.03 0.12 -0.04 1.64 1.71 2dw5A1 LEU 451 HB3 0.02 0.01 0.01 -0.04 1.64 1.64 2dw5A1 LEU 451 HG 0.14 0.12 0.02 -0.04 1.64 1.87 2dw5A1 LEU 451 HD13 -0.18 -0.04 -0.15 -0.04 0.93 0.51 2dw5A1 LEU 451 HD23 0.19 -0.01 -0.07 -0.04 0.89 0.96 2dw5A1 SER 452 H -0.02 0.48 -0.16 -0.55 8.46 8.22 2dw5A1 SER 452 HA -0.01 0.09 0.31 -0.75 4.49 4.12 2dw5A1 SER 452 HB2 0.02 0.01 0.10 -0.04 3.95 4.03 2dw5A1 SER 452 HB3 0.00 -0.05 -0.10 -0.04 3.93 3.74 2dw5A1 ALA 453 H -0.09 0.41 -0.29 -0.55 8.40 7.88 2dw5A1 ALA 453 HA -0.06 -0.01 0.28 -0.75 4.34 3.80 2dw5A1 ALA 453 HB3 -0.07 0.00 -0.17 -0.04 1.41 1.13 2dw5A1 GLN 454 H -0.28 0.43 -0.47 -0.55 8.47 7.60 2dw5A1 GLN 454 HA -0.18 -0.01 0.71 -0.75 4.36 4.13 2dw5A1 GLN 454 HB2 -0.20 0.13 0.28 -0.04 2.15 2.31 2dw5A1 GLN 454 HB3 -0.21 -0.05 0.16 -0.04 2.02 1.89 2dw5A1 GLN 454 HG2 -0.81 0.26 0.10 -0.04 2.40 1.91 2dw5A1 GLN 454 HG3 -0.42 0.00 0.11 -0.04 2.39 2.05 2dw5A1 GLN 454 HE21 -0.32 0.38 -0.04 -0.04 6.97 6.94 2dw5A1 GLN 454 HE22 -0.88 0.32 -0.01 -0.04 7.69 7.08 2dw5A1 GLN 455 H -0.05 0.21 -0.05 -0.55 8.47 8.03 2dw5A1 GLN 455 HA -0.06 0.28 0.25 -0.75 4.36 4.07 2dw5A1 GLN 455 HB2 -0.06 -0.04 0.12 -0.04 2.15 2.13 2dw5A1 GLN 455 HB3 -0.13 -0.06 0.11 -0.04 2.02 1.89 2dw5A1 GLN 455 HG2 -0.04 0.00 0.05 -0.04 2.40 2.37 2dw5A1 GLN 455 HG3 -0.03 0.21 0.04 -0.04 2.39 2.57 2dw5A1 GLN 455 HE21 -0.01 -0.05 0.03 -0.04 6.97 6.90 2dw5A1 GLN 455 HE22 -0.15 -0.02 0.04 -0.04 7.69 7.52 2dw5A1 VAL 456 H -0.05 0.09 -0.61 -0.55 8.24 7.13 2dw5A1 VAL 456 HA -0.02 0.03 -0.01 -0.75 4.13 3.39 2dw5A1 VAL 456 HB 0.02 -0.04 0.03 -0.04 2.12 2.08 2dw5A1 VAL 456 HG13 0.01 0.01 -0.11 -0.04 0.97 0.84 2dw5A1 VAL 456 HG23 0.44 -0.01 0.00 -0.04 0.95 1.34 2dw5A1 GLN 457 H -0.04 0.25 -0.27 -0.55 8.47 7.86 2dw5A1 GLN 457 HA -0.01 0.40 0.77 -0.75 4.36 4.77 2dw5A1 GLN 457 HB2 -0.06 -0.04 0.06 -0.04 2.15 2.07 2dw5A1 GLN 457 HB3 -0.06 -0.20 0.02 -0.04 2.02 1.75 2dw5A1 GLN 457 HG2 -0.09 0.30 -0.27 -0.04 2.40 2.31 2dw5A1 GLN 457 HG3 -0.07 -0.13 -0.45 -0.04 2.39 1.69 2dw5A1 GLN 457 HE21 0.03 0.41 0.09 -0.04 6.97 7.46 2dw5A1 GLN 457 HE22 0.04 0.55 0.05 -0.04 7.69 8.29 2dw5A1 ALA 458 H 0.02 0.37 -0.02 -0.55 8.40 8.23 2dw5A1 ALA 458 HA 0.00 0.06 0.39 -0.75 4.34 4.04 2dw5A1 ALA 458 HB3 0.05 0.00 0.10 -0.04 1.41 1.52 2dw5A1 PRO 459 HA 0.05 0.24 0.47 -0.51 4.44 4.69 2dw5A1 PRO 459 HB2 0.23 -0.09 -0.07 -0.04 2.28 2.30 2dw5A1 PRO 459 HB3 0.41 -0.06 -0.09 -0.04 2.02 2.25 2dw5A1 PRO 459 HG2 0.09 -0.10 -0.27 -0.04 2.03 1.70 2dw5A1 PRO 459 HG3 0.09 0.04 -0.07 -0.04 2.03 2.04 2dw5A1 PRO 459 HD2 0.03 0.00 0.06 -0.04 3.68 3.73 2dw5A1 PRO 459 HD3 0.00 0.21 -0.21 -0.04 3.65 3.61 2dw5A1 VAL 460 H -0.02 0.70 0.28 -0.55 8.24 8.65 2dw5A1 VAL 460 HA -0.08 0.06 0.76 -0.75 4.13 4.12 2dw5A1 VAL 460 HB -0.07 -0.02 0.12 -0.04 2.12 2.11 2dw5A1 VAL 460 HG13 -0.06 -0.04 -0.20 -0.04 0.97 0.63 2dw5A1 VAL 460 HG23 -0.11 0.06 -0.12 -0.04 0.95 0.73 2dw5A1 LYS 461 H -0.16 0.16 0.09 -0.55 8.42 7.95 2dw5A1 LYS 461 HA -0.80 0.22 0.78 -0.75 4.32 3.76 2dw5A1 LYS 461 HB2 -0.10 -0.03 0.15 -0.04 1.87 1.85 2dw5A1 LYS 461 HB3 -0.10 0.03 -0.06 -0.04 1.79 1.61 2dw5A1 LYS 461 HG2 -0.50 0.03 -0.03 -0.04 1.46 0.91 2dw5A1 LYS 461 HG3 -0.19 0.01 -0.06 -0.04 1.46 1.18 2dw5A1 LYS 461 HD2 0.03 0.00 -0.02 -0.04 1.69 1.66 2dw5A1 LYS 461 HD3 0.04 -0.02 -0.03 -0.04 1.68 1.63 2dw5A1 LYS 461 HE2 0.28 -0.02 -0.05 -0.04 2.99 3.16 2dw5A1 LYS 461 HE3 0.18 0.04 -0.05 -0.04 2.99 3.11 2dw5A1 LEU 462 H -0.15 0.65 0.32 -0.55 8.37 8.65 2dw5A1 LEU 462 HA 0.15 0.17 0.76 -0.75 4.35 4.67 2dw5A1 LEU 462 HB2 0.19 -0.06 -0.19 -0.04 1.64 1.54 2dw5A1 LEU 462 HB3 0.33 -0.07 0.02 -0.04 1.64 1.88 2dw5A1 LEU 462 HG 0.00 0.11 -0.19 -0.04 1.64 1.52 2dw5A1 LEU 462 HD13 0.12 -0.01 -0.14 -0.04 0.93 0.86 2dw5A1 LEU 462 HD23 0.06 0.04 -0.23 -0.04 0.89 0.72 2dw5A1 TYR 463 H 0.41 0.19 0.07 -0.55 8.29 8.41 2dw5A1 TYR 463 HA 0.17 0.31 0.70 -0.75 4.56 4.99 2dw5A1 TYR 463 HB2 0.23 0.07 -0.06 -0.04 3.06 3.27 2dw5A1 TYR 463 HB3 0.27 0.02 0.18 -0.04 2.98 3.41 2dw5A1 TYR 463 HD2 -0.05 0.18 0.10 -0.04 7.15 7.34 2dw5A1 TYR 463 HE2 -0.15 -0.00 0.02 -0.04 6.85 6.68 2dw5A1 SER 464 H 0.21 0.54 0.32 -0.55 8.46 8.98 2dw5A1 SER 464 HA -0.20 0.21 0.79 -0.75 4.49 4.53 2dw5A1 SER 464 HB2 0.00 -0.09 -0.40 -0.04 3.95 3.43 2dw5A1 SER 464 HB3 0.26 -0.01 -0.29 -0.04 3.93 3.84 2dw5A1 ASP 465 H 0.05 0.26 0.14 -0.55 8.40 8.30 2dw5A1 ASP 465 HA -0.08 0.21 0.29 -0.75 4.63 4.29 2dw5A1 ASP 465 HB2 0.14 0.08 -0.11 -0.04 2.71 2.78 2dw5A1 ASP 465 HB3 0.25 -0.07 0.05 -0.04 2.70 2.89 2dw5A1 TRP 466 H -0.35 0.03 -0.41 -0.55 7.97 6.69 2dw5A1 TRP 466 HA -0.02 0.14 0.58 -0.75 4.62 4.57 2dw5A1 TRP 466 HB2 -0.14 0.01 0.05 -0.04 3.23 3.11 2dw5A1 TRP 466 HB3 -0.35 -0.02 0.02 -0.04 3.23 2.84 2dw5A1 TRP 466 HD1 -1.87 -0.12 -0.28 -0.04 7.22 4.91 2dw5A1 TRP 466 HE1 -0.70 0.40 -0.01 -0.04 10.20 9.85 2dw5A1 TRP 466 HE3 -0.25 -0.04 -0.20 -0.04 7.59 7.06 2dw5A1 TRP 466 HZ2 -0.83 0.06 -0.13 -0.04 7.44 6.50 2dw5A1 TRP 466 HZ3 -0.73 -0.08 -0.13 -0.04 7.13 6.16 2dw5A1 TRP 466 HH2 -0.66 0.01 -0.13 -0.04 7.19 6.36 2dw5A1 LEU 467 H -0.78 0.37 -0.36 -0.55 8.37 7.05 2dw5A1 LEU 467 HA -0.47 0.08 0.81 -0.75 4.35 4.02 2dw5A1 LEU 467 HB2 -0.70 0.28 0.16 -0.04 1.64 1.34 2dw5A1 LEU 467 HB3 -0.45 -0.24 0.06 -0.04 1.64 0.97 2dw5A1 LEU 467 HG -2.97 -0.04 -0.14 -0.04 1.64 -1.54 2dw5A1 LEU 467 HD13 -0.39 -0.01 -0.07 -0.04 0.93 0.41 2dw5A1 LEU 467 HD23 -0.46 0.01 -0.05 -0.04 0.89 0.35 2dw5A1 SER 468 H -0.13 0.65 0.16 -0.55 8.46 8.59 2dw5A1 SER 468 HA -0.04 0.09 0.34 -0.75 4.49 4.12 2dw5A1 SER 468 HB2 -0.02 0.07 -0.14 -0.04 3.95 3.82 2dw5A1 SER 468 HB3 -0.07 -0.11 0.10 -0.04 3.93 3.82 2dw5A1 VAL 469 H -0.19 0.04 -0.04 -0.55 8.24 7.51 2dw5A1 VAL 469 HA -0.21 0.09 0.50 -0.75 4.13 3.76 2dw5A1 VAL 469 HB -0.36 -0.13 0.14 -0.04 2.12 1.73 2dw5A1 VAL 469 HG13 -0.94 -0.00 -0.12 -0.04 0.97 -0.13 2dw5A1 VAL 469 HG23 -0.21 0.06 0.09 -0.04 0.95 0.84 2dw5A1 GLY 470 H -0.30 -0.10 -0.14 -0.55 8.43 7.35 2dw5A1 GLY 470 HA2 -0.27 0.21 0.23 -0.51 4.01 3.67 2dw5A1 GLY 470 HA3 -0.09 0.12 0.28 -0.51 4.01 3.81 2dw5A1 HIS 471 H -0.15 -0.00 0.02 -0.55 8.41 7.73 2dw5A1 HIS 471 HA -0.01 0.28 0.92 -0.75 4.63 5.07 2dw5A1 HIS 471 HB2 -0.04 -0.11 -0.08 -0.04 3.26 3.00 2dw5A1 HIS 471 HB3 0.01 0.24 -0.48 -0.04 3.20 2.92 2dw5A1 HIS 471 HD2 -0.03 0.18 -0.85 -0.04 6.97 6.22 2dw5A1 HIS 471 HE1 -0.11 -0.03 -0.05 -0.04 7.75 7.52 2dw5A1 VAL 472 H 0.06 0.25 0.19 -0.55 8.24 8.19 2dw5A1 VAL 472 HA -0.26 0.04 0.26 -0.75 4.13 3.42 2dw5A1 VAL 472 HB -0.33 0.03 -0.05 -0.04 2.12 1.73 2dw5A1 VAL 472 HG13 0.11 -0.01 -0.20 -0.04 0.97 0.83 2dw5A1 VAL 472 HG23 -0.01 0.05 -0.20 -0.04 0.95 0.75 2dw5A1 ASP 473 H 0.01 0.27 -0.29 -0.55 8.40 7.84 2dw5A1 ASP 473 HA -0.18 0.31 0.47 -0.75 4.63 4.46 2dw5A1 ASP 473 HB2 -0.31 0.03 0.13 -0.04 2.71 2.52 2dw5A1 ASP 473 HB3 -0.01 0.16 0.10 -0.04 2.70 2.91 2dw5A1 GLU 474 H -0.01 0.33 -0.39 -0.55 8.60 7.99 2dw5A1 GLU 474 HA 0.07 0.03 0.53 -0.75 4.29 4.15 2dw5A1 GLU 474 HB2 -0.01 0.19 0.06 -0.04 2.09 2.30 2dw5A1 GLU 474 HB3 0.07 -0.08 0.06 -0.04 1.99 2.01 2dw5A1 GLU 474 HG2 -0.02 -0.01 0.03 -0.04 2.34 2.30 2dw5A1 GLU 474 HG3 -0.03 -0.01 0.03 -0.04 2.34 2.28 2dw5A1 PHE 475 H -0.19 0.38 -0.34 -0.55 8.34 7.64 2dw5A1 PHE 475 HA 0.18 0.06 0.85 -0.75 4.62 4.96 2dw5A1 PHE 475 HB2 0.22 -0.05 0.10 -0.04 3.15 3.38 2dw5A1 PHE 475 HB3 0.21 -0.06 -0.23 -0.04 3.06 2.94 2dw5A1 PHE 475 HD2 0.04 -0.05 -0.16 -0.04 7.28 7.07 2dw5A1 PHE 475 HE2 0.08 -0.05 -0.14 -0.04 7.38 7.23 2dw5A1 PHE 475 HZ 0.14 -0.08 -0.11 -0.04 7.32 7.23 2dw5A1 LEU 476 H -0.37 0.38 0.18 -0.55 8.37 8.02 2dw5A1 LEU 476 HA -0.07 0.27 0.84 -0.75 4.35 4.64 2dw5A1 LEU 476 HB2 -0.25 0.11 0.16 -0.04 1.64 1.62 2dw5A1 LEU 476 HB3 -0.25 -0.09 -0.06 -0.04 1.64 1.21 2dw5A1 LEU 476 HG -0.40 0.09 -0.07 -0.04 1.64 1.22 2dw5A1 LEU 476 HD13 -0.10 0.00 -0.31 -0.04 0.93 0.49 2dw5A1 LEU 476 HD23 -0.25 -0.03 -0.12 -0.04 0.89 0.45 2dw5A1 SER 477 H -0.18 0.57 0.33 -0.55 8.46 8.64 2dw5A1 SER 477 HA -0.09 0.07 0.26 -0.75 4.49 3.98 2dw5A1 SER 477 HB2 -0.08 0.26 0.17 -0.04 3.95 4.26 2dw5A1 SER 477 HB3 -0.04 -0.11 0.04 -0.04 3.93 3.79 2dw5A1 PHE 478 H 0.14 0.27 0.24 -0.55 8.34 8.43 2dw5A1 PHE 478 HA 0.06 0.30 1.04 -0.75 4.62 5.27 2dw5A1 PHE 478 HB2 -0.02 -0.09 0.13 -0.04 3.15 3.13 2dw5A1 PHE 478 HB3 -0.02 0.06 -0.02 -0.04 3.06 3.04 2dw5A1 PHE 478 HD2 -0.01 0.01 -0.14 -0.04 7.28 7.09 2dw5A1 PHE 478 HE2 -0.05 -0.02 -0.13 -0.04 7.38 7.14 2dw5A1 PHE 478 HZ -0.06 -0.01 -0.07 -0.04 7.32 7.14 2dw5A1 VAL 479 H 0.24 0.59 0.31 -0.55 8.24 8.84 2dw5A1 VAL 479 HA 0.11 0.24 0.80 -0.75 4.13 4.53 2dw5A1 VAL 479 HB 0.06 0.16 0.00 -0.04 2.12 2.30 2dw5A1 VAL 479 HG13 0.05 -0.04 -0.24 -0.04 0.97 0.70 2dw5A1 VAL 479 HG23 0.08 -0.02 -0.12 -0.04 0.95 0.84 2dw5A1 PRO 480 HA 0.14 0.24 