============================================================================= 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 1 0.900 5.543 49.778 -21.110 -99.200 -91.000 PHE 3 1.000 11.940 51.155 -24.777 -99.200 -91.000 TYR 24 0.840 26.886 52.461 -34.312 -99.200 -91.000 TYR 42 0.840 25.272 37.642 -7.279 -99.200 -91.000 HIS 48 0.900 31.451 37.815 7.382 -99.200 -91.000 TYR 51 0.840 36.785 42.958 -4.707 -99.200 -91.000 TYR 58 0.840 39.804 32.946 -12.172 -99.200 -91.000 TYR 78 0.840 43.233 40.722 -8.523 -99.200 -91.000 TYR 89 0.840 45.113 14.376 -2.759 -99.200 -91.000 TYR 95 0.840 52.930 12.809 -6.736 -99.200 -91.000 PHE 97 1.000 51.785 21.363 -11.470 -99.200 -91.000 PHE 101 1.000 48.691 21.349 -19.919 -99.200 -91.000 TRP 105 1.040 58.958 13.565 -12.793 -99.200 -91.000 TRP6 105 1.020 61.056 14.046 -13.869 -99.200 -91.000 TYR 110 0.840 56.849 14.057 -21.625 -99.200 -91.000 TYR 113 0.840 50.390 15.101 -19.007 -99.200 -91.000 TRP 117 1.040 48.542 17.603 -22.507 -99.200 -91.000 TRP6 117 1.020 46.343 17.555 -21.627 -99.200 -91.000 TRP 133 1.040 28.200 24.025 -39.392 -99.200 -91.000 TRP6 133 1.020 28.025 25.716 -37.744 -99.200 -91.000 HIS 137 0.900 38.791 13.667 -40.517 -99.200 -91.000 TRP 141 1.040 37.118 13.777 -35.609 -99.200 -91.000 TRP6 141 1.020 38.490 15.667 -36.104 -99.200 -91.000 TRP 155 1.040 48.669 0.987 -23.314 -99.200 -91.000 TRP6 155 1.020 50.509 0.799 -21.754 -99.200 -91.000 PHE 162 1.000 45.964 16.544 -15.939 -99.200 -91.000 TYR 164 0.840 38.510 9.540 -18.694 -99.200 -91.000 PHE 166 1.000 42.396 20.237 -21.203 -99.200 -91.000 HIS 176 0.900 29.190 10.045 -19.012 -99.200 -91.000 TRP 182 1.040 30.808 22.178 -27.904 -99.200 -91.000 TRP6 182 1.020 31.255 21.664 -25.647 -99.200 -91.000 PHE 183 1.000 37.106 19.257 -24.407 -99.200 -91.000 TRP 185 1.040 34.383 25.537 -32.327 -99.200 -91.000 TRP6 185 1.020 33.067 26.460 -30.612 -99.200 -91.000 TYR 186 0.840 34.521 25.613 -24.410 -99.200 -91.000 PHE 197 1.000 44.737 22.567 -17.081 -99.200 -91.000 PHE 208 1.000 37.594 42.120 -15.463 -99.200 -91.000 HIS 231 0.900 10.179 44.493 -15.907 -99.200 -91.000 HIS 235 0.900 3.992 34.521 -23.725 -99.200 -91.000 HIS 250 0.900 0.671 38.013 -17.240 -99.200 -91.000 HIS 252 0.900 1.580 42.567 -23.078 -99.200 -91.000 TYR 253 0.840 8.398 46.263 -21.596 -99.200 -91.000 TYR 257 0.840 15.853 45.439 -36.504 -99.200 -91.000 HIS 271 0.900 5.342 29.892 -24.042 -99.200 -91.000 PHE 272 1.000 11.761 32.957 -29.171 -99.200 -91.000 TYR 298 0.840 36.643 34.660 1.473 -99.200 -91.000 TYR 299 0.840 41.591 28.603 4.878 -99.200 -91.000 PHE 303 1.000 46.286 27.140 4.837 -99.200 -91.000 TRP 304 1.040 47.592 29.808 -0.339 -99.200 -91.000 TRP6 304 1.020 45.721 30.267 1.060 -99.200 -91.000 TYR 309 0.840 52.313 23.082 -1.176 -99.200 -91.000 PHE 341 1.000 35.707 26.974 -10.845 -99.200 -91.000 HIS 354 0.900 21.631 19.634 5.352 -99.200 -91.000 TYR 366 0.840 40.396 23.681 -0.448 -99.200 -91.000 HIS 377 0.900 41.543 25.200 12.877 -99.200 -91.000 HIS 380 0.900 32.138 34.396 4.922 -99.200 -91.000 TYR 381 0.840 31.803 27.115 1.840 -99.200 -91.000 TRP 386 1.040 27.243 29.999 -10.502 -99.200 -91.000 TRP6 386 1.020 26.121 31.959 -11.121 -99.200 -91.000 TYR 391 0.840 14.855 33.948 -14.063 -99.200 -91.000 TYR 396 0.840 33.662 26.884 -16.127 -99.200 -91.000 TYR 399 0.840 26.549 18.944 -21.436 -99.200 -91.000 PHE 400 1.000 26.650 22.445 -29.755 -99.200 -91.000 TYR 408 0.840 18.601 18.766 -34.190 -99.200 -91.000 PHE 420 1.000 19.243 40.432 -36.383 -99.200 -91.000 PHE 421 1.000 18.097 33.779 -31.996 -99.200 -91.000 TRP 430 1.040 39.474 33.594 -25.586 -99.200 -91.000 TRP6 430 1.020 40.401 32.131 -23.968 -99.200 -91.000 TYR 433 0.840 36.511 30.696 -21.448 -99.200 -91.000 TRP 461 1.040 30.448 38.276 -38.187 -99.200 -91.000 TRP6 461 1.020 30.428 36.828 -36.287 -99.200 -91.000 HIS 477 0.900 52.766 23.565 -27.986 -99.200 -91.000 PHE 479 1.000 63.585 18.087 -31.950 -99.200 -91.000 TRP 480 1.040 63.692 16.985 -26.701 -99.200 -91.000 TRP6 480 1.020 64.399 15.087 -27.933 -99.200 -91.000 PHE 496 1.000 62.590 1.580 -40.422 -99.200 -91.000 PHE 505 1.000 73.769 -10.222 -33.719 -99.200 -91.000 TYR 508 0.840 79.907 -8.023 -36.595 -99.200 -91.000 TYR 510 0.840 74.253 -14.750 -44.479 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2z5xA1 HIS 12 HA 0.61 -0.04 0.17 -0.75 4.63 4.62 2z5xA1 HIS 12 HB2 0.02 -0.05 0.03 -0.04 3.26 3.22 2z5xA1 HIS 12 HB3 0.02 0.03 0.11 -0.04 3.20 3.32 2z5xA1 HIS 12 HD2 0.07 -0.02 0.03 -0.04 6.97 7.01 2z5xA1 HIS 12 HE1 -0.24 -0.10 0.02 -0.04 7.75 7.39 2z5xA1 MET 13 H -0.25 0.22 0.09 -0.55 8.47 7.98 2z5xA1 MET 13 HA 0.09 0.21 0.99 -0.75 4.52 5.06 2z5xA1 MET 13 HB2 -0.03 -0.05 0.00 -0.04 2.15 2.04 2z5xA1 MET 13 HB3 -0.12 -0.03 0.09 -0.04 2.03 1.93 2z5xA1 MET 13 HG2 0.03 -0.01 -0.04 -0.04 2.63 2.56 2z5xA1 MET 13 HG3 -0.01 -0.06 -0.06 -0.04 2.56 2.39 2z5xA1 MET 13 HE3 0.04 -0.02 -0.16 -0.04 2.10 1.92 2z5xA1 PHE 14 H 0.27 0.84 0.31 -0.55 8.34 9.21 2z5xA1 PHE 14 HA 0.04 0.11 0.78 -0.75 4.62 4.79 2z5xA1 PHE 14 HB2 0.03 0.02 -0.23 -0.04 3.15 2.93 2z5xA1 PHE 14 HB3 0.02 -0.01 -0.25 -0.04 3.06 2.78 2z5xA1 PHE 14 HD2 0.04 0.00 -0.33 -0.04 7.28 6.94 2z5xA1 PHE 14 HE2 0.04 0.00 -0.14 -0.04 7.38 7.24 2z5xA1 PHE 14 HZ -0.03 0.03 -0.08 -0.04 7.32 7.20 2z5xA1 ASP 15 H 0.15 0.11 0.18 -0.55 8.40 8.29 2z5xA1 ASP 15 HA 0.13 0.02 0.77 -0.75 4.63 4.79 2z5xA1 ASP 15 HB2 0.11 0.13 0.27 -0.04 2.71 3.17 2z5xA1 ASP 15 HB3 0.15 0.01 0.09 -0.04 2.70 2.91 2z5xA1 VAL 16 H 0.14 0.72 0.26 -0.55 8.24 8.81 2z5xA1 VAL 16 HA 0.15 0.35 1.17 -0.75 4.13 5.05 2z5xA1 VAL 16 HB 0.02 -0.04 -0.01 -0.04 2.12 2.06 2z5xA1 VAL 16 HG13 0.03 -0.02 -0.34 -0.04 0.97 0.60 2z5xA1 VAL 16 HG23 0.05 -0.00 -0.23 -0.04 0.95 0.72 2z5xA1 VAL 17 H 0.07 0.51 0.28 -0.55 8.24 8.55 2z5xA1 VAL 17 HA -0.10 0.23 0.34 -0.75 4.13 3.84 2z5xA1 VAL 17 HB -0.23 0.13 0.16 -0.04 2.12 2.13 2z5xA1 VAL 17 HG13 0.00 0.01 -0.20 -0.04 0.97 0.74 2z5xA1 VAL 17 HG23 -0.07 -0.03 -0.26 -0.04 0.95 0.56 2z5xA1 VAL 18 H -0.13 0.71 0.31 -0.55 8.24 8.58 2z5xA1 VAL 18 HA -0.04 0.25 1.01 -0.75 4.13 4.59 2z5xA1 VAL 18 HB -0.09 -0.05 0.12 -0.04 2.12 2.06 2z5xA1 VAL 18 HG13 -0.04 0.00 -0.14 -0.04 0.97 0.76 2z5xA1 VAL 18 HG23 -0.05 0.01 -0.14 -0.04 0.95 0.73 2z5xA1 ILE 19 H -0.03 0.65 0.35 -0.55 8.25 8.67 2z5xA1 ILE 19 HA -0.07 0.17 0.87 -0.75 4.18 4.39 2z5xA1 ILE 19 HB -0.00 -0.15 0.34 -0.04 1.89 2.04 2z5xA1 ILE 19 HG12 -0.04 0.02 -0.10 -0.04 1.49 1.33 2z5xA1 ILE 19 HG13 -0.03 0.06 -0.17 -0.04 1.21 1.04 2z5xA1 ILE 19 HG23 -0.02 -0.00 -0.03 -0.04 0.93 0.83 2z5xA1 ILE 19 HD13 0.01 0.00 -0.08 -0.04 0.88 0.77 2z5xA1 GLY 20 H -0.07 0.52 0.07 -0.55 8.43 8.40 2z5xA1 GLY 20 HA2 -0.04 -0.09 0.45 -0.51 4.01 3.82 2z5xA1 GLY 20 HA3 -0.01 0.23 0.85 -0.51 4.01 4.57 2z5xA1 GLY 21 H -0.05 0.14 0.05 -0.55 8.43 8.03 2z5xA1 GLY 21 HA2 -0.04 0.23 0.79 -0.51 4.01 4.48 2z5xA1 GLY 21 HA3 -0.05 0.10 0.36 -0.51 4.01 3.91 2z5xA1 GLY 22 H 0.00 0.19 -0.17 -0.55 8.43 7.90 2z5xA1 GLY 22 HA2 0.01 0.07 0.58 -0.51 4.01 4.16 2z5xA1 GLY 22 HA3 0.02 0.09 0.34 -0.51 4.01 3.95 2z5xA1 ILE 23 H 0.02 0.23 0.10 -0.55 8.25 8.05 2z5xA1 ILE 23 HA -0.00 0.14 0.47 -0.75 4.18 4.04 2z5xA1 ILE 23 HB 0.03 -0.04 0.12 -0.04 1.89 1.96 2z5xA1 ILE 23 HG12 -0.00 0.05 -0.01 -0.04 1.49 1.49 2z5xA1 ILE 23 HG13 0.01 -0.03 0.12 -0.04 1.21 1.28 2z5xA1 ILE 23 HG23 0.02 0.03 -0.12 -0.04 0.93 0.82 2z5xA1 ILE 23 HD13 0.03 0.02 0.02 -0.04 0.88 0.91 2z5xA1 SER 24 H 0.03 0.03 -0.27 -0.55 8.46 7.71 2z5xA1 SER 24 HA 0.03 0.24 -0.04 -0.75 4.49 3.97 2z5xA1 SER 24 HB2 0.07 -0.14 0.14 -0.04 3.95 3.97 2z5xA1 SER 24 HB3 0.05 0.10 0.14 -0.04 3.93 4.18 2z5xA1 GLY 25 H 0.01 -0.04 -0.33 -0.55 8.43 7.53 2z5xA1 GLY 25 HA2 -0.01 0.07 0.19 -0.51 4.01 3.75 2z5xA1 GLY 25 HA3 -0.02 0.41 0.26 -0.51 4.01 4.15 2z5xA1 LEU 26 H -0.02 0.47 -0.11 -0.55 8.37 8.17 2z5xA1 LEU 26 HA -0.04 0.08 0.37 -0.75 4.35 4.01 2z5xA1 LEU 26 HB2 -0.02 -0.03 -0.02 -0.04 1.64 1.53 2z5xA1 LEU 26 HB3 -0.03 0.03 -0.11 -0.04 1.64 1.49 2z5xA1 LEU 26 HG -0.03 -0.05 -0.03 -0.04 1.64 1.49 2z5xA1 LEU 26 HD13 -0.02 0.01 -0.09 -0.04 0.93 0.78 2z5xA1 LEU 26 HD23 -0.05 0.02 -0.10 -0.04 0.89 0.72 2z5xA1 SER 27 H -0.01 0.64 -0.20 -0.55 8.46 8.34 2z5xA1 SER 27 HA -0.02 0.03 0.45 -0.75 4.49 4.20 2z5xA1 SER 27 HB2 -0.01 0.10 -0.05 -0.04 3.95 3.96 2z5xA1 SER 27 HB3 -0.01 -0.04 -0.05 -0.04 3.93 3.79 2z5xA1 ALA 28 H -0.02 0.37 -0.44 -0.55 8.40 7.77 2z5xA1 ALA 28 HA -0.05 0.10 0.26 -0.75 4.34 3.89 2z5xA1 ALA 28 HB3 -0.04 0.02 0.11 -0.04 1.41 1.46 2z5xA1 ALA 29 H -0.04 0.60 -0.01 -0.55 8.40 8.41 2z5xA1 ALA 29 HA -0.04 0.01 0.15 -0.75 4.34 3.71 2z5xA1 ALA 29 HB3 -0.05 0.01 0.00 -0.04 1.41 1.33 2z5xA1 LYS 30 H -0.02 0.61 -0.25 -0.55 8.42 8.21 2z5xA1 LYS 30 HA -0.01 0.05 0.31 -0.75 4.32 3.92 2z5xA1 LYS 30 HB2 -0.02 -0.02 0.05 -0.04 1.87 1.85 2z5xA1 LYS 30 HB3 -0.01 0.05 0.10 -0.04 1.79 1.88 2z5xA1 LYS 30 HG2 -0.00 0.00 -0.22 -0.04 1.46 1.20 2z5xA1 LYS 30 HG3 -0.01 0.01 -0.01 -0.04 1.46 1.41 2z5xA1 LYS 30 HD2 -0.02 -0.05 -0.04 -0.04 1.69 1.53 2z5xA1 LYS 30 HD3 -0.02 -0.04 -0.05 -0.04 1.68 1.53 2z5xA1 LYS 30 HE2 -0.02 0.03 -0.05 -0.04 2.99 2.91 2z5xA1 LYS 30 HE3 -0.02 0.01 -0.07 -0.04 2.99 2.87 2z5xA1 LEU 31 H -0.01 0.51 -0.25 -0.55 8.37 8.08 2z5xA1 LEU 31 HA 0.06 -0.00 0.40 -0.75 4.35 4.05 2z5xA1 LEU 31 HB2 -0.01 0.14 0.16 -0.04 1.64 1.88 2z5xA1 LEU 31 HB3 -0.03 0.04 0.01 -0.04 1.64 1.62 2z5xA1 LEU 31 HG 0.01 -0.06 0.02 -0.04 1.64 1.57 2z5xA1 LEU 31 HD13 -0.08 0.01 -0.06 -0.04 0.93 0.77 2z5xA1 LEU 31 HD23 0.19 -0.01 -0.00 -0.04 0.89 1.02 2z5xA1 LEU 32 H -0.01 0.55 -0.23 -0.55 8.37 8.13 2z5xA1 LEU 32 HA -0.01 0.02 0.13 -0.75 4.35 3.73 2z5xA1 LEU 32 HB2 -0.02 0.09 -0.01 -0.04 1.64 1.66 2z5xA1 LEU 32 HB3 -0.01 -0.07 -0.12 -0.04 1.64 1.39 2z5xA1 LEU 32 HG -0.08 0.18 -0.02 -0.04 1.64 1.68 2z5xA1 LEU 32 HD13 -0.06 -0.04 -0.22 -0.04 0.93 0.58 2z5xA1 LEU 32 HD23 -0.16 -0.01 -0.08 -0.04 0.89 0.60 2z5xA1 THR 33 H 0.02 0.46 -0.29 -0.55 8.28 7.93 2z5xA1 THR 33 HA 0.03 0.15 0.37 -0.75 4.39 4.19 2z5xA1 THR 33 HB 0.01 0.12 0.10 -0.04 4.32 4.51 2z5xA1 THR 33 HG23 0.01 -0.01 -0.04 -0.04 1.22 1.13 2z5xA1 GLU 34 H 0.05 0.41 -0.25 -0.55 8.60 8.27 2z5xA1 GLU 34 HA -0.03 0.01 0.44 -0.75 4.29 3.96 2z5xA1 GLU 34 HB2 0.00 0.08 0.04 -0.04 2.09 2.17 2z5xA1 GLU 34 HB3 -0.09 -0.09 0.11 -0.04 1.99 1.88 2z5xA1 GLU 34 HG2 0.00 -0.03 0.07 -0.04 2.34 2.34 2z5xA1 GLU 34 HG3 0.04 0.10 0.19 -0.04 2.34 2.63 2z5xA1 TYR 35 H 0.20 0.40 -0.55 -0.55 8.29 7.79 2z5xA1 TYR 35 HA -0.02 0.08 0.53 -0.75 4.56 4.40 2z5xA1 TYR 35 HB2 -0.04 0.16 0.10 -0.04 3.06 3.24 2z5xA1 TYR 35 HB3 -0.03 -0.07 0.09 -0.04 2.98 2.93 2z5xA1 TYR 35 HD2 -0.03 0.17 -0.02 -0.04 7.15 7.23 2z5xA1 TYR 35 HE2 -0.03 0.01 -0.05 -0.04 6.85 6.74 2z5xA1 GLY 36 H 0.06 0.43 -0.31 -0.55 8.43 8.06 2z5xA1 GLY 36 HA2 0.03 0.03 0.27 -0.51 4.01 3.83 2z5xA1 GLY 36 HA3 0.03 0.05 0.43 -0.51 4.01 4.01 2z5xA1 VAL 37 H 0.07 0.32 -0.17 -0.55 8.24 7.92 2z5xA1 VAL 37 HA 0.05 0.02 0.44 -0.75 4.13 3.89 2z5xA1 VAL 37 HB 0.03 -0.02 -0.13 -0.04 2.12 1.96 2z5xA1 VAL 37 HG13 0.03 0.01 -0.11 -0.04 0.97 0.86 2z5xA1 VAL 37 HG23 0.03 0.01 -0.12 -0.04 0.95 0.82 2z5xA1 SER 38 H 0.08 0.06 0.22 -0.55 8.46 8.27 2z5xA1 SER 38 HA 0.11 0.22 0.86 -0.75 4.49 4.92 2z5xA1 SER 38 HB2 0.27 0.08 0.07 -0.04 3.95 4.33 2z5xA1 SER 38 HB3 0.08 0.09 0.14 -0.04 3.93 4.20 2z5xA1 VAL 39 H 0.11 0.38 0.23 -0.55 8.24 8.41 2z5xA1 VAL 39 HA 0.03 0.32 1.10 -0.75 4.13 4.82 2z5xA1 VAL 39 HB -0.06 -0.00 -0.18 -0.04 2.12 1.84 2z5xA1 VAL 39 HG13 -0.06 -0.03 -0.18 -0.04 0.97 0.66 2z5xA1 VAL 39 HG23 0.00 0.03 -0.23 -0.04 0.95 0.71 2z5xA1 LEU 40 H -0.29 0.54 0.38 -0.55 8.37 8.45 2z5xA1 LEU 40 HA -0.47 0.35 0.96 -0.75 4.35 4.43 2z5xA1 LEU 40 HB2 -2.27 0.04 -0.06 -0.04 1.64 -0.69 2z5xA1 LEU 40 HB3 -0.86 -0.04 0.12 -0.04 1.64 0.82 2z5xA1 LEU 40 HG -0.62 -0.09 -0.44 -0.04 1.64 0.45 2z5xA1 LEU 40 HD13 -0.54 0.04 -0.08 -0.04 0.93 0.31 2z5xA1 LEU 40 HD23 -0.99 -0.01 -0.14 -0.04 0.89 -0.28 2z5xA1 VAL 41 H -0.25 0.76 0.33 -0.55 8.24 8.53 2z5xA1 VAL 41 HA -0.17 0.20 0.99 -0.75 4.13 4.39 2z5xA1 VAL 41 HB -0.13 -0.01 0.13 -0.04 2.12 2.06 2z5xA1 VAL 41 HG13 -0.09 -0.02 -0.35 -0.04 0.97 0.46 2z5xA1 VAL 41 HG23 -0.10 0.02 -0.14 -0.04 0.95 0.69 2z5xA1 LEU 42 H -0.17 0.67 0.25 -0.55 8.37 8.57 2z5xA1 LEU 42 HA -0.24 0.23 0.88 -0.75 4.35 4.46 2z5xA1 LEU 42 HB2 -0.17 -0.02 0.15 -0.04 1.64 1.55 2z5xA1 LEU 42 HB3 -0.15 0.13 0.01 -0.04 1.64 1.59 2z5xA1 LEU 42 HG -0.48 -0.03 -0.41 -0.04 1.64 0.68 2z5xA1 LEU 42 HD13 -0.34 -0.01 -0.18 -0.04 0.93 0.36 2z5xA1 LEU 42 HD23 -0.80 0.02 -0.13 -0.04 0.89 -0.06 2z5xA1 GLU 43 H -0.11 0.98 0.28 -0.55 8.60 9.21 2z5xA1 GLU 43 HA -0.10 -0.07 0.99 -0.75 4.29 4.35 2z5xA1 GLU 43 HB2 -0.08 -0.13 -0.08 -0.04 2.09 1.76 2z5xA1 GLU 43 HB3 -0.08 0.21 -0.02 -0.04 1.99 2.05 2z5xA1 GLU 43 HG2 -0.06 0.09 -0.14 -0.04 2.34 2.19 2z5xA1 GLU 43 HG3 -0.09 0.12 -0.18 -0.04 2.34 2.15 2z5xA1 ALA 44 H -0.19 0.10 0.13 -0.55 8.40 7.89 2z5xA1 ALA 44 HA -0.26 0.03 -0.12 -0.75 4.34 3.24 2z5xA1 ALA 44 HB3 -0.89 0.01 0.05 -0.04 1.41 0.55 2z5xA1 ARG 45 H -0.18 0.01 -0.12 -0.55 8.46 7.61 2z5xA1 ARG 45 HA -0.10 0.16 0.53 -0.75 4.34 4.18 2z5xA1 ARG 45 HB2 -0.08 0.17 0.13 -0.04 1.90 2.08 2z5xA1 ARG 45 HB3 -0.06 -0.02 0.11 -0.04 1.80 1.78 2z5xA1 ARG 45 HG2 0.12 0.03 0.01 -0.04 1.67 1.79 2z5xA1 ARG 45 HG3 -0.04 -0.05 0.02 -0.04 1.67 1.57 2z5xA1 ARG 45 HD2 -0.01 -0.01 -0.01 -0.04 3.22 3.14 2z5xA1 ARG 45 HD3 -0.07 0.02 -0.01 -0.04 3.22 3.12 2z5xA1 ASP 46 H -0.03 0.17 0.15 -0.55 8.40 8.14 2z5xA1 ASP 46 HA -0.02 0.12 0.68 -0.75 4.63 4.65 2z5xA1 ASP 46 HB2 -0.00 0.04 0.21 -0.04 2.71 2.92 2z5xA1 ASP 46 HB3 -0.01 0.04 0.15 -0.04 2.70 2.84 2z5xA1 ARG 47 H -0.06 0.13 -0.48 -0.55 8.46 7.50 2z5xA1 ARG 47 HA -0.03 0.16 0.46 -0.75 4.34 4.18 2z5xA1 ARG 47 HB2 -0.05 0.04 0.08 -0.04 1.90 1.94 2z5xA1 ARG 47 HB3 -0.05 0.10 -0.11 -0.04 1.80 1.70 2z5xA1 ARG 47 HG2 -0.17 -0.13 -0.15 -0.04 1.67 