0.70 -0.51 4.44 5.01 2dw5A1 PRO 480 HB2 0.03 -0.02 -0.14 -0.04 2.28 2.11 2dw5A1 PRO 480 HB3 0.05 0.11 0.10 -0.04 2.02 2.25 2dw5A1 PRO 480 HG2 0.02 -0.01 -0.16 -0.04 2.03 1.84 2dw5A1 PRO 480 HG3 0.04 0.11 0.05 -0.04 2.03 2.19 2dw5A1 PRO 480 HD2 0.05 0.07 0.13 -0.04 3.68 3.88 2dw5A1 PRO 480 HD3 0.07 0.18 0.12 -0.04 3.65 3.98 2dw5A1 ALA 481 H 0.08 0.45 -0.19 -0.55 8.40 8.19 2dw5A1 ALA 481 HA 0.02 0.26 0.55 -0.75 4.34 4.42 2dw5A1 ALA 481 HB3 0.00 -0.02 -0.23 -0.04 1.41 1.12 2dw5A1 PRO 482 HA 0.01 0.17 0.36 -0.51 4.44 4.47 2dw5A1 PRO 482 HB2 -0.00 -0.05 0.06 -0.04 2.28 2.25 2dw5A1 PRO 482 HB3 -0.00 0.05 0.06 -0.04 2.02 2.09 2dw5A1 PRO 482 HG2 -0.00 -0.04 0.02 -0.04 2.03 1.97 2dw5A1 PRO 482 HG3 -0.00 0.17 0.03 -0.04 2.03 2.19 2dw5A1 PRO 482 HD2 -0.01 -0.02 0.14 -0.04 3.68 3.75 2dw5A1 PRO 482 HD3 0.00 0.34 0.26 -0.04 3.65 4.21 2dw5A1 ASP 483 H -0.02 0.04 -0.41 -0.55 8.40 7.47 2dw5A1 ASP 483 HA -0.01 0.24 0.79 -0.75 4.63 4.90 2dw5A1 ASP 483 HB2 -0.02 -0.17 0.16 -0.04 2.71 2.64 2dw5A1 ASP 483 HB3 -0.01 0.06 -0.10 -0.04 2.70 2.60 2dw5A1 ARG 484 H -0.04 0.08 0.10 -0.55 8.46 8.05 2dw5A1 ARG 484 HA -0.04 0.01 0.35 -0.75 4.34 3.90 2dw5A1 ARG 484 HB2 -0.15 -0.06 0.22 -0.04 1.90 1.87 2dw5A1 ARG 484 HB3 -0.09 0.01 0.09 -0.04 1.80 1.78 2dw5A1 ARG 484 HG2 -0.05 -0.04 0.09 -0.04 1.67 1.64 2dw5A1 ARG 484 HG3 -0.06 -0.01 -0.03 -0.04 1.67 1.52 2dw5A1 ARG 484 HD2 -0.05 -0.02 0.01 -0.04 3.22 3.12 2dw5A1 ARG 484 HD3 -0.09 0.23 -0.05 -0.04 3.22 3.27 2dw5A1 LYS 485 H -0.22 0.13 0.28 -0.55 8.42 8.06 2dw5A1 LYS 485 HA -0.01 0.16 0.80 -0.75 4.32 4.51 2dw5A1 LYS 485 HB2 -0.67 0.02 0.08 -0.04 1.87 1.26 2dw5A1 LYS 485 HB3 0.10 0.09 0.16 -0.04 1.79 2.10 2dw5A1 LYS 485 HG2 -0.05 0.00 -0.15 -0.04 1.46 1.22 2dw5A1 LYS 485 HG3 -0.19 -0.10 0.02 -0.04 1.46 1.14 2dw5A1 LYS 485 HD2 -0.00 0.05 0.02 -0.04 1.69 1.72 2dw5A1 LYS 485 HD3 0.07 0.04 0.04 -0.04 1.68 1.78 2dw5A1 LYS 485 HE2 -0.01 -0.04 0.01 -0.04 2.99 2.92 2dw5A1 LYS 485 HE3 -0.06 -0.12 0.02 -0.04 2.99 2.78 2dw5A1 GLY 486 H -0.07 0.60 0.11 -0.55 8.43 8.52 2dw5A1 GLY 486 HA2 0.03 0.30 0.37 -0.51 4.01 4.20 2dw5A1 GLY 486 HA3 0.09 0.04 0.45 -0.51 4.01 4.09 2dw5A1 PHE 487 H -0.25 0.12 -0.06 -0.55 8.34 7.60 2dw5A1 PHE 487 HA 0.06 0.08 0.43 -0.75 4.62 4.44 2dw5A1 PHE 487 HB2 0.18 0.03 0.08 -0.04 3.15 3.41 2dw5A1 PHE 487 HB3 0.07 0.11 0.01 -0.04 3.06 3.20 2dw5A1 PHE 487 HD2 0.18 0.07 -0.42 -0.04 7.28 7.07 2dw5A1 PHE 487 HE2 0.14 0.02 -0.07 -0.04 7.38 7.43 2dw5A1 PHE 487 HZ 0.07 0.02 -0.07 -0.04 7.32 7.30 2dw5A1 ARG 488 H 0.25 0.56 0.17 -0.55 8.46 8.88 2dw5A1 ARG 488 HA 0.06 0.26 0.44 -0.75 4.34 4.35 2dw5A1 ARG 488 HB2 0.07 -0.07 -0.06 -0.04 1.90 1.80 2dw5A1 ARG 488 HB3 0.04 0.04 -0.08 -0.04 1.80 1.76 2dw5A1 ARG 488 HG2 0.00 -0.07 -0.44 -0.04 1.67 1.12 2dw5A1 ARG 488 HG3 0.01 -0.04 -0.14 -0.04 1.67 1.46 2dw5A1 ARG 488 HD2 -0.02 -0.03 -0.31 -0.04 3.22 2.82 2dw5A1 ARG 488 HD3 -0.09 0.12 0.13 -0.04 3.22 3.33 2dw5A1 LEU 489 H 0.19 0.45 0.18 -0.55 8.37 8.64 2dw5A1 LEU 489 HA -0.50 0.21 0.88 -0.75 4.35 4.19 2dw5A1 LEU 489 HB2 0.12 0.02 0.07 -0.04 1.64 1.82 2dw5A1 LEU 489 HB3 -0.01 -0.11 0.07 -0.04 1.64 1.55 2dw5A1 LEU 489 HG -0.33 0.01 -0.03 -0.04 1.64 1.25 2dw5A1 LEU 489 HD13 -0.00 -0.04 -0.13 -0.04 0.93 0.72 2dw5A1 LEU 489 HD23 -0.42 0.03 -0.08 -0.04 0.89 0.38 2dw5A1 LEU 490 H -0.18 0.60 0.21 -0.55 8.37 8.46 2dw5A1 LEU 490 HA -0.01 0.31 0.86 -0.75 4.35 4.76 2dw5A1 LEU 490 HB2 -0.04 -0.09 0.02 -0.04 1.64 1.49 2dw5A1 LEU 490 HB3 0.01 -0.05 -0.09 -0.04 1.64 1.46 2dw5A1 LEU 490 HG 0.00 0.07 -0.26 -0.04 1.64 1.41 2dw5A1 LEU 490 HD13 0.02 -0.01 -0.18 -0.04 0.93 0.72 2dw5A1 LEU 490 HD23 0.02 0.00 -0.26 -0.04 0.89 0.61 2dw5A1 LEU 491 H 0.02 0.57 0.20 -0.55 8.37 8.62 2dw5A1 LEU 491 HA 0.09 0.35 0.89 -0.75 4.35 4.92 2dw5A1 LEU 491 HB2 0.05 -0.10 -0.00 -0.04 1.64 1.54 2dw5A1 LEU 491 HB3 0.11 0.08 0.01 -0.04 1.64 1.80 2dw5A1 LEU 491 HG 0.01 0.02 -0.35 -0.04 1.64 1.28 2dw5A1 LEU 491 HD13 0.04 -0.02 -0.09 -0.04 0.93 0.81 2dw5A1 LEU 491 HD23 0.21 0.03 0.04 -0.04 0.89 1.13 2dw5A1 ALA 492 H 0.19 0.38 0.06 -0.55 8.40 8.48 2dw5A1 ALA 492 HA 0.15 0.06 0.53 -0.75 4.34 4.33 2dw5A1 ALA 492 HB3 0.38 -0.01 0.07 -0.04 1.41 1.81 2dw5A1 SER 493 H 0.13 0.35 0.15 -0.55 8.46 8.54 2dw5A1 SER 493 HA 0.08 0.20 0.86 -0.75 4.49 4.88 2dw5A1 SER 493 HB2 0.05 0.22 -0.13 -0.04 3.95 4.05 2dw5A1 SER 493 HB3 0.06 0.03 -0.11 -0.04 3.93 3.87 2dw5A1 PRO 494 HA 0.09 0.09 0.69 -0.51 4.44 4.80 2dw5A1 PRO 494 HB2 0.12 0.05 0.07 -0.04 2.28 2.49 2dw5A1 PRO 494 HB3 0.23 -0.03 0.18 -0.04 2.02 2.35 2dw5A1 PRO 494 HG2 0.09 0.06 0.13 -0.04 2.03 2.27 2dw5A1 PRO 494 HG3 0.32 0.09 0.15 -0.04 2.03 2.55 2dw5A1 PRO 494 HD2 0.05 0.09 0.22 -0.04 3.68 4.00 2dw5A1 PRO 494 HD3 0.19 0.21 -0.05 -0.04 3.65 3.95 2dw5A1 ARG 495 H 0.06 0.23 -0.06 -0.55 8.46 8.14 2dw5A1 ARG 495 HA 0.07 0.08 0.36 -0.75 4.34 4.09 2dw5A1 ARG 495 HB2 0.01 0.06 0.11 -0.04 1.90 2.04 2dw5A1 ARG 495 HB3 0.03 -0.00 0.05 -0.04 1.80 1.83 2dw5A1 ARG 495 HG2 0.03 -0.04 -0.16 -0.04 1.67 1.46 2dw5A1 ARG 495 HG3 0.01 0.02 0.01 -0.04 1.67 1.67 2dw5A1 ARG 495 HD2 0.01 0.02 -0.05 -0.04 3.22 3.15 2dw5A1 ARG 495 HD3 -0.00 0.04 -0.02 -0.04 3.22 3.20 2dw5A1 SER 496 H 0.04 0.15 -0.37 -0.55 8.46 7.73 2dw5A1 SER 496 HA 0.02 0.08 0.24 -0.75 4.49 4.07 2dw5A1 SER 496 HB2 0.02 0.06 -0.07 -0.04 3.95 3.93 2dw5A1 SER 496 HB3 0.03 0.09 -0.15 -0.04 3.93 3.85 2dw5A1 CYS 497 H -0.02 0.30 -0.35 -0.55 8.50 7.88 2dw5A1 CYS 497 HA -0.26 0.07 0.43 -0.75 4.58 4.07 2dw5A1 CYS 497 HB2 -0.09 -0.12 -0.01 -0.04 2.97 2.71 2dw5A1 CYS 497 HB3 -0.24 0.12 0.01 -0.04 2.97 2.83 2dw5A1 TYR 498 H 0.06 0.63 -0.02 -0.55 8.29 8.41 2dw5A1 TYR 498 HA -0.06 0.01 0.51 -0.75 4.56 4.27 2dw5A1 TYR 498 HB2 -0.03 0.11 0.14 -0.04 3.06 3.24 2dw5A1 TYR 498 HB3 -0.00 -0.00 -0.02 -0.04 2.98 2.92 2dw5A1 TYR 498 HD2 -0.01 0.07 -0.04 -0.04 7.15 7.14 2dw5A1 TYR 498 HE2 -0.01 0.04 -0.02 -0.04 6.85 6.82 2dw5A1 LYS 499 H 0.09 0.64 -0.07 -0.55 8.42 8.53 2dw5A1 LYS 499 HA 0.07 0.00 0.40 -0.75 4.32 4.03 2dw5A1 LYS 499 HB2 0.04 0.07 0.09 -0.04 1.87 2.03 2dw5A1 LYS 499 HB3 0.03 0.13 0.09 -0.04 1.79 1.99 2dw5A1 LYS 499 HG2 0.03 -0.04 -0.10 -0.04 1.46 1.32 2dw5A1 LYS 499 HG3 0.03 -0.03 0.01 -0.04 1.46 1.44 2dw5A1 LYS 499 HD2 0.02 -0.01 -0.04 -0.04 1.69 1.61 2dw5A1 LYS 499 HD3 0.02 0.04 -0.05 -0.04 1.68 1.65 2dw5A1 LYS 499 HE2 0.02 -0.02 -0.04 -0.04 2.99 2.90 2dw5A1 LYS 499 HE3 0.02 -0.01 -0.03 -0.04 2.99 2.93 2dw5A1 LEU 500 H -0.02 0.51 -0.24 -0.55 8.37 8.07 2dw5A1 LEU 500 HA 0.05 0.03 0.38 -0.75 4.35 4.05 2dw5A1 LEU 500 HB2 -0.04 0.23 0.19 -0.04 1.64 1.98 2dw5A1 LEU 500 HB3 -0.10 0.05 0.14 -0.04 1.64 1.70 2dw5A1 LEU 500 HG 0.00 0.05 0.00 -0.04 1.64 1.66 2dw5A1 LEU 500 HD13 0.12 -0.03 -0.20 -0.04 0.93 0.78 2dw5A1 LEU 500 HD23 0.05 -0.01 0.01 -0.04 0.89 0.90 2dw5A1 PHE 501 H 0.08 0.59 -0.14 -0.55 8.34 8.31 2dw5A1 PHE 501 HA -0.04 -0.02 0.47 -0.75 4.62 4.28 2dw5A1 PHE 501 HB2 -0.09 0.15 0.18 -0.04 3.15 3.34 2dw5A1 PHE 501 HB3 -0.06 -0.06 -0.00 -0.04 3.06 2.90 2dw5A1 PHE 501 HD2 -0.13 -0.03 -0.15 -0.04 7.28 6.93 2dw5A1 PHE 501 HE2 -0.12 -0.04 -0.05 -0.04 7.38 7.13 2dw5A1 PHE 501 HZ -0.23 -0.03 -0.02 -0.04 7.32 7.00 2dw5A1 GLN 502 H 0.15 0.79 -0.01 -0.55 8.47 8.86 2dw5A1 GLN 502 HA 0.10 -0.02 0.58 -0.75 4.36 4.27 2dw5A1 GLN 502 HB2 0.13 0.05 0.09 -0.04 2.15 2.37 2dw5A1 GLN 502 HB3 0.09 0.10 0.11 -0.04 2.02 2.27 2dw5A1 GLN 502 HG2 0.06 0.01 -0.03 -0.04 2.40 2.40 2dw5A1 GLN 502 HG3 0.06 -0.02 -0.13 -0.04 2.39 2.26 2dw5A1 GLN 502 HE21 0.07 -0.01 -0.02 -0.04 6.97 6.97 2dw5A1 GLN 502 HE22 0.08 0.03 -0.02 -0.04 7.69 7.74 2dw5A1 GLU 503 H 0.08 0.66 -0.13 -0.55 8.60 8.66 2dw5A1 GLU 503 HA 0.05 0.02 0.42 -0.75 4.29 4.03 2dw5A1 GLU 503 HB2 0.05 0.13 0.13 -0.04 2.09 2.36 2dw5A1 GLU 503 HB3 0.04 -0.03 -0.06 -0.04 1.99 1.90 2dw5A1 GLU 503 HG2 0.03 -0.04 0.01 -0.04 2.34 2.30 2dw5A1 GLU 503 HG3 0.04 0.00 0.04 -0.04 2.34 2.39 2dw5A1 GLN 504 H 0.08 0.53 -0.11 -0.55 8.47 8.42 2dw5A1 GLN 504 HA 0.07 0.05 0.45 -0.75 4.36 4.17 2dw5A1 GLN 504 HB2 0.03 0.13 0.20 -0.04 2.15 2.47 2dw5A1 GLN 504 HB3 -0.01 -0.08 -0.11 -0.04 2.02 1.78 2dw5A1 GLN 504 HG2 -0.02 -0.01 0.00 -0.04 2.40 2.34 2dw5A1 GLN 504 HG3 -0.13 -0.07 -0.00 -0.04 2.39 2.14 2dw5A1 GLN 504 HE21 0.01 -0.02 -0.01 -0.04 6.97 6.90 2dw5A1 GLN 504 HE22 0.06 0.43 0.12 -0.04 7.69 8.27 2dw5A1 GLN 505 H 0.06 0.63 -0.24 -0.55 8.47 8.37 2dw5A1 GLN 505 HA 0.03 -0.21 0.31 -0.75 4.36 3.74 2dw5A1 GLN 505 HB2 0.03 0.05 0.06 -0.04 2.15 2.25 2dw5A1 GLN 505 HB3 0.04 0.17 0.12 -0.04 2.02 2.32 2dw5A1 GLN 505 HG2 0.02 0.05 -0.13 -0.04 2.40 2.30 2dw5A1 GLN 505 HG3 0.01 -0.20 0.05 -0.04 2.39 2.21 2dw5A1 GLN 505 HE21 0.04 0.02 -0.02 -0.04 6.97 6.96 2dw5A1 GLN 505 HE22 0.04 0.06 -0.04 -0.04 7.69 7.70 2dw5A1 ASN 506 H 0.05 0.66 -0.08 -0.55 8.53 