1.18 2z5xA1 ARG 47 HG3 -0.15 -0.05 -0.35 -0.04 1.67 1.08 2z5xA1 ARG 47 HD2 -0.51 0.07 -0.06 -0.04 3.22 2.68 2z5xA1 ARG 47 HD3 -0.72 0.00 -0.08 -0.04 3.22 2.38 2z5xA1 VAL 48 H -0.02 0.17 0.11 -0.55 8.24 7.95 2z5xA1 VAL 48 HA -0.03 0.14 0.88 -0.75 4.13 4.37 2z5xA1 VAL 48 HB -0.02 0.03 0.08 -0.04 2.12 2.18 2z5xA1 VAL 48 HG13 -0.04 0.01 -0.09 -0.04 0.97 0.80 2z5xA1 VAL 48 HG23 -0.01 0.03 -0.21 -0.04 0.95 0.72 2z5xA1 GLY 49 H -0.00 0.73 0.37 -0.55 8.43 8.98 2z5xA1 GLY 49 HA2 0.02 -0.12 0.34 -0.51 4.01 3.74 2z5xA1 GLY 49 HA3 0.04 0.26 0.62 -0.51 4.01 4.43 2z5xA1 GLY 50 H 0.02 0.22 -0.26 -0.55 8.43 7.87 2z5xA1 GLY 50 HA2 0.09 0.09 0.30 -0.51 4.01 3.98 2z5xA1 GLY 50 HA3 0.06 -0.13 0.23 -0.51 4.01 3.66 2z5xA1 ARG 51 H 0.00 0.04 0.29 -0.55 8.46 8.24 2z5xA1 ARG 51 HA -0.40 0.20 0.69 -0.75 4.34 4.08 2z5xA1 ARG 51 HB2 -0.11 -0.07 0.20 -0.04 1.90 1.87 2z5xA1 ARG 51 HB3 -0.40 -0.03 0.22 -0.04 1.80 1.56 2z5xA1 ARG 51 HG2 -0.33 0.04 0.07 -0.04 1.67 1.41 2z5xA1 ARG 51 HG3 -0.01 -0.06 0.04 -0.04 1.67 1.60 2z5xA1 ARG 51 HD2 -0.08 0.07 0.13 -0.04 3.22 3.29 2z5xA1 ARG 51 HD3 -0.03 0.26 0.08 -0.04 3.22 3.50 2z5xA1 THR 52 H 0.03 0.59 -0.08 -0.55 8.28 8.27 2z5xA1 THR 52 HA 0.04 0.05 0.77 -0.75 4.39 4.49 2z5xA1 THR 52 HB 0.08 -0.03 -0.11 -0.04 4.32 4.21 2z5xA1 THR 52 HG23 0.01 -0.03 -0.03 -0.04 1.22 1.14 2z5xA1 TYR 53 H 0.26 0.15 -0.13 -0.55 8.29 8.01 2z5xA1 TYR 53 HA 0.14 0.17 0.49 -0.75 4.56 4.60 2z5xA1 TYR 53 HB2 0.40 0.23 -0.35 -0.04 3.06 3.30 2z5xA1 TYR 53 HB3 0.40 -0.11 -0.05 -0.04 2.98 3.18 2z5xA1 TYR 53 HD2 0.07 -0.00 -0.09 -0.04 7.15 7.09 2z5xA1 TYR 53 HE2 0.00 0.03 -0.07 -0.04 6.85 6.78 2z5xA1 THR 54 H 0.25 0.18 0.08 -0.55 8.28 8.24 2z5xA1 THR 54 HA 0.09 0.23 0.92 -0.75 4.39 4.88 2z5xA1 THR 54 HB 0.11 0.04 0.14 -0.04 4.32 4.57 2z5xA1 THR 54 HG23 0.16 0.11 -0.22 -0.04 1.22 1.23 2z5xA1 ILE 55 H -0.09 0.55 0.25 -0.55 8.25 8.40 2z5xA1 ILE 55 HA -0.18 0.10 0.55 -0.75 4.18 3.89 2z5xA1 ILE 55 HB -0.13 0.06 0.08 -0.04 1.89 1.86 2z5xA1 ILE 55 HG12 -0.18 0.01 -0.06 -0.04 1.49 1.22 2z5xA1 ILE 55 HG13 -0.20 0.03 -0.00 -0.04 1.21 1.00 2z5xA1 ILE 55 HG23 -0.03 -0.02 -0.39 -0.04 0.93 0.45 2z5xA1 ILE 55 HD13 -0.96 -0.00 -0.14 -0.04 0.88 -0.26 2z5xA1 ARG 56 H 0.01 0.25 0.11 -0.55 8.46 8.28 2z5xA1 ARG 56 HA 0.06 0.30 0.81 -0.75 4.34 4.76 2z5xA1 ARG 56 HB2 0.05 -0.06 0.15 -0.04 1.90 1.99 2z5xA1 ARG 56 HB3 0.05 0.09 0.11 -0.04 1.80 2.01 2z5xA1 ARG 56 HG2 0.14 0.08 0.03 -0.04 1.67 1.87 2z5xA1 ARG 56 HG3 0.08 -0.07 -0.49 -0.04 1.67 1.16 2z5xA1 ARG 56 HD2 0.05 -0.03 -0.03 -0.04 3.22 3.17 2z5xA1 ARG 56 HD3 0.05 0.02 -0.02 -0.04 3.22 3.22 2z5xA1 ASN 57 H -0.01 0.24 0.01 -0.55 8.53 8.22 2z5xA1 ASN 57 HA -0.02 0.19 0.15 -0.75 4.76 4.32 2z5xA1 ASN 57 HB2 -0.01 -0.10 0.23 -0.04 2.88 2.96 2z5xA1 ASN 57 HB3 0.01 0.18 0.20 -0.04 2.79 3.14 2z5xA1 ASN 57 HD21 0.05 0.04 -0.15 -0.04 7.03 6.93 2z5xA1 ASN 57 HD22 0.03 0.08 -0.16 -0.04 7.74 7.65 2z5xA1 GLU 58 H -0.14 0.19 0.15 -0.55 8.60 8.26 2z5xA1 GLU 58 HA -0.10 0.18 0.53 -0.75 4.29 4.14 2z5xA1 GLU 58 HB2 -0.11 0.07 0.08 -0.04 2.09 2.09 2z5xA1 GLU 58 HB3 -0.14 -0.01 0.12 -0.04 1.99 1.91 2z5xA1 GLU 58 HG2 -0.27 0.05 -0.21 -0.04 2.34 1.86 2z5xA1 GLU 58 HG3 -0.18 0.03 -0.02 -0.04 2.34 2.13 2z5xA1 HIS 59 H -0.27 -0.00 -0.12 -0.55 8.41 7.48 2z5xA1 HIS 59 HA -0.28 0.18 0.59 -0.75 4.63 4.36 2z5xA1 HIS 59 HB2 -0.72 -0.06 -0.02 -0.04 3.26 2.43 2z5xA1 HIS 59 HB3 -1.10 0.06 -0.04 -0.04 3.20 2.08 2z5xA1 HIS 59 HD2 -0.19 -0.04 0.03 -0.04 6.97 6.72 2z5xA1 HIS 59 HE1 -0.06 0.04 0.01 -0.04 7.75 7.70 2z5xA1 VAL 60 H -0.16 0.02 -0.45 -0.55 8.24 7.11 2z5xA1 VAL 60 HA -0.34 0.25 0.49 -0.75 4.13 3.77 2z5xA1 VAL 60 HB -0.06 0.13 -0.25 -0.04 2.12 1.90 2z5xA1 VAL 60 HG13 -0.38 -0.02 -0.32 -0.04 0.97 0.21 2z5xA1 VAL 60 HG23 -0.04 -0.03 -0.50 -0.04 0.95 0.34 2z5xA1 ASP 61 H -0.10 0.06 -0.22 -0.55 8.40 7.60 2z5xA1 ASP 61 HA 0.00 0.02 0.40 -0.75 4.63 4.29 2z5xA1 ASP 61 HB2 -0.03 -0.02 0.10 -0.04 2.71 2.73 2z5xA1 ASP 61 HB3 -0.14 0.16 0.59 -0.04 2.70 3.27 2z5xA1 TYR 62 H -0.33 0.50 0.02 -0.55 8.29 7.93 2z5xA1 TYR 62 HA 0.01 0.27 0.63 -0.75 4.56 4.72 2z5xA1 TYR 62 HB2 0.04 -0.02 -0.02 -0.04 3.06 3.02 2z5xA1 TYR 62 HB3 0.03 0.04 -0.07 -0.04 2.98 2.93 2z5xA1 TYR 62 HD2 0.05 -0.04 -0.28 -0.04 7.15 6.84 2z5xA1 TYR 62 HE2 0.08 0.05 0.00 -0.04 6.85 6.95 2z5xA1 VAL 63 H 0.12 0.59 0.22 -0.55 8.24 8.62 2z5xA1 VAL 63 HA 0.08 0.13 0.43 -0.75 4.13 4.02 2z5xA1 VAL 63 HB 0.13 0.19 -0.02 -0.04 2.12 2.38 2z5xA1 VAL 63 HG13 0.08 -0.04 -0.22 -0.04 0.97 0.75 2z5xA1 VAL 63 HG23 0.11 0.04 -0.12 -0.04 0.95 0.94 2z5xA1 ASP 64 H 0.10 0.23 0.12 -0.55 8.40 8.31 2z5xA1 ASP 64 HA 0.11 0.05 0.83 -0.75 4.63 4.87 2z5xA1 ASP 64 HB2 0.02 0.06 0.20 -0.04 2.71 2.94 2z5xA1 ASP 64 HB3 0.03 0.21 -0.08 -0.04 2.70 2.82 2z5xA1 VAL 65 H 0.13 0.67 0.38 -0.55 8.24 8.87 2z5xA1 VAL 65 HA 0.19 0.20 0.84 -0.75 4.13 4.61 2z5xA1 VAL 65 HB 0.20 -0.03 0.07 -0.04 2.12 2.32 2z5xA1 VAL 65 HG13 0.00 0.00 -0.22 -0.04 0.97 0.71 2z5xA1 VAL 65 HG23 0.06 0.01 -0.06 -0.04 0.95 0.92 2z5xA1 GLY 66 H 0.20 -0.04 -0.14 -0.55 8.43 7.90 2z5xA1 GLY 66 HA2 -0.22 0.18 0.82 -0.51 4.01 4.28 2z5xA1 GLY 66 HA3 -0.06 0.11 0.29 -0.51 4.01 3.85 2z5xA1 GLY 67 H -0.19 0.59 0.36 -0.55 8.43 8.64 2z5xA1 GLY 67 HA2 -0.11 0.07 0.40 -0.51 4.01 3.85 2z5xA1 GLY 67 HA3 -0.09 -0.04 0.34 -0.51 4.01 3.72 2z5xA1 ALA 68 H -0.14 -0.01 0.26 -0.55 8.40 7.95 2z5xA1 ALA 68 HA -0.13 0.01 0.94 -0.75 4.34 4.41 2z5xA1 ALA 68 HB3 -0.66 0.05 0.01 -0.04 1.41 0.78 2z5xA1 TYR 69 H -0.10 -0.07 0.27 -0.55 8.29 7.84 2z5xA1 TYR 69 HA -0.25 0.36 0.40 -0.75 4.56 4.31 2z5xA1 TYR 69 HB2 -0.11 -0.06 0.14 -0.04 3.06 2.99 2z5xA1 TYR 69 HB3 -0.17 0.15 0.19 -0.04 2.98 3.11 2z5xA1 TYR 69 HD2 -0.13 0.09 -0.03 -0.04 7.15 7.04 2z5xA1 TYR 69 HE2 -0.10 0.01 -0.06 -0.04 6.85 6.66 2z5xA1 VAL 70 H -0.19 0.65 0.34 -0.55 8.24 8.50 2z5xA1 VAL 70 HA -0.27 0.08 0.77 -0.75 4.13 3.94 2z5xA1 VAL 70 HB -0.24 -0.02 -0.00 -0.04 2.12 1.81 2z5xA1 VAL 70 HG13 -0.18 -0.02 -0.23 -0.04 0.97 0.49 2z5xA1 VAL 70 HG23 -0.54 0.00 -0.30 -0.04 0.95 0.07 2z5xA1 GLY 71 H -0.38 0.22 0.19 -0.55 8.43 7.92 2z5xA1 GLY 71 HA2 -0.17 0.04 0.36 -0.51 4.01 3.73 2z5xA1 GLY 71 HA3 -0.20 0.38 0.38 -0.51 4.01 4.07 2z5xA1 PRO 72 HA -0.05 0.05 0.28 -0.51 4.44 4.21 2z5xA1 PRO 72 HB2 0.01 0.12 -0.12 -0.04 2.28 2.25 2z5xA1 PRO 72 HB3 -0.01 0.03 -0.11 -0.04 2.02 1.89 2z5xA1 PRO 72 HG2 -0.03 -0.07 0.02 -0.04 2.03 1.91 2z5xA1 PRO 72 HG3 -0.03 0.13 0.00 -0.04 2.03 2.09 2z5xA1 PRO 72 HD2 -0.08 0.35 0.15 -0.04 3.68 4.06 2z5xA1 PRO 72 HD3 -0.09 0.09 0.13 -0.04 3.65 3.75 2z5xA1 THR 73 H -0.01 0.16 0.11 -0.55 8.28 7.99 2z5xA1 THR 73 HA 0.07 -0.02 0.36 -0.75 4.39 4.04 2z5xA1 THR 73 HB 0.20 -0.05 0.14 -0.04 4.32 4.57 2z5xA1 THR 73 HG23 0.09 -0.00 -0.27 -0.04 1.22 0.99 2z5xA1 GLN 74 H -0.20 0.49 -0.50 -0.55 8.47 7.71 2z5xA1 GLN 74 HA -0.32 0.12 0.71 -0.75 4.36 4.11 2z5xA1 GLN 74 HB2 -0.42 0.22 0.24 -0.04 2.15 2.15 2z5xA1 GLN 74 HB3 -0.38 -0.21 0.21 -0.04 2.02 1.60 2z5xA1 GLN 74 HG2 -1.78 -0.05 0.03 -0.04 2.40 0.56 2z5xA1 GLN 74 HG3 -1.64 0.23 -0.10 -0.04 2.39 0.84 2z5xA1 GLN 74 HE21 -0.81 0.10 0.05 -0.04 6.97 6.26 2z5xA1 GLN 74 HE22 -3.35 0.09 0.01 -0.04 7.69 4.39 2z5xA1 ASN 75 H 0.00 0.49 -0.32 -0.55 8.53 8.15 2z5xA1 ASN 75 HA -0.01 0.01 0.09 -0.75 4.76 4.09 2z5xA1 ASN 75 HB2 0.03 0.05 -0.00 -0.04 2.88 2.92 2z5xA1 ASN 75 HB3 0.02 0.27 -0.08 -0.04 2.79 2.96 2z5xA1 ASN 75 HD21 0.03 -0.04 0.03 -0.04 7.03 7.01 2z5xA1 ASN 75 HD22 0.04 0.15 -0.06 -0.04 7.74 7.84 2z5xA1 ARG 76 H 0.02 0.13 -0.07 -0.55 8.46 7.99 2z5xA1 ARG 76 HA 0.02 0.16 0.48 -0.75 4.34 4.25 2z5xA1 ARG 76 HB2 0.04 -0.01 0.14 -0.04 1.90 2.03 2z5xA1 ARG 76 HB3 0.03 0.00 -0.01 -0.04 1.80 1.79 2z5xA1 ARG 76 HG2 0.04 0.09 -0.01 -0.04 1.67 1.75 2z5xA1 ARG 76 HG3 0.05 -0.05 0.02 -0.04 1.67 1.65 2z5xA1 ARG 76 HD2 0.09 -0.01 0.04 -0.04 3.22 3.30 2z5xA1 ARG 76 HD3 0.06 -0.00 -0.12 -0.04 3.22 3.12 2z5xA1 ILE 77 H -0.01 0.13 -0.15 -0.55 8.25 7.67 2z5xA1 ILE 77 HA 0.03 0.06 0.20 -0.75 4.18 3.71 2z5xA1 ILE 77 HB 0.03 -0.04 -0.04 -0.04 1.89 1.79 2z5xA1 ILE 77 HG12 0.19 -0.01 -0.14 -0.04 1.49 1.48 2z5xA1 ILE 77 HG13 0.27 0.05 -0.17 -0.04 1.21 1.32 2z5xA1 ILE 77 HG23 -0.05 0.01 0.02 -0.04 0.93 0.87 2z5xA1 ILE 77 HD13 0.03 0.01 -0.06 -0.04 0.88 0.82 2z5xA1 LEU 78 H 0.00 0.37 -0.22 -0.55 8.37 7.98 2z5xA1 LEU 78 HA 0.12 0.04 0.34 -0.75 4.35 4.10 2z5xA1 LEU 78 HB2 -0.00 0.06 0.02 -0.04 1.64 1.67 2z5xA1 LEU 78 HB3 0.02 -0.04 -0.07 -0.04 1.64 1.51 2z5xA1 LEU 78 HG -0.05 0.10 -0.02 -0.04 1.64 1.63 2z5xA1 LEU 78 HD13 -0.06 -0.03 -0.25 -0.04 0.93 0.54 2z5xA1 LEU 78 HD23 -0.01 -0.01 -0.15 -0.04 0.89 0.68 2z5xA1 ARG 79 H 0.01 0.51 -0.20 -0.55 8.46 8.24 2z5xA1 ARG 79 HA 0.01 -0.00 0.45 -0.75 4.34 4.04 2z5xA1 ARG 79 HB2 0.01 0.00 0.08 -0.04 1.90 1.95 2z5xA1 ARG 79 HB3 0.01 0.07 0.20 -0.04 1.80 2.04 2z5xA1 ARG 79 HG2 0.00 -0.05 -0.03 -0.04 1.67 1.55 2z5xA1 ARG 79 HG3 0.01 0.01 -0.03 -0.04 1.67 1.62 2z5xA1 ARG 79 HD2 0.00 0.02 -0.44 -0.04 3.22 2.76 2z5xA1 ARG 79 HD3 0.01 0.02 -0.12 -0.04 3.22 3.08 2z5xA1 LEU 80 H 0.00 0.72 0.06 -0.55 8.37 8.61 2z5xA1 LEU 80 HA -0.02 0.06 0.44 -0.75 4.35 4.08 2z5xA1 LEU 80 HB2 -0.01 -0.01 0.06 -0.04 1.64 1.65 2z5xA1 LEU 80 HB3 -0.01 -0.04 0.07 -0.04 1.64 1.63 2z5xA1 LEU 80 HG -0.05 0.03 -0.34 -0.04 1.64 1.24 2z5xA1 LEU 80 HD13 -0.03 0.01 -0.02 -0.04 0.93 0.86 2z5xA1 LEU 80 HD23 -0.02 -0.03 -0.07 -0.04 0.89 0.72 2z5xA1 SER 81 H -0.02 0.70 -0.17 -0.55 8.46 8.42 2z5xA1 SER 81 HA -0.15 0.03 0.45 -0.75 4.49 4.06 2z5xA1 SER 81 HB2 -0.47 -0.06 -0.07 -0.04 3.95 3.32 2z5xA1 SER 81 HB3 -0.34 -0.09 0.03 -0.04 3.93 3.48 2z5xA1 LYS 82 H 0.01 0.67 -0.04 -0.55 8.42 8.51 2z5xA1 LYS 82 HA 0.00 0.12 0.52 -0.75 4.32 4.21 2z5xA1 LYS 82 HB2 0.03 -0.06 0.16 -0.04 1.87 1.95 2z5xA1 LYS 82 HB3 0.01 0.08 0.25 -0.04 1.79 2.10 2z5xA1 LYS 82 HG2 0.00 0.02 -0.11 -0.04 1.46 1.33 2z5xA1 LYS 82 HG3 0.01 -0.02 -0.02 -0.04 1.46 1.38 2z5xA1 LYS 82 HD2 0.02 -0.03 0.01 -0.04 1.69 1.65 2z5xA1 LYS 82 HD3 0.01 -0.06 -0.01 -0.04 1.68 1.59 2z5xA1 LYS 82 HE2 0.01 0.03 -0.04 -0.04 2.99 2.94 2z5xA1 LYS 82 HE3 0.01 0.02 -0.04 -0.04 2.99 2.94 2z5xA1 GLU 83 H -0.02 0.64 -0.15 -0.55 8.60 8.53 2z5xA1 GLU 83 HA -0.01 -0.01 0.27 -0.75 4.29 3.78 2z5xA1 GLU 83 HB2 -0.01 -0.05 0.11 -0.04 2.09 2.09 2z5xA1 GLU 83 HB3 -0.01 0.02 0.11 -0.04 1.99 2.06 2z5xA1 GLU 83 HG2 -0.03 0.25 0.03 -0.04 2.34 2.56 2z5xA1 GLU 83 HG3 -0.02 -0.03 -0.15 -0.04 2.34 2.09 2z5xA1 LEU 84 H -0.05 0.31 -0.73 -0.55 8.37 7.35 2z5xA1 LEU 84 HA -0.04 0.14 0.80 -0.75 4.35 4.49 2z5xA1 LEU 84 HB2 -0.09 0.06 0.12 -0.04 1.64 1.69 2z5xA1 LEU 84 HB3 -0.07 -0.08 0.13 -0.04 1.64 1.58 2z5xA1 LEU 84 HG -0.05 0.14 -0.07 -0.04 1.64 1.61 2z5xA1 LEU 84 HD13 -0.08 -0.05 -0.02 -0.04 0.93 0.74 2z5xA1 LEU 84 HD23 -0.04 -0.01 -0.11 -0.04 0.89 0.68 2z5xA1 GLY 85 H -0.03 0.72 -0.20 -0.55 8.43 8.38 2z5xA1 GLY 85 HA2 -0.02 -0.00 0.28 -0.51 4.01 3.76 2z5xA1 GLY 85 HA3 -0.03 0.02 0.47 -0.51 4.01 3.96 2z5xA1 ILE 86 H -0.06 0.48 -0.14 -0.55 8.25 7.98 2z5xA1 ILE 86 HA -0.03 0.10 0.76 -0.75 4.18 4.25 2z5xA1 ILE 86 HB -0.25 -0.07 -0.07 -0.04 1.89 1.46 2z5xA1 ILE 86 HG12 -0.14 0.01 -0.17 -0.04 1.49 1.16 2z5xA1 ILE 86 HG13 -0.11 0.09 -0.45 -0.04 1.21 0.70 2z5xA1 ILE 86 HG23 -0.22 0.01 -0.17 -0.04 0.93 0.51 2z5xA1 ILE 86 HD13 -0.23 -0.00 -0.23 -0.04 0.88 0.38 2z5xA1 GLU 87 H 0.06 0.19 0.17 -0.55 8.60 8.48 2z5xA1 GLU 87 HA 0.09 0.15 0.83 -0.75 4.29 4.61 2z5xA1 GLU 87 HB2 0.09 -0.07 0.09 -0.04 2.09 2.16 2z5xA1 GLU 87 HB3 0.09 0.10 0.04 -0.04 1.99 2.18 2z5xA1 GLU 87 HG2 0.04 0.01 -0.04 -0.04 2.34 2.31 2z5xA1 GLU 87 HG3 0.03 0.08 -0.10 -0.04 2.34 2.31 2z5xA1 THR 88 H 0.11 0.13 0.13 -0.55 8.28 8.10 2z5xA1 THR 88 HA 0.08 0.22 1.04 -0.75 4.39 4.98 2z5xA1 THR 88 HB -0.17 0.06 0.02 -0.04 4.32 4.20 2z5xA1 THR 88 HG23 -0.02 -0.02 -0.19 -0.04 1.22 0.95 2z5xA1 TYR 89 H -0.22 0.59 0.32 -0.55 8.29 8.43 2z5xA1 TYR 89 HA 0.01 0.13 0.59 -0.75 4.56 4.53 2z5xA1 TYR 89 HB2 0.03 0.03 0.11 -0.04 3.06 3.19 2z5xA1 TYR 89 HB3 0.04 0.02 -0.12 -0.04 2.98 2.88 2z5xA1 TYR 89 HD2 0.05 0.09 -0.31 -0.04 7.15 6.94 2z5xA1 TYR 89 HE2 0.11 0.10 -0.26 -0.04 6.85 6.76 2z5xA1 LYS 90 H 0.13 0.11 0.13 -0.55 8.42 8.24 2z5xA1 LYS 90 HA -0.07 0.21 0.70 -0.75 4.32 4.40 2z5xA1 LYS 90 HB2 0.05 -0.07 0.15 -0.04 1.87 1.96 2z5xA1 LYS 90 HB3 0.01 0.13 0.03 -0.04 1.79 1.91 2z5xA1 LYS 90 HG2 -0.03 0.06 0.02 -0.04 1.46 1.47 2z5xA1 LYS 90 HG3 0.01 -0.06 0.02 -0.04 1.46 1.39 2z5xA1 LYS 90 HD2 -0.00 0.01 0.03 -0.04 1.69 1.69 2z5xA1 LYS 90 HD3 -0.01 -0.03 0.02 -0.04 1.68 1.62 2z5xA1 LYS 90 HE2 0.02 -0.01 0.03 -0.04 2.99 2.98 2z5xA1 LYS 90 HE3 0.01 -0.01 0.02 -0.04 2.99 2.97 2z5xA1 VAL 91 H -0.09 0.67 0.32 -0.55 8.24 8.59 2z5xA1 VAL 91 HA 0.02 0.04 0.48 -0.75 4.13 3.91 2z5xA1 VAL 91 HB -0.12 0.03 0.04 -0.04 2.12 2.03 2z5xA1 VAL 91 HG13 -0.12 0.01 -0.09 -0.04 0.97 0.72 2z5xA1 VAL 91 HG23 -0.07 0.00 -0.18 -0.04 0.95 0.66 2z5xA1 ASN 92 H 0.05 0.15 0.12 -0.55 8.53 8.30 2z5xA1 ASN 92 HA 0.03 0.09 0.50 -0.75 4.76 4.63 2z5xA1 ASN 92 HB2 0.09 0.07 0.12 -0.04 2.88 3.13 2z5xA1 ASN 92 HB3 0.08 0.03 0.23 -0.04 2.79 3.09 2z5xA1 ASN 92 HD21 0.08 -0.06 -0.01 -0.04 7.03 7.00 2z5xA1 ASN 92 HD22 0.12 0.18 0.07 -0.04 7.74 8.07 2z5xA1 VAL 93 H -0.00 0.20 0.19 -0.55 8.24 8.08 2z5xA1 VAL 93 HA -0.03 0.13 0.57 -0.75 4.13 4.03 2z5xA1 VAL 93 HB -0.06 0.01 0.21 -0.04 2.12 2.24 2z5xA1 VAL 93 HG13 -0.10 -0.00 -0.09 -0.04 0.97 0.73 2z5xA1 VAL 93 HG23 -0.04 0.01 -0.04 -0.04 0.95 0.83 2z5xA1 SER 94 H 0.01 0.04 0.07 -0.55 8.46 8.04 2z5xA1 SER 94 HA 0.00 0.08 0.56 -0.75 4.49 4.38 2z5xA1 SER 94 HB2 0.01 -0.02 0.14 -0.04 3.95 4.04 2z5xA1 SER 94 HB3 0.01 -0.02 0.08 -0.04 3.93 3.97 2z5xA1 GLU 95 H 0.02 -0.07 -0.34 -0.55 8.60 7.67 2z5xA1 GLU 95 HA 0.01 0.24 0.54 -0.75 4.29 4.32 2z5xA1 GLU 95 HB2 0.08 -0.07 -0.87 -0.04 2.09 1.19 2z5xA1 GLU 95 HB3 0.02 0.02 -0.47 -0.04 1.99 1.52 2z5xA1 GLU 95 HG2 -0.00 0.11 -0.09 -0.04 2.34 2.32 2z5xA1 GLU 95 HG3 0.00 0.04 -0.28 -0.04 2.34 2.06 2z5xA1 ARG 96 H 0.04 0.51 -0.00 -0.55 8.46 8.46 2z5xA1 ARG 96 HA -0.03 0.10 0.64 -0.75 4.34 4.29 2z5xA1 ARG 96 HB2 0.15 0.26 0.38 -0.04 1.90 2.65 2z5xA1 ARG 96 HB3 0.11 0.04 0.25 -0.04 1.80 2.16 2z5xA1 ARG 96 HG2 0.05 -0.06 -0.02 -0.04 1.67 1.60 2z5xA1 ARG 96 HG3 0.03 -0.07 0.07 -0.04 1.67 1.65 2z5xA1 ARG 96 HD2 0.11 -0.06 0.01 -0.04 3.22 3.23 2z5xA1 ARG 96 HD3 0.04 -0.08 0.03 -0.04 3.22 3.18 2z5xA1 LEU 97 H -0.30 0.31 0.43 -0.55 8.37 8.27 2z5xA1 LEU 97 HA -0.23 0.02 0.81 -0.75 4.35 4.20 2z5xA1 LEU 97 HB2 -1.48 0.05 0.01 -0.04 1.64 0.19 2z5xA1 LEU 97 HB3 -0.90 0.02 0.05 -0.04 1.64 0.77 2z5xA1 LEU 97 HG -0.24 -0.09 0.13 -0.04 1.64 1.40 2z5xA1 LEU 97 HD13 -0.21 -0.02 0.11 -0.04 0.93 0.78 2z5xA1 LEU 97 HD23 -0.17 0.04 -0.01 -0.04 0.89 0.71 2z5xA1 VAL 98 H -0.07 0.60 0.36 -0.55 8.24 8.58 2z5xA1 VAL 98 HA 0.25 0.22 0.46 -0.75 4.13 4.30 2z5xA1 VAL 98 HB 0.05 -0.00 -0.17 -0.04 2.12 1.97 2z5xA1 VAL 98 HG13 -0.28 0.01 -0.24 -0.04 0.97 0.42 2z5xA1 VAL 98 HG23 -0.12 -0.02 -0.23 -0.04 0.95 0.55 2z5xA1 GLN 99 H 0.40 0.67 0.21 -0.55 8.47 9.20 2z5xA1 GLN 99 HA 0.34 0.19 1.03 -0.75 4.36 5.17 2z5xA1 GLN 99 HB2 0.17 0.00 0.03 -0.04 2.15 2.32 2z5xA1 GLN 99 HB3 0.27 -0.01 0.18 -0.04 2.02 2.41 2z5xA1 GLN 99 HG2 0.25 0.01 -0.22 -0.04 2.40 2.40 2z5xA1 GLN 99 HG3 0.32 0.03 0.08 -0.04 2.39 2.77 2z5xA1 GLN 99 HE21 0.06 -0.08 -0.04 -0.04 6.97 6.87 2z5xA1 GLN 99 HE22 0.39 0.02 -0.03 -0.04 7.69 8.03 2z5xA1 TYR 100 H 0.31 0.68 0.25 -0.55 8.29 8.98 2z5xA1 TYR 100 HA 0.12 0.34 1.00 -0.75 4.56 5.26 2z5xA1 TYR 100 HB2 0.06 0.02 -0.12 -0.04 3.06 2.98 2z5xA1 TYR 100 HB3 0.10 -0.08 0.08 -0.04 2.98 3.03 2z5xA1 TYR 100 HD2 0.05 0.00 -0.27 -0.04 7.15 6.90 2z5xA1 TYR 100 HE2 0.04 0.06 -0.27 -0.04 6.85 6.64 2z5xA1 VAL 101 H -0.02 0.71 0.18 -0.55 8.24 8.56 2z5xA1 VAL 101 HA -0.00 0.31 0.80 -0.75 4.13 4.48 2z5xA1 VAL 101 HB 0.08 -0.02 -0.10 -0.04 2.12 2.04 2z5xA1 VAL 101 HG13 0.09 -0.02 0.11 -0.04 0.97 1.10 2z5xA1 VAL 101 HG23 0.17 0.02 -0.14 -0.04 0.95 0.97 2z5xA1 LYS 102 H -0.04 0.22 0.17 -0.55 8.42 8.21 2z5xA1 LYS 102 HA -0.03 0.01 0.38 -0.75 4.32 3.93 2z5xA1 LYS 102 HB2 0.03 0.15 -0.19 -0.04 1.87 1.81 2z5xA1 LYS 102 HB3 0.01 0.03 0.22 -0.04 1.79 2.00 2z5xA1 LYS 102 HG2 0.01 0.01 0.08 -0.04 1.46 1.52 2z5xA1 LYS 102 HG3 0.01 -0.04 0.00 -0.04 1.46 1.40 2z5xA1 LYS 102 HD2 0.01 0.00 -0.03 -0.04 1.69 1.63 2z5xA1 LYS 102 HD3 0.01 0.03 0.02 -0.04 1.68 1.70 2z5xA1 LYS 102 HE2 -0.01 -0.00 0.01 -0.04 2.99 2.94 2z5xA1 LYS 102 HE3 -0.00 0.02 0.02 -0.04 2.99 2.98 2z5xA1 GLY 103 H -0.35 0.06 -0.27 -0.55 8.43 7.32 2z5xA1 GLY 103 HA2 -0.01 -0.02 0.22 -0.51 4.01 3.69 2z5xA1 GLY 103 HA3 -0.04 0.09 0.22 -0.51 4.01 3.76 2z5xA1 LYS 104 H -0.34 0.40 -0.63 -0.55 8.42 7.29 2z5xA1 LYS 104 HA -0.15 0.12 0.70 -0.75 4.32 4.24 2z5xA1 LYS 104 HB2 -0.08 0.13 0.06 -0.04 1.87 1.94 2z5xA1 LYS 104 HB3 -0.62 -0.02 -0.06 -0.04 1.79 1.05 2z5xA1 LYS 104 HG2 -0.08 0.00 -0.09 -0.04 1.46 1.26 2z5xA1 LYS 104 HG3 -0.06 -0.06 -0.00 -0.04 1.46 1.30 2z5xA1 LYS 104 HD2 -0.22 -0.00 0.10 -0.04 1.69 1.53 2z5xA1 LYS 104 HD3 -0.10 -0.03 0.03 -0.04 1.68 1.54 2z5xA1 LYS 104 HE2 -0.13 -0.08 -0.01 -0.04 2.99 2.73 2z5xA1 LYS 104 HE3 -0.85 0.05 -0.09 -0.04 2.99 2.06 2z5xA1 THR 105 H -0.13 0.20 0.19 -0.55 8.28 7.99 2z5xA1 THR 105 HA 0.06 0.26 1.15 -0.75 4.39 5.10 2z5xA1 THR 105 HB 0.23 -0.08 0.02 -0.04 4.32 4.44 2z5xA1 THR 105 HG23 0.13 0.07 0.08 -0.04 1.22 1.46 2z5xA1 TYR 106 H 0.23 0.76 0.36 -0.55 8.29 9.09 2z5xA1 TYR 106 HA 0.14 0.22 1.01 -0.75 4.56 5.18 2z5xA1 TYR 106 HB2 0.13 -0.07 0.24 -0.04 3.06 3.32 2z5xA1 TYR 106 HB3 0.16 0.06 0.05 -0.04 2.98 3.21 2z5xA1 TYR 106 HD2 0.06 0.05 0.00 -0.04 7.15 7.22 2z5xA1 TYR 106 HE2 0.00 0.03 -0.02 -0.04 6.85 6.82 2z5xA1 PRO 107 HA 0.25 0.22 0.66 -0.51 4.44 5.06 2z5xA1 PRO 107 HB2 0.22 -0.04 0.01 -0.04 2.28 2.43 2z5xA1 PRO 107 HB3 0.33 0.10 0.15 -0.04 2.02 2.57 2z5xA1 PRO 107 HG2 0.21 0.00 0.10 -0.04 2.03 2.30 2z5xA1 PRO 107 HG3 0.38 0.08 0.07 -0.04 2.03 2.52 2z5xA1 PRO 107 HD2 0.23 0.03 0.25 -0.04 3.68 4.15 2z5xA1 PRO 107 HD3 0.16 0.29 0.13 -0.04 3.65 4.19 2z5xA1 PHE 108 H 0.05 0.72 0.35 -0.55 8.34 8.91 2z5xA1 PHE 108 HA 0.15 0.03 0.46 -0.75 4.62 4.51 2z5xA1 PHE 108 HB2 0.13 -0.03 0.17 -0.04 3.15 3.37 2z5xA1 PHE 108 HB3 0.16 0.12 -0.18 -0.04 3.06 3.12 2z5xA1 PHE 108 HD2 0.13 0.19 -0.38 -0.04 7.28 7.18 2z5xA1 PHE 108 HE2 0.12 0.08 -0.69 -0.04 7.38 6.85 2z5xA1 PHE 108 HZ 0.13 0.04 -0.23 -0.04 7.32 7.22 2z5xA1 ARG 109 H 0.33 0.23 0.23 -0.55 8.46 8.69 2z5xA1 ARG 109 HA -0.06 0.17 0.91 -0.75 4.34 4.60 2z5xA1 ARG 109 HB2 0.13 -0.04 0.01 -0.04 1.90 1.96 2z5xA1 ARG 109 HB3 0.06 -0.01 0.09 -0.04 1.80 1.90 2z5xA1 ARG 109 HG2 0.09 -0.07 -0.31 -0.04 1.67 1.33 2z5xA1 ARG 109 HG3 0.09 -0.01 -0.03 -0.04 1.67 1.67 2z5xA1 ARG 109 HD2 0.03 -0.02 0.00 -0.04 3.22 3.20 2z5xA1 ARG 109 HD3 0.00 0.10 0.02 -0.04 3.22 3.30 2z5xA1 GLY 110 H 0.05 0.13 0.15 -0.55 8.43 8.21 2z5xA1 GLY 110 HA2 0.11 0.01 0.36 -0.51 4.01 3.98 2z5xA1 GLY 110 HA3 0.21 0.14 0.76 -0.51 4.01 4.60 2z5xA1 ALA 111 H 0.20 0.07 0.12 -0.55 8.40 8.25 2z5xA1 ALA 111 HA 0.06 0.10 0.27 -0.75 4.34 4.01 2z5xA1 ALA 111 HB3 0.05 0.00 0.01 -0.04 1.41 1.43 2z5xA1 PHE 112 H 0.40 0.00 -0.06 -0.55 8.34 8.13 2z5xA1 PHE 112 HA 0.26 0.27 0.83 -0.75 4.62 5.22 2z5xA1 PHE 112 HB2 0.04 -0.08 -0.03 -0.04 3.15 3.03 2z5xA1 PHE 112 HB3 0.06 0.08 -0.07 -0.04 3.06 3.09 2z5xA1 PHE 112 HD2 -0.31 -0.04 -0.07 -0.04 7.28 6.82 2z5xA1 PHE 112 HE2 -1.19 -0.03 -0.11 -0.04 7.38 6.00 2z5xA1 PHE 112 HZ -0.65 0.03 -0.31 -0.04 7.32 6.34 2z5xA1 PRO 113 HA -1.54 0.15 0.31 -0.51 4.44 2.85 2z5xA1 PRO 113 HB2 -0.39 0.01 -0.06 -0.04 2.28 1.80 2z5xA1 PRO 113 HB3 -0.69 0.06 0.01 -0.04 2.02 1.37 2z5xA1 PRO 113 HG2 -0.08 -0.04 0.03 -0.04 2.03 1.91 2z5xA1 PRO 113 HG3 0.01 0.08 0.01 -0.04 2.03 2.09 2z5xA1 PRO 113 HD2 -0.25 0.00 0.11 -0.04 3.68 3.50 2z5xA1 PRO 113 HD3 0.33 0.19 0.17 -0.04 3.65 4.30 2z5xA1 PRO 114 HA -0.28 -0.01 0.41 -0.51 4.44 4.05 2z5xA1 PRO 114 HB2 -0.06 -0.02 0.05 -0.04 2.28 2.22 2z5xA1 PRO 114 HB3 -0.41 -0.00 0.03 -0.04 2.02 1.60 2z5xA1 PRO 114 HG2 0.20 0.06 0.12 -0.04 2.03 2.37 2z5xA1 PRO 114 HG3 0.03 0.07 0.11 -0.04 2.03 2.20 2z5xA1 PRO 114 HD2 -0.19 0.12 0.15 -0.04 3.68 3.72 2z5xA1 PRO 114 HD3 -0.42 0.20 0.17 -0.04 3.65 3.56 2z5xA1 VAL 115 H -0.40 0.18 0.09 -0.55 8.24 7.57 2z5xA1 VAL 115 HA -0.37 0.16 0.75 -0.75 4.13 3.91 2z5xA1 VAL 115 HB -0.43 -0.00 0.06 -0.04 2.12 1.71 2z5xA1 VAL 115 HG13 -0.24 -0.01 -0.28 -0.04 0.97 0.39 2z5xA1 VAL 115 HG23 -1.33 0.05 -0.14 -0.04 0.95 -0.51 2z5xA1 TRP 116 H -0.03 0.15 -0.02 -0.55 7.97 7.53 2z5xA1 TRP 116 HA -0.09 0.16 0.37 -0.75 4.62 4.31 2z5xA1 TRP 116 HB2 -0.11 -0.00 0.09 -0.04 3.23 3.16 2z5xA1 TRP 116 HB3 -0.07 0.02 0.00 -0.04 3.23 3.14 2z5xA1 TRP 116 HD1 -0.11 0.06 -0.08 -0.04 7.22 7.05 2z5xA1 TRP 116 HE1 -0.01 0.08 -0.03 -0.04 10.20 10.20 2z5xA1 TRP 116 HE3 -0.08 -0.03 0.04 -0.04 7.59 7.48 2z5xA1 TRP 116 HZ2 -0.00 0.03 -0.01 -0.04 7.44 7.42 2z5xA1 TRP 116 HZ3 -0.08 -0.01 0.01 -0.04 7.13 7.00 2z5xA1 TRP 116 HH2 -0.04 0.00 -0.00 -0.04 7.19 7.11 2z5xA1 ASN 117 H 0.06 0.02 0.01 -0.55 8.53 8.07 2z5xA1 ASN 117 HA 0.08 0.19 0.45 -0.75 4.76 4.72 2z5xA1 ASN 117 HB2 0.02 0.11 0.15 -0.04 2.88 3.12 2z5xA1 ASN 117 HB3 -0.01 -0.11 0.15 -0.04 2.79 2.79 2z5xA1 ASN 117 HD21 0.06 0.04 0.05 -0.04 7.03 7.13 2z5xA1 ASN 117 HD22 0.02 0.08 0.06 -0.04 7.74 7.86 2z5xA1 PRO 118 HA 0.01 0.17 0.38 -0.51 4.44 4.49 2z5xA1 PRO 118 HB2 0.01 -0.01 0.03 -0.04 2.28 2.27 2z5xA1 PRO 118 HB3 -0.02 0.08 0.13 -0.04 2.02 2.16 2z5xA1 PRO 118 HG2 0.02 0.04 0.12 -0.04 2.03 2.17 2z5xA1 PRO 118 HG3 0.02 0.13 0.15 -0.04 2.03 2.29 2z5xA1 PRO 118 HD2 0.04 0.01 0.24 -0.04 3.68 3.93 2z5xA1 PRO 118 HD3 0.07 0.22 0.28 -0.04 3.65 4.17 2z5xA1 ILE 119 H 0.06 0.12 -0.14 -0.55 8.25 7.74 2z5xA1 ILE 119 HA 0.04 0.18 0.53 -0.75 4.18 4.18 2z5xA1 ILE 119 HB 0.16 -0.05 0.08 -0.04 1.89 2.04 2z5xA1 ILE 119 HG12 0.04 -0.02 0.04 -0.04 1.49 1.51 2z5xA1 ILE 119 HG13 0.06 0.06 0.03 -0.04 1.21 1.31 2z5xA1 ILE 119 HG23 0.20 -0.00 -0.11 -0.04 0.93 0.97 2z5xA1 ILE 119 HD13 -0.04 0.03 0.01 -0.04 0.88 0.83 2z5xA1 ALA 120 H 0.06 0.09 -0.11 -0.55 8.40 7.89 2z5xA1 ALA 120 HA 0.01 -0.05 0.54 -0.75 4.34 4.08 2z5xA1 ALA 120 HB3 -0.06 0.04 0.09 -0.04 1.41 1.44 2z5xA1 TYR 121 H 0.06 0.53 -0.41 -0.55 8.29 7.92 2z5xA1 TYR 121 HA -0.16 -0.01 0.30 -0.75 4.56 3.93 2z5xA1 TYR 121 HB2 -0.19 0.24 -0.05 -0.04 3.06 3.02 2z5xA1 TYR 121 HB3 -0.12 0.13 0.09 -0.04 2.98 3.04 2z5xA1 TYR 121 HD2 -0.21 0.08 -0.11 -0.04 7.15 6.88 2z5xA1 TYR 121 HE2 -0.10 0.01 -0.05 -0.04 6.85 6.67 2z5xA1 LEU 122 H 0.08 0.41 -0.08 -0.55 8.37 8.23 2z5xA1 LEU 122 HA -0.02 0.10 0.42 -0.75 4.35 4.10 2z5xA1 LEU 122 HB2 0.00 -0.02 0.15 -0.04 1.64 1.73 2z5xA1 LEU 122 HB3 -0.02 0.14 0.05 -0.04 1.64 1.77 2z5xA1 LEU 122 HG 0.05 0.14 0.15 -0.04 1.64 1.94 2z5xA1 LEU 122 HD13 -0.01 -0.01 -0.03 -0.04 0.93 0.84 2z5xA1 LEU 122 HD23 0.06 0.08 0.05 -0.04 0.89 1.03 2z5xA1 ASP 123 H -0.05 0.35 -0.48 -0.55 8.40 7.67 2z5xA1 ASP 123 HA -0.09 -0.04 0.33 -0.75 4.63 4.08 2z5xA1 ASP 123 HB2 0.03 0.12 0.23 -0.04 2.71 3.05 2z5xA1 ASP 123 HB3 -0.07 0.07 0.24 -0.04 2.70 2.90 2z5xA1 TYR 124 H -0.11 0.67 0.11 -0.55 8.29 8.41 2z5xA1 TYR 124 HA -0.67 -0.00 0.47 -0.75 4.56 3.60 2z5xA1 TYR 124 HB2 -0.33 0.03 0.14 -0.04 3.06 2.86 2z5xA1 TYR 124 HB3 -0.50 0.09 0.19 -0.04 2.98 2.72 2z5xA1 TYR 124 HD2 -0.30 -0.06 -0.06 -0.04 7.15 6.69 2z5xA1 TYR 124 HE2 -0.38 0.00 -0.10 -0.04 6.85 6.33 2z5xA1 ASN 125 H -0.41 0.69 -0.05 -0.55 8.53 8.22 2z5xA1 ASN 125 HA -0.21 -0.02 0.34 -0.75 4.76 4.10 2z5xA1 ASN 125 HB2 -0.69 -0.00 0.11 -0.04 2.88 2.26 2z5xA1 ASN 125 HB3 -0.26 0.13 0.10 -0.04 2.79 2.73 2z5xA1 ASN 125 HD21 -0.04 0.42 0.02 -0.04 7.03 7.38 2z5xA1 ASN 125 HD22 -0.08 0.03 -0.24 -0.04 7.74 7.41 2z5xA1 ASN 126 H -0.25 0.45 -0.38 -0.55 8.53 7.80 2z5xA1 ASN 126 HA -0.17 0.10 0.32 -0.75 4.76 4.25 2z5xA1 ASN 126 HB2 -0.13 0.06 0.11 -0.04 2.88 2.88 2z5xA1 ASN 126 HB3 -0.18 0.10 0.19 -0.04 2.79 2.86 2z5xA1 ASN 126 HD21 -0.12 -0.01 0.00 -0.04 7.03 6.87 2z5xA1 ASN 126 HD22 -0.15 0.08 -0.08 -0.04 7.74 7.55 2z5xA1 LEU 127 H -0.49 0.39 -0.26 -0.55 8.37 7.46 2z5xA1 LEU 127 HA -0.38 0.01 0.45 -0.75 4.35 3.68 2z5xA1 LEU 127 HB2 -0.56 -0.04 0.07 -0.04 1.64 1.07 2z5xA1 LEU 127 HB3 -1.08 0.15 0.29 -0.04 1.64 0.97 2z5xA1 LEU 127 HG -1.38 0.00 -0.30 -0.04 1.64 -0.08 2z5xA1 LEU 127 HD13 -0.43 -0.02 0.00 -0.04 0.93 0.44 2z5xA1 LEU 127 HD23 -1.36 -0.02 -0.03 -0.04 0.89 -0.56 2z5xA1 TRP 128 H -0.72 0.52 -0.06 -0.55 7.97 7.16 2z5xA1 TRP 128 HA -0.37 0.02 0.33 -0.75 4.62 3.85 2z5xA1 TRP 128 HB2 -0.45 0.10 0.07 -0.04 3.23 2.91 2z5xA1 TRP 128 HB3 -0.44 -0.09 0.02 -0.04 3.23 2.68 2z5xA1 TRP 128 HD1 -0.76 -0.01 -0.11 -0.04 7.22 6.30 2z5xA1 TRP 128 HE1 -2.26 -0.01 -0.10 -0.04 10.20 7.78 2z5xA1 TRP 128 HE3 -0.62 -0.04 -0.06 -0.04 7.59 6.83 2z5xA1 TRP 128 HZ2 -0.36 0.01 -0.08 -0.04 7.44 6.97 2z5xA1 TRP 128 HZ3 -1.50 0.01 -0.06 -0.04 7.13 5.54 2z5xA1 TRP 128 HH2 -0.07 0.03 -0.12 -0.04 7.19 7.00 2z5xA1 ARG 129 H -0.15 0.50 -0.16 -0.55 8.46 8.09 2z5xA1 ARG 129 HA -0.17 -0.02 0.39 -0.75 4.34 3.80 2z5xA1 ARG 129 HB2 -0.17 0.04 0.10 -0.04 1.90 1.84 2z5xA1 ARG 129 HB3 -0.15 0.08 0.18 -0.04 1.80 1.86 2z5xA1 ARG 129 HG2 -0.11 -0.06 -0.15 -0.04 1.67 1.30 2z5xA1 ARG 129 HG3 -0.14 -0.07 0.04 -0.04 1.67 1.45 2z5xA1 ARG 129 HD2 -0.10 0.04 0.05 -0.04 3.22 3.17 2z5xA1 ARG 129 HD3 -0.11 0.19 0.03 -0.04 3.22 3.29 2z5xA1 THR 130 H -0.17 0.54 -0.24 -0.55 8.28 7.86 2z5xA1 THR 130 HA -0.11 0.01 0.52 -0.75 4.39 4.05 2z5xA1 THR 130 HB -0.19 0.06 0.18 -0.04 4.32 4.34 2z5xA1 THR 130 HG23 -0.15 -0.03 -0.08 -0.04 1.22 0.93 2z5xA1 ILE 131 H -0.14 0.70 0.04 -0.55 8.25 8.31 2z5xA1 ILE 131 HA -0.10 -0.00 0.60 -0.75 4.18 3.92 2z5xA1 ILE 131 HB 0.02 0.08 0.17 -0.04 1.89 2.12 2z5xA1 ILE 131 HG12 0.01 -0.06 0.05 -0.04 1.49 1.45 2z5xA1 ILE 131 HG13 -0.13 0.15 0.12 -0.04 1.21 1.31 2z5xA1 ILE 131 HG23 0.07 -0.02 -0.15 -0.04 0.93 0.79 2z5xA1 ILE 131 HD13 0.05 -0.03 -0.05 -0.04 0.88 0.82 2z5xA1 ASP 132 H -0.06 0.48 -0.25 -0.55 8.40 8.02 2z5xA1 ASP 132 HA -0.06 0.02 0.37 -0.75 4.63 4.20 2z5xA1 ASP 132 HB2 -0.09 0.11 0.19 -0.04 2.71 2.88 2z5xA1 ASP 132 HB3 -0.05 0.01 0.05 -0.04 2.70 2.67 2z5xA1 ASN 133 H -0.08 0.86 0.13 -0.55 8.53 8.90 2z5xA1 ASN 133 HA -0.03 0.03 0.52 -0.75 4.76 4.54 2z5xA1 ASN 133 HB2 -0.06 0.01 0.16 -0.04 2.88 2.95 2z5xA1 ASN 133 HB3 -0.01 -0.05 0.01 -0.04 2.79 2.69 2z5xA1 ASN 133 HD21 -0.07 0.00 0.00 -0.04 7.03 6.92 2z5xA1 ASN 133 HD22 -0.06 -0.04 -0.03 -0.04 7.74 7.57 2z5xA1 MET 134 H -0.10 0.69 -0.02 -0.55 8.47 8.49 2z5xA1 MET 134 HA 0.08 -0.03 0.54 -0.75 4.52 4.36 2z5xA1 MET 134 HB2 -0.29 0.17 0.17 -0.04 2.15 2.15 2z5xA1 MET 134 HB3 -0.79 -0.09 -0.00 -0.04 2.03 1.10 2z5xA1 MET 134 HG2 -0.28 -0.07 0.03 -0.04 2.63 2.26 2z5xA1 MET 134 HG3 -0.18 0.04 0.07 -0.04 2.56 2.45 2z5xA1 MET 134 HE3 -1.52 -0.02 -0.05 -0.04 2.10 0.46 2z5xA1 GLY 135 H -0.06 0.54 -0.24 -0.55 8.43 8.12 2z5xA1 GLY 135 HA2 0.04 -0.03 0.36 -0.51 4.01 3.87 2z5xA1 GLY 135 HA3 -0.05 0.05 0.34 -0.51 4.01 3.84 2z5xA1 LYS 136 H 0.02 0.37 -0.37 -0.55 8.42 7.89 2z5xA1 LYS 136 HA -0.01 0.01 0.20 -0.75 4.32 3.77 2z5xA1 LYS 136 HB2 0.02 0.21 0.21 -0.04 1.87 2.27 2z5xA1 LYS 136 HB3 0.01 -0.07 0.04 -0.04 1.79 1.72 2z5xA1 LYS 136 HG2 -0.02 -0.06 0.04 -0.04 1.46 1.38 2z5xA1 LYS 136 HG3 -0.02 0.16 0.08 -0.04 1.46 1.63 2z5xA1 LYS 136 HD2 -0.02 -0.05 -0.00 -0.04 1.69 1.57 2z5xA1 LYS 136 HD3 -0.01 -0.03 0.04 -0.04 1.68 1.64 2z5xA1 LYS 136 HE2 -0.02 -0.00 -0.01 -0.04 2.99 2.92 2z5xA1 LYS 136 HE3 -0.03 -0.04 -0.07 -0.04 2.99 2.82 2z5xA1 GLU 137 H 0.15 0.31 -0.39 -0.55 8.60 8.13 2z5xA1 GLU 137 HA 0.05 0.03 0.47 -0.75 4.29 4.09 2z5xA1 GLU 137 HB2 0.19 -0.04 0.09 -0.04 2.09 2.29 2z5xA1 GLU 137 HB3 0.38 0.29 0.08 -0.04 1.99 2.69 2z5xA1 GLU 137 HG2 0.02 -0.03 -0.20 -0.04 2.34 2.09 2z5xA1 GLU 137 HG3 -0.01 -0.03 0.17 -0.04 2.34 2.42 2z5xA1 ILE 138 H 0.12 0.71 -0.29 -0.55 8.25 8.23 2z5xA1 ILE 138 HA 0.06 0.04 