8.62 2dw5A1 ASN 506 HA 0.02 -0.00 0.46 -0.75 4.76 4.48 2dw5A1 ASN 506 HB2 0.04 0.13 0.15 -0.04 2.88 3.16 2dw5A1 ASN 506 HB3 0.03 -0.04 0.04 -0.04 2.79 2.78 2dw5A1 ASN 506 HD21 0.04 -0.06 -0.08 -0.04 7.03 6.88 2dw5A1 ASN 506 HD22 0.03 -0.02 -0.08 -0.04 7.74 7.64 2dw5A1 GLU 507 H 0.07 0.32 -0.58 -0.55 8.60 7.86 2dw5A1 GLU 507 HA 0.02 0.10 0.67 -0.75 4.29 4.32 2dw5A1 GLU 507 HB2 0.10 0.23 0.13 -0.04 2.09 2.51 2dw5A1 GLU 507 HB3 0.26 -0.06 0.06 -0.04 1.99 2.20 2dw5A1 GLU 507 HG2 0.08 -0.03 0.12 -0.04 2.34 2.46 2dw5A1 GLU 507 HG3 0.05 0.00 0.02 -0.04 2.34 2.37 2dw5A1 GLY 508 H -0.00 0.43 -0.33 -0.55 8.43 7.98 2dw5A1 GLY 508 HA2 -0.08 0.02 0.29 -0.51 4.01 3.73 2dw5A1 GLY 508 HA3 -0.19 0.13 0.51 -0.51 4.01 3.95 2dw5A1 HIS 509 H 0.06 0.54 0.05 -0.55 8.41 8.52 2dw5A1 HIS 509 HA -0.04 0.17 0.57 -0.75 4.63 4.58 2dw5A1 HIS 509 HB2 -0.05 0.06 -0.04 -0.04 3.26 3.19 2dw5A1 HIS 509 HB3 -0.06 -0.10 0.12 -0.04 3.20 3.11 2dw5A1 HIS 509 HD2 -0.02 0.15 -0.10 -0.04 6.97 6.95 2dw5A1 HIS 509 HE1 -0.02 -0.04 0.01 -0.04 7.75 7.65 2dw5A1 GLY 510 H -0.01 0.29 -0.31 -0.55 8.43 7.86 2dw5A1 GLY 510 HA2 -0.02 0.04 0.25 -0.51 4.01 3.76 2dw5A1 GLY 510 HA3 -0.01 0.10 0.29 -0.51 4.01 3.89 2dw5A1 GLU 511 H -0.01 0.16 -0.26 -0.55 8.60 7.95 2dw5A1 GLU 511 HA -0.02 0.06 0.65 -0.75 4.29 4.23 2dw5A1 GLU 511 HB2 -0.01 0.03 0.05 -0.04 2.09 2.12 2dw5A1 GLU 511 HB3 -0.01 0.02 0.03 -0.04 1.99 1.99 2dw5A1 GLU 511 HG2 -0.01 0.04 0.02 -0.04 2.34 2.35 2dw5A1 GLU 511 HG3 -0.01 -0.00 0.04 -0.04 2.34 2.33 2dw5A1 ALA 512 H -0.02 0.55 -0.26 -0.55 8.40 8.12 2dw5A1 ALA 512 HA -0.04 0.03 0.45 -0.75 4.34 4.03 2dw5A1 ALA 512 HB3 -0.08 -0.02 0.07 -0.04 1.41 1.34 2dw5A1 LEU 513 H -0.06 0.10 0.21 -0.55 8.37 8.07 2dw5A1 LEU 513 HA -0.06 0.22 0.64 -0.75 4.35 4.40 2dw5A1 LEU 513 HB2 -0.02 -0.09 0.13 -0.04 1.64 1.62 2dw5A1 LEU 513 HB3 0.00 0.08 -0.14 -0.04 1.64 1.54 2dw5A1 LEU 513 HG -0.01 0.10 -0.00 -0.04 1.64 1.68 2dw5A1 LEU 513 HD13 0.01 -0.00 -0.03 -0.04 0.93 0.86 2dw5A1 LEU 513 HD23 0.01 -0.01 -0.23 -0.04 0.89 0.62 2dw5A1 LEU 514 H -0.12 0.81 0.41 -0.55 8.37 8.92 2dw5A1 LEU 514 HA -0.28 0.01 0.70 -0.75 4.35 4.02 2dw5A1 LEU 514 HB2 -0.23 -0.01 0.14 -0.04 1.64 1.49 2dw5A1 LEU 514 HB3 -0.51 0.01 0.07 -0.04 1.64 1.17 2dw5A1 LEU 514 HG -0.23 -0.10 0.05 -0.04 1.64 1.32 2dw5A1 LEU 514 HD13 -0.03 -0.00 -0.07 -0.04 0.93 0.79 2dw5A1 LEU 514 HD23 -0.89 0.03 0.06 -0.04 0.89 0.05 2dw5A1 PHE 515 H -0.20 0.63 0.28 -0.55 8.34 8.51 2dw5A1 PHE 515 HA -0.02 0.10 0.34 -0.75 4.62 4.28 2dw5A1 PHE 515 HB2 -0.01 0.13 0.22 -0.04 3.15 3.45 2dw5A1 PHE 515 HB3 -0.09 -0.08 0.11 -0.04 3.06 2.95 2dw5A1 PHE 515 HD2 0.07 0.04 -0.01 -0.04 7.28 7.34 2dw5A1 PHE 515 HE2 0.17 -0.01 0.02 -0.04 7.38 7.52 2dw5A1 PHE 515 HZ -0.14 0.14 -0.05 -0.04 7.32 7.23 2dw5A1 GLU 516 H 0.02 0.20 -0.26 -0.55 8.60 8.01 2dw5A1 GLU 516 HA 0.02 0.06 0.53 -0.75 4.29 4.14 2dw5A1 GLU 516 HB2 -0.00 0.04 0.08 -0.04 2.09 2.17 2dw5A1 GLU 516 HB3 0.02 0.00 0.09 -0.04 1.99 2.05 2dw5A1 GLU 516 HG2 0.00 -0.03 -0.00 -0.04 2.34 2.26 2dw5A1 GLU 516 HG3 0.02 0.02 -0.10 -0.04 2.34 2.24 2dw5A1 GLY 517 H -0.01 0.18 0.02 -0.55 8.43 8.07 2dw5A1 GLY 517 HA2 0.02 -0.00 0.34 -0.51 4.01 3.86 2dw5A1 GLY 517 HA3 0.00 0.14 0.68 -0.51 4.01 4.32 2dw5A1 ILE 518 H -0.24 0.38 -0.16 -0.55 8.25 7.68 2dw5A1 ILE 518 HA -0.25 0.03 0.43 -0.75 4.18 3.64 2dw5A1 ILE 518 HB -0.65 -0.00 0.01 -0.04 1.89 1.21 2dw5A1 ILE 518 HG12 -0.08 0.07 -0.12 -0.04 1.49 1.33 2dw5A1 ILE 518 HG13 0.00 -0.20 -0.22 -0.04 1.21 0.75 2dw5A1 ILE 518 HG23 -0.17 0.07 -0.04 -0.04 0.93 0.76 2dw5A1 ILE 518 HD13 -0.08 -0.01 -0.01 -0.04 0.88 0.74 2dw5A1 LYS 519 H -0.14 0.12 0.19 -0.55 8.42 8.04 2dw5A1 LYS 519 HA -0.06 0.13 0.34 -0.75 4.32 3.97 2dw5A1 LYS 519 HB2 -0.09 0.03 -0.01 -0.04 1.87 1.76 2dw5A1 LYS 519 HB3 -0.06 0.02 0.14 -0.04 1.79 1.85 2dw5A1 LYS 519 HG2 -0.06 0.02 0.06 -0.04 1.46 1.44 2dw5A1 LYS 519 HG3 -0.11 -0.03 0.12 -0.04 1.46 1.39 2dw5A1 LYS 519 HD2 -0.11 -0.01 0.03 -0.04 1.69 1.56 2dw5A1 LYS 519 HD3 -0.08 0.01 0.01 -0.04 1.68 1.58 2dw5A1 LYS 519 HE2 -0.05 0.00 0.03 -0.04 2.99 2.93 2dw5A1 LYS 519 HE3 -0.05 0.00 0.02 -0.04 2.99 2.92 2dw5A1 LYS 520 H -0.07 0.03 -0.27 -0.55 8.42 7.55 2dw5A1 LYS 520 HA -0.01 0.22 0.84 -0.75 4.32 4.61 2dw5A1 LYS 520 HB2 -0.10 -0.07 0.12 -0.04 1.87 1.78 2dw5A1 LYS 520 HB3 0.03 0.02 0.20 -0.04 1.79 2.00 2dw5A1 LYS 520 HG2 -0.09 -0.01 -0.14 -0.04 1.46 1.18 2dw5A1 LYS 520 HG3 -0.11 -0.02 0.02 -0.04 1.46 1.31 2dw5A1 LYS 520 HD2 -0.01 0.00 0.01 -0.04 1.69 1.65 2dw5A1 LYS 520 HD3 -0.04 0.02 -0.01 -0.04 1.68 1.60 2dw5A1 LYS 520 HE2 -0.10 -0.02 -0.01 -0.04 2.99 2.82 2dw5A1 LYS 520 HE3 -0.06 0.00 0.01 -0.04 2.99 2.90 2dw5A1 LYS 521 H -0.01 0.39 -0.12 -0.55 8.42 8.13 2dw5A1 LYS 521 HA 0.00 0.08 0.37 -0.75 4.32 4.02 2dw5A1 LYS 521 HB2 -0.06 -0.12 -0.22 -0.04 1.87 1.43 2dw5A1 LYS 521 HB3 -0.20 0.07 -0.16 -0.04 1.79 1.46 2dw5A1 LYS 521 HG2 0.03 0.09 0.22 -0.04 1.46 1.76 2dw5A1 LYS 521 HG3 0.09 -0.05 0.01 -0.04 1.46 1.46 2dw5A1 LYS 521 HD2 -0.56 0.04 -0.06 -0.04 1.69 1.06 2dw5A1 LYS 521 HD3 -0.19 -0.11 0.06 -0.04 1.68 1.40 2dw5A1 LYS 521 HE2 -0.14 -0.01 0.03 -0.04 2.99 2.83 2dw5A1 LYS 521 HE3 -0.11 -0.02 0.00 -0.04 2.99 2.82 2dw5A1 LYS 522 H -0.04 0.14 0.07 -0.55 8.42 8.03 2dw5A1 LYS 522 HA 0.02 0.03 0.49 -0.75 4.32 4.11 2dw5A1 LYS 522 HB2 0.01 -0.03 0.12 -0.04 1.87 1.92 2dw5A1 LYS 522 HB3 0.01 -0.00 0.16 -0.04 1.79 1.92 2dw5A1 LYS 522 HG2 0.06 0.07 -0.07 -0.04 1.46 1.48 2dw5A1 LYS 522 HG3 0.04 0.00 0.05 -0.04 1.46 1.51 2dw5A1 LYS 522 HD2 0.02 -0.02 0.02 -0.04 1.69 1.67 2dw5A1 LYS 522 HD3 0.04 -0.02 0.01 -0.04 1.68 1.66 2dw5A1 LYS 522 HE2 0.04 0.03 0.01 -0.04 2.99 3.02 2dw5A1 LYS 522 HE3 0.02 -0.01 0.01 -0.04 2.99 2.98 2dw5A1 GLN 523 H 0.06 0.12 0.26 -0.55 8.47 8.37 2dw5A1 GLN 523 HA 0.32 0.20 0.59 -0.75 4.36 4.72 2dw5A1 GLN 523 HB2 0.07 -0.07 0.07 -0.04 2.15 2.17 2dw5A1 GLN 523 HB3 0.09 -0.07 -0.02 -0.04 2.02 1.97 2dw5A1 GLN 523 HG2 0.13 0.02 -0.25 -0.04 2.40 2.26 2dw5A1 GLN 523 HG3 0.09 0.13 0.01 -0.04 2.39 2.58 2dw5A1 GLN 523 HE21 0.01 -0.04 0.01 -0.04 6.97 6.90 2dw5A1 GLN 523 HE22 0.03 -0.03 0.06 -0.04 7.69 7.71 2dw5A1 GLN 524 H 0.14 0.44 0.25 -0.55 8.47 8.76 2dw5A1 GLN 524 HA 0.10 0.12 0.89 -0.75 4.36 4.71 2dw5A1 GLN 524 HB2 0.31 0.06 -0.02 -0.04 2.15 2.45 2dw5A1 GLN 524 HB3 0.17 -0.04 -0.14 -0.04 2.02 1.97 2dw5A1 GLN 524 HG2 0.17 -0.07 -0.04 -0.04 2.40 2.43 2dw5A1 GLN 524 HG3 0.19 0.15 -0.24 -0.04 2.39 2.45 2dw5A1 GLN 524 HE21 0.56 -0.01 -0.05 -0.04 6.97 7.43 2dw5A1 GLN 524 HE22 0.25 -0.02 -0.09 -0.04 7.69 7.79 2dw5A1 LYS 525 H 0.04 0.13 0.18 -0.55 8.42 8.22 2dw5A1 LYS 525 HA -0.04 0.37 0.63 -0.75 4.32 4.52 2dw5A1 LYS 525 HB2 0.01 -0.16 0.16 -0.04 1.87 1.84 2dw5A1 LYS 525 HB3 -0.02 0.17 0.16 -0.04 1.79 2.06 2dw5A1 LYS 525 HG2 -0.01 0.23 -0.02 -0.04 1.46 1.62 2dw5A1 LYS 525 HG3 0.02 -0.04 -0.00 -0.04 1.46 1.39 2dw5A1 LYS 525 HD2 0.01 -0.04 0.03 -0.04 1.69 1.65 2dw5A1 LYS 525 HD3 0.00 -0.03 0.04 -0.04 1.68 1.65 2dw5A1 LYS 525 HE2 0.00 0.06 0.02 -0.04 2.99 3.03 2dw5A1 LYS 525 HE3 0.01 0.00 0.00 -0.04 2.99 2.97 2dw5A1 ILE 526 H -0.14 0.75 0.27 -0.55 8.25 8.58 2dw5A1 ILE 526 HA -0.21 -0.01 0.46 -0.75 4.18 3.67 2dw5A1 ILE 526 HB -0.13 0.10 0.17 -0.04 1.89 1.99 2dw5A1 ILE 526 HG12 -0.94 -0.06 0.05 -0.04 1.49 0.50 2dw5A1 ILE 526 HG13 -0.39 0.11 0.04 -0.04 1.21 0.92 2dw5A1 ILE 526 HG23 -0.09 -0.01 -0.15 -0.04 0.93 0.64 2dw5A1 ILE 526 HD13 -0.31 0.03 -0.01 -0.04 0.88 0.55 2dw5A1 LYS 527 H -0.03 0.65 0.01 -0.55 8.42 8.51 2dw5A1 LYS 527 HA 0.02 0.05 0.45 -0.75 4.32 4.08 2dw5A1 LYS 527 HB2 -0.00 0.06 0.05 -0.04 1.87 1.93 2dw5A1 LYS 527 HB3 0.01 -0.02 -0.04 -0.04 1.79 1.70 2dw5A1 LYS 527 HG2 0.02 0.01 -0.09 -0.04 1.46 1.35 2dw5A1 LYS 527 HG3 0.01 0.00 0.04 -0.04 1.46 1.47 2dw5A1 LYS 527 HD2 0.00 -0.04 -0.06 -0.04 1.69 1.56 2dw5A1 LYS 527 HD3 0.01 0.01 -0.06 -0.04 1.68 1.59 2dw5A1 LYS 527 HE2 0.01 0.01 -0.03 -0.04 2.99 2.94 2dw5A1 LYS 527 HE3 0.01 0.01 -0.02 -0.04 2.99 2.95 2dw5A1 ASN 528 H 0.02 0.26 -0.22 -0.55 8.53 8.04 2dw5A1 ASN 528 HA 0.04 0.08 0.47 -0.75 4.76 4.60 2dw5A1 ASN 528 HB2 0.06 0.04 0.11 -0.04 2.88 3.04 2dw5A1 ASN 528 HB3 0.06 0.01 0.04 -0.04 2.79 2.86 2dw5A1 ASN 528 HD21 0.03 0.04 0.03 -0.04 7.03 7.09 2dw5A1 ASN 528 HD22 0.04 -0.14 0.12 -0.04 7.74 7.72 2dw5A1 ILE 529 H 0.04 0.54 -0.03 -0.55 8.25 8.26 2dw5A1 ILE 529 HA 0.08 0.02 0.52 -0.75 4.18 4.04 2dw5A1 ILE 529 HB 0.04 0.06 0.14 -0.04 1.89 2.09 2dw5A1 ILE 529 HG12 0.15 -0.01 -0.04 -0.04 1.49 1.55 2dw5A1 ILE 529 HG13 0.14 -0.04 -0.09 -0.04 1.21 1.18 2dw5A1 ILE 529 HG23 0.03 -0.01 -0.16 -0.04 0.93 0.75 2dw5A1 ILE 529 HD13 0.04 -0.01 -0.27 -0.04 0.88 0.60 2dw5A1 LEU 530 H 0.07 0.66 -0.07 -0.55 8.37 8.49 2dw5A1 LEU 530 HA 0.22 0.01 0.32 -0.75 4.35 4.14 2dw5A1 LEU 530 HB2 0.08 0.08 