0.61 -0.75 4.18 4.14 2z5xA1 ILE 138 HB 0.18 0.09 0.09 -0.04 1.89 2.21 2z5xA1 ILE 138 HG12 0.36 -0.10 -0.10 -0.04 1.49 1.61 2z5xA1 ILE 138 HG13 0.39 0.03 -0.09 -0.04 1.21 1.50 2z5xA1 ILE 138 HG23 0.21 0.03 -0.09 -0.04 0.93 1.04 2z5xA1 ILE 138 HD13 0.31 -0.01 -0.17 -0.04 0.88 0.98 2z5xA1 PRO 139 HA -0.06 0.07 0.54 -0.51 4.44 4.48 2z5xA1 PRO 139 HB2 -0.27 -0.20 -0.18 -0.04 2.28 1.59 2z5xA1 PRO 139 HB3 -0.15 0.03 -0.00 -0.04 2.02 1.85 2z5xA1 PRO 139 HG2 -0.20 0.06 -0.14 -0.04 2.03 1.71 2z5xA1 PRO 139 HG3 -0.11 0.06 -0.02 -0.04 2.03 1.92 2z5xA1 PRO 139 HD2 -0.11 -0.01 0.13 -0.04 3.68 3.65 2z5xA1 PRO 139 HD3 -0.06 0.52 0.29 -0.04 3.65 4.36 2z5xA1 THR 140 H -0.03 0.15 0.14 -0.55 8.28 8.00 2z5xA1 THR 140 HA 0.27 0.12 0.20 -0.75 4.39 4.22 2z5xA1 THR 140 HB 0.01 -0.02 -0.05 -0.04 4.32 4.22 2z5xA1 THR 140 HG23 -0.14 0.04 0.11 -0.04 1.22 1.18 2z5xA1 ASP 141 H -0.10 -0.01 -0.25 -0.55 8.40 7.50 2z5xA1 ASP 141 HA 0.01 0.31 0.83 -0.75 4.63 5.03 2z5xA1 ASP 141 HB2 -0.19 0.06 0.09 -0.04 2.71 2.63 2z5xA1 ASP 141 HB3 -0.15 -0.02 -0.06 -0.04 2.70 2.43 2z5xA1 ALA 142 H -0.38 0.13 -0.51 -0.55 8.40 7.09 2z5xA1 ALA 142 HA -2.13 0.20 0.61 -0.75 4.34 2.26 2z5xA1 ALA 142 HB3 -0.58 0.01 -0.02 -0.04 1.41 0.78 2z5xA1 PRO 143 HA -0.25 0.10 0.24 -0.51 4.44 4.02 2z5xA1 PRO 143 HB2 -0.31 -0.08 -0.18 -0.04 2.28 1.67 2z5xA1 PRO 143 HB3 -0.55 0.09 -0.01 -0.04 2.02 1.51 2z5xA1 PRO 143 HG2 -0.46 -0.05 -0.07 -0.04 2.03 1.41 2z5xA1 PRO 143 HG3 -1.62 0.13 -0.05 -0.04 2.03 0.44 2z5xA1 PRO 143 HD2 -1.16 0.18 -0.28 -0.04 3.68 2.38 2z5xA1 PRO 143 HD3 -0.61 0.35 -0.28 -0.04 3.65 3.07 2z5xA1 TRP 144 H -0.55 0.17 -0.42 -0.55 7.97 6.62 2z5xA1 TRP 144 HA -0.05 -0.04 0.29 -0.75 4.62 4.06 2z5xA1 TRP 144 HB2 -0.05 0.03 0.00 -0.04 3.23 3.17 2z5xA1 TRP 144 HB3 -0.08 0.05 -0.10 -0.04 3.23 3.06 2z5xA1 TRP 144 HD1 -0.05 0.01 -0.26 -0.04 7.22 6.88 2z5xA1 TRP 144 HE1 -0.04 0.02 -0.04 -0.04 10.20 10.10 2z5xA1 TRP 144 HE3 -0.19 -0.07 -0.18 -0.04 7.59 7.10 2z5xA1 TRP 144 HZ2 -0.03 0.03 0.08 -0.04 7.44 7.48 2z5xA1 TRP 144 HZ3 -0.17 0.06 -0.09 -0.04 7.13 6.89 2z5xA1 TRP 144 HH2 -0.03 0.08 0.06 -0.04 7.19 7.26 2z5xA1 GLU 145 H -0.60 0.77 -0.39 -0.55 8.60 7.83 2z5xA1 GLU 145 HA 0.00 0.09 0.52 -0.75 4.29 4.15 2z5xA1 GLU 145 HB2 -0.39 0.28 0.11 -0.04 2.09 2.05 2z5xA1 GLU 145 HB3 -0.14 -0.06 0.07 -0.04 1.99 1.82 2z5xA1 GLU 145 HG2 0.04 -0.01 0.02 -0.04 2.34 2.35 2z5xA1 GLU 145 HG3 0.02 -0.05 -0.06 -0.04 2.34 2.21 2z5xA1 ALA 146 H -0.13 0.40 -0.32 -0.55 8.40 7.79 2z5xA1 ALA 146 HA -0.11 0.18 0.51 -0.75 4.34 4.16 2z5xA1 ALA 146 HB3 -0.07 -0.04 0.00 -0.04 1.41 1.26 2z5xA1 GLN 147 H -0.18 0.24 0.21 -0.55 8.47 8.19 2z5xA1 GLN 147 HA -0.23 0.12 0.47 -0.75 4.36 3.97 2z5xA1 GLN 147 HB2 -0.21 0.08 0.22 -0.04 2.15 2.20 2z5xA1 GLN 147 HB3 -0.53 -0.07 0.10 -0.04 2.02 1.48 2z5xA1 GLN 147 HG2 -0.28 0.00 0.09 -0.04 2.40 2.17 2z5xA1 GLN 147 HG3 -0.18 0.04 0.08 -0.04 2.39 2.29 2z5xA1 GLN 147 HE21 -0.17 -0.01 -0.01 -0.04 6.97 6.73 2z5xA1 GLN 147 HE22 -0.22 0.00 -0.00 -0.04 7.69 7.43 2z5xA1 HIS 148 H -0.60 0.12 -0.16 -0.55 8.41 7.23 2z5xA1 HIS 148 HA -0.41 0.19 0.68 -0.75 4.63 4.33 2z5xA1 HIS 148 HB2 -2.52 0.06 0.01 -0.04 3.26 0.78 2z5xA1 HIS 148 HB3 -1.38 -0.11 0.15 -0.04 3.20 1.82 2z5xA1 HIS 148 HD2 -0.20 -0.02 -0.01 -0.04 6.97 6.69 2z5xA1 HIS 148 HE1 -0.03 0.04 -0.02 -0.04 7.75 7.70 2z5xA1 ALA 149 H -0.22 0.77 -0.61 -0.55 8.40 7.79 2z5xA1 ALA 149 HA -0.00 -0.05 0.06 -0.75 4.34 3.60 2z5xA1 ALA 149 HB3 0.00 0.01 0.02 -0.04 1.41 1.40 2z5xA1 ASP 150 H -0.07 0.19 -0.31 -0.55 8.40 7.66 2z5xA1 ASP 150 HA 0.03 0.06 0.24 -0.75 4.63 4.20 2z5xA1 ASP 150 HB2 -0.03 0.02 0.11 -0.04 2.71 2.76 2z5xA1 ASP 150 HB3 0.00 0.02 -0.02 -0.04 2.70 2.67 2z5xA1 LYS 151 H -0.03 0.12 -0.07 -0.55 8.42 7.88 2z5xA1 LYS 151 HA 0.08 0.07 0.49 -0.75 4.32 4.21 2z5xA1 LYS 151 HB2 0.04 0.01 0.10 -0.04 1.87 1.98 2z5xA1 LYS 151 HB3 -0.07 0.07 0.14 -0.04 1.79 1.89 2z5xA1 LYS 151 HG2 0.30 0.00 -0.14 -0.04 1.46 1.58 2z5xA1 LYS 151 HG3 0.22 -0.03 -0.15 -0.04 1.46 1.46 2z5xA1 LYS 151 HD2 0.08 0.00 -0.00 -0.04 1.69 1.74 2z5xA1 LYS 151 HD3 0.07 0.01 -0.01 -0.04 1.68 1.71 2z5xA1 LYS 151 HE2 0.16 0.01 -0.04 -0.04 2.99 3.08 2z5xA1 LYS 151 HE3 0.16 -0.02 -0.06 -0.04 2.99 3.03 2z5xA1 TRP 152 H 0.09 0.60 -0.12 -0.55 7.97 7.99 2z5xA1 TRP 152 HA 0.06 0.04 0.34 -0.75 4.62 4.32 2z5xA1 TRP 152 HB2 0.10 0.08 -0.08 -0.04 3.23 3.29 2z5xA1 TRP 152 HB3 0.10 -0.10 -0.16 -0.04 3.23 3.03 2z5xA1 TRP 152 HD1 0.01 -0.04 -0.20 -0.04 7.22 6.95 2z5xA1 TRP 152 HE1 -0.20 0.01 -0.05 -0.04 10.20 9.92 2z5xA1 TRP 152 HE3 0.08 -0.00 -0.15 -0.04 7.59 7.48 2z5xA1 TRP 152 HZ2 -0.21 0.01 -0.02 -0.04 7.44 7.18 2z5xA1 TRP 152 HZ3 0.06 0.18 -0.08 -0.04 7.13 7.25 2z5xA1 TRP 152 HH2 0.05 0.07 0.05 -0.04 7.19 7.33 2z5xA1 ASP 153 H 0.22 0.65 -0.18 -0.55 8.40 8.54 2z5xA1 ASP 153 HA 0.24 -0.17 0.53 -0.75 4.63 4.47 2z5xA1 ASP 153 HB2 0.17 0.22 0.15 -0.04 2.71 3.20 2z5xA1 ASP 153 HB3 0.12 0.15 0.07 -0.04 2.70 3.00 2z5xA1 LYS 154 H 0.14 0.41 -0.20 -0.55 8.42 8.21 2z5xA1 LYS 154 HA 0.09 0.01 0.64 -0.75 4.32 4.31 2z5xA1 LYS 154 HB2 0.10 0.17 0.20 -0.04 1.87 2.30 2z5xA1 LYS 154 HB3 0.08 -0.06 -0.01 -0.04 1.79 1.76 2z5xA1 LYS 154 HG2 0.05 -0.03 0.07 -0.04 1.46 1.51 2z5xA1 LYS 154 HG3 0.06 0.07 0.08 -0.04 1.46 1.63 2z5xA1 LYS 154 HD2 0.05 -0.02 0.01 -0.04 1.69 1.69 2z5xA1 LYS 154 HD3 0.04 -0.02 0.00 -0.04 1.68 1.66 2z5xA1 LYS 154 HE2 0.02 -0.02 -0.04 -0.04 2.99 2.92 2z5xA1 LYS 154 HE3 0.03 0.05 -0.08 -0.04 2.99 2.95 2z5xA1 MET 155 H 0.17 0.21 -0.23 -0.55 8.47 8.08 2z5xA1 MET 155 HA 0.09 0.05 0.67 -0.75 4.52 4.58 2z5xA1 MET 155 HB2 0.13 0.01 0.11 -0.04 2.15 2.36 2z5xA1 MET 155 HB3 0.07 0.03 0.07 -0.04 2.03 2.16 2z5xA1 MET 155 HG2 0.09 -0.01 0.01 -0.04 2.63 2.67 2z5xA1 MET 155 HG3 0.16 0.19 0.07 -0.04 2.56 2.94 2z5xA1 MET 155 HE3 0.02 -0.02 -0.15 -0.04 2.10 1.91 2z5xA1 THR 156 H 0.07 0.09 0.25 -0.55 8.28 8.14 2z5xA1 THR 156 HA 0.10 0.44 0.98 -0.75 4.39 5.15 2z5xA1 THR 156 HB 0.04 0.16 0.31 -0.04 4.32 4.79 2z5xA1 THR 156 HG23 0.07 0.06 0.12 -0.04 1.22 1.43 2z5xA1 MET 157 H 0.06 0.63 0.17 -0.55 8.47 8.78 2z5xA1 MET 157 HA 0.02 0.02 0.65 -0.75 4.52 4.46 2z5xA1 MET 157 HB2 -0.06 0.16 0.13 -0.04 2.15 2.34 2z5xA1 MET 157 HB3 -0.15 -0.04 -0.10 -0.04 2.03 1.70 2z5xA1 MET 157 HG2 0.13 0.01 -0.09 -0.04 2.63 2.65 2z5xA1 MET 157 HG3 -0.39 0.05 -0.04 -0.04 2.56 2.14 2z5xA1 MET 157 HE3 0.17 -0.01 0.08 -0.04 2.10 2.30 2z5xA1 LYS 158 H -0.02 0.47 -0.32 -0.55 8.42 8.00 2z5xA1 LYS 158 HA 0.07 0.09 0.62 -0.75 4.32 4.35 2z5xA1 LYS 158 HB2 -0.11 -0.11 -0.16 -0.04 1.87 1.45 2z5xA1 LYS 158 HB3 -0.01 0.04 -0.04 -0.04 1.79 1.74 2z5xA1 LYS 158 HG2 -0.02 0.06 -0.20 -0.04 1.46 1.26 2z5xA1 LYS 158 HG3 -0.10 -0.01 0.01 -0.04 1.46 1.33 2z5xA1 LYS 158 HD2 -0.25 -0.10 -0.00 -0.04 1.69 1.30 2z5xA1 LYS 158 HD3 -0.11 0.05 -0.02 -0.04 1.68 1.57 2z5xA1 LYS 158 HE2 -0.62 -0.01 -0.01 -0.04 2.99 2.31 2z5xA1 LYS 158 HE3 -0.18 0.03 -0.01 -0.04 2.99 2.79 2z5xA1 GLU 159 H 0.03 0.13 -0.21 -0.55 8.60 8.00 2z5xA1 GLU 159 HA 0.03 0.07 0.36 -0.75 4.29 3.99 2z5xA1 GLU 159 HB2 0.04 0.19 0.20 -0.04 2.09 2.48 2z5xA1 GLU 159 HB3 0.03 0.04 -0.03 -0.04 1.99 1.99 2z5xA1 GLU 159 HG2 0.03 0.04 0.06 -0.04 2.34 2.43 2z5xA1 GLU 159 HG3 0.04 -0.08 0.14 -0.04 2.34 2.39 2z5xA1 LEU 160 H 0.01 0.42 -0.12 -0.55 8.37 8.14 2z5xA1 LEU 160 HA -0.04 0.08 0.44 -0.75 4.35 4.08 2z5xA1 LEU 160 HB2 -0.05 0.02 0.09 -0.04 1.64 1.66 2z5xA1 LEU 160 HB3 -0.04 0.05 0.12 -0.04 1.64 1.72 2z5xA1 LEU 160 HG -0.13 -0.00 -0.20 -0.04 1.64 1.26 2z5xA1 LEU 160 HD13 -0.19 -0.00 -0.00 -0.04 0.93 0.70 2z5xA1 LEU 160 HD23 -0.25 0.00 -0.04 -0.04 0.89 0.56 2z5xA1 ILE 161 H 0.00 0.61 -0.11 -0.55 8.25 8.21 2z5xA1 ILE 161 HA -0.10 0.00 0.46 -0.75 4.18 3.79 2z5xA1 ILE 161 HB 0.16 0.09 0.23 -0.04 1.89 2.32 2z5xA1 ILE 161 HG12 -0.09 -0.06 0.03 -0.04 1.49 1.34 2z5xA1 ILE 161 HG13 -0.03 0.03 0.09 -0.04 1.21 1.26 2z5xA1 ILE 161 HG23 -0.18 0.00 -0.05 -0.04 0.93 0.66 2z5xA1 ILE 161 HD13 0.09 -0.03 -0.19 -0.04 0.88 0.71 2z5xA1 ASP 162 H 0.06 0.61 -0.14 -0.55 8.40 8.37 2z5xA1 ASP 162 HA -0.01 0.01 0.28 -0.75 4.63 4.15 2z5xA1 ASP 162 HB2 0.04 0.08 0.09 -0.04 2.71 2.88 2z5xA1 ASP 162 HB3 0.03 -0.02 0.03 -0.04 2.70 2.69 2z5xA1 LYS 163 H -0.01 0.30 -0.46 -0.55 8.42 7.69 2z5xA1 LYS 163 HA 0.00 0.06 0.69 -0.75 4.32 4.33 2z5xA1 LYS 163 HB2 0.00 -0.06 0.08 -0.04 1.87 1.85 2z5xA1 LYS 163 HB3 -0.02 0.03 0.18 -0.04 1.79 1.94 2z5xA1 LYS 163 HG2 -0.03 -0.03 -0.13 -0.04 1.46 1.23 2z5xA1 LYS 163 HG3 -0.02 -0.00 -0.11 -0.04 1.46 1.29 2z5xA1 LYS 163 HD2 0.01 -0.00 0.00 -0.04 1.69 1.66 2z5xA1 LYS 163 HD3 0.01 -0.04 -0.03 -0.04 1.68 1.58 2z5xA1 LYS 163 HE2 0.00 -0.03 -0.02 -0.04 2.99 2.91 2z5xA1 LYS 163 HE3 0.00 0.01 0.02 -0.04 2.99 2.98 2z5xA1 ILE 164 H -0.06 0.60 -0.08 -0.55 8.25 8.16 2z5xA1 ILE 164 HA -0.07 -0.01 0.46 -0.75 4.18 3.80 2z5xA1 ILE 164 HB -0.14 0.10 0.24 -0.04 1.89 2.05 2z5xA1 ILE 164 HG12 -0.13 -0.06 0.00 -0.04 1.49 1.26 2z5xA1 ILE 164 HG13 -0.11 0.10 0.02 -0.04 1.21 1.18 2z5xA1 ILE 164 HG23 -0.19 -0.05 -0.15 -0.04 0.93 0.50 2z5xA1 ILE 164 HD13 -0.18 -0.03 -0.08 -0.04 0.88 0.56 2z5xA1 CYS 165 H -0.08 0.67 0.04 -0.55 8.50 8.58 2z5xA1 CYS 165 HA -0.08 -0.01 0.38 -0.75 4.58 4.11 2z5xA1 CYS 165 HB2 -0.15 0.09 -0.01 -0.04 2.97 2.86 2z5xA1 CYS 165 HB3 -0.15 -0.16 -0.13 -0.04 2.97 2.49 2z5xA1 TRP 166 H 0.13 -0.01 0.22 -0.55 7.97 7.76 2z5xA1 TRP 166 HA -0.06 0.28 0.74 -0.75 4.62 4.82 2z5xA1 TRP 166 HB2 -0.06 0.06 0.08 -0.04 3.23 3.28 2z5xA1 TRP 166 HB3 -0.06 -0.14 0.15 -0.04 3.23 3.13 2z5xA1 TRP 166 HD1 -0.03 0.09 0.04 -0.04 7.22 7.28 2z5xA1 TRP 166 HE1 -0.02 0.04 -0.00 -0.04 10.20 10.17 2z5xA1 TRP 166 HE3 -0.05 -0.07 -0.09 -0.04 7.59 7.33 2z5xA1 TRP 166 HZ2 -0.02 0.05 -0.01 -0.04 7.44 7.41 2z5xA1 TRP 166 HZ3 -0.03 -0.07 -0.04 -0.04 7.13 6.95 2z5xA1 TRP 166 HH2 -0.02 0.02 -0.01 -0.04 7.19 7.14 2z5xA1 THR 167 H 0.04 -0.03 0.09 -0.55 8.28 7.84 2z5xA1 THR 167 HA -0.65 0.21 0.46 -0.75 4.39 3.66 2z5xA1 THR 167 HB -0.18 -0.03 0.18 -0.04 4.32 4.24 2z5xA1 THR 167 HG23 0.20 0.01 -0.02 -0.04 1.22 1.37 2z5xA1 LYS 168 H -0.34 0.15 0.20 -0.55 8.42 7.88 2z5xA1 LYS 168 HA -0.20 0.21 0.57 -0.75 4.32 4.14 2z5xA1 LYS 168 HB2 -0.21 -0.03 0.16 -0.04 1.87 1.76 2z5xA1 LYS 168 HB3 -0.12 0.03 -0.10 -0.04 1.79 1.55 2z5xA1 LYS 168 HG2 -0.11 0.01 0.06 -0.04 1.46 1.37 2z5xA1 LYS 168 HG3 -0.20 0.07 0.04 -0.04 1.46 1.33 2z5xA1 LYS 168 HD2 -0.13 -0.00 0.03 -0.04 1.69 1.55 2z5xA1 LYS 168 HD3 -0.08 -0.01 0.01 -0.04 1.68 1.56 2z5xA1 LYS 168 HE2 -0.06 0.00 0.01 -0.04 2.99 2.91 2z5xA1 LYS 168 HE3 -0.09 0.03 0.01 -0.04 2.99 2.90 2z5xA1 THR 169 H -0.14 0.03 -0.01 -0.55 8.28 7.62 2z5xA1 THR 169 HA -0.05 0.15 0.49 -0.75 4.39 4.23 2z5xA1 THR 169 HB -0.10 0.11 -0.03 -0.04 4.32 4.26 2z5xA1 THR 169 HG23 -0.08 0.03 0.05 -0.04 1.22 1.18 2z5xA1 ALA 170 H -0.11 -0.01 -0.24 -0.55 8.40 7.50 2z5xA1 ALA 170 HA 0.02 0.11 0.27 -0.75 4.34 3.98 2z5xA1 ALA 170 HB3 -0.16 0.03 -0.04 -0.04 1.41 1.20 2z5xA1 ARG 171 H -0.22 0.36 -0.22 -0.55 8.46 7.83 2z5xA1 ARG 171 HA -0.42 0.04 0.48 -0.75 4.34 3.69 2z5xA1 ARG 171 HB2 -0.27 0.07 0.10 -0.04 1.90 1.76 2z5xA1 ARG 171 HB3 -0.56 -0.01 -0.12 -0.04 1.80 1.07 2z5xA1 ARG 171 HG2 -0.20 -0.07 -0.12 -0.04 1.67 1.24 2z5xA1 ARG 171 HG3 -0.20 -0.03 -0.07 -0.04 1.67 1.32 2z5xA1 ARG 171 HD2 -0.18 0.08 -0.15 -0.04 3.22 2.93 2z5xA1 ARG 171 HD3 -0.10 -0.08 -0.04 -0.04 3.22 2.96 2z5xA1 ARG 172 H -0.24 0.56 -0.15 -0.55 8.46 8.09 2z5xA1 ARG 172 HA -0.24 -0.00 0.44 -0.75 4.34 3.78 2z5xA1 ARG 172 HB2 -0.03 0.14 0.24 -0.04 1.90 2.21 2z5xA1 ARG 172 HB3 0.06 -0.02 -0.05 -0.04 1.80 1.74 2z5xA1 ARG 172 HG2 0.03 -0.03 0.03 -0.04 1.67 1.65 2z5xA1 ARG 172 HG3 0.07 -0.05 0.06 -0.04 1.67 1.72 2z5xA1 ARG 172 HD2 -0.05 -0.07 0.03 -0.04 3.22 3.09 2z5xA1 ARG 172 HD3 -0.08 0.47 0.13 -0.04 3.22 3.70 2z5xA1 PHE 173 H 0.09 0.55 -0.21 -0.55 8.34 8.22 2z5xA1 PHE 173 HA 0.12 0.04 0.41 -0.75 4.62 4.44 2z5xA1 PHE 173 HB2 0.14 0.04 0.07 -0.04 3.15 3.35 2z5xA1 PHE 173 HB3 0.10 0.06 0.05 -0.04 3.06 3.23 2z5xA1 PHE 173 HD2 0.38 -0.01 -0.09 -0.04 7.28 7.52 2z5xA1 PHE 173 HE2 0.19 0.03 -0.02 -0.04 7.38 7.53 2z5xA1 PHE 173 HZ 0.33 0.09 0.02 -0.04 7.32 7.72 2z5xA1 ALA 174 H -0.11 0.45 -0.23 -0.55 8.40 7.96 2z5xA1 ALA 174 HA 0.09 0.03 0.29 -0.75 4.34 4.00 2z5xA1 ALA 174 HB3 -0.24 0.03 0.13 -0.04 1.41 1.28 2z5xA1 TYR 175 H -0.09 0.41 -0.31 -0.55 8.29 7.75 2z5xA1 TYR 175 HA -0.05 -0.04 0.29 -0.75 4.56 4.01 2z5xA1 TYR 175 HB2 -0.00 0.21 0.17 -0.04 3.06 3.41 2z5xA1 TYR 175 HB3 -0.01 -0.08 0.03 -0.04 2.98 2.88 2z5xA1 TYR 175 HD2 -0.02 -0.04 -0.00 -0.04 7.15 7.04 2z5xA1 TYR 175 HE2 -0.03 -0.01 -0.00 -0.04 6.85 6.77 2z5xA1 LEU 176 H 0.06 0.44 -0.10 -0.55 8.37 8.24 2z5xA1 LEU 176 HA 0.05 -0.00 0.59 -0.75 4.35 4.23 2z5xA1 LEU 176 HB2 -0.02 0.00 0.15 -0.04 1.64 1.73 2z5xA1 LEU 176 HB3 -0.33 0.17 0.20 -0.04 1.64 1.63 2z5xA1 LEU 176 HG -0.05 0.00 -0.17 -0.04 1.64 1.39 2z5xA1 LEU 176 HD13 0.06 -0.01 0.05 -0.04 0.93 0.99 2z5xA1 LEU 176 HD23 -0.04 -0.00 -0.11 -0.04 0.89 0.70 2z5xA1 PHE 177 H -0.01 0.80 -0.00 -0.55 8.34 8.57 2z5xA1 PHE 177 HA 0.01 0.00 0.32 -0.75 4.62 4.20 2z5xA1 PHE 177 HB2 0.14 0.04 0.12 -0.04 3.15 3.40 2z5xA1 PHE 177 HB3 0.16 0.16 0.18 -0.04 3.06 3.52 2z5xA1 PHE 177 HD2 -0.21 0.01 -0.10 -0.04 7.28 6.94 2z5xA1 PHE 177 HE2 -0.12 0.02 -0.08 -0.04 7.38 7.17 2z5xA1 PHE 177 HZ 0.05 -0.04 -0.05 -0.04 7.32 7.25 2z5xA1 VAL 178 H 0.14 0.57 -0.17 -0.55 8.24 8.24 2z5xA1 VAL 178 HA -0.09 -0.00 0.45 -0.75 4.13 3.73 2z5xA1 VAL 178 HB -0.07 0.11 0.19 -0.04 2.12 2.30 2z5xA1 VAL 178 HG13 -0.21 0.02 -0.28 -0.04 0.97 0.46 2z5xA1 VAL 178 HG23 -0.71 -0.01 -0.01 -0.04 0.95 0.18 2z5xA1 ASN 179 H 0.02 0.57 0.04 -0.55 8.53 8.62 2z5xA1 ASN 179 HA -0.03 0.08 0.38 -0.75 4.76 4.44 2z5xA1 ASN 179 HB2 0.05 0.11 0.13 -0.04 2.88 3.13 2z5xA1 ASN 179 HB3 0.02 -0.13 -0.08 -0.04 2.79 2.56 2z5xA1 ASN 179 HD21 -0.04 -0.19 0.02 -0.04 7.03 6.79 2z5xA1 ASN 179 HD22 -0.05 0.36 -0.01 -0.04 7.74 8.00 2z5xA1 ILE 180 H 0.07 0.67 -0.20 -0.55 8.25 8.24 2z5xA1 ILE 180 HA 0.18 -0.03 0.30 -0.75 4.18 3.88 2z5xA1 ILE 180 HB 0.15 0.08 0.03 -0.04 1.89 2.11 2z5xA1 ILE 180 HG12 0.16 -0.04 -0.06 -0.04 1.49 1.51 2z5xA1 ILE 180 HG13 0.13 -0.06 -0.09 -0.04 1.21 1.15 2z5xA1 ILE 180 HG23 0.18 -0.00 -0.11 -0.04 0.93 0.96 2z5xA1 ILE 180 HD13 0.19 -0.00 -0.12 -0.04 0.88 0.91 2z5xA1 ASN 181 H 0.07 0.41 -0.28 -0.55 8.53 8.19 2z5xA1 ASN 181 HA 0.29 0.17 0.56 -0.75 4.76 5.02 2z5xA1 ASN 181 HB2 0.14 0.05 0.08 -0.04 2.88 3.11 2z5xA1 ASN 181 HB3 0.19 -0.05 -0.07 -0.04 2.79 2.82 2z5xA1 ASN 181 HD21 -1.02 -0.05 -0.10 -0.04 7.03 5.81 2z5xA1 ASN 181 HD22 -1.12 0.10 -0.05 -0.04 7.74 6.63 2z5xA1 VAL 182 H 0.11 0.66 0.11 -0.55 8.24 8.56 2z5xA1 VAL 182 HA 0.06 0.23 0.90 -0.75 4.13 4.57 2z5xA1 VAL 182 HB 0.44 -0.02 0.08 -0.04 2.12 2.57 2z5xA1 VAL 182 HG13 -0.42 -0.00 -0.17 -0.04 0.97 0.34 2z5xA1 VAL 182 HG23 0.26 -0.00 -0.06 -0.04 0.95 1.10 2z5xA1 THR 183 H -0.08 0.34 -0.23 -0.55 8.28 7.77 2z5xA1 THR 183 HA -0.12 0.30 0.46 -0.75 4.39 4.27 2z5xA1 THR 183 HB -0.25 0.01 0.29 -0.04 4.32 4.33 2z5xA1 THR 183 HG23 -0.94 0.00 -0.09 -0.04 1.22 0.15 2z5xA1 SER 184 H -0.08 0.28 -0.29 -0.55 8.46 7.82 2z5xA1 SER 184 HA -0.16 -0.01 0.59 -0.75 4.49 4.15 2z5xA1 SER 184 HB2 -0.64 -0.13 0.10 -0.04 3.95 3.24 2z5xA1 SER 184 HB3 -0.36 0.16 0.02 -0.04 3.93 3.71 2z5xA1 GLU 185 H -0.32 0.18 0.16 -0.55 8.60 8.07 2z5xA1 GLU 185 HA -0.15 0.21 0.55 -0.75 4.29 4.14 2z5xA1 GLU 185 HB2 -0.49 0.05 0.18 -0.04 2.09 1.78 2z5xA1 GLU 185 HB3 -0.26 -0.05 0.09 -0.04 1.99 1.73 2z5xA1 GLU 185 HG2 -0.10 -0.07 0.12 -0.04 2.34 2.25 2z5xA1 GLU 185 HG3 0.02 0.08 0.09 -0.04 2.34 2.48 2z5xA1 PRO 186 HA -0.16 0.14 0.40 -0.51 4.44 4.31 2z5xA1 PRO 186 HB2 -0.14 -0.06 -0.09 -0.04 2.28 1.95 2z5xA1 PRO 186 HB3 -0.08 0.11 -0.03 -0.04 2.02 1.97 2z5xA1 PRO 186 HG2 -0.46 0.02 0.11 -0.04 2.03 1.65 2z5xA1 PRO 186 HG3 -0.02 0.08 0.14 -0.04 2.03 2.19 2z5xA1 PRO 186 HD2 -0.15 0.06 0.26 -0.04 3.68 3.80 2z5xA1 PRO 186 HD3 -0.09 0.33 0.28 -0.04 3.65 4.13 2z5xA1 HIS 187 H -0.12 0.14 -0.23 -0.55 8.41 7.66 2z5xA1 HIS 187 HA -0.06 -0.04 0.66 -0.75 4.63 4.44 2z5xA1 HIS 187 HB2 -0.06 0.07 0.15 -0.04 3.26 3.38 2z5xA1 HIS 187 HB3 -0.12 -0.04 0.10 -0.04 3.20 3.10 2z5xA1 HIS 187 HD2 -0.03 0.06 -0.15 -0.04 6.97 6.80 2z5xA1 HIS 187 HE1 -0.07 -0.01 0.02 -0.04 7.75 7.65 2z5xA1 GLU 188 H -0.43 0.43 -0.30 -0.55 8.60 7.76 2z5xA1 GLU 188 HA -0.12 0.16 0.61 -0.75 4.29 4.18 2z5xA1 GLU 188 HB2 -0.53 0.08 0.08 -0.04 2.09 1.69 2z5xA1 GLU 188 HB3 -0.39 0.08 0.06 -0.04 1.99 1.69 2z5xA1 GLU 188 HG2 -0.28 0.09 0.00 -0.04 2.34 2.12 2z5xA1 GLU 188 HG3 -1.01 -0.18 -0.01 -0.04 2.34 1.09 2z5xA1 VAL 189 H -0.06 0.14 -0.17 -0.55 8.24 7.60 2z5xA1 VAL 189 HA 0.14 0.35 0.88 -0.75 4.13 4.75 2z5xA1 VAL 189 HB 0.58 0.05 0.05 -0.04 2.12 2.75 2z5xA1 VAL 189 HG13 -0.21 0.02 -0.28 -0.04 0.97 0.46 2z5xA1 VAL 189 HG23 0.08 -0.03 -0.06 -0.04 0.95 0.90 2z5xA1 SER 190 H 0.33 0.77 0.33 -0.55 8.46 9.34 2z5xA1 SER 190 HA 0.22 0.36 0.72 -0.75 4.49 5.04 2z5xA1 SER 190 HB2 0.29 0.12 -0.16 -0.04 3.95 4.15 2z5xA1 SER 190 HB3 0.51 -0.05 0.16 -0.04 3.93 4.52 2z5xA1 ALA 191 H 0.19 0.64 0.05 -0.55 8.40 8.73 2z5xA1 ALA 191 HA 0.22 0.00 0.54 -0.75 4.34 4.35 2z5xA1 ALA 191 HB3 0.04 0.06 -0.07 -0.04 1.41 1.41 2z5xA1 LEU 192 H 0.30 0.28 -0.31 -0.55 8.37 8.10 2z5xA1 LEU 192 HA 0.39 0.10 0.19 -0.75 4.35 4.28 2z5xA1 LEU 192 HB2 0.36 -0.02 -0.26 -0.04 1.64 1.69 2z5xA1 LEU 192 HB3 0.29 -0.11 -0.03 -0.04 1.64 1.74 2z5xA1 LEU 192 HG 0.21 0.02 -0.46 -0.04 1.64 1.37 2z5xA1 LEU 192 HD13 0.35 0.03 -0.10 -0.04 0.93 1.17 2z5xA1 LEU 192 HD23 0.14 0.04 -0.13 -0.04 0.89 0.91 2z5xA1 TRP 193 H 0.47 0.06 -0.17 -0.55 7.97 7.79 2z5xA1 TRP 193 HA 0.17 0.10 0.44 -0.75 4.62 4.57 2z5xA1 TRP 193 HB2 -0.05 -0.03 0.09 -0.04 3.23 3.20 2z5xA1 TRP 193 HB3 0.25 0.08 0.13 -0.04 3.23 3.65 2z5xA1 TRP 193 HD1 -0.45 0.02 -0.01 -0.04 7.22 6.74 2z5xA1 TRP 193 HE1 0.67 0.10 -0.06 -0.04 10.20 10.87 2z5xA1 TRP 193 HE3 0.33 0.08 -0.03 -0.04 7.59 7.93 2z5xA1 TRP 193 HZ2 0.25 0.16 0.02 -0.04 7.44 7.83 2z5xA1 TRP 193 HZ3 0.23 -0.01 -0.06 -0.04 7.13 7.25 2z5xA1 TRP 193 HH2 -0.02 0.07 -0.03 -0.04 7.19 7.17 2z5xA1 PHE 194 H 0.51 0.56 -0.30 -0.55 8.34 8.56 2z5xA1 PHE 194 HA -0.59 0.08 0.40 -0.75 4.62 3.76 2z5xA1 PHE 194 HB2 0.20 0.03 0.03 -0.04 3.15 3.37 2z5xA1 PHE 194 HB3 0.08 -0.01 0.08 -0.04 3.06 3.18 2z5xA1 PHE 194 HD2 -0.03 0.02 -0.13 -0.04 7.28 7.09 2z5xA1 PHE 194 HE2 0.11 0.02 -0.08 -0.04 7.38 7.39 2z5xA1 PHE 194 HZ 0.17 0.06 -0.16 -0.04 7.32 7.34 2z5xA1 LEU 195 H 0.15 0.68 -0.12 -0.55 8.37 8.53 2z5xA1 LEU 195 HA -0.09 -0.03 0.47 -0.75 4.35 3.94 2z5xA1 LEU 195 HB2 0.08 0.10 0.05 -0.04 1.64 1.84 2z5xA1 LEU 195 HB3 -0.05 -0.01 -0.10 -0.04 1.64 1.44 2z5xA1 LEU 195 HG 0.01 0.14 0.11 -0.04 1.64 1.86 2z5xA1 LEU 195 HD13 -0.54 -0.04 -0.12 -0.04 0.93 0.19 2z5xA1 LEU 195 HD23 -0.08 0.00 0.04 -0.04 0.89 0.81 2z5xA1 TRP 196 H 0.15 0.39 -0.39 -0.55 7.97 7.58 2z5xA1 TRP 196 HA -0.13 0.08 0.47 -0.75 4.62 4.29 2z5xA1 TRP 196 HB2 -0.05 -0.02 0.04 -0.04 3.23 3.16 2z5xA1 TRP 196 HB3 -0.17 0.03 0.16 -0.04 3.23 3.21 2z5xA1 TRP 196 HD1 -0.12 0.01 -0.15 -0.04 7.22 6.92 2z5xA1 TRP 196 HE1 -0.12 0.65 0.29 -0.04 10.20 10.98 2z5xA1 TRP 196 HE3 -0.36 0.04 -0.05 -0.04 7.59 7.18 2z5xA1 TRP 196 HZ2 0.03 0.09 0.07 -0.04 7.44 7.59 2z5xA1 TRP 196 HZ3 0.44 -0.02 -0.09 -0.04 7.13 7.42 2z5xA1 TRP 196 HH2 0.20 0.08 -0.07 -0.04 7.19 7.35 2z5xA1 TYR 197 H -0.26 0.64 -0.05 -0.55 8.29 8.06 2z5xA1 TYR 197 HA -1.01 0.03 0.31 -0.75 4.56 3.13 2z5xA1 TYR 197 HB2 -1.21 0.07 0.11 -0.04 3.06 1.99 2z5xA1 TYR 197 HB3 -1.00 0.03 0.12 -0.04 2.98 2.09 2z5xA1 TYR 197 HD2 -0.08 -0.02 -0.20 -0.04 7.15 6.80 2z5xA1 TYR 197 HE2 0.30 -0.02 -0.09 -0.04 6.85 7.00 2z5xA1 VAL 198 H -0.55 0.52 -0.18 -0.55 8.24 7.49 2z5xA1 VAL 198 HA -0.32 0.06 0.42 -0.75 4.13 3.54 2z5xA1 VAL 198 HB -0.29 0.12 0.06 -0.04 2.12 1.97 2z5xA1 VAL 198 HG13 -0.04 -0.01 -0.38 -0.04 0.97 0.50 2z5xA1 VAL 198 HG23 -0.24 0.01 -0.08 -0.04 0.95 0.60 2z5xA1 LYS 199 H -0.34 0.51 -0.16 -0.55 8.42 7.88 2z5xA1 LYS 199 HA -0.26 -0.09 0.45 -0.75 4.32 3.67 2z5xA1 LYS 199 HB2 -0.18 0.03 0.21 -0.04 1.87 1.89 2z5xA1 LYS 199 HB3 -0.37 0.16 0.22 -0.04 1.79 1.75 2z5xA1 LYS 199 HG2 -0.24 -0.13 -0.09 -0.04 1.46 0.96 2z5xA1 LYS 199 HG3 -0.13 -0.03 -0.09 -0.04 1.46 1.17 2z5xA1 LYS 199 HD2 -0.04 0.14 0.04 -0.04 1.69 1.78 2z5xA1 LYS 199 HD3 -0.25 -0.04 -0.10 -0.04 1.68 1.25 2z5xA1 LYS 199 HE2 -0.06 -0.19 0.03 -0.04 2.99 2.72 2z5xA1 LYS 199 HE3 -0.12 -0.14 -0.05 -0.04 2.99 2.64 2z5xA1 GLN 200 H -0.93 0.79 -0.11 -0.55 8.47 7.67 2z5xA1 GLN 200 HA -0.57 0.06 0.48 -0.75 4.36 3.58 2z5xA1 GLN 200 HB2 -0.66 -0.04 0.18 -0.04 2.15 1.59 2z5xA1 GLN 200 HB3 -1.05 0.05 0.13 -0.04 2.02 1.11 2z5xA1 GLN 200 HG2 -3.34 0.01 -0.11 -0.04 2.40 -1.08 2z5xA1 GLN 200 HG3 -1.50 0.21 0.10 -0.04 2.39 1.16 2z5xA1 GLN 200 HE21 -0.65 0.17 -0.07 -0.04 6.97 6.37 2z5xA1 GLN 200 HE22 -1.45 0.17 0.01 -0.04 7.69 6.37 2z5xA1 CYS 201 H -0.82 0.36 -0.50 -0.55 8.50 6.99 2z5xA1 CYS 201 HA -2.27 0.02 0.82 -0.75 4.58 2.40 2z5xA1 CYS 201 HB2 -0.71 0.10 0.12 -0.04 2.97 2.44 2z5xA1 CYS 201 HB3 -1.43 -0.06 0.15 -0.04 2.97 1.60 2z5xA1 GLY 202 H -0.57 0.53 -0.14 -0.55 8.43 7.70 2z5xA1 GLY 202 HA2 -0.26 -0.04 0.35 -0.51 4.01 3.55 2z5xA1 GLY 202 HA3 -0.30 0.18 0.88 -0.51 4.01 4.26 2z5xA1 GLY 203 H -0.33 0.66 -0.08 -0.55 8.43 8.13 2z5xA1 GLY 203 HA2 -0.12 0.02 0.14 -0.51 4.01 3.54 2z5xA1 GLY 203 HA3 -0.07 0.16 0.88 -0.51 4.01 4.47 2z5xA1 THR 204 H 0.02 0.16 0.07 -0.55 8.28 7.99 2z5xA1 THR 204 HA 0.24 0.11 0.21 -0.75 4.39 4.21 2z5xA1 THR 204 HB -0.14 0.03 -0.07 -0.04 4.32 4.11 2z5xA1 THR 204 HG23 0.13 0.01 0.01 -0.04 1.22 1.33 2z5xA1 THR 205 H 0.11 0.09 -0.10 -0.55 8.28 7.83 2z5xA1 THR 205 HA 0.31 0.09 0.47 -0.75 4.39 4.51 2z5xA1 THR 205 HB 0.07 0.04 0.02 -0.04 4.32 4.41 2z5xA1 THR 205 HG23 0.10 0.02 -0.09 -0.04 1.22 1.21 2z5xA1 ARG 206 H 0.04 0.13 -0.31 -0.55 8.46 7.77 2z5xA1 ARG 206 HA 0.07 0.14 0.42 -0.75 4.34 4.22 2z5xA1 ARG 206 HB2 0.01 -0.04 0.07 -0.04 1.90 1.91 2z5xA1 ARG 206 HB3 -0.06 0.12 -0.08 -0.04 1.80 1.74 2z5xA1 ARG 206 HG2 0.12 0.10 0.03 -0.04 1.67 1.87 2z5xA1 ARG 206 HG3 0.33 -0.12 -0.09 -0.04 1.67 1.76 2z5xA1 ARG 206 HD2 0.19 0.03 -0.06 -0.04 3.22 3.34 2z5xA1 ARG 206 HD3 0.09 0.30 0.21 -0.04 3.22 3.77 2z5xA1 ILE 207 H 0.05 0.46 -0.27 -0.55 8.25 7.93 2z5xA1 ILE 207 HA 0.18 0.04 0.45 -0.75 4.18 4.09 2z5xA1 ILE 207 HB -0.11 0.14 0.03 -0.04 1.89 1.91 2z5xA1 ILE 207 HG12 0.19 -0.00 0.01 -0.04 1.49 1.65 2z5xA1 ILE 207 HG13 0.06 -0.02 0.06 -0.04 1.21 1.27 2z5xA1 ILE 207 HG23 0.17 -0.03 -0.12 -0.04 0.93 0.92 2z5xA1 ILE 207 HD13 0.04 -0.01 -0.07 -0.04 0.88 0.80 2z5xA1 PHE 208 H 0.19 0.26 -0.44 -0.55 8.34 7.80 2z5xA1 PHE 208 HA -0.07 0.14 0.41 -0.75 4.62 4.35 2z5xA1 PHE 208 HB2 0.12 0.03 0.01 -0.04 3.15 3.26 2z5xA1 PHE 208 HB3 -0.37 -0.02 -0.01 -0.04 3.06 2.63 2z5xA1 PHE 208 HD2 -0.63 0.00 -0.14 -0.04 7.28 6.47 2z5xA1 PHE 208 HE2 -0.03 0.02 0.00 -0.04 7.38 7.33 2z5xA1 PHE 208 HZ 0.12 -0.05 -0.01 -0.04 7.32 7.34 2z5xA1 SER 209 H 0.03 0.23 -0.19 -0.55 8.46 7.98 2z5xA1 SER 209 HA -0.14 0.02 0.25 -0.75 4.49 3.87 2z5xA1 SER 209 HB2 0.01 0.05 -0.13 -0.04 3.95 3.83 2z5xA1 SER 209 HB3 -0.03 0.11 -0.25 -0.04 3.93 3.72 2z5xA1 VAL 210 H -0.13 0.09 0.02 -0.55 8.24 7.67 2z5xA1 VAL 210 HA -0.18 0.06 0.41 -0.75 4.13 3.67 2z5xA1 VAL 210 HB -0.12 -0.10 0.11 -0.04 2.12 1.97 2z5xA1 VAL 210 HG13 -0.14 0.08 -0.19 -0.04 0.97 0.68 2z5xA1 VAL 210 HG23 -0.24 0.03 -0.07 -0.04 0.95 0.63 2z5xA1 THR 211 H -0.07 0.10 0.05 -0.55 8.28 7.81 2z5xA1 THR 211 HA -0.05 0.04 0.47 -0.75 4.39 4.10 2z5xA1 THR 211 HB -0.02 -0.04 0.10 -0.04 4.32 4.32 2z5xA1 THR 211 HG23 -0.01 0.01 -0.05 -0.04 1.22 1.13 2z5xA1 ASN 212 H -0.04 0.13 0.23 -0.55 8.53 8.31 2z5xA1 ASN 212 HA -0.02 -0.01 0.35 -0.75 4.76 4.32 2z5xA1 ASN 212 HB2 -0.01 -0.10 -0.18 -0.04 2.88 2.55 2z5xA1 ASN 212 HB3 -0.00 0.10 0.03 -0.04 2.79 2.87 2z5xA1 ASN 212 HD21 -0.01 0.52 -0.17 -0.04 7.03 7.33 2z5xA1 ASN 212 HD22 -0.01 -0.08 -0.11 -0.04 7.74 7.50 2z5xA1 GLY 213 H -0.05 0.45 -0.39 -0.55 8.43 7.90 2z5xA1 GLY 213 HA2 0.06 0.21 0.94 -0.51 4.01 4.71 2z5xA1 GLY 213 HA3 0.00 0.02 0.07 -0.51 4.01 3.59 2z5xA1 GLY 214 H 0.07 0.53 0.18 -0.55 8.43 8.66 2z5xA1 GLY 214 HA2 -0.33 -0.07 0.04 -0.51 4.01 3.14 2z5xA1 GLY 214 HA3 0.00 0.08 0.28 -0.51 4.01 3.86 2z5xA1 GLN 215 H -0.13 0.50 -0.36 -0.55 8.47 7.93 2z5xA1 GLN 215 HA -0.26 0.06 0.70 -0.75 4.36 4.11 2z5xA1 GLN 215 HB2 -0.28 0.22 -0.13 -0.04 2.15 1.92 2z5xA1 GLN 215 HB3 -0.50 -0.08 0.08 -0.04 2.02 1.48 2z5xA1 GLN 215 HG2 -0.45 -0.01 -0.09 -0.04 2.40 1.80 2z5xA1 GLN 215 HG3 -0.55 -0.07 -0.08 -0.04 2.39 1.64 2z5xA1 GLN 215 HE21 -0.04 0.36 -0.12 -0.04 6.97 7.13 2z5xA1 GLN 215 HE22 -0.24 0.05 -0.35 -0.04 7.69 7.11 2z5xA1 GLU 216 H -0.15 0.41 -0.22 -0.55 8.60 8.09 2z5xA1 GLU 216 HA -0.13 -0.11 0.04 -0.75 4.29 3.34 2z5xA1 GLU 216 HB2 -0.10 0.16 0.26 -0.04 2.09 2.37 2z5xA1 GLU 216 HB3 -0.12 -0.01 0.21 -0.04 1.99 2.03 2z5xA1 GLU 216 HG2 -0.08 -0.03 -0.05 -0.04 2.34 2.15 2z5xA1 GLU 216 HG3 -0.07 -0.10 0.01 -0.04 2.34 2.14 2z5xA1 ARG 217 H -0.14 0.38 -0.06 -0.55 8.46 8.09 2z5xA1 ARG 217 HA -0.21 0.19 1.05 -0.75 4.34 4.61 2z5xA1 ARG 217 HB2 -0.20 0.11 -0.10 -0.04 1.90 1.66 2z5xA1 ARG 217 HB3 -0.26 -0.03 -0.05 -0.04 1.80 1.42 2z5xA1 ARG 217 HG2 -0.12 0.06 -0.45 -0.04 1.67 1.12 2z5xA1 ARG 217 HG3 -0.11 -0.04 -0.54 -0.04 1.67 0.94 2z5xA1 ARG 217 HD2 -0.11 -0.05 -0.22 -0.04 3.22 2.79 2z5xA1 ARG 217 HD3 -0.07 -0.04 -0.27 -0.04 3.22 2.80 2z5xA1 LYS 218 H -0.55 0.56 0.37 -0.55 8.42 8.25 2z5xA1 LYS 218 HA -0.45 0.25 0.67 -0.75 4.32 4.04 2z5xA1 LYS 218 HB2 -0.86 0.04 -0.06 -0.04 1.87 0.96 2z5xA1 LYS 218 HB3 -0.31 0.01 0.04 -0.04 1.79 1.48 2z5xA1 LYS 218 HG2 -0.42 -0.02 -0.04 -0.04 1.46 0.93 2z5xA1 LYS 218 HG3 -0.02 0.07 -0.28 -0.04 1.46 1.19 2z5xA1 LYS 218 HD2 0.10 0.04 -0.07 -0.04 1.69 1.71 2z5xA1 LYS 218 HD3 -0.04 0.04 -0.08 -0.04 1.68 1.56 2z5xA1 LYS 218 HE2 0.05 0.06 -0.00 -0.04 2.99 3.05 2z5xA1 LYS 218 HE3 -0.05 -0.07 0.03 -0.04 2.99 2.86 2z5xA1 PHE 219 H -0.11 0.15 0.12 -0.55 8.34 7.95 2z5xA1 PHE 219 HA 0.02 0.26 0.89 -0.75 4.62 5.04 2z5xA1 PHE 219 HB2 -0.00 -0.22 -0.26 -0.04 3.15 2.63 2z5xA1 PHE 219 HB3 -0.00 0.20 -0.20 -0.04 3.06 3.01 2z5xA1 PHE 219 HD2 -0.03 0.01 -0.27 -0.04 7.28 6.95 2z5xA1 PHE 219 HE2 -0.04 -0.03 -0.20 -0.04 7.38 7.07 2z5xA1 PHE 219 HZ -0.05 -0.06 -0.23 -0.04 7.32 6.94 2z5xA1 VAL 220 H 0.29 0.94 0.29 -0.55 8.24 9.21 2z5xA1 VAL 220 HA 0.32 0.02 0.54 -0.75 4.13 4.25 2z5xA1 VAL 220 HB 0.10 -0.01 0.15 -0.04 2.12 2.33 2z5xA1 VAL 220 HG13 0.03 -0.00 -0.07 -0.04 0.97 0.89 2z5xA1 VAL 220 HG23 0.21 0.02 -0.20 -0.04 0.95 0.94 2z5xA1 GLY 221 H -0.28 0.18 0.16 -0.55 8.43 7.95 2z5xA1 GLY 221 HA2 -1.50 0.01 0.30 -0.51 4.01 2.31 2z5xA1 GLY 221 HA3 -0.38 0.18 0.46 -0.51 4.01 3.77 2z5xA1 GLY 222 H 0.07 0.28 -0.80 -0.55 8.43 7.43 2z5xA1 GLY 222 HA2 0.21 0.04 0.26 -0.51 4.01 4.02 2z5xA1 GLY 222 HA3 0.09 0.12 0.46 -0.51 4.01 4.17 2z5xA1 SER 223 H 0.15 0.20 0.14 -0.55 8.46 8.41 2z5xA1 SER 223 HA 0.02 0.18 0.40 -0.75 4.49 4.34 2z5xA1 SER 223 HB2 0.20 -0.05 0.02 -0.04 3.95 4.08 2z5xA1 SER 223 HB3 0.35 0.12 0.08 -0.04 3.93 4.44 2z5xA1 GLY 224 H 0.09 0.09 -0.23 -0.55 8.43 7.83 2z5xA1 GLY 224 HA2 0.08 0.07 0.26 -0.51 4.01 3.91 2z5xA1 GLY 224 HA3 0.10 0.02 0.26 -0.51 4.01 3.89 2z5xA1 GLN 225 H -0.03 0.30 -0.60 -0.55 8.47 7.59 2z5xA1 GLN 225 HA -0.04 -0.00 0.14 -0.75 4.36 3.71 2z5xA1 GLN 225 HB2 -0.14 0.10 -0.17 -0.04 2.15 1.90 2z5xA1 GLN 225 HB3 -0.09 0.04 -0.04 -0.04 2.02 1.89 2z5xA1 GLN 225 HG2 -0.07 -0.06 -0.07 -0.04 2.40 2.17 2z5xA1 GLN 225 HG3 -0.07 0.00 -0.19 -0.04 2.39 2.09 2z5xA1 GLN 225 HE21 -0.08 0.34 0.07 -0.04 6.97 7.27 2z5xA1 GLN 225 HE22 -0.08 0.23 -0.28 -0.04 7.69 7.52 2z5xA1 VAL 226 H -0.13 0.51 -0.43 -0.55 8.24 7.64 2z5xA1 VAL 226 HA -0.16 0.16 0.44 -0.75 4.13 3.82 2z5xA1 VAL 226 HB -0.11 0.04 0.09 -0.04 2.12 2.10 2z5xA1 VAL 226 HG13 -0.08 -0.01 -0.15 -0.04 