0.10 -0.04 1.64 1.86 2dw5A1 LEU 530 HB3 0.13 -0.03 0.00 -0.04 1.64 1.70 2dw5A1 LEU 530 HG 0.11 0.11 0.04 -0.04 1.64 1.86 2dw5A1 LEU 530 HD13 0.10 -0.02 -0.22 -0.04 0.93 0.75 2dw5A1 LEU 530 HD23 0.21 -0.02 -0.03 -0.04 0.89 1.02 2dw5A1 SER 531 H 0.06 0.31 -0.33 -0.55 8.46 7.96 2dw5A1 SER 531 HA 0.05 0.07 0.39 -0.75 4.49 4.25 2dw5A1 SER 531 HB2 0.03 -0.08 0.12 -0.04 3.95 3.98 2dw5A1 SER 531 HB3 0.04 0.04 0.11 -0.04 3.93 4.08 2dw5A1 ASN 532 H 0.07 0.42 -0.45 -0.55 8.53 8.03 2dw5A1 ASN 532 HA 0.04 -0.01 0.63 -0.75 4.76 4.67 2dw5A1 ASN 532 HB2 0.07 0.17 0.19 -0.04 2.88 3.27 2dw5A1 ASN 532 HB3 0.06 0.13 0.27 -0.04 2.79 3.21 2dw5A1 ASN 532 HD21 0.07 -0.01 0.04 -0.04 7.03 7.09 2dw5A1 ASN 532 HD22 0.11 0.11 0.05 -0.04 7.74 7.97 2dw5A1 LYS 533 H 0.01 0.19 0.29 -0.55 8.42 8.37 2dw5A1 LYS 533 HA 0.00 0.17 0.33 -0.75 4.32 4.07 2dw5A1 LYS 533 HB2 -0.00 -0.03 0.13 -0.04 1.87 1.92 2dw5A1 LYS 533 HB3 -0.01 -0.01 0.06 -0.04 1.79 1.79 2dw5A1 LYS 533 HG2 0.00 0.04 0.01 -0.04 1.46 1.47 2dw5A1 LYS 533 HG3 0.01 0.15 0.13 -0.04 1.46 1.71 2dw5A1 LYS 533 HD2 0.00 -0.03 0.04 -0.04 1.69 1.65 2dw5A1 LYS 533 HD3 -0.00 -0.01 0.02 -0.04 1.68 1.65 2dw5A1 LYS 533 HE2 0.01 0.02 0.03 -0.04 2.99 3.00 2dw5A1 LYS 533 HE3 0.01 0.02 0.05 -0.04 2.99 3.03 2dw5A1 THR 534 H -0.04 0.08 -0.03 -0.55 8.28 7.75 2dw5A1 THR 534 HA -0.12 0.15 0.69 -0.75 4.39 4.36 2dw5A1 THR 534 HB -0.22 0.04 0.08 -0.04 4.32 4.18 2dw5A1 THR 534 HG23 -0.04 0.02 0.01 -0.04 1.22 1.17 2dw5A1 LEU 535 H -0.06 0.07 -0.13 -0.55 8.37 7.71 2dw5A1 LEU 535 HA -0.06 0.06 0.58 -0.75 4.35 4.17 2dw5A1 LEU 535 HB2 0.03 -0.04 0.13 -0.04 1.64 1.73 2dw5A1 LEU 535 HB3 0.04 0.26 0.12 -0.04 1.64 2.01 2dw5A1 LEU 535 HG -0.01 -0.02 -0.14 -0.04 1.64 1.42 2dw5A1 LEU 535 HD13 -0.04 -0.01 0.11 -0.04 0.93 0.95 2dw5A1 LEU 535 HD23 -0.29 0.04 0.02 -0.04 0.89 0.62 2dw5A1 ARG 536 H 0.02 0.39 -0.23 -0.55 8.46 8.09 2dw5A1 ARG 536 HA 0.03 0.02 0.47 -0.75 4.34 4.10 2dw5A1 ARG 536 HB2 0.02 0.19 0.10 -0.04 1.90 2.16 2dw5A1 ARG 536 HB3 -0.04 0.07 0.07 -0.04 1.80 1.86 2dw5A1 ARG 536 HG2 -0.18 -0.05 -0.11 -0.04 1.67 1.29 2dw5A1 ARG 536 HG3 -0.53 -0.05 0.02 -0.04 1.67 1.07 2dw5A1 ARG 536 HD2 -0.07 0.00 -0.03 -0.04 3.22 3.09 2dw5A1 ARG 536 HD3 -0.14 -0.04 -0.03 -0.04 3.22 2.97 2dw5A1 GLU 537 H -0.03 0.27 -0.34 -0.55 8.60 7.95 2dw5A1 GLU 537 HA 0.02 0.07 0.54 -0.75 4.29 4.16 2dw5A1 GLU 537 HB2 -0.02 0.05 0.22 -0.04 2.09 2.29 2dw5A1 GLU 537 HB3 0.07 -0.02 -0.04 -0.04 1.99 1.95 2dw5A1 GLU 537 HG2 0.00 -0.03 0.06 -0.04 2.34 2.33 2dw5A1 GLU 537 HG3 -0.02 0.26 0.15 -0.04 2.34 2.69 2dw5A1 HIS 538 H 0.05 0.62 0.03 -0.55 8.41 8.57 2dw5A1 HIS 538 HA 0.11 0.03 0.56 -0.75 4.63 4.58 2dw5A1 HIS 538 HB2 0.11 0.20 0.29 -0.04 3.26 3.82 2dw5A1 HIS 538 HB3 0.15 -0.07 -0.01 -0.04 3.20 3.23 2dw5A1 HIS 538 HD2 0.03 -0.07 0.02 -0.04 6.97 6.91 2dw5A1 HIS 538 HE1 0.05 0.06 0.02 -0.04 7.75 7.84 2dw5A1 ASN 539 H 0.20 0.70 -0.04 -0.55 8.53 8.84 2dw5A1 ASN 539 HA 0.15 -0.05 0.43 -0.75 4.76 4.54 2dw5A1 ASN 539 HB2 0.20 0.14 0.16 -0.04 2.88 3.34 2dw5A1 ASN 539 HB3 0.20 -0.09 0.11 -0.04 2.79 2.97 2dw5A1 ASN 539 HD21 0.06 0.17 0.21 -0.04 7.03 7.42 2dw5A1 ASN 539 HD22 0.16 0.36 0.12 -0.04 7.74 8.34 2dw5A1 SER 540 H 0.05 0.41 -0.40 -0.55 8.46 7.97 2dw5A1 SER 540 HA -0.04 -0.00 0.65 -0.75 4.49 4.34 2dw5A1 SER 540 HB2 0.03 0.14 0.21 -0.04 3.95 4.29 2dw5A1 SER 540 HB3 -0.00 -0.06 0.03 -0.04 3.93 3.85 2dw5A1 PHE 541 H 0.18 0.54 -0.07 -0.55 8.34 8.44 2dw5A1 PHE 541 HA -0.10 0.03 0.51 -0.75 4.62 4.31 2dw5A1 PHE 541 HB2 -0.02 -0.01 0.13 -0.04 3.15 3.21 2dw5A1 PHE 541 HB3 -0.02 0.13 0.25 -0.04 3.06 3.37 2dw5A1 PHE 541 HD2 -0.06 -0.01 -0.03 -0.04 7.28 7.14 2dw5A1 PHE 541 HE2 0.00 0.05 -0.00 -0.04 7.38 7.39 2dw5A1 PHE 541 HZ 0.04 -0.01 -0.00 -0.04 7.32 7.31 2dw5A1 VAL 542 H -0.01 0.54 -0.04 -0.55 8.24 8.17 2dw5A1 VAL 542 HA -0.89 0.05 0.43 -0.75 4.13 2.97 2dw5A1 VAL 542 HB -0.07 0.01 0.10 -0.04 2.12 2.11 2dw5A1 VAL 542 HG13 -0.65 -0.00 -0.17 -0.04 0.97 0.10 2dw5A1 VAL 542 HG23 0.10 0.03 -0.11 -0.04 0.95 0.93 2dw5A1 GLU 543 H -0.16 0.57 -0.14 -0.55 8.60 8.31 2dw5A1 GLU 543 HA -0.19 -0.00 0.45 -0.75 4.29 3.80 2dw5A1 GLU 543 HB2 -0.05 -0.01 0.21 -0.04 2.09 2.20 2dw5A1 GLU 543 HB3 -0.10 0.20 0.20 -0.04 1.99 2.25 2dw5A1 GLU 543 HG2 -0.08 0.04 -0.17 -0.04 2.34 2.08 2dw5A1 GLU 543 HG3 -0.06 -0.07 0.10 -0.04 2.34 2.27 2dw5A1 ARG 544 H -0.27 0.46 -0.32 -0.55 8.46 7.77 2dw5A1 ARG 544 HA -0.14 -0.00 0.49 -0.75 4.34 3.94 2dw5A1 ARG 544 HB2 -0.17 0.15 0.20 -0.04 1.90 2.04 2dw5A1 ARG 544 HB3 -0.39 0.14 0.08 -0.04 1.80 1.59 2dw5A1 ARG 544 HG2 -0.12 -0.02 -0.05 -0.04 1.67 1.44 2dw5A1 ARG 544 HG3 -0.06 -0.04 0.07 -0.04 1.67 1.59 2dw5A1 ARG 544 HD2 -0.03 0.00 0.01 -0.04 3.22 3.16 2dw5A1 ARG 544 HD3 -0.01 0.00 0.01 -0.04 3.22 3.18 2dw5A1 CYS 545 H -0.79 0.43 -0.15 -0.55 8.50 7.44 2dw5A1 CYS 545 HA -0.47 0.01 0.51 -0.75 4.58 3.88 2dw5A1 CYS 545 HB2 -2.15 0.14 0.18 -0.04 2.97 1.09 2dw5A1 CYS 545 HB3 -2.59 -0.05 0.01 -0.04 2.97 0.30 2dw5A1 ILE 546 H -0.68 0.57 -0.06 -0.55 8.25 7.53 2dw5A1 ILE 546 HA -0.45 0.06 0.52 -0.75 4.18 3.55 2dw5A1 ILE 546 HB -0.23 0.00 0.16 -0.04 1.89 1.78 2dw5A1 ILE 546 HG12 -0.23 -0.01 -0.03 -0.04 1.49 1.19 2dw5A1 ILE 546 HG13 -0.81 0.06 -0.01 -0.04 1.21 0.41 2dw5A1 ILE 546 HG23 -0.00 0.06 -0.01 -0.04 0.93 0.93 2dw5A1 ILE 546 HD13 -0.05 0.00 -0.14 -0.04 0.88 0.66 2dw5A1 ASP 547 H -0.18 0.84 0.05 -0.55 8.40 8.56 2dw5A1 ASP 547 HA -0.05 -0.02 0.43 -0.75 4.63 4.24 2dw5A1 ASP 547 HB2 -0.06 0.06 0.19 -0.04 2.71 2.86 2dw5A1 ASP 547 HB3 -0.03 -0.05 0.02 -0.04 2.70 2.60 2dw5A1 TRP 548 H 0.07 0.47 -0.36 -0.55 7.97 7.60 2dw5A1 TRP 548 HA -0.07 -0.00 0.42 -0.75 4.62 4.21 2dw5A1 TRP 548 HB2 -0.11 0.06 0.16 -0.04 3.23 3.30 2dw5A1 TRP 548 HB3 -0.09 0.14 0.21 -0.04 3.23 3.44 2dw5A1 TRP 548 HD1 0.08 -0.02 -0.10 -0.04 7.22 7.14 2dw5A1 TRP 548 HE1 -0.04 0.04 -0.05 -0.04 10.20 10.11 2dw5A1 TRP 548 HE3 -0.07 0.00 0.02 -0.04 7.59 7.51 2dw5A1 TRP 548 HZ2 -0.05 0.05 -0.00 -0.04 7.44 7.39 2dw5A1 TRP 548 HZ3 -0.05 -0.02 0.00 -0.04 7.13 7.02 2dw5A1 TRP 548 HH2 -0.04 -0.00 -0.00 -0.04 7.19 7.10 2dw5A1 ASN 549 H 0.10 0.41 -0.07 -0.55 8.53 8.43 2dw5A1 ASN 549 HA 0.03 -0.01 0.54 -0.75 4.76 4.57 2dw5A1 ASN 549 HB2 -0.02 0.20 0.18 -0.04 2.88 3.21 2dw5A1 ASN 549 HB3 0.28 -0.02 -0.04 -0.04 2.79 2.96 2dw5A1 ASN 549 HD21 0.02 0.11 0.17 -0.04 7.03 7.30 2dw5A1 ASN 549 HD22 -0.31 0.21 0.24 -0.04 7.74 7.84 2dw5A1 ARG 550 H -0.01 0.69 -0.04 -0.55 8.46 8.54 2dw5A1 ARG 550 HA 0.02 0.03 0.43 -0.75 4.34 4.08 2dw5A1 ARG 550 HB2 -0.02 0.05 0.09 -0.04 1.90 1.99 2dw5A1 ARG 550 HB3 -0.04 0.11 0.08 -0.04 1.80 1.91 2dw5A1 ARG 550 HG2 -0.01 -0.02 -0.09 -0.04 1.67 1.51 2dw5A1 ARG 550 HG3 0.01 0.01 -0.04 -0.04 1.67 1.61 2dw5A1 ARG 550 HD2 -0.02 -0.03 -0.03 -0.04 3.22 3.10 2dw5A1 ARG 550 HD3 -0.02 -0.00 -0.07 -0.04 3.22 3.08 2dw5A1 GLU 551 H -0.13 0.49 -0.33 -0.55 8.60 8.08 2dw5A1 GLU 551 HA -0.10 0.01 0.32 -0.75 4.29 3.76 2dw5A1 GLU 551 HB2 -0.32 0.19 0.17 -0.04 2.09 2.08 2dw5A1 GLU 551 HB3 -0.21 -0.06 0.04 -0.04 1.99 1.72 2dw5A1 GLU 551 HG2 -0.09 0.16 0.08 -0.04 2.34 2.44 2dw5A1 GLU 551 HG3 -0.11 -0.06 0.01 -0.04 2.34 2.14 2dw5A1 LEU 552 H -0.26 0.38 -0.04 -0.55 8.37 7.90 2dw5A1 LEU 552 HA -0.21 0.02 0.56 -0.75 4.35 3.96 2dw5A1 LEU 552 HB2 -0.26 0.09 0.26 -0.04 1.64 1.68 2dw5A1 LEU 552 HB3 -0.06 0.05 0.11 -0.04 1.64 1.70 2dw5A1 LEU 552 HG -0.06 0.07 0.03 -0.04 1.64 1.63 2dw5A1 LEU 552 HD13 -0.29 -0.01 0.04 -0.04 0.93 0.63 2dw5A1 LEU 552 HD23 0.06 -0.02 0.02 -0.04 0.89 0.91 2dw5A1 LEU 553 H -0.02 0.79 -0.03 -0.55 8.37 8.56 2dw5A1 LEU 553 HA 0.01 0.03 0.35 -0.75 4.35 3.99 2dw5A1 LEU 553 HB2 0.04 0.11 0.12 -0.04 1.64 1.87 2dw5A1 LEU 553 HB3 0.08 -0.02 -0.05 -0.04 1.64 1.60 2dw5A1 LEU 553 HG 0.07 -0.05 -0.00 -0.04 1.64 1.61 2dw5A1 LEU 553 HD13 0.12 -0.01 -0.16 -0.04 0.93 0.84 2dw5A1 LEU 553 HD23 0.11 0.00 -0.08 -0.04 0.89 0.87 2dw5A1 LYS 554 H -0.03 0.58 -0.18 -0.55 8.42 8.24 2dw5A1 LYS 554 HA 0.01 -0.11 0.52 -0.75 4.32 3.99 2dw5A1 LYS 554 HB2 -0.05 0.03 0.17 -0.04 1.87 1.98 2dw5A1 LYS 554 HB3 -0.03 -0.01 0.01 -0.04 1.79 1.72 2dw5A1 LYS 554 HG2 0.00 0.04 -0.15 -0.04 1.46 1.31 2dw5A1 LYS 554 HG3 0.00 0.05 -0.04 -0.04 1.46 1.43 2dw5A1 LYS 554 HD2 -0.01 -0.06 -0.17 -0.04 1.69 1.40 2dw5A1 LYS 554 HD3 -0.04 -0.03 -0.20 -0.04 1.68 1.38 2dw5A1 LYS 554 HE2 -0.03 0.03 -0.03 -0.04 2.99 2.92 2dw5A1 LYS 554 HE3 -0.01 -0.08 -0.11 -0.04 2.99 2.75 2dw5A1 ARG 555 H -0.07 0.51 -0.16 -0.55 8.46 8.19 2dw5A1 ARG 555 HA -0.04 -0.00 0.47 -0.75 4.34 4.01 2dw5A1 ARG 555 HB2 -0.09 0.02 0.19 -0.04 1.90 1.97 2dw5A1 ARG 555 HB3 -0.09 0.06 0.24 -0.04 1.80 1.98 2dw5A1 ARG 555 HG2 -0.04 0.04 -0.12 -0.04 1.67 1.51 2dw5A1 ARG 555 HG3 -0.05 -0.06 0.06 -0.04 1.67 1.58 2dw5A1 ARG 555 HD2 -0.05 -0.04 0.00 -0.04 3.22 3.09 