0.97 0.68 2z5xA1 VAL 226 HG23 -0.43 0.01 -0.03 -0.04 0.95 0.45 2z5xA1 SER 227 H -0.04 0.31 -0.13 -0.55 8.46 8.06 2z5xA1 SER 227 HA -0.03 0.08 0.30 -0.75 4.49 4.08 2z5xA1 SER 227 HB2 0.00 0.17 -0.01 -0.04 3.95 4.08 2z5xA1 SER 227 HB3 -0.01 -0.03 -0.17 -0.04 3.93 3.68 2z5xA1 GLU 228 H -0.02 0.46 -0.06 -0.55 8.60 8.44 2z5xA1 GLU 228 HA -0.01 0.04 0.44 -0.75 4.29 4.00 2z5xA1 GLU 228 HB2 -0.02 0.03 -0.02 -0.04 2.09 2.05 2z5xA1 GLU 228 HB3 -0.01 0.04 -0.05 -0.04 1.99 1.93 2z5xA1 GLU 228 HG2 0.02 0.00 -0.02 -0.04 2.34 2.31 2z5xA1 GLU 228 HG3 0.02 0.01 -0.05 -0.04 2.34 2.28 2z5xA1 ARG 229 H -0.04 0.46 -0.32 -0.55 8.46 8.00 2z5xA1 ARG 229 HA -0.03 0.06 0.47 -0.75 4.34 4.09 2z5xA1 ARG 229 HB2 -0.06 0.13 0.09 -0.04 1.90 2.02 2z5xA1 ARG 229 HB3 -0.04 0.02 0.04 -0.04 1.80 1.78 2z5xA1 ARG 229 HG2 -0.04 -0.07 -0.00 -0.04 1.67 1.52 2z5xA1 ARG 229 HG3 -0.05 -0.01 0.05 -0.04 1.67 1.62 2z5xA1 ARG 229 HD2 -0.07 0.02 0.00 -0.04 3.22 3.13 2z5xA1 ARG 229 HD3 -0.05 0.09 0.07 -0.04 3.22 3.29 2z5xA1 ILE 230 H -0.04 0.27 -0.27 -0.55 8.25 7.66 2z5xA1 ILE 230 HA -0.03 0.12 0.53 -0.75 4.18 4.04 2z5xA1 ILE 230 HB -0.03 -0.01 0.05 -0.04 1.89 1.85 2z5xA1 ILE 230 HG12 -0.03 0.02 -0.05 -0.04 1.49 1.38 2z5xA1 ILE 230 HG13 -0.04 0.13 0.02 -0.04 1.21 1.27 2z5xA1 ILE 230 HG23 -0.03 0.00 -0.16 -0.04 0.93 0.70 2z5xA1 ILE 230 HD13 -0.03 -0.06 -0.20 -0.04 0.88 0.55 2z5xA1 MET 231 H -0.03 0.43 -0.28 -0.55 8.47 8.04 2z5xA1 MET 231 HA -0.04 0.02 0.29 -0.75 4.52 4.04 2z5xA1 MET 231 HB2 -0.03 -0.10 0.05 -0.04 2.15 2.02 2z5xA1 MET 231 HB3 -0.02 0.10 0.17 -0.04 2.03 2.23 2z5xA1 MET 231 HG2 -0.02 0.05 -0.27 -0.04 2.63 2.35 2z5xA1 MET 231 HG3 -0.03 0.06 -0.01 -0.04 2.56 2.53 2z5xA1 MET 231 HE3 -0.01 -0.01 -0.02 -0.04 2.10 2.02 2z5xA1 ASP 232 H -0.02 0.38 -0.26 -0.55 8.40 7.95 2z5xA1 ASP 232 HA -0.02 0.00 0.48 -0.75 4.63 4.34 2z5xA1 ASP 232 HB2 -0.02 0.25 0.15 -0.04 2.71 3.05 2z5xA1 ASP 232 HB3 -0.02 -0.03 -0.06 -0.04 2.70 2.55 2z5xA1 LEU 233 H -0.02 0.40 -0.20 -0.55 8.37 8.00 2z5xA1 LEU 233 HA -0.01 0.01 0.43 -0.75 4.35 4.02 2z5xA1 LEU 233 HB2 -0.02 0.06 0.13 -0.04 1.64 1.77 2z5xA1 LEU 233 HB3 -0.02 -0.03 0.04 -0.04 1.64 1.59 2z5xA1 LEU 233 HG -0.02 0.23 0.14 -0.04 1.64 1.95 2z5xA1 LEU 233 HD13 -0.02 -0.03 0.00 -0.04 0.93 0.84 2z5xA1 LEU 233 HD23 -0.02 -0.02 0.01 -0.04 0.89 0.83 2z5xA1 LEU 234 H -0.02 0.45 -0.29 -0.55 8.37 7.95 2z5xA1 LEU 234 HA -0.01 0.10 0.57 -0.75 4.35 4.25 2z5xA1 LEU 234 HB2 -0.04 0.06 -0.06 -0.04 1.64 1.56 2z5xA1 LEU 234 HB3 -0.04 -0.08 -0.06 -0.04 1.64 1.43 2z5xA1 LEU 234 HG -0.03 0.17 -0.07 -0.04 1.64 1.68 2z5xA1 LEU 234 HD13 -0.05 -0.04 -0.18 -0.04 0.93 0.62 2z5xA1 LEU 234 HD23 -0.02 0.01 -0.19 -0.04 0.89 0.65 2z5xA1 GLY 235 H -0.02 0.36 -0.46 -0.55 8.43 7.77 2z5xA1 GLY 235 HA2 -0.01 0.04 0.36 -0.51 4.01 3.89 2z5xA1 GLY 235 HA3 -0.01 -0.07 0.40 -0.51 4.01 3.82 2z5xA1 ASP 236 H -0.00 0.13 0.22 -0.55 8.40 8.20 2z5xA1 ASP 236 HA -0.03 0.15 0.51 -0.75 4.63 4.51 2z5xA1 ASP 236 HB2 0.00 0.01 0.18 -0.04 2.71 2.86 2z5xA1 ASP 236 HB3 0.00 -0.04 0.12 -0.04 2.70 2.74 2z5xA1 GLN 237 H -0.02 0.60 -0.28 -0.55 8.47 8.22 2z5xA1 GLN 237 HA -0.07 0.10 0.78 -0.75 4.36 4.41 2z5xA1 GLN 237 HB2 -0.03 0.08 0.15 -0.04 2.15 2.30 2z5xA1 GLN 237 HB3 -0.06 0.18 0.34 -0.04 2.02 2.44 2z5xA1 GLN 237 HG2 0.02 -0.04 0.08 -0.04 2.40 2.43 2z5xA1 GLN 237 HG3 0.04 -0.03 0.11 -0.04 2.39 2.48 2z5xA1 GLN 237 HE21 0.20 -0.00 -0.06 -0.04 6.97 7.07 2z5xA1 GLN 237 HE22 0.07 -0.11 -0.16 -0.04 7.69 7.46 2z5xA1 VAL 238 H -0.08 0.31 -0.51 -0.55 8.24 7.41 2z5xA1 VAL 238 HA -0.16 0.07 0.91 -0.75 4.13 4.20 2z5xA1 VAL 238 HB -0.07 0.13 0.04 -0.04 2.12 2.18 2z5xA1 VAL 238 HG13 -0.08 -0.06 -0.29 -0.04 0.97 0.50 2z5xA1 VAL 238 HG23 -0.07 -0.03 -0.18 -0.04 0.95 0.63 2z5xA1 LYS 239 H -0.23 0.84 0.28 -0.55 8.42 8.76 2z5xA1 LYS 239 HA -0.14 0.15 0.96 -0.75 4.32 4.53 2z5xA1 LYS 239 HB2 -0.49 0.00 0.13 -0.04 1.87 1.47 2z5xA1 LYS 239 HB3 -0.72 0.04 -0.02 -0.04 1.79 1.05 2z5xA1 LYS 239 HG2 -0.23 -0.00 -0.01 -0.04 1.46 1.17 2z5xA1 LYS 239 HG3 -0.25 0.07 -0.27 -0.04 1.46 0.97 2z5xA1 LYS 239 HD2 -0.62 -0.05 -0.09 -0.04 1.69 0.89 2z5xA1 LYS 239 HD3 -0.41 -0.03 -0.06 -0.04 1.68 1.14 2z5xA1 LYS 239 HE2 -0.19 0.06 -0.06 -0.04 2.99 2.76 2z5xA1 LYS 239 HE3 -0.08 -0.00 -0.05 -0.04 2.99 2.82 2z5xA1 LEU 240 H -0.02 0.14 0.09 -0.55 8.37 8.03 2z5xA1 LEU 240 HA -0.03 0.11 0.75 -0.75 4.35 4.43 2z5xA1 LEU 240 HB2 0.01 0.00 0.00 -0.04 1.64 1.61 2z5xA1 LEU 240 HB3 -0.02 0.04 0.15 -0.04 1.64 1.78 2z5xA1 LEU 240 HG -0.03 0.06 -0.11 -0.04 1.64 1.52 2z5xA1 LEU 240 HD13 -0.01 -0.01 -0.20 -0.04 0.93 0.67 2z5xA1 LEU 240 HD23 -0.04 -0.03 -0.29 -0.04 0.89 0.49 2z5xA1 ASN 241 H -0.04 0.49 -0.15 -0.55 8.53 8.29 2z5xA1 ASN 241 HA -0.08 0.22 0.14 -0.75 4.76 4.28 2z5xA1 ASN 241 HB2 -0.03 0.10 0.06 -0.04 2.88 2.97 2z5xA1 ASN 241 HB3 -0.07 -0.04 0.15 -0.04 2.79 2.79 2z5xA1 ASN 241 HD21 -0.00 -0.04 -0.05 -0.04 7.03 6.90 2z5xA1 ASN 241 HD22 0.02 0.09 -0.28 -0.04 7.74 7.53 2z5xA1 HIS 242 H 0.01 0.60 -0.40 -0.55 8.41 8.08 2z5xA1 HIS 242 HA -0.06 0.13 0.76 -0.75 4.63 4.71 2z5xA1 HIS 242 HB2 -0.13 0.02 -0.10 -0.04 3.26 3.01 2z5xA1 HIS 242 HB3 -0.09 -0.08 -0.08 -0.04 3.20 2.91 2z5xA1 HIS 242 HD2 0.13 -0.09 -0.11 -0.04 6.97 6.86 2z5xA1 HIS 242 HE1 0.02 -0.03 -0.06 -0.04 7.75 7.63 2z5xA1 PRO 243 HA -0.15 -0.01 0.61 -0.51 4.44 4.38 2z5xA1 PRO 243 HB2 -0.01 0.05 -0.00 -0.04 2.28 2.27 2z5xA1 PRO 243 HB3 -0.14 0.03 0.06 -0.04 2.02 1.93 2z5xA1 PRO 243 HG2 -0.01 0.05 0.04 -0.04 2.03 2.06 2z5xA1 PRO 243 HG3 -0.29 0.10 0.07 -0.04 2.03 1.86 2z5xA1 PRO 243 HD2 -0.12 0.03 0.03 -0.04 3.68 3.58 2z5xA1 PRO 243 HD3 -0.15 0.18 -0.39 -0.04 3.65 3.26 2z5xA1 VAL 244 H -0.05 0.08 0.14 -0.55 8.24 7.85 2z5xA1 VAL 244 HA 0.00 0.13 0.59 -0.75 4.13 4.10 2z5xA1 VAL 244 HB -0.05 -0.06 0.09 -0.04 2.12 2.06 2z5xA1 VAL 244 HG13 -0.05 0.02 -0.23 -0.04 0.97 0.67 2z5xA1 VAL 244 HG23 -0.04 0.01 -0.06 -0.04 0.95 0.82 2z5xA1 THR 245 H 0.05 0.71 0.43 -0.55 8.28 8.92 2z5xA1 THR 245 HA -0.06 0.21 0.89 -0.75 4.39 4.68 2z5xA1 THR 245 HB 0.12 -0.00 0.00 -0.04 4.32 4.40 2z5xA1 THR 245 HG23 0.03 0.01 -0.20 -0.04 1.22 1.03 2z5xA1 HIS 246 H 0.09 0.36 0.33 -0.55 8.41 8.65 2z5xA1 HIS 246 HA -0.05 0.29 1.06 -0.75 4.63 5.17 2z5xA1 HIS 246 HB2 0.03 -0.11 0.07 -0.04 3.26 3.21 2z5xA1 HIS 246 HB3 0.03 0.04 -0.09 -0.04 3.20 3.14 2z5xA1 HIS 246 HD2 0.02 0.00 -0.05 -0.04 6.97 6.89 2z5xA1 HIS 246 HE1 -0.01 -0.01 -0.07 -0.04 7.75 7.61 2z5xA1 VAL 247 H -0.13 0.74 0.28 -0.55 8.24 8.58 2z5xA1 VAL 247 HA 0.05 0.22 0.98 -0.75 4.13 4.63 2z5xA1 VAL 247 HB -0.24 -0.00 0.02 -0.04 2.12 1.85 2z5xA1 VAL 247 HG13 0.16 0.00 -0.22 -0.04 0.97 0.87 2z5xA1 VAL 247 HG23 -0.11 -0.02 -0.25 -0.04 0.95 0.52 2z5xA1 ASP 248 H 0.09 0.53 0.23 -0.55 8.40 8.71 2z5xA1 ASP 248 HA 0.10 0.21 1.10 -0.75 4.63 5.29 2z5xA1 ASP 248 HB2 0.10 0.02 -0.10 -0.04 2.71 2.68 2z5xA1 ASP 248 HB3 0.08 0.05 0.19 -0.04 2.70 2.98 2z5xA1 GLN 249 H 0.08 0.91 0.35 -0.55 8.47 9.26 2z5xA1 GLN 249 HA 0.03 0.16 0.78 -0.75 4.36 4.58 2z5xA1 GLN 249 HB2 0.01 0.03 0.16 -0.04 2.15 2.31 2z5xA1 GLN 249 HB3 0.05 -0.05 -0.04 -0.04 2.02 1.93 2z5xA1 GLN 249 HG2 0.07 0.14 0.00 -0.04 2.40 2.57 2z5xA1 GLN 249 HG3 0.03 -0.00 0.02 -0.04 2.39 2.40 2z5xA1 GLN 249 HE21 -0.03 0.24 -0.27 -0.04 6.97 6.87 2z5xA1 GLN 249 HE22 0.02 0.08 -0.15 -0.04 7.69 7.60 2z5xA1 SER 250 H 0.04 0.07 -0.26 -0.55 8.46 7.76 2z5xA1 SER 250 HA 0.02 0.06 0.42 -0.75 4.49 4.24 2z5xA1 SER 250 HB2 0.02 0.00 -0.03 -0.04 3.95 3.90 2z5xA1 SER 250 HB3 0.02 -0.02 0.02 -0.04 3.93 3.90 2z5xA1 SER 251 H 0.02 0.13 -0.30 -0.55 8.46 7.76 2z5xA1 SER 251 HA 0.00 0.15 0.68 -0.75 4.49 4.56 2z5xA1 SER 251 HB2 0.00 -0.00 -0.03 -0.04 3.95 3.88 2z5xA1 SER 251 HB3 0.01 0.02 -0.00 -0.04 3.93 3.91 2z5xA1 ASP 252 H -0.00 0.06 0.12 -0.55 8.40 8.03 2z5xA1 ASP 252 HA -0.02 0.25 0.49 -0.75 4.63 4.59 2z5xA1 ASP 252 HB2 -0.01 -0.07 0.12 -0.04 2.71 2.72 2z5xA1 ASP 252 HB3 -0.02 0.03 0.08 -0.04 2.70 2.75 2z5xA1 ASN 253 H 0.00 -0.03 -0.12 -0.55 8.53 7.83 2z5xA1 ASN 253 HA 0.00 0.26 0.93 -0.75 4.76 5.20 2z5xA1 ASN 253 HB2 0.02 -0.10 0.09 -0.04 2.88 2.84 2z5xA1 ASN 253 HB3 0.03 0.07 -0.02 -0.04 2.79 2.84 2z5xA1 ASN 253 HD21 0.01 -0.01 -0.04 -0.04 7.03 6.94 2z5xA1 ASN 253 HD22 0.01 -0.02 -0.03 -0.04 7.74 7.67 2z5xA1 ILE 254 H 0.01 0.54 0.25 -0.55 8.25 8.49 2z5xA1 ILE 254 HA 0.04 0.15 0.74 -0.75 4.18 4.35 2z5xA1 ILE 254 HB 0.04 -0.03 -0.11 -0.04 1.89 1.75 2z5xA1 ILE 254 HG12 0.00 -0.05 -0.02 -0.04 1.49 1.38 2z5xA1 ILE 254 HG13 -0.03 0.16 -0.03 -0.04 1.21 1.27 2z5xA1 ILE 254 HG23 0.07 -0.04 -0.39 -0.04 0.93 0.53 2z5xA1 ILE 254 HD13 -0.01 -0.05 -0.26 -0.04 0.88 0.52 2z5xA1 ILE 255 H 0.07 0.62 0.36 -0.55 8.25 8.76 2z5xA1 ILE 255 HA 0.11 0.32 1.05 -0.75 4.18 4.91 2z5xA1 ILE 255 HB 0.08 -0.08 0.18 -0.04 1.89 2.03 2z5xA1 ILE 255 HG12 0.05 0.00 -0.08 -0.04 1.49 1.42 2z5xA1 ILE 255 HG13 0.05 0.06 -0.34 -0.04 1.21 0.94 2z5xA1 ILE 255 HG23 0.14 -0.01 -0.16 -0.04 0.93 0.86 2z5xA1 ILE 255 HD13 0.02 -0.03 -0.02 -0.04 0.88 0.81 2z5xA1 ILE 256 H 0.18 0.85 0.41 -0.55 8.25 9.14 2z5xA1 ILE 256 HA 0.10 0.19 1.11 -0.75 4.18 4.83 2z5xA1 ILE 256 HB 0.21 -0.07 0.02 -0.04 1.89 2.01 2z5xA1 ILE 256 HG12 0.12 0.07 -0.34 -0.04 1.49 1.30 2z5xA1 ILE 256 HG13 0.06 -0.03 -0.18 -0.04 1.21 1.02 2z5xA1 ILE 256 HG23 0.05 -0.01 -0.11 -0.04 0.93 0.82 2z5xA1 ILE 256 HD13 0.06 0.02 -0.23 -0.04 0.88 0.68 2z5xA1 GLU 257 H 0.11 0.82 0.39 -0.55 8.60 9.37 2z5xA1 GLU 257 HA -0.05 0.43 1.12 -0.75 4.29 5.03 2z5xA1 GLU 257 HB2 0.03 -0.00 -0.07 -0.04 2.09 2.00 2z5xA1 GLU 257 HB3 0.06 -0.10 0.08 -0.04 1.99 1.98 2z5xA1 GLU 257 HG2 -0.09 0.20 -0.15 -0.04 2.34 2.26 2z5xA1 GLU 257 HG3 -0.51 0.11 -0.09 -0.04 2.34 1.81 2z5xA1 THR 258 H -0.04 0.51 0.15 -0.55 8.28 8.35 2z5xA1 THR 258 HA 0.02 0.20 0.92 -0.75 4.39 4.79 2z5xA1 THR 258 HB 0.02 -0.04 -0.06 -0.04 4.32 4.19 2z5xA1 THR 258 HG23 0.27 0.04 -0.28 -0.04 1.22 1.21 2z5xA1 LEU 259 H -0.07 0.45 0.19 -0.55 8.37 8.40 2z5xA1 LEU 259 HA -0.13 0.09 0.27 -0.75 4.35 3.83 2z5xA1 LEU 259 HB2 -0.03 0.08 0.10 -0.04 1.64 1.74 2z5xA1 LEU 259 HB3 -0.09 -0.01 0.12 -0.04 1.64 1.62 2z5xA1 LEU 259 HG -0.09 -0.00 -0.08 -0.04 1.64 1.43 2z5xA1 LEU 259 HD13 -0.01 0.00 0.03 -0.04 0.93 0.91 2z5xA1 LEU 259 HD23 0.01 -0.00 -0.01 -0.04 0.89 0.85 2z5xA1 ASN 260 H -0.17 0.07 -0.24 -0.55 8.53 7.64 2z5xA1 ASN 260 HA -0.19 0.18 0.68 -0.75 4.76 4.67 2z5xA1 ASN 260 HB2 -0.07 0.02 0.17 -0.04 2.88 2.96 2z5xA1 ASN 260 HB3 -0.15 0.03 0.08 -0.04 2.79 2.71 2z5xA1 ASN 260 HD21 -0.08 0.02 -0.02 -0.04 7.03 6.91 2z5xA1 ASN 260 HD22 -0.12 0.01 0.03 -0.04 7.74 7.62 2z5xA1 HIS 261 H -0.44 0.37 -0.64 -0.55 8.41 7.16 2z5xA1 HIS 261 HA -0.15 0.14 0.23 -0.75 4.63 4.10 2z5xA1 HIS 261 HB2 0.00 0.08 -0.05 -0.04 3.26 3.25 2z5xA1 HIS 261 HB3 0.04 -0.04 0.14 -0.04 3.20 3.29 2z5xA1 HIS 261 HD2 -0.00 0.00 -0.21 -0.04 6.97 6.72 2z5xA1 HIS 261 HE1 0.01 -0.03 -0.00 -0.04 7.75 7.67 2z5xA1 GLU 262 H -0.05 -0.07 -0.48 -0.55 8.60 7.45 2z5xA1 GLU 262 HA -0.04 0.16 0.73 -0.75 4.29 4.38 2z5xA1 GLU 262 HB2 0.21 -0.10 -0.02 -0.04 2.09 2.14 2z5xA1 GLU 262 HB3 -0.04 0.09 0.00 -0.04 1.99 1.99 2z5xA1 GLU 262 HG2 0.09 0.04 -0.00 -0.04 2.34 2.43 2z5xA1 GLU 262 HG3 0.07 0.03 -0.09 -0.04 2.34 2.31 2z5xA1 HIS 263 H -0.09 0.20 0.19 -0.55 8.41 8.18 2z5xA1 HIS 263 HA -0.00 0.40 1.09 -0.75 4.63 5.37 2z5xA1 HIS 263 HB2 -0.06 -0.05 0.08 -0.04 3.26 3.19 2z5xA1 HIS 263 HB3 -0.00 0.03 0.06 -0.04 3.20 3.25 2z5xA1 HIS 263 HD2 -0.04 -0.06 0.04 -0.04 6.97 6.87 2z5xA1 HIS 263 HE1 -0.03 -0.06 -0.08 -0.04 7.75 7.52 2z5xA1 TYR 264 H 0.21 0.53 0.38 -0.55 8.29 8.86 2z5xA1 TYR 264 HA 0.24 0.34 0.90 -0.75 4.56 5.29 2z5xA1 TYR 264 HB2 0.05 -0.11 0.00 -0.04 3.06 2.97 2z5xA1 TYR 264 HB3 0.12 0.08 0.03 -0.04 2.98 3.17 2z5xA1 TYR 264 HD2 0.01 0.05 -0.14 -0.04 7.15 7.03 2z5xA1 TYR 264 HE2 -0.24 -0.03 -0.17 -0.04 6.85 6.37 2z5xA1 GLU 265 H 0.29 0.68 0.42 -0.55 8.60 9.45 2z5xA1 GLU 265 HA 0.14 0.49 1.06 -0.75 4.29 5.23 2z5xA1 GLU 265 HB2 0.11 -0.03 0.11 -0.04 2.09 2.25 2z5xA1 GLU 265 HB3 0.08 -0.02 0.04 -0.04 1.99 2.05 2z5xA1 GLU 265 HG2 0.08 0.11 -0.05 -0.04 2.34 2.45 2z5xA1 GLU 265 HG3 0.10 -0.06 -0.40 -0.04 2.34 1.94 2z5xA1 CYS 266 H 0.09 0.56 0.38 -0.55 8.50 8.98 2z5xA1 CYS 266 HA 0.14 0.80 0.87 -0.75 4.58 5.64 2z5xA1 CYS 266 HB2 0.14 0.05 -0.23 -0.04 2.97 2.90 2z5xA1 CYS 266 HB3 0.17 -0.00 -0.51 -0.04 2.97 2.59 2z5xA1 LYS 267 H 0.10 0.62 0.49 -0.55 8.42 9.08 2z5xA1 LYS 267 HA -0.09 0.16 1.06 -0.75 4.32 4.70 2z5xA1 LYS 267 HB2 0.12 0.05 0.27 -0.04 1.87 2.27 2z5xA1 LYS 267 HB3 -0.36 -0.02 0.12 -0.04 1.79 1.48 2z5xA1 LYS 267 HG2 -0.02 -0.03 0.09 -0.04 1.46 1.46 2z5xA1 LYS 267 HG3 -0.03 0.04 0.09 -0.04 1.46 1.53 2z5xA1 LYS 267 HD2 0.04 -0.04 -0.02 -0.04 1.69 1.62 2z5xA1 LYS 267 HD3 0.08 0.05 0.14 -0.04 1.68 1.90 2z5xA1 LYS 267 HE2 0.10 -0.08 0.10 -0.04 2.99 3.07 2z5xA1 LYS 267 HE3 0.13 0.04 0.06 -0.04 2.99 3.18 2z5xA1 TYR 268 H 0.15 0.39 0.36 -0.55 8.29 8.64 2z5xA1 TYR 268 HA 0.10 0.31 0.93 -0.75 4.56 5.15 2z5xA1 TYR 268 HB2 0.05 -0.09 -0.03 -0.04 3.06 2.94 2z5xA1 TYR 268 HB3 0.14 0.02 -0.02 -0.04 2.98 3.08 2z5xA1 TYR 268 HD2 0.25 0.03 -0.03 -0.04 7.15 7.36 2z5xA1 TYR 268 HE2 0.14 -0.03 -0.03 -0.04 6.85 6.89 2z5xA1 VAL 269 H 0.22 0.68 0.41 -0.55 8.24 9.00 2z5xA1 VAL 269 HA 0.07 0.34 0.97 -0.75 4.13 4.76 2z5xA1 VAL 269 HB 0.02 -0.04 0.08 -0.04 2.12 2.14 2z5xA1 VAL 269 HG13 0.02 -0.01 -0.19 -0.04 0.97 0.74 2z5xA1 VAL 269 HG23 0.06 -0.01 -0.28 -0.04 0.95 0.68 2z5xA1 ILE 270 H 0.02 0.49 0.22 -0.55 8.25 8.43 2z5xA1 ILE 270 HA 0.00 0.33 0.79 -0.75 4.18 4.55 2z5xA1 ILE 270 HB -0.01 -0.09 0.10 -0.04 1.89 1.84 2z5xA1 ILE 270 HG12 0.02 0.08 -0.18 -0.04 1.49 1.38 2z5xA1 ILE 270 HG13 0.02 -0.02 -0.29 -0.04 1.21 0.87 2z5xA1 ILE 270 HG23 0.00 -0.01 -0.26 -0.04 0.93 0.61 2z5xA1 ILE 270 HD13 -0.08 -0.01 -0.23 -0.04 0.88 0.52 2z5xA1 ASN 271 H -0.23 0.71 0.24 -0.55 8.53 8.70 2z5xA1 ASN 271 HA 0.00 0.02 0.81 -0.75 4.76 4.83 2z5xA1 ASN 271 HB2 -0.12 0.03 0.09 -0.04 2.88 2.84 2z5xA1 