2dw5A1 ARG 555 HD3 -0.09 -0.04 0.02 -0.04 3.22 3.07 2dw5A1 GLU 556 H -0.05 0.68 0.08 -0.55 8.60 8.75 2dw5A1 GLU 556 HA -0.06 0.04 0.26 -0.75 4.29 3.78 2dw5A1 GLU 556 HB2 -0.06 0.01 -0.04 -0.04 2.09 1.97 2dw5A1 GLU 556 HB3 -0.10 0.05 0.01 -0.04 1.99 1.90 2dw5A1 GLU 556 HG2 -0.07 0.06 0.10 -0.04 2.34 2.39 2dw5A1 GLU 556 HG3 -0.06 -0.04 -0.01 -0.04 2.34 2.18 2dw5A1 LEU 557 H -0.02 0.34 -0.32 -0.55 8.37 7.83 2dw5A1 LEU 557 HA -0.07 0.19 0.77 -0.75 4.35 4.49 2dw5A1 LEU 557 HB2 0.03 0.15 0.09 -0.04 1.64 1.87 2dw5A1 LEU 557 HB3 0.08 -0.07 -0.07 -0.04 1.64 1.53 2dw5A1 LEU 557 HG -0.03 0.03 -0.01 -0.04 1.64 1.58 2dw5A1 LEU 557 HD13 -0.12 0.01 -0.13 -0.04 0.93 0.65 2dw5A1 LEU 557 HD23 0.16 -0.04 -0.07 -0.04 0.89 0.90 2dw5A1 GLY 558 H 0.01 0.26 -0.17 -0.55 8.43 7.98 2dw5A1 GLY 558 HA2 0.02 0.01 0.37 -0.51 4.01 3.89 2dw5A1 GLY 558 HA3 0.04 0.09 0.51 -0.51 4.01 4.15 2dw5A1 LEU 559 H 0.04 0.25 0.13 -0.55 8.37 8.24 2dw5A1 LEU 559 HA 0.07 0.10 0.42 -0.75 4.35 4.19 2dw5A1 LEU 559 HB2 0.06 -0.08 -0.07 -0.04 1.64 1.51 2dw5A1 LEU 559 HB3 0.08 0.01 -0.04 -0.04 1.64 1.65 2dw5A1 LEU 559 HG 0.12 0.06 -0.27 -0.04 1.64 1.51 2dw5A1 LEU 559 HD13 0.19 -0.02 -0.18 -0.04 0.93 0.87 2dw5A1 LEU 559 HD23 0.33 0.03 -0.19 -0.04 0.89 1.02 2dw5A1 ALA 560 H 0.01 0.16 0.22 -0.55 8.40 8.24 2dw5A1 ALA 560 HA -0.00 0.17 0.70 -0.75 4.34 4.46 2dw5A1 ALA 560 HB3 -0.01 0.01 0.11 -0.04 1.41 1.48 2dw5A1 GLU 561 H -0.01 0.18 0.11 -0.55 8.60 8.34 2dw5A1 GLU 561 HA -0.00 0.11 0.41 -0.75 4.29 4.05 2dw5A1 GLU 561 HB2 -0.01 -0.04 0.12 -0.04 2.09 2.12 2dw5A1 GLU 561 HB3 -0.01 0.06 0.03 -0.04 1.99 2.03 2dw5A1 GLU 561 HG2 -0.01 -0.00 0.08 -0.04 2.34 2.36 2dw5A1 GLU 561 HG3 -0.01 -0.00 0.04 -0.04 2.34 2.33 2dw5A1 SER 562 H -0.02 0.02 -0.32 -0.55 8.46 7.60 2dw5A1 SER 562 HA -0.02 0.13 0.40 -0.75 4.49 4.24 2dw5A1 SER 562 HB2 -0.03 0.04 0.10 -0.04 3.95 4.02 2dw5A1 SER 562 HB3 -0.02 -0.05 0.07 -0.04 3.93 3.89 2dw5A1 ASP 563 H -0.02 0.49 -0.39 -0.55 8.40 7.92 2dw5A1 ASP 563 HA -0.12 0.18 0.93 -0.75 4.63 4.87 2dw5A1 ASP 563 HB2 0.02 0.15 0.12 -0.04 2.71 2.95 2dw5A1 ASP 563 HB3 -0.00 -0.02 0.09 -0.04 2.70 2.73 2dw5A1 ILE 564 H -0.01 0.64 -0.11 -0.55 8.25 8.22 2dw5A1 ILE 564 HA 0.01 0.29 0.75 -0.75 4.18 4.48 2dw5A1 ILE 564 HB 0.01 -0.01 0.12 -0.04 1.89 1.97 2dw5A1 ILE 564 HG12 0.03 0.05 -0.17 -0.04 1.49 1.35 2dw5A1 ILE 564 HG13 0.03 -0.05 -0.23 -0.04 1.21 0.92 2dw5A1 ILE 564 HG23 0.01 -0.03 -0.27 -0.04 0.93 0.60 2dw5A1 ILE 564 HD13 0.01 -0.04 -0.15 -0.04 0.88 0.66 2dw5A1 ILE 565 H 0.01 0.79 0.33 -0.55 8.25 8.82 2dw5A1 ILE 565 HA 0.01 0.11 0.92 -0.75 4.18 4.47 2dw5A1 ILE 565 HB 0.02 -0.03 0.03 -0.04 1.89 1.86 2dw5A1 ILE 565 HG12 0.01 -0.00 -0.45 -0.04 1.49 1.00 2dw5A1 ILE 565 HG13 0.02 0.02 -0.16 -0.04 1.21 1.05 2dw5A1 ILE 565 HG23 0.02 -0.00 -0.20 -0.04 0.93 0.71 2dw5A1 ILE 565 HD13 0.01 0.01 -0.06 -0.04 0.88 0.79 2dw5A1 ASP 566 H 0.02 0.14 0.07 -0.55 8.40 8.08 2dw5A1 ASP 566 HA 0.04 0.30 0.76 -0.75 4.63 4.97 2dw5A1 ASP 566 HB2 0.02 -0.03 0.08 -0.04 2.71 2.75 2dw5A1 ASP 566 HB3 0.04 -0.11 -0.05 -0.04 2.70 2.53 2dw5A1 ILE 567 H 0.06 0.61 0.17 -0.55 8.25 8.55 2dw5A1 ILE 567 HA 0.06 0.21 0.68 -0.75 4.18 4.37 2dw5A1 ILE 567 HB 0.08 -0.07 -0.12 -0.04 1.89 1.75 2dw5A1 ILE 567 HG12 0.05 0.09 -0.32 -0.04 1.49 1.26 2dw5A1 ILE 567 HG13 0.06 -0.00 -0.25 -0.04 1.21 0.97 2dw5A1 ILE 567 HG23 0.10 0.00 -0.27 -0.04 0.93 0.72 2dw5A1 ILE 567 HD13 0.06 0.04 -0.21 -0.04 0.88 0.72 2dw5A1 PRO 568 HA 0.03 0.08 0.40 -0.51 4.44 4.44 2dw5A1 PRO 568 HB2 -0.00 -0.05 -0.04 -0.04 2.28 2.14 2dw5A1 PRO 568 HB3 -0.03 0.05 -0.19 -0.04 2.02 1.80 2dw5A1 PRO 568 HG2 0.05 -0.01 0.09 -0.04 2.03 2.12 2dw5A1 PRO 568 HG3 0.01 0.05 0.04 -0.04 2.03 2.08 2dw5A1 PRO 568 HD2 0.05 0.14 0.13 -0.04 3.68 3.97 2dw5A1 PRO 568 HD3 0.03 0.19 0.02 -0.04 3.65 3.85 2dw5A1 GLN 569 H 0.04 0.45 0.11 -0.55 8.47 8.52 2dw5A1 GLN 569 HA -0.12 0.05 0.67 -0.75 4.36 4.20 2dw5A1 GLN 569 HB2 0.03 0.13 -0.30 -0.04 2.15 1.97 2dw5A1 GLN 569 HB3 0.09 -0.16 -0.02 -0.04 2.02 1.89 2dw5A1 GLN 569 HG2 -0.20 0.02 -0.06 -0.04 2.40 2.12 2dw5A1 GLN 569 HG3 -0.83 0.05 -0.30 -0.04 2.39 1.26 2dw5A1 GLN 569 HE21 -0.70 0.29 -0.09 -0.04 6.97 6.43 2dw5A1 GLN 569 HE22 -0.94 0.25 0.11 -0.04 7.69 7.07 2dw5A1 LEU 570 H -0.85 0.15 0.13 -0.55 8.37 7.25 2dw5A1 LEU 570 HA -0.04 0.14 0.92 -0.75 4.35 4.61 2dw5A1 LEU 570 HB2 -0.23 -0.04 0.09 -0.04 1.64 1.42 2dw5A1 LEU 570 HB3 -0.25 0.09 -0.05 -0.04 1.64 1.39 2dw5A1 LEU 570 HG -0.30 0.08 0.02 -0.04 1.64 1.40 2dw5A1 LEU 570 HD13 -0.28 -0.01 -0.07 -0.04 0.93 0.53 2dw5A1 LEU 570 HD23 -0.20 0.00 -0.08 -0.04 0.89 0.58 2dw5A1 PHE 571 H 0.22 0.21 0.23 -0.55 8.34 8.44 2dw5A1 PHE 571 HA 0.11 0.08 0.99 -0.75 4.62 5.04 2dw5A1 PHE 571 HB2 0.13 -0.08 -0.05 -0.04 3.15 3.11 2dw5A1 PHE 571 HB3 0.16 0.12 0.01 -0.04 3.06 3.31 2dw5A1 PHE 571 HD2 0.07 0.00 -0.37 -0.04 7.28 6.95 2dw5A1 PHE 571 HE2 0.07 0.01 -0.19 -0.04 7.38 7.23 2dw5A1 PHE 571 HZ 0.16 0.14 -0.06 -0.04 7.32 7.53 2dw5A1 LYS 572 H 0.32 0.82 0.28 -0.55 8.42 9.29 2dw5A1 LYS 572 HA 0.36 0.04 0.61 -0.75 4.32 4.58 2dw5A1 LYS 572 HB2 0.33 0.04 0.03 -0.04 1.87 2.23 2dw5A1 LYS 572 HB3 0.55 -0.00 -0.09 -0.04 1.79 2.21 2dw5A1 LYS 572 HG2 0.19 0.02 -0.22 -0.04 1.46 1.41 2dw5A1 LYS 572 HG3 0.12 0.01 -0.26 -0.04 1.46 1.30 2dw5A1 LYS 572 HD2 0.09 -0.01 -0.09 -0.04 1.69 1.63 2dw5A1 LYS 572 HD3 0.15 -0.03 -0.11 -0.04 1.68 1.65 2dw5A1 LYS 572 HE2 -0.03 0.22 -0.17 -0.04 2.99 2.96 2dw5A1 LYS 572 HE3 -0.06 -0.04 -0.11 -0.04 2.99 2.73 2dw5A1 LEU 573 H 0.03 0.08 0.09 -0.55 8.37 8.02 2dw5A1 LEU 573 HA 0.01 0.33 0.63 -0.75 4.35 4.56 2dw5A1 LEU 573 HB2 -0.72 -0.06 0.00 -0.04 1.64 0.82 2dw5A1 LEU 573 HB3 -0.19 -0.05 -0.22 -0.04 1.64 1.14 2dw5A1 LEU 573 HG -0.39 -0.14 -0.03 -0.04 1.64 1.03 2dw5A1 LEU 573 HD13 -0.36 0.02 -0.00 -0.04 0.93 0.55 2dw5A1 LEU 573 HD23 0.16 0.08 -0.30 -0.04 0.89 0.79 2dw5A1 LYS 574 H -0.00 0.66 0.04 -0.55 8.42 8.56 2dw5A1 LYS 574 HA -0.00 -0.02 0.65 -0.75 4.32 4.20 2dw5A1 LYS 574 HB2 0.00 0.06 -0.06 -0.04 1.87 1.84 2dw5A1 LYS 574 HB3 -0.00 0.00 -0.05 -0.04 1.79 1.70 2dw5A1 LYS 574 HG2 0.05 0.07 0.04 -0.04 1.46 1.58 2dw5A1 LYS 574 HG3 0.06 -0.03 -0.44 -0.04 1.46 1.00 2dw5A1 LYS 574 HD2 -0.02 0.02 -0.08 -0.04 1.69 1.58 2dw5A1 LYS 574 HD3 0.00 -0.02 -0.03 -0.04 1.68 1.59 2dw5A1 LYS 574 HE2 0.03 -0.03 -0.01 -0.04 2.99 2.94 2dw5A1 LYS 574 HE3 0.07 -0.00 -0.05 -0.04 2.99 2.97 2dw5A1 GLU 575 H -0.08 0.09 0.10 -0.55 8.60 8.16 2dw5A1 GLU 575 HA -0.30 -0.03 0.44 -0.75 4.29 3.64 2dw5A1 GLU 575 HB2 0.04 0.25 -0.30 -0.04 2.09 2.04 2dw5A1 GLU 575 HB3 0.07 0.06 0.05 -0.04 1.99 2.13 2dw5A1 GLU 575 HG2 -0.15 -0.03 0.03 -0.04 2.34 2.14 2dw5A1 GLU 575 HG3 -0.03 -0.02 -0.11 -0.04 2.34 2.13 2dw5A1 PHE 576 H -0.43 0.10 0.15 -0.55 8.34 7.61 2dw5A1 PHE 576 HA -0.02 0.02 0.29 -0.75 4.62 4.16 2dw5A1 PHE 576 HB2 -0.01 0.25 0.22 -0.04 3.15 3.57 2dw5A1 PHE 576 HB3 -0.01 0.02 0.18 -0.04 3.06 3.21 2dw5A1 PHE 576 HD2 -0.01 0.10 -0.13 -0.04 7.28 7.20 2dw5A1 PHE 576 HE2 -0.01 0.01 -0.02 -0.04 7.38 7.32 2dw5A1 PHE 576 HZ -0.01 0.01 -0.01 -0.04 7.32 7.27 2dw5A1 SER 577 H -0.03 -0.08 -0.44 -0.55 8.46 7.36 2dw5A1 SER 577 HA -0.08 -0.09 0.08 -0.75 4.49 3.65 2dw5A1 SER 577 HB2 -0.03 0.26 -0.03 -0.04 3.95 4.11 2dw5A1 SER 577 HB3 -0.16 -0.01 0.16 -0.04 3.93 3.88 2dw5A1 LYS 578 H 0.07 0.24 -0.56 -0.55 8.42 7.62 2dw5A1 LYS 578 HA 0.11 0.26 0.51 -0.75 4.32 4.45 2dw5A1 LYS 578 HB2 0.08 0.20 0.07 -0.04 1.87 2.19 2dw5A1 LYS 578 HB3 0.01 -0.09 -0.26 -0.04 1.79 1.42 2dw5A1 LYS 578 HG2 0.15 -0.05 -0.17 -0.04 1.46 1.36 2dw5A1 LYS 578 HG3 0.08 0.00 -0.02 -0.04 1.46 1.47 2dw5A1 LYS 578 HD2 -0.00 0.09 -0.45 -0.04 1.69 1.29 2dw5A1 LYS 578 HD3 0.09 -0.04 -0.19 -0.04 1.68 1.50 2dw5A1 LYS 578 HE2 0.02 -0.09 -0.00 -0.04 2.99 2.87 2dw5A1 LYS 578 HE3 -0.02 0.04 0.01 -0.04 2.99 2.98 2dw5A1 ALA 579 H 0.05 0.54 0.38 -0.55 8.40 8.83 2dw5A1 ALA 579 HA 0.14 0.18 0.43 -0.75 4.34 4.33 2dw5A1 ALA 579 HB3 0.19 -0.02 0.03 -0.04 1.41 1.57 2dw5A1 GLU 580 H 0.14 0.69 0.44 -0.55 8.60 9.33 2dw5A1 GLU 580 HA 0.03 0.09 0.75 -0.75 4.29 4.41 2dw5A1 GLU 580 HB2 -0.04 0.03 -0.02 -0.04 2.09 2.02 2dw5A1 GLU 580 HB3 -0.19 -0.01 0.15 -0.04 1.99 1.90 2dw5A1 GLU 580 HG2 -0.16 -0.03 -0.01 -0.04 2.34 2.11 2dw5A1 GLU 580 HG3 -0.05 0.08 -0.12 -0.04 2.34 2.21 2dw5A1 ALA 581 H 0.00 0.15 0.13 -0.55 8.40 8.14 2dw5A1 ALA 581 HA -0.36 0.09 0.62 -0.75 4.34 3.94 2dw5A1 ALA 581 HB3 -0.08 0.07 0.07 -0.04 1.41 1.42 2dw5A1 PHE 582 H -0.16 0.55 0.25 -0.55 8.34 8.42 2dw5A1 PHE 582 HA 0.10 0.08 0.34 -0.75 4.62 4.39 2dw5A1 PHE 582 HB2 -0.01 -0.05 -0.43 -0.04 3.15 2.62 2dw5A1 PHE 582 HB3 -0.16 -0.08 -0.13 -0.04 3.06 2.65 2dw5A1 PHE 582 HD2 0.27 -0.01 -0.22 -0.04 7.28 7.28 2dw5A1 PHE 582 HE2 0.21 -0.03 -0.06 -0.04 7.38 7.46 2dw5A1 PHE 582 HZ 0.22 -0.01 -0.05 -0.04 7.32 7.44 2dw5A1 PHE 583 H -0.39 0.11 0.05 -0.55 8.34 7.56 2dw5A1 PHE 583 HA 0.33 0.22 0.45 -0.75 4.62 4.86 2dw5A1 PHE 583 HB2 0.22 0.21 0.14 -0.04 3.15 3.69 2dw5A1 PHE 583 HB3 0.30 0.01 0.03 -0.04 3.06 3.36 2dw5A1 PHE 583 HD2 0.16 0.16 -0.19 -0.04 7.28 7.37 2dw5A1 PHE 583 HE2 -0.04 0.06 -0.01 -0.04 7.38 7.34 2dw5A1 PHE 583 HZ -0.11 0.04 -0.19 -0.04 7.32 7.03 2dw5A1 PRO 584 HA -0.31 -0.04 0.31 -0.51 4.44 3.89 2dw5A1 PRO 584 HB2 0.17 0.03 -0.33 -0.04 2.28 2.11 2dw5A1 PRO 584 HB3 0.06 -0.07 -0.09 -0.04 2.02 1.88 2dw5A1 PRO 584 HG2 0.46 0.20 0.07 -0.04 2.03 2.72 2dw5A1 PRO 584 HG3 -0.39 -0.05 0.04 -0.04 2.03 1.58 2dw5A1 PRO 584 HD2 0.43 0.28 0.22 -0.04 3.68 4.57 2dw5A1 PRO 584 HD3 0.09 0.14 0.12 -0.04 3.65 3.95 2dw5A1 ASN 585 H 0.08 0.08 0.09 -0.55 8.53 8.23 2dw5A1 ASN 585 HA -0.06 0.05 0.38 -0.75 4.76 4.37 2dw5A1 ASN 585 HB2 0.02 -0.00 0.15 -0.04 2.88 3.00 2dw5A1 ASN 585 HB3 0.08 -0.04 0.20 -0.04 2.79 2.99 2dw5A1 ASN 585 HD21 0.24 0.78 0.21 -0.04 7.03 8.22 2dw5A1 ASN 585 HD22 0.11 -0.13 0.08 -0.04 7.74 7.76 2dw5A1 MET 586 H 0.12 0.20 0.22 -0.55 8.47 8.47 2dw5A1 MET 586 HA 0.14 0.07 0.09 -0.75 4.52 4.07 2dw5A1 MET 586 HB2 0.17 -0.00 0.04 -0.04 2.15 2.31 2dw5A1 MET 586 HB3 0.17 0.02 -0.07 -0.04 2.03 2.10 2dw5A1 MET 586 HG2 0.23 0.25 -0.03 -0.04 2.63 3.04 2dw5A1 MET 586 HG3 0.25 0.11 0.03 -0.04 2.56 2.91 2dw5A1 MET 586 HE3 0.18 -0.02 -0.01 -0.04 2.10 2.21 2dw5A1 VAL 587 H 0.09 0.03 -0.32 -0.55 8.24 7.48 2dw5A1 VAL 587 HA 0.05 0.11 0.29 -0.75 4.13 3.82 2dw5A1 VAL 587 HB 0.09 -0.09 -0.18 -0.04 2.12 1.90 2dw5A1 VAL 587 HG13 0.11 0.01 -0.40 -0.04 0.97 0.65 2dw5A1 VAL 587 HG23 0.01 0.05 -0.45 -0.04 0.95 0.52 2dw5A1 ASN 588 H 0.08 0.24 -0.47 -0.55 8.53 7.83 2dw5A1 ASN 588 HA -0.02 0.27 0.48 -0.75 4.76 4.74 2dw5A1 ASN 588 HB2 0.08 0.07 0.04 -0.04 2.88 3.03 2dw5A1 ASN 588 HB3 0.12 0.05 0.22 -0.04 2.79 3.14 2dw5A1 ASN 588 HD21 0.20 -0.08 -0.12 -0.04 7.03 6.99 2dw5A1 ASN 588 HD22 0.07 0.24 -0.37 -0.04 7.74 7.64 2dw5A1 MET 589 H 0.02 0.58 0.11 -0.55 8.47 8.64 2dw5A1 MET 589 HA 0.09 0.09 0.84 -0.75 4.52 4.79 2dw5A1 MET 589 HB2 0.02 -0.02 -0.23 -0.04 2.15 1.88 2dw5A1 MET 589 HB3 0.04 0.12 -0.17 -0.04 2.03 1.99 2dw5A1 MET 589 HG2 0.02 0.18 -0.00 -0.04 2.63 2.78 2dw5A1 MET 589 HG3 0.05 -0.01 -0.40 -0.04 2.56 2.16 2dw5A1 MET 589 HE3 0.04 -0.02 -0.12 -0.04 2.10 1.95 2dw5A1 LEU 590 H 0.06 0.50 0.27 -0.55 8.37 8.65 2dw5A1 LEU 590 HA 0.17 0.16 0.76 -0.75 4.35 4.69 2dw5A1 LEU 590 HB2 0.05 -0.02 -0.03 -0.04 1.64 1.59 2dw5A1 LEU 590 HB3 0.00 -0.12 0.20 -0.04 1.64 1.68 2dw5A1 LEU 590 HG 0.03 0.08 -0.33 -0.04 1.64 1.38 2dw5A1 LEU 590 HD13 0.05 0.02 -0.09 -0.04 0.93 0.87 2dw5A1 LEU 590 HD23 -0.03 -0.02 -0.08 -0.04 0.89 0.72 2dw5A1 VAL 591 H 0.13 0.23 0.17 -0.55 8.24 8.22 2dw5A1 VAL 591 HA 0.05 0.10 0.71 -0.75 4.13 4.24 2dw5A1 VAL 591 HB 0.09 0.01 0.29 -0.04 2.12 2.47 2dw5A1 VAL 591 HG13 0.06 0.01 0.00 -0.04 0.97 1.00 2dw5A1 VAL 591 HG23 0.08 0.04 -0.02 -0.04 0.95 1.01 2dw5A1 LEU 592 H 0.05 0.70 0.14 -0.55 8.37 8.71 2dw5A1 LEU 592 HA 0.05 0.18 0.90 -0.75 4.35 4.72 2dw5A1 LEU 592 HB2 0.06 0.08 0.08 -0.04 1.64 1.82 2dw5A1 LEU 592 HB3 0.08 -0.02 0.14 -0.04 1.64 1.80 2dw5A1 LEU 592 HG 0.02 0.04 -0.09 -0.04 1.64 1.57 2dw5A1 LEU 592 HD13 0.04 0.00 -0.28 -0.04 0.93 0.65 2dw5A1 LEU 592 HD23 -0.01 -0.01 -0.30 -0.04 0.89 0.53 2dw5A1 GLY 593 H 0.03 0.33 -0.03 -0.55 8.43 8.22 2dw5A1 GLY 593 HA2 0.01 0.13 0.32 -0.51 4.01 3.95 2dw5A1 GLY 593 HA3 0.00 0.01 0.64 -0.51 4.01 4.16 2dw5A1 LYS 594 H -0.13 0.15 0.21 -0.55 8.42 8.11 2dw5A1 LYS 594 HA -0.07 0.16 0.55 -0.75 4.32 4.21 2dw5A1 LYS 594 HB2 -0.28 -0.03 0.13 -0.04 1.87 1.64 2dw5A1 LYS 594 HB3 -0.17 0.07 0.25 -0.04 1.79 1.90 2dw5A1 LYS 594 HG2 -0.08 -0.04 0.05 -0.04 1.46 1.34 2dw5A1 LYS 594 HG3 -0.06 0.16 -0.01 -0.04 1.46 1.50 2dw5A1 LYS 594 HD2 -0.03 0.06 -0.40 -0.04 1.69 1.28 2dw5A1 LYS 594 HD3 -0.05 -0.07 -0.02 -0.04 1.68 1.50 2dw5A1 LYS 594 HE2 -0.00 0.03 -0.09 -0.04 2.99 2.88 2dw5A1 LYS 594 HE3 -0.02 -0.04 -0.05 -0.04 2.99 2.85 2dw5A1 HIS 595 H -0.04 0.51 -0.32 -0.55 8.41 8.02 2dw5A1 HIS 595 HA -0.03 0.08 0.88 -0.75 4.63 4.81 2dw5A1 HIS 595 HB2 -0.02 0.18 0.17 -0.04 3.26 3.55 2dw5A1 HIS 595 HB3 -0.03 -0.09 -0.03 -0.04 3.20 3.01 2dw5A1 HIS 595 HD2 -0.01 0.12 -0.08 -0.04 6.97 6.95 2dw5A1 HIS 595 HE1 -0.01 -0.06 -0.04 -0.04 7.75 7.59 2dw5A1 LEU 596 H 0.00 0.80 0.35 -0.55 8.37 8.98 2dw5A1 LEU 596 HA 0.00 0.32 0.85 -0.75 4.35 4.77 2dw5A1 LEU 596 HB2 -0.09 -0.08 0.05 -0.04 1.64 1.47 2dw5A1 LEU 596 HB3 -0.06 -0.05 -0.14 -0.04 1.64 1.35 2dw5A1 LEU 596 HG -0.02 0.05 -0.30 -0.04 1.64 1.33 2dw5A1 LEU 596 HD13 -0.01 -0.02 -0.22 -0.04 0.93 0.64 2dw5A1 LEU 596 HD23 0.02 0.03 -0.28 -0.04 0.89 0.62 2dw5A1 GLY 597 H -0.02 0.76 0.28 -0.55 8.43 8.91 2dw5A1 GLY 597 HA2 -0.11 0.16 0.90 -0.51 4.01 4.45 2dw5A1 GLY 597 HA3 -0.07 -0.04 0.38 -0.51 4.01 3.77 2dw5A1 ILE 598 H -0.22 0.80 0.23 -0.55 8.25 8.52 2dw5A1 ILE 598 HA 0.00 0.21 0.57 -0.75 4.18 4.21 2dw5A1 ILE 598 HB -0.62 -0.08 -0.09 -0.04 1.89 1.07 2dw5A1 ILE 598 HG12 -0.07 0.09 -0.31 -0.04 1.49 1.16 2dw5A1 ILE 598 HG13 -0.25 0.00 -0.33 -0.04 1.21 0.59 2dw5A1 ILE 598 HG23 0.17 0.08 -0.12 -0.04 0.93 1.03 2dw5A1 ILE 598 HD13 -0.18 -0.01 -0.18 -0.04 0.88 0.48 2dw5A1 PRO 599 HA 0.14 0.11 0.61 -0.51 4.44 4.80 2dw5A1 PRO 599 HB2 0.16 0.04 -0.40 -0.04 2.28 2.03 2dw5A1 PRO 599 HB3 0.17 -0.09 -0.04 -0.04 2.02 2.02 2dw5A1 PRO 599 HG2 0.13 0.31 -0.14 -0.04 2.03 2.29 2dw5A1 PRO 599 HG3 0.14 -0.26 0.13 -0.04 2.03 1.99 2dw5A1 PRO 599 HD2 0.11 0.21 0.07 -0.04 3.68 4.02 2dw5A1 PRO 599 HD3 0.08 0.26 0.17 -0.04 3.65 4.13 2dw5A1 LYS 600 H 0.15 0.54 0.16 -0.55 8.42 8.72 2dw5A1 LYS 600 HA 0.06 0.12 0.45 -0.75 4.32 4.20 2dw5A1 LYS 600 HB2 0.01 0.01 -0.47 -0.04 1.87 1.38 2dw5A1 LYS 600 HB3 -0.18 -0.11 -0.03 -0.04 1.79 1.43 2dw5A1 LYS 600 HG2 -0.96 -0.15 -0.10 -0.04 1.46 0.21 2dw5A1 LYS 600 HG3 -0.27 0.05 -0.03 -0.04 1.46 1.17 2dw5A1 LYS 600 HD2 -0.12 0.12 -0.13 -0.04 1.69 1.52 2dw5A1 LYS 600 HD3 -0.58 -0.06 -0.06 -0.04 1.68 0.93 2dw5A1 LYS 600 HE2 -0.11 0.03 0.00 -0.04 2.99 2.88 2dw5A1 LYS 600 HE3 -0.45 -0.04 0.00 -0.04 2.99 2.46 2dw5A1 PRO 601 HA 0.19 0.17 0.38 -0.51 4.44 4.67 2dw5A1 PRO 601 HB2 -0.43 -0.07 -0.07 -0.04 2.28 1.68 2dw5A1 PRO 601 HB3 0.00 0.19 0.03 -0.04 2.02 2.20 2dw5A1 PRO 601 HG2 -0.28 -0.24 0.07 -0.04 2.03 1.55 2dw5A1 PRO 601 HG3 -0.20 0.07 -0.02 -0.04 2.03 1.85 2dw5A1 PRO 601 HD2 -0.31 -0.02 0.20 -0.04 3.68 3.51 2dw5A1 PRO 601 HD3 0.01 0.44 0.23 -0.04 3.65 4.29 2dw5A1 PHE 602 H -0.35 0.05 -0.21 -0.55 8.34 7.27 2dw5A1 PHE 602 HA -0.07 0.04 0.32 -0.75 4.62 4.16 2dw5A1 PHE 602 HB2 0.09 0.21 0.09 -0.04 3.15 3.50 2dw5A1 PHE 602 HB3 -0.00 -0.00 0.16 -0.04 3.06 3.18 2dw5A1 PHE 602 HD2 0.07 0.20 -0.08 -0.04 7.28 7.43 2dw5A1 PHE 602 HE2 0.10 -0.07 0.01 -0.04 7.38 7.39 2dw5A1 PHE 602 HZ 0.08 -0.03 -0.01 -0.04 7.32 7.32 2dw5A1 GLY 603 H -0.19 -0.06 -0.01 -0.55 8.43 7.64 2dw5A1 GLY 603 HA2 -0.26 0.18 0.51 -0.51 4.01 3.94 2dw5A1 GLY 603 HA3 -0.23 -0.10 0.31 -0.51 4.01 3.48 2dw5A1 PRO 604 HA -0.14 0.24 0.47 -0.51 4.44 4.50 2dw5A1 PRO 604 HB2 -0.24 -0.02 -0.00 -0.04 2.28 1.98 2dw5A1 PRO 604 HB3 -0.22 0.00 -0.14 -0.04 2.02 1.61 2dw5A1 PRO 604 HG2 -0.80 0.05 -0.00 -0.04 2.03 1.23 2dw5A1 PRO 604 HG3 -0.42 0.08 -0.22 -0.04 2.03 1.43 2dw5A1 PRO 604 HD2 -0.19 0.02 0.18 -0.04 3.68 3.65 2dw5A1 PRO 604 HD3 -0.28 0.15 0.16 -0.04 3.65 3.64 2dw5A1 VAL 605 H -0.08 0.17 0.17 -0.55 8.24 7.94 2dw5A1 VAL 605 HA -0.09 0.17 0.25 -0.75 4.13 3.69 2dw5A1 VAL 605 HB -0.04 -0.01 0.12 -0.04 2.12 2.14 2dw5A1 VAL 605 HG13 -0.04 -0.02 -0.35 -0.04 0.97 0.52 2dw5A1 VAL 605 HG23 -0.04 0.03 -0.14 -0.04 0.95 0.75 2dw5A1 ILE 606 H -0.12 0.77 0.25 -0.55 8.25 8.60 2dw5A1 ILE 606 HA -0.14 0.11 0.87 -0.75 4.18 4.27 2dw5A1 ILE 606 HB -0.21 0.04 0.11 -0.04 1.89 1.79 2dw5A1 ILE 606 HG12 -0.59 0.03 -0.03 -0.04 1.49 0.86 2dw5A1 ILE 606 HG13 -0.57 0.02 -0.00 -0.04 1.21 0.61 2dw5A1 ILE 606 HG23 -0.38 0.01 -0.15 -0.04 0.93 0.37 2dw5A1 ILE 606 HD13 -0.17 -0.01 -0.45 -0.04 0.88 0.21 2dw5A1 ASN 607 H -0.03 0.17 0.11 -0.55 8.53 8.23 2dw5A1 ASN 607 HA -0.01 0.04 0.33 -0.75 4.76 4.36 2dw5A1 ASN 607 HB2 -0.05 -0.02 -0.26 -0.04 2.88 2.50 2dw5A1 ASN 607 HB3 -0.03 0.07 0.26 -0.04 2.79 3.05 2dw5A1 ASN 607 HD21 0.01 0.01 0.02 -0.04 7.03 7.03 2dw5A1 ASN 607 HD22 -0.00 0.01 0.01 -0.04 7.74 7.72 2dw5A1 GLY 608 H -0.03 0.05 -0.36 -0.55 8.43 7.54 2dw5A1 GLY 608 HA2 -0.02 -0.03 0.20 -0.51 4.01 3.65 2dw5A1 GLY 608 HA3 -0.02 0.11 0.23 -0.51 4.01 3.82 2dw5A1 ARG 609 H -0.06 0.51 -0.57 -0.55 8.46 7.79 2dw5A1 ARG 609 HA -0.07 0.13 0.83 -0.75 4.34 4.48 2dw5A1 ARG 609 HB2 -0.05 0.10 -0.16 -0.04 1.90 1.75 2dw5A1 ARG 609 HB3 -0.08 -0.01 -0.14 -0.04 1.80 1.54 2dw5A1 ARG 609 HG2 -0.10 -0.15 0.14 -0.04 1.67 1.52 2dw5A1 ARG 609 HG3 -0.05 0.06 0.02 -0.04 1.67 1.67 2dw5A1 ARG 609 HD2 -0.11 -0.00 -0.06 -0.04 3.22 3.00 2dw5A1 ARG 609 HD3 -0.07 -0.00 -0.04 -0.04 3.22 3.07 2dw5A1 CYS 610 H -0.12 0.16 0.07 -0.55 8.50 8.07 2dw5A1 CYS 610 HA -0.13 0.25 0.32 -0.75 4.58 4.27 2dw5A1 CYS 610 HB2 -0.17 0.14 0.10 -0.04 2.97 3.00 2dw5A1 CYS 610 HB3 -0.25 0.04 0.18 -0.04 2.97 2.90 2dw5A1 CYS 611 H -0.12 0.59 0.26 -0.55 8.50 8.68 2dw5A1 CYS 611 HA -0.09 0.14 0.42 -0.75 4.58 4.30 2dw5A1 CYS 611 HB2 -0.03 0.03 0.05 -0.04 2.97 2.98 2dw5A1 CYS 611 HB3 -0.10 0.07 0.13 -0.04 2.97 3.03 2dw5A1 LEU 612 H -0.12 0.03 -0.12 -0.55 8.37 7.61 2dw5A1 LEU 612 HA -0.06 0.15 0.54 -0.75 4.35 4.22 2dw5A1 LEU 612 HB2 -0.25 -0.16 0.08 -0.04 1.64 1.28 2dw5A1 LEU 612 HB3 -0.17 0.14 -0.02 -0.04 1.64 1.55 2dw5A1 LEU 612 HG -0.04 -0.07 0.03 -0.04 1.64 1.53 2dw5A1 LEU 612 HD13 -0.78 -0.00 -0.03 -0.04 0.93 0.08 2dw5A1 LEU 612 HD23 -0.11 0.05 -0.02 -0.04 0.89 0.76 2dw5A1 GLU 613 H -0.29 -0.02 -0.23 -0.55 8.60 7.52 2dw5A1 GLU 613 HA -0.56 0.09 0.32 -0.75 4.29 3.39 2dw5A1 GLU 613 HB2 -0.39 0.11 0.11 -0.04 2.09 1.88 2dw5A1 GLU 613 HB3 -0.73 0.08 -0.02 -0.04 1.99 1.28 2dw5A1 GLU 613 HG2 -1.88 0.09 0.02 -0.04 2.34 0.53 2dw5A1 GLU 613 HG3 -0.60 -0.18 0.08 -0.04 2.34 1.60 2dw5A1 GLU 614 H -0.14 0.44 -0.20 -0.55 8.60 8.15 2dw5A1 GLU 614 HA -0.03 0.05 0.41 -0.75 4.29 3.96 2dw5A1 GLU 614 HB2 -0.07 0.02 0.03 -0.04 2.09 2.03 2dw5A1 GLU 614 HB3 -0.06 0.02 0.09 -0.04 1.99 2.00 2dw5A1 GLU 614 HG2 -0.02 0.02 -0.22 -0.04 2.34 2.07 2dw5A1 GLU 614 HG3 -0.02 -0.02 0.02 -0.04 2.34 2.28 2dw5A1 LYS 615 H -0.04 0.55 -0.20 -0.55 8.42 8.18 2dw5A1 LYS 615 HA 0.00 0.03 0.46 -0.75 4.32 4.05 2dw5A1 LYS 615 HB2 -0.01 0.01 0.16 -0.04 1.87 2.00 2dw5A1 LYS 615 HB3 -0.01 0.04 0.20 -0.04 1.79 1.99 2dw5A1 LYS 615 HG2 0.00 -0.07 -0.00 -0.04 1.46 1.35 2dw5A1 LYS 615 HG3 0.02 0.05 -0.14 -0.04 1.46 1.35 2dw5A1 LYS 615 HD2 0.01 0.01 0.06 -0.04 1.69 1.74 2dw5A1 LYS 615 HD3 0.01 -0.04 0.02 -0.04 1.68 1.63 2dw5A1 LYS 615 HE2 0.02 0.06 -0.02 -0.04 2.99 3.00 2dw5A1 LYS 615 HE3 0.01 -0.00 -0.02 -0.04 2.99 2.94 2dw5A1 VAL 616 H 0.02 0.55 -0.09 -0.55 8.24 8.17 2dw5A1 VAL 616 HA 0.07 0.06 0.35 -0.75 4.13 3.85 2dw5A1 VAL 616 HB 0.21 0.04 0.12 -0.04 2.12 2.44 2dw5A1 VAL 616 HG13 0.19 0.00 -0.23 -0.04 0.97 0.90 2dw5A1 VAL 616 HG23 0.12 0.00 -0.02 -0.04 0.95 1.01 2dw5A1 CYS 617 H 0.10 0.53 -0.16 -0.55 8.50 8.42 2dw5A1 CYS 617 HA 0.09 0.00 0.42 -0.75 4.58 4.35 2dw5A1 CYS 617 HB2 0.06 0.10 0.18 -0.04 2.97 3.26 2dw5A1 CYS 617 HB3 0.06 -0.02 0.03 -0.04 2.97 3.00 2dw5A1 SER 618 H 0.03 0.57 -0.13 -0.55 8.46 8.38 2dw5A1 SER 618 HA 0.02 0.00 0.46 -0.75 4.49 4.22 2dw5A1 SER 618 HB2 0.01 -0.08 0.11 -0.04 3.95 3.95 2dw5A1 SER 618 HB3 0.01 0.10 0.16 -0.04 3.93 4.16 2dw5A1 LEU 619 H 0.04 0.31 -0.51 -0.55 8.37 7.66 2dw5A1 LEU 619 HA 0.02 0.07 0.63 -0.75 4.35 4.31 2dw5A1 LEU 619 HB2 0.04 0.11 0.14 -0.04 1.64 1.89 2dw5A1 LEU 619 HB3 0.03 -0.04 -0.02 -0.04 1.64 1.56 2dw5A1 LEU 619 HG 0.02 0.11 -0.02 -0.04 1.64 1.71 2dw5A1 LEU 619 HD13 0.03 -0.04 -0.03 -0.04 0.93 0.86 2dw5A1 LEU 619 HD23 0.02 -0.03 -0.01 -0.04 0.89 0.83 2dw5A1 LEU 620 H 0.04 0.32 0.05 -0.55 8.37 8.23 2dw5A1 LEU 620 HA 0.02 0.18 0.61 -0.75 4.35 4.40 2dw5A1 LEU 620 HB2 0.03 -0.01 -0.04 -0.04 1.64 1.58 2dw5A1 LEU 620 HB3 0.02 0.00 -0.06 -0.04 1.64 1.56 2dw5A1 LEU 620 HG 0.05 0.10 -0.05 -0.04 1.64 1.70 2dw5A1 LEU 620 HD13 0.03 -0.02 -0.17 -0.04 0.93 0.73 2dw5A1 LEU 620 HD23 0.03 0.02 -0.25 -0.04 0.89 0.65 2dw5A1 GLU 621 H 0.03 0.54 0.13 -0.55 8.60 8.75 2dw5A1 GLU 621 HA 0.01 0.21 0.59 -0.75 4.29 4.34 2dw5A1 GLU 621 HB2 0.02 0.19 0.17 -0.04 2.09 2.42 2dw5A1 GLU 621 HB3 0.01 -0.08 0.01 -0.04 1.99 1.89 2dw5A1 GLU 621 HG2 0.02 0.07 0.14 -0.04 2.34 2.53 2dw5A1 GLU 621 HG3 0.03 -0.07 0.17 -0.04 2.34 2.43 2dw5A1 PRO 622 HA 0.00 0.03 0.48 -0.51 4.44 4.45 2dw5A1 PRO 622 HB2 0.00 0.09 -0.11 -0.04 2.28 2.23 2dw5A1 PRO 622 HB3 0.00 -0.04 0.06 -0.04 2.02 2.00 2dw5A1 PRO 622 HG2 0.01 0.22 0.03 -0.04 2.03 2.25 2dw5A1 PRO 622 HG3 0.01 -0.07 0.03 -0.04 2.03 1.96 2dw5A1 PRO 622 HD2 0.01 0.10 -0.65 -0.04 3.68 3.11 2dw5A1 PRO 622 HD3 0.02 0.09 0.01 -0.04 3.65 3.73 2dw5A1 LEU 623 H 0.01 0.27 -0.58 -0.55 8.37 7.52 2dw5A1 LEU 623 HA -0.00 0.06 0.70 -0.75 4.35 4.36 2dw5A1 LEU 623 HB2 0.01 0.16 0.04 -0.04 1.64 1.81 2dw5A1 LEU 623 HB3 0.01 0.00 0.13 -0.04 1.64 1.74 2dw5A1 LEU 623 HG 0.01 0.05 -0.03 -0.04 1.64 1.62 2dw5A1 LEU 623 HD13 0.02 -0.01 -0.08 -0.04 0.93 0.82 2dw5A1 LEU 623 HD23 -0.00 -0.02 -0.10 -0.04 0.89 0.72 2dw5A1 GLY 624 H -0.00 0.56 -0.23 -0.55 8.43 8.22 2dw5A1 GLY 624 HA2 -0.01 -0.00 0.31 -0.51 4.01 3.80 2dw5A1 GLY 624 HA3 -0.02 0.03 0.49 -0.51 4.01 4.00 2dw5A1 LEU 625 H -0.01 0.24 0.07 -0.55 8.37 8.13 2dw5A1 LEU 625 HA -0.05 0.27 0.89 -0.75 4.35 4.70 2dw5A1 LEU 625 HB2 -0.00 0.02 -0.09 -0.04 1.64 1.53 2dw5A1 LEU 625 HB3 -0.02 -0.06 -0.16 -0.04 1.64 1.36 2dw5A1 LEU 625 HG 0.01 -0.09 -0.11 -0.04 1.64 1.40 2dw5A1 LEU 625 HD13 -0.01 0.04 -0.10 -0.04 0.93 0.82 2dw5A1 LEU 625 HD23 0.01 0.01 -0.11 -0.04 0.89 0.76 2dw5A1 GLN 626 H -0.06 0.96 0.36 -0.55 8.47 9.19 2dw5A1 GLN 626 HA -0.00 0.06 0.82 -0.75 4.36 4.48 2dw5A1 GLN 626 HB2 -0.02 0.08 -0.00 -0.04 2.15 2.16 2dw5A1 GLN 626 HB3 0.09 -0.06 0.17 -0.04 2.02 2.18 2dw5A1 GLN 626 HG2 0.05 -0.03 -0.18 -0.04 2.40 2.19 2dw5A1 GLN 626 HG3 0.03 -0.01 -0.01 -0.04 2.39 2.36 2dw5A1 GLN 626 HE21 0.09 -0.01 -0.04 -0.04 6.97 6.97 2dw5A1 GLN 626 HE22 0.05 -0.01 -0.04 -0.04 7.69 7.64 2dw5A1 CYS 627 H -0.02 0.17 0.10 -0.55 8.50 8.20 2dw5A1 CYS 627 HA -0.20 0.19 0.74 -0.75 4.58 4.55 2dw5A1 CYS 627 HB2 -0.03 -0.05 0.10 -0.04 2.97 2.96 2dw5A1 CYS 627 HB3 -0.57 -0.03 -0.11 -0.04 2.97 2.23 2dw5A1 THR 628 H -0.24 0.73 0.32 -0.55 8.28 8.54 2dw5A1 THR 628 HA -0.11 0.11 0.88 -0.75 4.39 4.52 2dw5A1 THR 628 HB -0.13 -0.00 0.10 -0.04 4.32 4.26 2dw5A1 THR 628 HG23 -0.04 -0.01 -0.11 -0.04 1.22 1.02 2dw5A1 PHE 629 H 0.08 0.16 0.07 -0.55 8.34 8.10 2dw5A1 PHE 629 HA -0.02 0.48 0.78 -0.75 4.62 5.11 2dw5A1 PHE 629 HB2 -0.07 -0.04 0.12 -0.04 3.15 3.12 2dw5A1 PHE 629 HB3 -0.09 -0.11 -0.06 -0.04 3.06 2.76 2dw5A1 PHE 629 HD2 -0.03 0.10 -0.19 -0.04 7.28 7.12 2dw5A1 PHE 629 HE2 -0.01 0.06 -0.11 -0.04 7.38 7.28 2dw5A1 PHE 629 HZ -0.01 0.05 -0.07 -0.04 7.32 7.25 2dw5A1 ILE 630 H 0.05 0.76 0.25 -0.55 8.25 8.76 2dw5A1 ILE 630 HA 0.04 0.15 0.82 -0.75 4.18 4.44 2dw5A1 ILE 630 HB -0.03 -0.04 -0.10 -0.04 1.89 1.69 2dw5A1 ILE 630 HG12 -0.10 0.02 -0.23 -0.04 1.49 1.14 2dw5A1 ILE 630 HG13 -0.09 0.09 -0.27 -0.04 1.21 0.90 2dw5A1 ILE 630 HG23 -0.12 0.02 -0.18 -0.04 0.93 0.60 2dw5A1 ILE 630 HD13 -0.22 0.02 -0.16 -0.04 0.88 0.48 2dw5A1 ASN 631 H 0.14 0.23 0.13 -0.55 8.53 8.48 2dw5A1 ASN 631 HA 0.35 0.03 0.59 -0.75 4.76 4.98 2dw5A1 ASN 631 HB2 0.29 0.09 0.13 -0.04 2.88 3.35 2dw5A1 ASN 631 HB3 0.25 0.03 0.18 -0.04 2.79 3.21 2dw5A1 ASN 631 HD21 0.24 0.01 -0.01 -0.04 7.03 7.23 2dw5A1 ASN 631 HD22 0.29 0.07 0.02 -0.04 7.74 8.08 2dw5A1 ASP 632 H 0.38 0.24 0.27 -0.55 8.40 8.75 2dw5A1 ASP 632 HA 0.47 0.22 0.76 -0.75 4.63 5.34 2dw5A1 ASP 632 HB2 0.29 0.02 0.13 -0.04 2.71 3.11 2dw5A1 ASP 632 HB3 0.32 0.12 -0.09 -0.04 2.70 3.01 2dw5A1 PHE 633 H 0.50 0.14 -0.08 -0.55 8.34 8.36 2dw5A1 PHE 633 HA 0.27 0.10 0.17 -0.75 4.62 4.40 2dw5A1 PHE 633 HB2 0.34 0.02 0.12 -0.04 3.15 3.59 2dw5A1 PHE 633 HB3 0.24 -0.01 0.10 -0.04 3.06 3.35 2dw5A1 PHE 633 HD2 -0.06 0.02 -0.15 -0.04 7.28 7.06 2dw5A1 PHE 633 HE2 -0.07 0.07 -0.02 -0.04 7.38 7.31 2dw5A1 PHE 633 HZ -0.20 0.07 -0.03 -0.04 7.32 7.12 2dw5A1 PHE 634 H 0.49 0.11 -0.04 -0.55 8.34 8.35 2dw5A1 PHE 634 HA 0.13 0.20 0.69 -0.75 4.62 4.88 2dw5A1 PHE 634 HB2 0.16 -0.07 0.10 -0.04 3.15 3.30 2dw5A1 PHE 634 HB3 0.09 0.10 0.21 -0.04 3.06 3.42 2dw5A1 PHE 634 HD2 0.15 -0.03 -0.01 -0.04 7.28 7.35 2dw5A1 PHE 634 HE2 0.03 -0.01 -0.04 -0.04 7.38 7.32 2dw5A1 PHE 634 HZ 0.06 0.21 0.03 -0.04 7.32 7.58 2dw5A1 THR 635 H 0.13 -0.02 -0.63 -0.55 8.28 7.21 2dw5A1 THR 635 HA -0.09 0.22 0.44 -0.75 4.39 4.20 2dw5A1 THR 635 HB 0.13 -0.18 -0.20 -0.04 4.32 4.02 2dw5A1 THR 635 HG23 -0.76 0.01 -0.26 -0.04 1.22 0.17 2dw5A1 TYR 636 H 0.24 0.31 0.09 -0.55 8.29 8.37 2dw5A1 TYR 636 HA 0.05 0.22 0.82 -0.75 4.56 4.89 2dw5A1 TYR 636 HB2 0.14 -0.03 0.21 -0.04 3.06 3.34 2dw5A1 TYR 636 HB3 0.28 0.07 -0.30 -0.04 2.98 3.00 2dw5A1 TYR 636 HD2 -0.20 -0.07 -0.11 -0.04 7.15 6.73 2dw5A1 TYR 636 HE2 -0.88 0.05 -0.01 -0.04 6.85 5.97 2dw5A1 HIS 637 H 0.27 0.49 0.34 -0.55 8.41 8.96 2dw5A1 HIS 637 HA 0.06 0.18 0.32 -0.75 4.63 4.44 2dw5A1 HIS 637 HB2 -0.00 -0.09 0.09 -0.04 3.26 3.21 2dw5A1 HIS 637 HB3 -0.44 0.09 0.27 -0.04 3.20 3.08 2dw5A1 HIS 637 HD2 -1.67 -0.01 -0.06 -0.04 6.97 5.18 2dw5A1 HIS 637 HE1 -0.06 0.07 -0.50 -0.04 7.75 7.21 2dw5A1 ILE 638 H -0.21 0.26 -0.07 -0.55 8.25 7.68 2dw5A1 ILE 638 HA -0.40 0.08 0.38 -0.75 4.18 3.49 2dw5A1 ILE 638 HB -0.23 0.01 0.08 -0.04 1.89 1.71 2dw5A1 ILE 638 HG12 -0.18 -0.08 -0.06 -0.04 1.49 1.12 2dw5A1 ILE 638 HG13 -0.10 0.09 -0.30 -0.04 1.21 0.86 2dw5A1 ILE 638 HG23 -0.73 0.06 0.05 -0.04 0.93 0.26 2dw5A1 ILE 638 HD13 -0.18 0.01 -0.07 -0.04 0.88 0.60 2dw5A1 ARG 639 H 0.06 0.28 -0.52 -0.55 8.46 7.74 2dw5A1 ARG 639 HA 0.02 0.16 0.83 -0.75 4.34 4.60 2dw5A1 ARG 639 HB2 0.26 0.11 0.06 -0.04 1.90 2.28 2dw5A1 ARG 639 HB3 0.31 -0.04 0.18 -0.04 1.80 2.21 2dw5A1 ARG 639 HG2 0.01 -0.02 0.01 -0.04 1.67 1.63 2dw5A1 ARG 639 HG3 -0.01 -0.02 -0.26 -0.04 1.67 1.34 2dw5A1 ARG 639 HD2 -0.05 -0.06 -0.11 -0.04 3.22 2.96 2dw5A1 ARG 639 HD3 -0.09 0.24 -0.04 -0.04 3.22 3.29 2dw5A1 HIS 640 H 0.11 0.46 -0.23 -0.55 8.41 8.20 2dw5A1 HIS 640 HA -0.15 0.02 0.31 -0.75 4.63 4.05 2dw5A1 HIS 640 HB2 -0.21 0.24 -0.16 -0.04 3.26 3.09 2dw5A1 HIS 640 HB3 -0.20 -0.12 0.17 -0.04 3.20 3.01 2dw5A1 HIS 640 HD2 -0.10 -0.03 -0.05 -0.04 6.97 6.75 2dw5A1 HIS 640 HE1 -0.10 0.03 0.01 -0.04 7.75 7.64 2dw5A1 GLY 641 H 0.20 0.43 -0.11 -0.55 8.43 8.40 2dw5A1 GLY 641 HA2 -0.01 0.06 0.58 -0.51 4.01 4.14 2dw5A1 GLY 641 HA3 -0.20 0.06 0.21 -0.51 4.01 3.57 2dw5A1 GLU 642 H 0.34 0.12 0.10 -0.55 8.60 8.61 2dw5A1 GLU 642 HA 0.30 0.10 0.69 -0.75 4.29 4.63 2dw5A1 GLU 642 HB2 0.18 -0.01 0.05 -0.04 2.09 2.27 2dw5A1 GLU 642 HB3 0.18 0.11 0.24 -0.04 1.99 2.49 2dw5A1 GLU 642 HG2 0.14 0.09 0.06 -0.04 2.34 2.60 2dw5A1 GLU 642 HG3 0.16 0.03 -0.03 -0.04 2.34 2.46 2dw5A1 VAL 643 H 0.17 0.27 0.19 -0.55 8.24 8.32 2dw5A1 VAL 643 HA 0.17 0.03 0.29 -0.75 4.13 3.87 2dw5A1 VAL 643 HB 0.10 0.20 0.21 -0.04 2.12 2.59 2dw5A1 VAL 643 HG13 -0.03 0.02 -0.16 -0.04 0.97 0.77 2dw5A1 VAL 643 HG23 0.09 -0.04 -0.11 -0.04 0.95 0.85 2dw5A1 HIS 644 H 0.24 0.45 -0.10 -0.55 8.41 8.47 2dw5A1 HIS 644 HA 0.11 0.14 0.32 -0.75 4.63 4.44 2dw5A1 HIS 644 HB2 0.09 0.03 -0.45 -0.04 3.26 2.90 2dw5A1 HIS 644 HB3 0.11 -0.14 -0.08 -0.04 3.20 3.06 2dw5A1 HIS 644 HD2 0.08 0.20 0.12 -0.04 6.97 7.32 2dw5A1 HIS 644 HE1 0.09 0.07 0.07 -0.04 7.75 7.94 2dw5A1 CYS 645 H 0.30 -0.04 -0.32 -0.55 8.50 7.89 2dw5A1 CYS 645 HA 0.28 0.10 0.37 -0.75 4.58 4.57 2dw5A1 CYS 645 HB2 0.63 0.10 0.00 -0.04 2.97 3.66 2dw5A1 CYS 645 HB3 0.29 0.01 0.04 -0.04 2.97 3.27 2dw5A1 GLY 646 H 0.24 0.27 -0.34 -0.55 8.43 8.06 2dw5A1 GLY 646 HA2 0.22 0.11 0.78 -0.51 4.01 4.61 2dw5A1 GLY 646 HA3 0.00 -0.05 0.35 -0.51 4.01 3.79 2dw5A1 THR 647 H 0.11 0.48 -0.25 -0.55 8.28 8.07 2dw5A1 THR 647 HA 0.12 0.30 1.11 -0.75 4.39 5.16 2dw5A1 THR 647 HB 0.08 0.02 0.16 -0.04 4.32 4.53 2dw5A1 THR 647 HG23 0.13 -0.04 -0.14 -0.04 1.22 1.13 2dw5A1 ASN 648 H 0.17 0.41 0.37 -0.55 8.53 8.94 2dw5A1 ASN 648 HA 0.05 0.16 0.52 -0.75 4.76 4.73 2dw5A1 ASN 648 HB2 0.08 0.05 -0.37 -0.04 2.88 2.60 2dw5A1 ASN 648 HB3 0.10 -0.07 -0.08 -0.04 2.79 2.70 2dw5A1 ASN 648 HD21 0.11 0.35 0.22 -0.04 7.03 7.67 2dw5A1 ASN 648 HD22 0.06 0.19 0.15 -0.04 7.74 8.10 2dw5A1 VAL 649 H 0.17 0.27 0.20 -0.55 8.24 8.33 2dw5A1 VAL 649 HA 0.23 0.31 1.15 -0.75 4.13 5.07 2dw5A1 VAL 649 HB 0.10 0.03 0.08 -0.04 2.12 2.29 2dw5A1 VAL 649 HG13 0.07 0.03 -0.11 -0.04 0.97 0.92 2dw5A1 VAL 649 HG23 0.08 -0.02 -0.21 -0.04 0.95 0.75 2dw5A1 ARG 650 H 0.27 0.53 0.35 -0.55 8.46 9.05 2dw5A1 ARG 650 HA 0.18 0.20 0.94 -0.75 4.34 4.91 2dw5A1 ARG 650 HB2 0.42 -0.03 0.07 -0.04 1.90 2.32 2dw5A1 ARG 650 HB3 0.23 -0.07 0.16 -0.04 1.80 2.07 2dw5A1 ARG 650 HG2 0.06 -0.01 -0.28 -0.04 1.67 1.40 2dw5A1 ARG 650 HG3 0.08 0.10 0.00 -0.04 1.67 1.82 2dw5A1 ARG 650 HD2 -0.10 0.04 -0.03 -0.04 3.22 3.08 2dw5A1 ARG 650 HD3 0.19 -0.03 -0.04 -0.04 3.22 3.31 2dw5A1 ARG 651 H 0.04 0.28 0.14 -0.55 8.46 8.37 2dw5A1 ARG 651 HA -0.01 0.10 0.92 -0.75 4.34 4.59 2dw5A1 ARG 651 HB2 -0.05 -0.03 -0.16 -0.04 1.90 1.62 2dw5A1 ARG 651 HB3 -0.07 0.09 -0.27 -0.04 1.80 1.51 2dw5A1 ARG 651 HG2 0.02 -0.07 -0.30 -0.04 1.67 1.28 2dw5A1 ARG 651 HG3 0.05 -0.10 -0.43 -0.04 1.67 1.15 2dw5A1 ARG 651 HD2 0.01 0.03 -0.20 -0.04 3.22 3.02 2dw5A1 ARG 651 HD3 -0.03 0.20 -0.10 -0.04 3.22 3.25 2dw5A1 LYS 652 H -0.09 0.60 0.07 -0.55 8.42 8.44 2dw5A1 LYS 652 HA -0.14 0.03 0.28 -0.75 4.32 3.75 2dw5A1 LYS 652 HB2 -0.08 0.00 0.05 -0.04 1.87 1.81 2dw5A1 LYS 652 HB3 -0.12 -0.04 0.11 -0.04 1.79 1.70 2dw5A1 LYS 652 HG2 -0.13 0.15 -0.14 -0.04 1.46 1.30 2dw5A1 LYS 652 HG3 -0.12 -0.01 0.01 -0.04 1.46 1.30 2dw5A1 LYS 652 HD2 -0.05 -0.00 -0.01 -0.04 1.69 1.59 2dw5A1 LYS 652 HD3 -0.06 -0.05 -0.00 -0.04 1.68 1.53 2dw5A1 LYS 652 HE2 -0.05 -0.00 -0.03 -0.04 2.99 2.87 2dw5A1 LYS 652 HE3 -0.06 0.01 -0.02 -0.04 2.99 2.88 2dw5A1 PRO 653 HA -0.72 0.05 0.38 -0.51 4.44 3.64 2dw5A1 PRO 653 HB2 -0.52 0.04 -0.12 -0.04 2.28 1.65 2dw5A1 PRO 653 HB3 -2.17 -0.01 -0.01 -0.04 2.02 -0.21 2dw5A1 PRO 653 HG2 -0.33 -0.02 -0.04 -0.04 2.03 1.60 2dw5A1 PRO 653 HG3 -0.51 0.07 -0.03 -0.04 2.03 1.52 2dw5A1 PRO 653 HD2 -0.21 0.04 0.11 -0.04 3.68 3.58 2dw5A1 PRO 653 HD3 -0.20 0.16 0.17 -0.04 3.65 3.74 2dw5A1 PHE 654 H 0.02 0.09 0.10 -0.55 8.34 8.00 2dw5A1 PHE 654 HA -0.03 0.06 0.41 -0.75 4.62 4.31 2dw5A1 PHE 654 HB2 0.15 0.05 0.08 -0.04 3.15 3.39 2dw5A1 PHE 654 HB3 0.08 -0.17 0.08 -0.04 3.06 3.02 2dw5A1 PHE 654 HD2 0.10 -0.07 0.09 -0.04 7.28 7.36 2dw5A1 PHE 654 HE2 -0.03 0.11 0.07 -0.04 7.38 7.49 2dw5A1 PHE 654 HZ -0.08 0.03 -0.08 -0.04 7.32 7.15 2dw5A1 SER 655 H 0.15 0.10 0.17 -0.55 8.46 8.33 2dw5A1 SER 655 HA 0.02 0.15 0.59 -0.75 4.49 4.50 2dw5A1 SER 655 HB2 0.08 -0.04 0.08 -0.04 3.95 4.03 2dw5A1 SER 655 HB3 0.02 -0.04 0.01 -0.04 3.93 3.89 2dw5A1 PHE 656 H 0.27 0.02 -0.10 -0.55 8.34 7.98 2dw5A1 PHE 656 HA -0.09 0.02 0.47 -0.75 4.62 4.26 2dw5A1 PHE 656 HB2 -0.04 -0.02 0.05 -0.04 3.15 3.10 2dw5A1 PHE 656 HB3 -0.08 0.06 -0.02 -0.04 3.06 2.97 2dw5A1 PHE 656 HD2 -0.09 -0.04 -0.39 -0.04 7.28 6.73 2dw5A1 PHE 656 HE2 -0.06 -0.02 -0.18 -0.04 7.38 7.08 2dw5A1 PHE 656 HZ -0.06 0.14 -0.35 -0.04 7.32 7.01 2dw5A1 LYS 657 H -0.90 0.09 0.11 -0.55 8.42 7.16 2dw5A1 LYS 657 HA -0.57 0.18 0.44 -0.75 4.32 3.61 2dw5A1 LYS 657 HB2 -1.31 -0.06 0.13 -0.04 1.87 0.59 2dw5A1 LYS 657 HB3 -3.14 -0.05 -0.02 -0.04 1.79 -1.45 2dw5A1 LYS 657 HG2 -0.45 0.02 0.06 -0.04 1.46 1.05 2dw5A1 LYS 657 HG3 -0.37 0.03 0.01 -0.04 1.46 1.08 2dw5A1 LYS 657 HD2 -0.47 -0.06 -0.12 -0.04 1.69 0.99 2dw5A1 LYS 657 HD3 -0.31 0.13 -0.32 -0.04 1.68 1.14 2dw5A1 LYS 657 HE2 -0.05 -0.05 -0.01 -0.04 2.99 2.84 2dw5A1 LYS 657 HE3 0.07 -0.03 -0.08 -0.04 2.99 2.92 2dw5A1 TRP 658 H -0.18 0.23 0.13 -0.55 7.97 7.61 2dw5A1 TRP 658 HA 0.18 0.08 0.08 -0.75 4.62 4.21 2dw5A1 TRP 658 HB2 0.20 0.01 0.06 -0.04 3.23 3.45 2dw5A1 TRP 658 HB3 0.10 0.08 0.10 -0.04 3.23 3.46 2dw5A1 TRP 658 HD1 0.15 0.02 0.09 -0.04 7.22 7.43 2dw5A1 TRP 658 HE1 0.46 0.59 0.24 -0.04 10.20 11.45 2dw5A1 TRP 658 HE3 0.61 -0.03 -0.33 -0.04 7.59 7.80 2dw5A1 TRP 658 HZ2 0.24 -0.02 0.05 -0.04 7.44 7.66 2dw5A1 TRP 658 HZ3 -0.50 -0.00 -0.05 -0.04 7.13 6.54 2dw5A1 TRP 658 HH2 -0.20 0.03 -0.14 -0.04 7.19 6.85 2dw5A1 TRP 659 H -1.51 0.05 -0.34 -0.55 7.97 5.63 2dw5A1 TRP 659 HA -0.11 0.12 0.47 -0.75 4.62 4.35 2dw5A1 TRP 659 HB2 -0.44 0.07 0.03 -0.04 3.23 2.85 2dw5A1 TRP 659 HB3 -1.79 0.00 0.04 -0.04 3.23 1.43 2dw5A1 TRP 659 HD1 -0.33 0.07 -0.41 -0.04 7.22 6.51 2dw5A1 TRP 659 HE1 -0.24 0.07 -0.05 -0.04 10.20 9.93 2dw5A1 TRP 659 HE3 -1.52 0.04 0.01 -0.04 7.59 6.08 2dw5A1 TRP 659 HZ2 -0.14 0.11 0.01 -0.04 7.44 7.38 2dw5A1 TRP 659 HZ3 0.05 0.10 -0.27 -0.04 7.13 6.97 2dw5A1 TRP 659 HH2 -0.04 0.01 -0.25 -0.04 7.19 6.86 2dw5A1 ASN 660 H -0.69 0.44 -0.27 -0.55 8.53 7.46 2dw5A1 ASN 660 HA 0.05 0.00 0.64 -0.75 4.76 4.70 2dw5A1 ASN 660 HB2 -0.89 0.14 0.06 -0.04 2.88 2.14 2dw5A1 ASN 660 HB3 -0.31 -0.07 0.12 -0.04 2.79 2.49 2dw5A1 ASN 660 HD21 -0.18 0.05 0.02 -0.04 7.03 6.88 2dw5A1 ASN 660 HD22 -0.61 -0.07 0.06 -0.04 7.74 7.08 2dw5A1 MET 661 H 0.38 0.36 -0.36 -0.55 8.47 8.31 2dw5A1 MET 661 HA 0.25 0.04 0.66 -0.75 4.52 4.72 2dw5A1 MET 661 HB2 0.36 -0.03 0.06 -0.04 2.15 2.51 2dw5A1 MET 661 HB3 0.34 0.10 0.07 -0.04 2.03 2.50 2dw5A1 MET 661 HG2 -0.09 -0.06 -0.22 -0.04 2.63 2.22 2dw5A1 MET 661 HG3 -0.07 -0.02 0.02 -0.04 2.56 2.44 2dw5A1 MET 661 HE3 -0.12 0.06 0.03 -0.04 2.10 2.03 2dw5A1 VAL 662 H 0.02 0.18 0.01 -0.55 8.24 7.90 2dw5A1 VAL 662 HA -0.01 0.20 0.61 -0.75 4.13 4.17 2dw5A1 VAL 662 HB -0.02 -0.02 0.20 -0.04 2.12 2.24 2dw5A1 VAL 662 HG13 0.02 -0.02 -0.03 -0.04 0.97 0.90 2dw5A1 VAL 662 HG23 0.12 0.02 -0.22 -0.04 0.95 0.83 2dw5A1 PRO 663 HA -0.26 0.16 0.16 -0.51 4.44 3.98 2dw5A1 PRO 663 HB2 -0.51 -0.00 0.03 -0.04 2.28 1.75 2dw5A1 PRO 663 HB3 -0.32 0.12 -0.04 -0.04 2.02 1.74 2dw5A1 PRO 663 HG2 -1.74 0.03 -0.02 -0.04 2.03 0.26 2dw5A1 PRO 663 HG3 -0.62 0.06 -0.09 -0.04 2.03 1.34 2dw5A1 PRO 663 HD2 -1.72 0.07 0.02 -0.04 3.68 2.01 2dw5A1 PRO 663 HD3 -0.70 0.26 -0.38 -0.04 3.65 2.79