ASN 271 HB3 -0.21 0.06 0.23 -0.04 2.79 2.83 2z5xA1 ASN 271 HD21 0.22 -0.01 -0.03 -0.04 7.03 7.17 2z5xA1 ASN 271 HD22 0.25 0.02 0.00 -0.04 7.74 7.97 2z5xA1 ALA 272 H 0.03 0.64 0.23 -0.55 8.40 8.76 2z5xA1 ALA 272 HA 0.07 0.11 0.55 -0.75 4.34 4.33 2z5xA1 ALA 272 HB3 0.02 -0.02 -0.08 -0.04 1.41 1.29 2z5xA1 ILE 273 H 0.10 0.31 -0.13 -0.55 8.25 7.97 2z5xA1 ILE 273 HA 0.07 0.08 0.95 -0.75 4.18 4.52 2z5xA1 ILE 273 HB 0.07 0.06 0.06 -0.04 1.89 2.04 2z5xA1 ILE 273 HG12 0.11 -0.08 -0.04 -0.04 1.49 1.43 2z5xA1 ILE 273 HG13 0.10 0.13 -0.34 -0.04 1.21 1.05 2z5xA1 ILE 273 HG23 0.03 0.01 -0.13 -0.04 0.93 0.80 2z5xA1 ILE 273 HD13 0.07 0.01 -0.23 -0.04 0.88 0.69 2z5xA1 PRO 274 HA 0.09 0.14 0.44 -0.51 4.44 4.59 2z5xA1 PRO 274 HB2 0.03 0.05 0.02 -0.04 2.28 2.34 2z5xA1 PRO 274 HB3 0.07 -0.05 0.12 -0.04 2.02 2.11 2z5xA1 PRO 274 HG2 0.06 0.06 0.03 -0.04 2.03 2.13 2z5xA1 PRO 274 HG3 0.07 0.14 0.13 -0.04 2.03 2.33 2z5xA1 PRO 274 HD2 0.08 0.11 0.19 -0.04 3.68 4.02 2z5xA1 PRO 274 HD3 0.08 0.02 0.24 -0.04 3.65 3.95 2z5xA1 PRO 275 HA 0.01 0.06 0.38 -0.51 4.44 4.38 2z5xA1 PRO 275 HB2 -0.11 0.14 0.11 -0.04 2.28 2.38 2z5xA1 PRO 275 HB3 -0.10 0.03 0.10 -0.04 2.02 2.01 2z5xA1 PRO 275 HG2 -0.06 0.05 0.07 -0.04 2.03 2.05 2z5xA1 PRO 275 HG3 -0.01 0.12 0.07 -0.04 2.03 2.17 2z5xA1 PRO 275 HD2 0.03 0.05 0.20 -0.04 3.68 3.91 2z5xA1 PRO 275 HD3 0.07 0.11 0.21 -0.04 3.65 4.00 2z5xA1 THR 276 H -0.04 0.08 -0.09 -0.55 8.28 7.67 2z5xA1 THR 276 HA -0.06 0.26 0.60 -0.75 4.39 4.44 2z5xA1 THR 276 HB -0.08 0.17 0.14 -0.04 4.32 4.50 2z5xA1 THR 276 HG23 -0.01 -0.03 -0.12 -0.04 1.22 1.02 2z5xA1 LEU 277 H 0.02 0.21 -0.22 -0.55 8.37 7.84 2z5xA1 LEU 277 HA 0.02 0.14 0.66 -0.75 4.35 4.41 2z5xA1 LEU 277 HB2 0.07 0.04 -0.01 -0.04 1.64 1.70 2z5xA1 LEU 277 HB3 0.08 -0.04 0.01 -0.04 1.64 1.65 2z5xA1 LEU 277 HG 0.05 -0.01 -0.12 -0.04 1.64 1.51 2z5xA1 LEU 277 HD13 0.13 -0.07 -0.26 -0.04 0.93 0.69 2z5xA1 LEU 277 HD23 0.02 0.02 -0.26 -0.04 0.89 0.62 2z5xA1 THR 278 H 0.06 0.43 -0.10 -0.55 8.28 8.12 2z5xA1 THR 278 HA 0.17 -0.04 0.40 -0.75 4.39 4.17 2z5xA1 THR 278 HB 0.08 0.16 0.10 -0.04 4.32 4.62 2z5xA1 THR 278 HG23 0.30 -0.01 -0.05 -0.04 1.22 1.42 2z5xA1 ALA 279 H 0.02 0.44 -0.43 -0.55 8.40 7.88 2z5xA1 ALA 279 HA 0.02 -0.02 0.14 -0.75 4.34 3.73 2z5xA1 ALA 279 HB3 -0.05 0.05 -0.01 -0.04 1.41 1.37 2z5xA1 LYS 280 H -0.02 0.41 -0.72 -0.55 8.42 7.54 2z5xA1 LYS 280 HA -0.14 0.21 0.97 -0.75 4.32 4.60 2z5xA1 LYS 280 HB2 -0.07 0.00 -0.03 -0.04 1.87 1.74 2z5xA1 LYS 280 HB3 -0.10 -0.09 0.08 -0.04 1.79 1.64 2z5xA1 LYS 280 HG2 -0.06 -0.00 -0.11 -0.04 1.46 1.25 2z5xA1 LYS 280 HG3 -0.03 0.12 0.06 -0.04 1.46 1.57 2z5xA1 LYS 280 HD2 -0.02 -0.04 0.01 -0.04 1.69 1.59 2z5xA1 LYS 280 HD3 -0.04 -0.06 0.00 -0.04 1.68 1.54 2z5xA1 LYS 280 HE2 -0.03 0.16 -0.00 -0.04 2.99 3.07 2z5xA1 LYS 280 HE3 -0.03 -0.05 0.01 -0.04 2.99 2.89 2z5xA1 ILE 281 H -0.08 0.28 -0.02 -0.55 8.25 7.88 2z5xA1 ILE 281 HA -0.33 0.08 0.53 -0.75 4.18 3.70 2z5xA1 ILE 281 HB -0.37 0.11 0.05 -0.04 1.89 1.64 2z5xA1 ILE 281 HG12 -0.16 0.12 -0.13 -0.04 1.49 1.28 2z5xA1 ILE 281 HG13 -0.07 0.11 0.02 -0.04 1.21 1.23 2z5xA1 ILE 281 HG23 -1.03 -0.06 -0.40 -0.04 0.93 -0.60 2z5xA1 ILE 281 HD13 -0.05 -0.06 -0.10 -0.04 0.88 0.63 2z5xA1 HIS 282 H -0.41 0.63 0.28 -0.55 8.41 8.36 2z5xA1 HIS 282 HA -0.11 0.11 0.78 -0.75 4.63 4.65 2z5xA1 HIS 282 HB2 -0.73 -0.05 0.32 -0.04 3.26 2.77 2z5xA1 HIS 282 HB3 -0.14 -0.06 0.04 -0.04 3.20 2.99 2z5xA1 HIS 282 HD2 -0.60 0.09 0.11 -0.04 6.97 6.53 2z5xA1 HIS 282 HE1 -0.04 -0.06 0.01 -0.04 7.75 7.62 2z5xA1 PHE 283 H 0.20 0.21 -0.01 -0.55 8.34 8.18 2z5xA1 PHE 283 HA 0.05 0.26 0.89 -0.75 4.62 5.08 2z5xA1 PHE 283 HB2 0.02 -0.14 0.05 -0.04 3.15 3.05 2z5xA1 PHE 283 HB3 0.04 0.18 -0.13 -0.04 3.06 3.10 2z5xA1 PHE 283 HD2 0.01 0.07 -0.10 -0.04 7.28 7.22 2z5xA1 PHE 283 HE2 0.01 0.11 -0.07 -0.04 7.38 7.38 2z5xA1 PHE 283 HZ 0.07 -0.06 -0.06 -0.04 7.32 7.22 2z5xA1 ARG 284 H 0.16 0.69 0.41 -0.55 8.46 9.17 2z5xA1 ARG 284 HA 0.13 -0.04 -0.41 -0.75 4.34 3.26 2z5xA1 ARG 284 HB2 0.07 -0.05 0.12 -0.04 1.90 2.01 2z5xA1 ARG 284 HB3 0.10 0.11 0.09 -0.04 1.80 2.05 2z5xA1 ARG 284 HG2 0.11 0.05 -0.03 -0.04 1.67 1.76 2z5xA1 ARG 284 HG3 0.07 -0.10 -0.02 -0.04 1.67 1.59 2z5xA1 ARG 284 HD2 0.07 0.02 -0.05 -0.04 3.22 3.22 2z5xA1 ARG 284 HD3 0.07 0.01 -0.07 -0.04 3.22 3.19 2z5xA1 PRO 285 HA 0.06 0.01 0.34 -0.51 4.44 4.35 2z5xA1 PRO 285 HB2 0.03 0.20 -0.10 -0.04 2.28 2.37 2z5xA1 PRO 285 HB3 0.03 -0.03 0.09 -0.04 2.02 2.06 2z5xA1 PRO 285 HG2 0.02 0.05 0.00 -0.04 2.03 2.07 2z5xA1 PRO 285 HG3 0.02 0.02 0.05 -0.04 2.03 2.08 2z5xA1 PRO 285 HD2 0.04 0.14 0.33 -0.04 3.68 4.16 2z5xA1 PRO 285 HD3 0.04 0.03 -0.09 -0.04 3.65 3.59 2z5xA1 GLU 286 H 0.06 0.00 0.09 -0.55 8.60 8.21 2z5xA1 GLU 286 HA 0.11 0.14 0.41 -0.75 4.29 4.19 2z5xA1 GLU 286 HB2 0.03 -0.09 0.09 -0.04 2.09 2.07 2z5xA1 GLU 286 HB3 0.02 0.11 0.06 -0.04 1.99 2.13 2z5xA1 GLU 286 HG2 0.08 0.10 0.12 -0.04 2.34 2.60 2z5xA1 GLU 286 HG3 0.06 -0.06 0.12 -0.04 2.34 2.41 2z5xA1 LEU 287 H 0.01 0.08 0.11 -0.55 8.37 8.03 2z5xA1 LEU 287 HA -0.10 0.15 0.58 -0.75 4.35 4.23 2z5xA1 LEU 287 HB2 -0.13 -0.04 -0.04 -0.04 1.64 1.40 2z5xA1 LEU 287 HB3 -0.18 0.00 0.03 -0.04 1.64 1.45 2z5xA1 LEU 287 HG -0.33 -0.02 0.01 -0.04 1.64 1.26 2z5xA1 LEU 287 HD13 -0.43 0.01 -0.11 -0.04 0.93 0.36 2z5xA1 LEU 287 HD23 -0.65 0.02 -0.07 -0.04 0.89 0.15 2z5xA1 PRO 288 HA -0.04 0.08 0.46 -0.51 4.44 4.42 2z5xA1 PRO 288 HB2 -0.08 -0.11 0.11 -0.04 2.28 2.16 2z5xA1 PRO 288 HB3 -0.05 0.03 0.15 -0.04 2.02 2.11 2z5xA1 PRO 288 HG2 -0.07 0.11 0.10 -0.04 2.03 2.13 2z5xA1 PRO 288 HG3 -0.05 0.08 0.08 -0.04 2.03 2.11 2z5xA1 PRO 288 HD2 -0.12 0.11 0.17 -0.04 3.68 3.79 2z5xA1 PRO 288 HD3 -0.07 0.20 0.19 -0.04 3.65 3.92 2z5xA1 ALA 289 H -0.04 0.15 0.17 -0.55 8.40 8.14 2z5xA1 ALA 289 HA -0.07 0.15 0.49 -0.75 4.34 4.17 2z5xA1 ALA 289 HB3 -0.03 0.02 0.11 -0.04 1.41 1.47 2z5xA1 GLU 290 H -0.05 0.07 -0.19 -0.55 8.60 7.89 2z5xA1 GLU 290 HA 0.01 0.10 0.42 -0.75 4.29 4.07 2z5xA1 GLU 290 HB2 -0.04 -0.08 0.08 -0.04 2.09 2.00 2z5xA1 GLU 290 HB3 -0.03 0.10 -0.13 -0.04 1.99 1.89 2z5xA1 GLU 290 HG2 0.15 0.06 0.07 -0.04 2.34 2.58 2z5xA1 GLU 290 HG3 0.01 -0.04 0.04 -0.04 2.34 2.31 2z5xA1 ARG 291 H -0.12 0.06 -0.29 -0.55 8.46 7.56 2z5xA1 ARG 291 HA -0.18 0.08 0.39 -0.75 4.34 3.88 2z5xA1 ARG 291 HB2 -0.18 -0.03 0.05 -0.04 1.90 1.69 2z5xA1 ARG 291 HB3 -0.17 0.10 0.01 -0.04 1.80 1.70 2z5xA1 ARG 291 HG2 -0.34 0.03 -0.06 -0.04 1.67 1.26 2z5xA1 ARG 291 HG3 -0.25 -0.02 -0.22 -0.04 1.67 1.13 2z5xA1 ARG 291 HD2 -0.25 -0.12 -0.00 -0.04 3.22 2.81 2z5xA1 ARG 291 HD3 -0.27 -0.02 -0.04 -0.04 3.22 2.85 2z5xA1 ASN 292 H -0.14 0.60 -0.18 -0.55 8.53 8.27 2z5xA1 ASN 292 HA -0.12 0.07 0.36 -0.75 4.76 4.31 2z5xA1 ASN 292 HB2 -0.08 0.04 0.00 -0.04 2.88 2.80 2z5xA1 ASN 292 HB3 -0.10 0.01 0.06 -0.04 2.79 2.71 2z5xA1 ASN 292 HD21 -0.03 0.06 0.02 -0.04 7.03 7.04 2z5xA1 ASN 292 HD22 -0.03 -0.00 0.01 -0.04 7.74 7.67 2z5xA1 GLN 293 H -0.28 0.43 -0.33 -0.55 8.47 7.74 2z5xA1 GLN 293 HA -0.32 0.03 0.37 -0.75 4.36 3.68 2z5xA1 GLN 293 HB2 -0.96 0.10 0.17 -0.04 2.15 1.41 2z5xA1 GLN 293 HB3 -1.53 -0.05 -0.05 -0.04 2.02 0.34 2z5xA1 GLN 293 HG2 -0.24 0.18 0.07 -0.04 2.40 2.37 2z5xA1 GLN 293 HG3 -0.27 -0.08 -0.01 -0.04 2.39 1.99 2z5xA1 GLN 293 HE21 -0.10 -0.00 -0.06 -0.04 6.97 6.77 2z5xA1 GLN 293 HE22 -0.12 0.00 -0.05 -0.04 7.69 7.48 2z5xA1 LEU 294 H -0.40 0.67 -0.09 -0.55 8.37 8.01 2z5xA1 LEU 294 HA -0.19 -0.07 0.26 -0.75 4.35 3.60 2z5xA1 LEU 294 HB2 -0.09 0.06 0.03 -0.04 1.64 1.60 2z5xA1 LEU 294 HB3 -0.18 0.08 0.14 -0.04 1.64 1.65 2z5xA1 LEU 294 HG -0.16 -0.00 -0.30 -0.04 1.64 1.14 2z5xA1 LEU 294 HD13 -0.01 -0.04 -0.26 -0.04 0.93 0.58 2z5xA1 LEU 294 HD23 -0.08 0.03 -0.16 -0.04 0.89 0.64 2z5xA1 ILE 295 H -0.19 0.65 -0.17 -0.55 8.25 7.99 2z5xA1 ILE 295 HA -0.16 -0.06 0.07 -0.75 4.18 3.27 2z5xA1 ILE 295 HB -0.07 0.08 0.11 -0.04 1.89 1.97 2z5xA1 ILE 295 HG12 -0.13 0.18 0.06 -0.04 1.49 1.56 2z5xA1 ILE 295 HG13 -0.08 0.04 -0.29 -0.04 1.21 0.84 2z5xA1 ILE 295 HG23 -0.15 0.01 0.00 -0.04 0.93 0.76 2z5xA1 ILE 295 HD13 -0.03 -0.05 -0.25 -0.04 0.88 0.51 2z5xA1 GLN 296 H -0.17 0.42 -0.35 -0.55 8.47 7.82 2z5xA1 GLN 296 HA -0.11 0.12 0.90 -0.75 4.36 4.52 2z5xA1 GLN 296 HB2 -0.13 0.03 -0.05 -0.04 2.15 1.96 2z5xA1 GLN 296 HB3 -0.09 -0.09 0.14 -0.04 2.02 1.93 2z5xA1 GLN 296 HG2 -0.08 -0.02 0.05 -0.04 2.40 2.31 2z5xA1 GLN 296 HG3 -0.12 0.42 0.11 -0.04 2.39 2.77 2z5xA1 GLN 296 HE21 -0.06 -0.09 -0.01 -0.04 6.97 6.77 2z5xA1 GLN 296 HE22 -0.07 0.00 0.03 -0.04 7.69 7.61 2z5xA1 ARG 297 H -0.20 0.64 -0.08 -0.55 8.46 8.27 2z5xA1 ARG 297 HA -0.15 0.21 1.07 -0.75 4.34 4.71 2z5xA1 ARG 297 HB2 -0.14 0.07 0.11 -0.04 1.90 1.90 2z5xA1 ARG 297 HB3 -0.09 -0.12 0.19 -0.04 1.80 1.73 2z5xA1 ARG 297 HG2 -0.07 -0.06 -0.01 -0.04 1.67 1.49 2z5xA1 ARG 297 HG3 -0.14 0.04 -0.26 -0.04 1.67 1.26 2z5xA1 ARG 297 HD2 -0.22 0.05 -0.13 -0.04 3.22 2.88 2z5xA1 ARG 297 HD3 0.08 -0.09 -0.03 -0.04 3.22 3.13 2z5xA1 LEU 298 H -0.26 0.16 -0.27 -0.55 8.37 7.46 2z5xA1 LEU 298 HA -0.53 0.28 0.89 -0.75 4.35 4.24 2z5xA1 LEU 298 HB2 -0.28 -0.08 0.13 -0.04 1.64 1.36 2z5xA1 LEU 298 HB3 -0.42 -0.05 0.03 -0.04 1.64 1.16 2z5xA1 LEU 298 HG -0.44 0.18 -0.10 -0.04 1.64 1.24 2z5xA1 LEU 298 HD13 -0.35 -0.03 -0.09 -0.04 0.93 0.41 2z5xA1 LEU 298 HD23 -1.45 0.01 -0.10 -0.04 0.89 -0.69 2z5xA1 PRO 299 HA -0.26 0.11 0.77 -0.51 4.44 4.55 2z5xA1 PRO 299 HB2 -0.66 0.07 -0.11 -0.04 2.28 1.54 2z5xA1 PRO 299 HB3 -0.23 0.00 0.10 -0.04 2.02 1.85 2z5xA1 PRO 299 HG2 -0.54 -0.05 0.04 -0.04 2.03 1.44 2z5xA1 PRO 299 HG3 -0.27 0.05 -0.01 -0.04 2.03 1.75 2z5xA1 PRO 299 HD2 -1.03 0.10 0.25 -0.04 3.68 2.97 2z5xA1 PRO 299 HD3 -0.43 0.60 0.15 -0.04 3.65 3.93 2z5xA1 MET 300 H -0.13 0.14 0.14 -0.55 8.47 8.07 2z5xA1 MET 300 HA -0.06 0.12 0.58 -0.75 4.52 4.40 2z5xA1 MET 300 HB2 -0.01 0.20 -0.11 -0.04 2.15 2.20 2z5xA1 MET 300 HB3 0.02 -0.10 -0.37 -0.04 2.03 1.54 2z5xA1 MET 300 HG2 -0.05 -0.03 -0.03 -0.04 2.63 2.48 2z5xA1 MET 300 HG3 0.01 0.03 -0.16 -0.04 2.56 2.40 2z5xA1 MET 300 HE3 0.05 0.02 -0.26 -0.04 2.10 1.87 2z5xA1 GLY 301 H 0.07 0.39 0.08 -0.55 8.43 8.42 2z5xA1 GLY 301 HA2 0.15 0.05 0.61 -0.51 4.01 4.32 2z5xA1 GLY 301 HA3 0.01 0.10 0.38 -0.51 4.01 3.98 2z5xA1 ALA 302 H -0.06 0.58 0.42 -0.55 8.40 8.79 2z5xA1 ALA 302 HA 0.01 0.07 0.96 -0.75 4.34 4.63 2z5xA1 ALA 302 HB3 0.00 -0.01 0.06 -0.04 1.41 1.42 2z5xA1 VAL 303 H 0.04 0.11 0.22 -0.55 8.24 8.06 2z5xA1 VAL 303 HA -0.05 0.45 0.90 -0.75 4.13 4.67 2z5xA1 VAL 303 HB -0.35 0.08 -0.10 -0.04 2.12 1.71 2z5xA1 VAL 303 HG13 -0.09 -0.03 -0.13 -0.04 0.97 0.68 2z5xA1 VAL 303 HG23 -0.39 -0.01 -0.19 -0.04 0.95 0.32 2z5xA1 ILE 304 H 0.06 0.66 0.35 -0.55 8.25 8.77 2z5xA1 ILE 304 HA 0.13 0.21 1.02 -0.75 4.18 4.79 2z5xA1 ILE 304 HB 0.09 -0.04 0.16 -0.04 1.89 2.06 2z5xA1 ILE 304 HG12 0.04 -0.06 0.04 -0.04 1.49 1.47 2z5xA1 ILE 304 HG13 0.05 -0.11 -0.31 -0.04 1.21 0.80 2z5xA1 ILE 304 HG23 0.07 0.01 -0.22 -0.04 0.93 0.76 2z5xA1 ILE 304 HD13 0.04 0.04 -0.08 -0.04 0.88 0.84 2z5xA1 LYS 305 H 0.24 0.49 0.26 -0.55 8.42 8.85 2z5xA1 LYS 305 HA 0.40 0.23 0.99 -0.75 4.32 5.18 2z5xA1 LYS 305 HB2 0.27 -0.04 0.08 -0.04 1.87 2.14 2z5xA1 LYS 305 HB3 0.32 0.01 0.21 -0.04 1.79 2.29 2z5xA1 LYS 305 HG2 0.31 -0.00 -0.05 -0.04 1.46 1.68 2z5xA1 LYS 305 HG3 0.84 -0.03 -0.02 -0.04 1.46 2.21 2z5xA1 LYS 305 HD2 0.28 0.12 -0.29 -0.04 1.69 1.76 2z5xA1 LYS 305 HD3 0.23 0.01 -0.09 -0.04 1.68 1.80 2z5xA1 LYS 305 HE2 0.36 -0.05 -0.09 -0.04 2.99 3.17 2z5xA1 LYS 305 HE3 0.41 -0.07 -0.15 -0.04 2.99 3.14 2z5xA1 CYS 306 H 0.22 0.79 0.39 -0.55 8.50 9.35 2z5xA1 CYS 306 HA -0.07 0.16 1.04 -0.75 4.58 4.95 2z5xA1 CYS 306 HB2 0.18 -0.04 0.10 -0.04 2.97 3.17 2z5xA1 CYS 306 HB3 0.29 0.01 -0.04 -0.04 2.97 3.18 2z5xA1 MET 307 H -0.19 0.77 0.34 -0.55 8.47 8.84 2z5xA1 MET 307 HA -0.05 0.37 1.27 -0.75 4.52 5.35 2z5xA1 MET 307 HB2 0.01 -0.07 0.08 -0.04 2.15 2.13 2z5xA1 MET 307 HB3 -0.22 0.00 -0.10 -0.04 2.03 1.68 2z5xA1 MET 307 HG2 -0.00 -0.00 -0.08 -0.04 2.63 2.50 2z5xA1 MET 307 HG3 -0.09 0.05 -0.05 -0.04 2.56 2.43 2z5xA1 MET 307 HE3 0.08 0.01 -0.02 -0.04 2.10 2.12 2z5xA1 MET 308 H -0.06 0.72 0.34 -0.55 8.47 8.93 2z5xA1 MET 308 HA 0.08 0.18 1.02 -0.75 4.52 5.04 2z5xA1 MET 308 HB2 0.24 -0.00 0.03 -0.04 2.15 2.37 2z5xA1 MET 308 HB3 0.21 -0.12 0.16 -0.04 2.03 2.23 2z5xA1 MET 308 HG2 0.21 0.00 -0.03 -0.04 2.63 2.78 2z5xA1 MET 308 HG3 -0.37 0.06 -0.02 -0.04 2.56 2.19 2z5xA1 MET 308 HE3 -0.12 -0.00 -0.05 -0.04 2.10 1.89 2z5xA1 TYR 309 H 0.14 0.67 0.34 -0.55 8.29 8.89 2z5xA1 TYR 309 HA 0.08 0.27 1.03 -0.75 4.56 5.18 2z5xA1 TYR 309 HB2 0.10 -0.15 0.06 -0.04 3.06 3.03 2z5xA1 TYR 309 HB3 0.09 0.11 -0.03 -0.04 2.98 3.12 2z5xA1 TYR 309 HD2 0.08 0.10 -0.26 -0.04 7.15 7.03 2z5xA1 TYR 309 HE2 0.03 0.03 -0.13 -0.04 6.85 6.74 2z5xA1 TYR 310 H 0.36 0.76 0.16 -0.55 8.29 9.02 2z5xA1 TYR 310 HA 0.27 0.09 0.81 -0.75 4.56 4.98 2z5xA1 TYR 310 HB2 0.39 -0.02 -0.16 -0.04 3.06 3.23 2z5xA1 TYR 310 HB3 0.37 -0.07 0.11 -0.04 2.98 3.34 2z5xA1 TYR 310 HD2 0.44 0.07 -0.23 -0.04 7.15 7.39 2z5xA1 TYR 310 HE2 0.23 0.02 -0.21 -0.04 6.85 6.86 2z5xA1 LYS 311 H 0.31 0.20 0.16 -0.55 8.42 8.54 2z5xA1 LYS 311 HA 0.14 0.11 0.58 -0.75 4.32 4.39 2z5xA1 LYS 311 HB2 0.14 -0.02 0.17 -0.04 1.87 2.12 2z5xA1 LYS 311 HB3 0.08 -0.00 -0.06 -0.04 1.79 1.77 2z5xA1 LYS 311 HG2 0.08 0.01 0.07 -0.04 1.46 1.59 2z5xA1 LYS 311 HG3 0.12 0.03 0.06 -0.04 1.46 1.62 2z5xA1 LYS 311 HD2 0.06 0.02 0.02 -0.04 1.69 1.75 2z5xA1 LYS 311 HD3 0.06 -0.02 0.02 -0.04 1.68 1.70 2z5xA1 LYS 311 HE2 0.04 0.01 0.02 -0.04 2.99 3.02 2z5xA1 LYS 311 HE3 0.03 -0.00 0.01 -0.04 2.99 2.98 2z5xA1 GLU 312 H 0.19 0.16 0.01 -0.55 8.60 8.41 2z5xA1 GLU 312 HA -0.05 0.22 0.83 -0.75 4.29 4.53 2z5xA1 GLU 312 HB2 0.04 -0.03 0.01 -0.04 2.09 2.07 2z5xA1 GLU 312 HB3 -0.07 -0.00 -0.12 -0.04 1.99 1.75 2z5xA1 GLU 312 HG2 -0.04 0.03 -0.03 -0.04 2.34 2.26 2z5xA1 GLU 312 HG3 0.00 0.15 -0.30 -0.04 2.34 2.16 2z5xA1 ALA 313 H -0.33 0.28 0.07 -0.55 8.40 7.87 2z5xA1 ALA 313 HA -2.35 0.09 0.56 -0.75 4.34 1.89 2z5xA1 ALA 313 HB3 -0.85 0.04 0.19 -0.04 1.41 0.75 2z5xA1 PHE 314 H -0.63 0.57 -0.08 -0.55 8.34 7.65 2z5xA1 PHE 314 HA -0.25 0.04 0.18 -0.75 4.62 3.83 2z5xA1 PHE 314 HB2 -0.07 0.02 0.01 -0.04 3.15 3.08 2z5xA1 PHE 314 HB3 -0.13 0.04 0.01 -0.04 3.06 2.94 2z5xA1 PHE 314 HD2 -0.04 0.10 -0.20 -0.04 7.28 7.11 2z5xA1 PHE 314 HE2 -0.76 0.09 -0.20 -0.04 7.38 6.46 2z5xA1 PHE 314 HZ -0.18 0.04 -0.17 -0.04 7.32 6.98 2z5xA1 TRP 315 H -1.32 0.03 -0.54 -0.55 7.97 5.59 2z5xA1 TRP 315 HA 0.05 0.14 0.29 -0.75 4.62 4.34 2z5xA1 TRP 315 HB2 -0.02 0.01 -0.27 -0.04 3.23 2.91 2z5xA1 TRP 315 HB3 -0.29 0.01 -0.09 -0.04 3.23 2.82 2z5xA1 TRP 315 HD1 -0.09 0.20 -0.49 -0.04 7.22 6.79 2z5xA1 TRP 315 HE1 -0.10 0.07 0.03 -0.04 10.20 10.15 2z5xA1 TRP 315 HE3 -1.98 0.01 -0.11 -0.04 7.59 5.47 2z5xA1 TRP 315 HZ2 -0.07 -0.03 0.05 -0.04 7.44 7.35 2z5xA1 TRP 315 HZ3 -0.58 0.07 -0.13 -0.04 7.13 6.45 2z5xA1 TRP 315 HH2 0.10 0.00 -0.34 -0.04 7.19 6.91 2z5xA1 LYS 316 H -0.92 0.19 -0.18 -0.55 8.42 6.96 2z5xA1 LYS 316 HA -0.03 0.16 0.52 -0.75 4.32 4.22 2z5xA1 LYS 316 HB2 -0.43 0.18 0.18 -0.04 1.87 1.76 2z5xA1 LYS 316 HB3 -0.16 -0.02 0.02 -0.04 1.79 1.60 2z5xA1 LYS 316 HG2 0.00 -0.01 0.05 -0.04 1.46 1.46 2z5xA1 LYS 316 HG3 -0.21 -0.03 0.06 -0.04 1.46 1.24 2z5xA1 LYS 316 HD2 -0.22 -0.03 0.08 -0.04 1.69 1.48 2z5xA1 LYS 316 HD3 -0.07 0.00 0.03 -0.04 1.68 1.60 2z5xA1 LYS 316 HE2 0.09 -0.05 0.05 -0.04 2.99 3.03 2z5xA1 LYS 316 HE3 0.24 0.01 0.07 -0.04 2.99 3.28 2z5xA1 LYS 317 H -0.19 0.17 -0.23 -0.55 8.42 7.62 2z5xA1 LYS 317 HA -0.08 0.01 0.32 -0.75 4.32 3.82 2z5xA1 LYS 317 HB2 -0.01 0.09 0.01 -0.04 1.87 1.91 2z5xA1 LYS 317 HB3 -0.04 -0.02 0.03 -0.04 1.79 1.72 2z5xA1 LYS 317 HG2 -0.05 -0.04 0.06 -0.04 1.46 1.39 2z5xA1 LYS 317 HG3 -0.03 -0.02 -0.00 -0.04 1.46 1.36 2z5xA1 LYS 317 HD2 -0.07 0.02 -0.03 -0.04 1.69 1.56 2z5xA1 LYS 317 HD3 -0.14 -0.04 -0.04 -0.04 1.68 1.42 2z5xA1 LYS 317 HE2 -0.10 0.02 -0.09 -0.04 2.99 2.78 2z5xA1 LYS 317 HE3 -0.20 -0.02 -0.31 -0.04 2.99 2.42 2z5xA1 LYS 318 H -0.01 0.32 -0.23 -0.55 8.42 7.94 2z5xA1 LYS 318 HA -0.12 0.05 0.57 -0.75 4.32 4.07 2z5xA1 LYS 318 HB2 0.01 0.04 0.07 -0.04 1.87 1.95 2z5xA1 LYS 318 HB3 -0.31 0.01 0.15 -0.04 1.79 1.59 2z5xA1 LYS 318 HG2 0.03 -0.08 0.01 -0.04 1.46 1.38 2z5xA1 LYS 318 HG3 0.16 -0.02 0.02 -0.04 1.46 1.58 2z5xA1 LYS 318 HD2 0.12 -0.05 0.06 -0.04 1.69 1.78 2z5xA1 LYS 318 HD3 0.29 0.31 0.05 -0.04 1.68 2.29 2z5xA1 LYS 318 HE2 -0.07 -0.03 0.08 -0.04 2.99 2.93 2z5xA1 LYS 318 HE3 0.05 -0.09 0.06 -0.04 2.99 2.97 2z5xA1 ASP 319 H -0.12 0.54 -0.66 -0.55 8.40 7.61 2z5xA1 ASP 319 HA -0.07 0.03 0.34 -0.75 4.63 4.17 2z5xA1 ASP 319 HB2 -0.11 0.02 -0.16 -0.04 2.71 2.42 2z5xA1 ASP 319 HB3 -0.19 0.14 0.11 -0.04 2.70 2.72 2z5xA1 TYR 320 H 0.02 0.63 -0.05 -0.55 8.29 8.34 2z5xA1 TYR 320 HA 0.02 0.30 0.81 -0.75 4.56 4.94 2z5xA1 TYR 320 HB2 0.15 -0.06 -0.09 -0.04 3.06 3.02 2z5xA1 TYR 320 HB3 0.03 -0.13 -0.07 -0.04 2.98 2.77 2z5xA1 TYR 320 HD2 0.08 -0.02 -0.03 -0.04 7.15 7.15 2z5xA1 TYR 320 HE2 0.08 0.07 -0.01 -0.04 6.85 6.94 2z5xA1 CYS 321 H 0.09 0.63 -0.04 -0.55 8.50 8.63 2z5xA1 CYS 321 HA 0.19 0.10 0.47 -0.75 4.58 4.59 2z5xA1 CYS 321 HB2 0.02 0.19 -0.10 -0.04 2.97 3.03 2z5xA1 CYS 321 HB3 0.02 -0.18 -0.25 -0.04 2.97 2.52 2z5xA1 GLY 322 H -0.05 0.18 -0.08 -0.55 8.43 7.93 2z5xA1 GLY 322 HA2 -0.60 0.04 0.07 -0.51 4.01 3.01 2z5xA1 GLY 322 HA3 -0.79 0.13 0.62 -0.51 4.01 3.46 2z5xA1 CYS 323 H -0.16 0.03 -0.04 -0.55 8.50 7.78 2z5xA1 CYS 323 HA -0.22 0.40 0.79 -0.75 4.58 4.80 2z5xA1 CYS 323 HB2 -0.18 0.01 0.12 -0.04 2.97 2.88 2z5xA1 CYS 323 HB3 -0.16 -0.07 0.22 -0.04 2.97 2.92 2z5xA1 MET 324 H -0.18 0.25 0.10 -0.55 8.47 8.10 2z5xA1 MET 324 HA -0.02 0.21 0.79 -0.75 4.52 4.74 2z5xA1 MET 324 HB2 -0.12 -0.04 -0.05 -0.04 2.15 1.90 2z5xA1 MET 324 HB3 -0.03 0.02 -0.20 -0.04 2.03 1.78 2z5xA1 MET 324 HG2 -0.20 0.06 -0.31 -0.04 2.63 2.14 2z5xA1 MET 324 HG3 -0.29 -0.06 -0.49 -0.04 2.56 1.68 2z5xA1 MET 324 HE3 -0.85 0.03 -0.13 -0.04 2.10 1.10 2z5xA1 ILE 325 H 0.20 0.80 0.32 -0.55 8.25 9.02 2z5xA1 ILE 325 HA 0.14 0.15 0.97 -0.75 4.18 4.69 2z5xA1 ILE 325 HB 0.38 -0.02 0.31 -0.04 1.89 2.53 2z5xA1 ILE 325 HG12 0.20 0.03 0.04 -0.04 1.49 1.71 2z5xA1 ILE 325 HG13 0.23 -0.02 -0.12 -0.04 1.21 1.25 2z5xA1 ILE 325 HG23 0.42 -0.02 -0.03 -0.04 0.93 1.26 2z5xA1 ILE 325 HD13 0.57 0.01 -0.01 -0.04 0.88 1.41 2z5xA1 ILE 326 H 0.13 0.84 0.17 -0.55 8.25 8.85 2z5xA1 ILE 326 HA 0.26 0.04 0.79 -0.75 4.18 4.52 2z5xA1 ILE 326 HB 0.12 0.06 -0.16 -0.04 1.89 1.86 2z5xA1 ILE 326 HG12 0.11 -0.02 -0.31 -0.04 1.49 1.24 2z5xA1 ILE 326 HG13 0.08 -0.04 -0.59 -0.04 1.21 0.62 2z5xA1 ILE 326 HG23 0.15 -0.03 -0.16 -0.04 0.93 0.85 2z5xA1 ILE 326 HD13 0.06 -0.02 -0.26 -0.04 0.88 0.63 2z5xA1 GLU 327 H 0.25 0.71 0.30 -0.55 8.60 9.31 2z5xA1 GLU 327 HA 0.14 0.08 0.57 -0.75 4.29 4.33 2z5xA1 GLU 327 HB2 0.22 0.01 -0.03 -0.04 2.09 2.25 2z5xA1 GLU 327 HB3 0.20 0.10 0.29 -0.04 1.99 2.54 2z5xA1 GLU 327 HG2 0.13 -0.10 0.02 -0.04 2.34 2.35 2z5xA1 GLU 327 HG3 0.13 0.02 -0.03 -0.04 2.34 2.43 2z5xA1 ASP 328 H 0.14 0.47 0.04 -0.55 8.40 8.49 2z5xA1 ASP 328 HA 0.11 -0.03 0.65 -0.75 4.63 4.60 2z5xA1 ASP 328 HB2 0.29 0.09 -0.84 -0.04 2.71 2.21 2z5xA1 ASP 328 HB3 0.21 0.02 -0.03 -0.04 2.70 2.87 2z5xA1 GLU 329 H 0.08 0.12 0.13 -0.55 8.60 8.38 2z5xA1 GLU 329 HA 0.07 0.10 0.31 -0.75 4.29 4.02 2z5xA1 GLU 329 HB2 0.05 -0.05 0.17 -0.04 2.09 2.22 2z5xA1 GLU 329 HB3 0.04 0.06 -0.01 -0.04 1.99 2.04 2z5xA1 GLU 329 HG2 0.06 -0.03 0.06 -0.04 2.34 2.39 2z5xA1 GLU 329 HG3 0.04 0.00 0.04 -0.04 2.34 2.38 2z5xA1 ASP 330 H 0.07 -0.02 -0.26 -0.55 8.40 7.65 2z5xA1 ASP 330 HA 0.04 0.19 0.42 -0.75 4.63 4.52 2z5xA1 ASP 330 HB2 0.06 -0.03 0.00 -0.04 2.71 2.70 2z5xA1 ASP 330 HB3 0.03 0.04 0.07 -0.04 2.70 2.80 2z5xA1 ALA 331 H 0.09 0.26 -0.32 -0.55 8.40 7.88 2z5xA1 ALA 331 HA 0.03 0.07 0.56 -0.75 4.34 4.24 2z5xA1 ALA 331 HB3 0.08 0.00 0.01 -0.04 1.41 1.46 2z5xA1 PRO 332 HA 0.02 0.05 0.50 -0.51 4.44 4.51 2z5xA1 PRO 332 HB2 -0.01 -0.00 -0.06 -0.04 2.28 2.17 2z5xA1 PRO 332 HB3 -0.01 0.01 0.05 -0.04 2.02 2.02 2z5xA1 PRO 332 HG2 -0.07 -0.05 0.06 -0.04 2.03 1.93 2z5xA1 PRO 332 HG3 -0.07 0.04 -0.24 -0.04 2.03 1.72 2z5xA1 PRO 332 HD2 -0.02 0.02 0.26 -0.04 3.68 3.89 2z5xA1 PRO 332 HD3 -0.01 0.18 0.17 -0.04 3.65 3.95 2z5xA1 ILE 333 H 0.04 0.03 -0.12 -0.55 8.25 7.66 2z5xA1 ILE 333 HA 0.11 0.15 0.20 -0.75 4.18 3.88 2z5xA1 ILE 333 HB 0.16 -0.03 -0.02 -0.04 1.89 1.95 2z5xA1 ILE 333 HG12 0.00 -0.08 -0.11 -0.04 1.49 1.26 2z5xA1 ILE 333 HG13 0.07 0.01 -0.08 -0.04 1.21 1.18 2z5xA1 ILE 333 HG23 0.17 -0.01 -0.06 -0.04 0.93 0.99 2z5xA1 ILE 333 HD13 0.14 -0.01 -0.32 -0.04 0.88 0.65 2z5xA1 SER 334 H 0.14 0.56 0.45 -0.55 8.46 9.07 2z5xA1 SER 334 HA 0.11 0.34 1.12 -0.75 4.49 5.30 2z5xA1 SER 334 HB2 0.14 -0.00 0.00 -0.04 3.95 4.05 2z5xA1 SER 334 HB3 0.10 -0.04 0.12 -0.04 3.93 4.07 2z5xA1 ILE 335 H 0.10 0.20 0.36 -0.55 8.25 8.36 2z5xA1 ILE 335 HA 0.02 0.31 0.98 -0.75 4.18 4.73 2z5xA1 ILE 335 HB 0.07 0.01 -0.18 -0.04 1.89 1.74 2z5xA1 ILE 335 HG12 -0.16 -0.01 -0.03 -0.04 1.49 1.25 2z5xA1 ILE 335 HG13 -0.12 0.06 0.22 -0.04 1.21 1.33 2z5xA1 ILE 335 HG23 0.01 -0.01 -0.03 -0.04 0.93 0.85 2z5xA1 ILE 335 HD13 -0.05 -0.01 0.07 -0.04 0.88 0.84 2z5xA1 THR 336 H -0.13 0.43 0.41 -0.55 8.28 8.44 2z5xA1 THR 336 HA -0.21 0.25 1.12 -0.75 4.39 4.79 2z5xA1 THR 336 HB -0.30 0.10 0.16 -0.04 4.32 4.23 2z5xA1 THR 336 HG23 -0.11 -0.04 -0.18 -0.04 1.22 0.84 2z5xA1 LEU 337 H -0.23 0.55 0.43 -0.55 8.37 8.57 2z5xA1 LEU 337 HA -0.24 0.04 0.50 -0.75 4.35 3.90 2z5xA1 LEU 337 HB2 -0.12 -0.06 0.00 -0.04 1.64 1.43 2z5xA1 LEU 337 HB3 -0.14 0.11 0.02 -0.04 1.64 1.59 2z5xA1 LEU 337 HG -0.31 0.00 -0.38 -0.04 1.64 0.91 2z5xA1 LEU 337 HD13 -0.54 -0.00 -0.06 -0.04 0.93 0.29 2z5xA1 LEU 337 HD23 -0.25 -0.01 0.08 -0.04 0.89 0.67 2z5xA1 ASP 338 H -0.20 0.13 -0.01 -0.55 8.40 7.77 2z5xA1 ASP 338 HA -0.30 0.09 0.84 -0.75 4.63 4.50 2z5xA1 ASP 338 HB2 -0.01 0.28 0.39 -0.04 2.71 3.33 2z5xA1 ASP 338 HB3 0.02 -0.03 0.27 -0.04 2.70 2.93 2z5xA1 ASP 339 H -0.01 0.79 0.38 -0.55 8.40 9.01 2z5xA1 ASP 339 HA 0.08 0.17 0.68 -0.75 4.63 4.80 2z5xA1 ASP 339 HB2 -0.03 0.02 -0.22 -0.04 2.71 2.43 2z5xA1 ASP 339 HB3 -0.09 -0.06 -0.14 -0.04 2.70 2.38 2z5xA1 THR 340 H 0.16 -0.01 0.07 -0.55 8.28 7.95 2z5xA1 THR 340 HA 0.13 0.27 0.41 -0.75 4.39 4.45 2z5xA1 THR 340 HB 0.15 -0.03 0.03 -0.04 4.32 4.43 2z5xA1 THR 340 HG23 0.06 0.07 -0.26 -0.04 1.22 1.05 2z5xA1 LYS 341 H 0.04 0.65 0.14 -0.55 8.42 8.70 2z5xA1 LYS 341 HA -0.07 0.11 0.40 -0.75 4.32 4.01 2z5xA1 LYS 341 HB2 -0.02 0.07 0.06 -0.04 1.87 1.95 2z5xA1 LYS 341 HB3 -0.06 -0.15 0.03 -0.04 1.79 1.57 2z5xA1 LYS 341 HG2 -0.03 0.19 0.10 -0.04 1.46 1.68 2z5xA1 LYS 341 HG3 -0.08 -0.08 -0.03 -0.04 1.46 1.24 2z5xA1 LYS 341 HD2 -0.19 -0.13 0.08 -0.04 1.69 1.42 2z5xA1 LYS 341 HD3 -0.17 0.04 0.03 -0.04 1.68 1.54 2z5xA1 LYS 341 HE2 -0.41 -0.01 0.18 -0.04 2.99 2.71 2z5xA1 LYS 341 HE3 -1.70 -0.15 0.12 -0.04 2.99 1.23 2z5xA1 PRO 342 HA -0.24 0.15 0.18 -0.51 4.44 4.01 2z5xA1 PRO 342 HB2 -0.24 0.02 -0.04 -0.04 2.28 1.99 2z5xA1 PRO 342 HB3 -0.53 0.03 0.07 -0.04 2.02 1.56 2z5xA1 PRO 342 HG2 -0.39 0.01 0.04 -0.04 2.03 1.65 2z5xA1 PRO 342 HG3 -2.12 0.06 0.02 -0.04 2.03 -0.06 2z5xA1 PRO 342 HD2 -0.15 0.05 0.15 -0.04 3.68 3.69 2z5xA1 PRO 342 HD3 -0.31 0.17 0.21 -0.04 3.65 3.68 2z5xA1 ASP 343 H -0.08 0.05 -0.42 -0.55 8.40 7.41 2z5xA1 ASP 343 HA -0.03 0.21 0.68 -0.75 4.63 4.73 2z5xA1 ASP 343 HB2 -0.02 0.03 0.15 -0.04 2.71 2.84 2z5xA1 ASP 343 HB3 -0.03 -0.00 0.03 -0.04 2.70 2.66 2z5xA1 GLY 344 H -0.03 0.67 -0.39 -0.55 8.43 8.14 2z5xA1 GLY 344 HA2 -0.00 0.01 0.24 -0.51 4.01 3.75 2z5xA1 GLY 344 HA3 -0.01 0.11 0.51 -0.51 4.01 4.10 2z5xA1 SER 345 H -0.01 -0.04 -0.44 -0.55 8.46 7.42 2z5xA1 SER 345 HA 0.02 0.14 0.43 -0.75 4.49 4.32 2z5xA1 SER 345 HB2 0.01 -0.01 0.08 -0.04 3.95 4.00 2z5xA1 SER 345 HB3 0.00 0.04 -0.01 -0.04 3.93 3.93 2z5xA1 LEU 346 H 0.05 0.10 0.16 -0.55 8.37 8.14 2z5xA1 LEU 346 HA 0.14 0.10 0.40 -0.75 4.35 4.23 2z5xA1 LEU 346 HB2 0.09 0.03 0.13 -0.04 1.64 1.85 2z5xA1 LEU 346 HB3 0.19 0.06 0.13 -0.04 1.64 1.97 2z5xA1 LEU 346 HG 0.02 -0.17 -0.08 -0.04 1.64 1.36 2z5xA1 LEU 346 HD13 -0.05 -0.01 -0.20 -0.04 0.93 0.63 2z5xA1 LEU 346 HD23 -0.01 0.06 0.02 -0.04 0.89 0.92 2z5xA1 PRO 347 HA 0.24 -0.02 0.33 -0.51 4.44 4.47 2z5xA1 PRO 347 HB2 0.23 -0.04 -0.38 -0.04 2.28 2.05 2z5xA1 PRO 347 HB3 -0.02 -0.09 -0.06 -0.04 2.02 1.81 2z5xA1 PRO 347 HG2 0.03 0.04 -0.38 -0.04 2.03 1.68 2z5xA1 PRO 347 HG3 0.02 0.16 0.01 -0.04 2.03 2.17 2z5xA1 PRO 347 HD2 0.17 0.43 0.15 -0.04 3.68 4.38 2z5xA1 PRO 347 HD3 0.09 -0.05 0.15 -0.04 3.65 3.79 2z5xA1 ALA 348 H 0.44 0.18 0.20 -0.55 8.40 8.67 2z5xA1 ALA 348 HA 0.02 0.35 0.88 -0.75 4.34 4.84 2z5xA1 ALA 348 HB3 -0.41 0.03 -0.24 -0.04 1.41 0.75 2z5xA1 ILE 349 H -0.12 0.52 0.31 -0.55 8.25 8.42 2z5xA1 ILE 349 HA -0.43 0.16 0.82 -0.75 4.18 3.97 2z5xA1 ILE 349 HB -0.13 -0.04 0.14 -0.04 1.89 1.82 2z5xA1 ILE 349 HG12 -0.95 -0.07 -0.12 -0.04 1.49 0.31 2z5xA1 ILE 349 HG13 -0.85 0.00 -0.05 -0.04 1.21 0.27 2z5xA1 ILE 349 HG23 -0.63 0.04 -0.15 -0.04 0.93 0.14 2z5xA1 ILE 349 HD13 -1.87 0.03 -0.01 -0.04 0.88 -1.02 2z5xA1 MET 350 H -0.18 0.86 0.31 -0.55 8.47 8.91 2z5xA1 MET 350 HA -0.03 0.17 0.91 -0.75 4.52 4.81 2z5xA1 MET 350 HB2 -0.03 -0.01 0.05 -0.04 2.15 2.11 2z5xA1 MET 350 HB3 -0.08 0.05 0.21 -0.04 2.03 2.17 2z5xA1 MET 350 HG2 0.06 0.02 -0.02 -0.04 2.63 2.64 2z5xA1 MET 350 HG3 0.07 -0.01 -0.04 -0.04 2.56 2.53 2z5xA1 MET 350 HE3 -0.23 0.00 -0.14 -0.04 2.10 1.69 2z5xA1 GLY 351 H 0.09 0.81 0.45 -0.55 8.43 9.23 2z5xA1 GLY 351 HA2 -0.07 0.29 1.06 -0.51 4.01 4.78 2z5xA1 GLY 351 HA3 0.15 -0.05 0.44 -0.51 4.01 4.05 2z5xA1 PHE 352 H 0.12 0.50 0.42 -0.55 8.34 8.82 2z5xA1 PHE 352 HA 0.11 0.32 1.23 -0.75 4.62 5.53 2z5xA1 PHE 352 HB2 0.10 -0.06 0.16 -0.04 3.15 3.31 2z5xA1 PHE 352 HB3 0.10 0.02 -0.14 -0.04 3.06 3.00 2z5xA1 PHE 352 HD2 0.17 0.07 -0.07 -0.04 7.28 7.41 2z5xA1 PHE 352 HE2 0.18 0.03 -0.07 -0.04 7.38 7.48 2z5xA1 PHE 352 HZ 0.16 -0.03 -0.08 -0.04 7.32 7.33 2z5xA1 ILE 353 H 0.19 0.71 0.40 -0.55 8.25 8.99 2z5xA1 ILE 353 HA 0.11 0.22 0.80 -0.75 4.18 4.56 2z5xA1 ILE 353 HB 0.09 -0.13 0.19 -0.04 1.89 2.00 2z5xA1 ILE 353 HG12 0.09 0.13 -0.32 -0.04 1.49 1.35 2z5xA1 ILE 353 HG13 0.13 -0.02 -0.25 -0.04 1.21 1.03 2z5xA1 ILE 353 HG23 0.05 0.03 -0.27 -0.04 0.93 0.70 2z5xA1 ILE 353 HD13 0.06 -0.01 -0.12 -0.04 0.88 0.78 2z5xA1 LEU 354 H 0.06 0.28 0.14 -0.55 8.37 8.30 2z5xA1 LEU 354 HA -0.03 0.37 0.86 -0.75 4.35 4.79 2z5xA1 LEU 354 HB2 0.08 -0.03 -0.01 -0.04 1.64 1.64 2z5xA1 LEU 354 HB3 0.02 -0.02 -0.16 -0.04 1.64 1.44 2z5xA1 LEU 354 HG -0.02 0.15 -0.02 -0.04 1.64 1.71 2z5xA1 LEU 354 HD13 0.06 -0.01 -0.22 -0.04 0.93 0.72 2z5xA1 LEU 354 HD23 0.19 -0.02 -0.17 -0.04 0.89 0.85 2z5xA1 ALA 355 H -0.06 0.63 0.32 -0.55 8.40 8.74 2z5xA1 ALA 355 HA -0.06 0.21 0.34 -0.75 4.34 4.09 2z5xA1 ALA 355 HB3 -0.05 0.00 -0.18 -0.04 1.41 1.14 2z5xA1 ARG 356 H -0.03 0.10 0.17 -0.55 8.46 8.15 2z5xA1 ARG 356 HA 0.00 0.07 0.46 -0.75 4.34 4.12 2z5xA1 ARG 356 HB2 0.00 -0.04 0.21 -0.04 1.90 2.03 2z5xA1 ARG 356 HB3 0.01 0.08 0.05 -0.04 1.80 1.90 2z5xA1 ARG 356 HG2 0.02 0.03 0.03 -0.04 1.67 1.71 2z5xA1 ARG 356 HG3 0.03 0.01 0.09 -0.04 1.67 1.76 2z5xA1 ARG 356 HD2 0.07 -0.06 0.06 -0.04 3.22 3.25 2z5xA1 ARG 356 HD3 0.02 0.03 0.02 -0.04 3.22 3.25 2z5xA1 LYS 357 H 0.01 0.17 -0.04 -0.55 8.42 8.02 2z5xA1 LYS 357 HA 0.02 -0.00 0.42 -0.75 4.32 4.00 2z5xA1 LYS 357 HB2 0.04 0.10 0.18 -0.04 1.87 2.14 2z5xA1 LYS 357 HB3 0.04 0.09 0.08 -0.04 1.79 1.96 2z5xA1 LYS 357 HG2 0.03 0.09 0.07 -0.04 1.46 1.61 2z5xA1 LYS 357 HG3 0.03 -0.16 0.07 -0.04 1.46 1.35 2z5xA1 LYS 357 HD2 0.05 0.13 0.10 -0.04 1.69 1.93 2z5xA1 LYS 357 HD3 0.05 -0.17 0.05 -0.04 1.68 1.57 2z5xA1 LYS 357 HE2 0.07 -0.18 -0.04 -0.04 2.99 2.80 2z5xA1 LYS 357 HE3 0.06 0.18 0.04 -0.04 2.99 3.22 2z5xA1 ALA 358 H 0.01 0.51 -0.74 -0.55 8.40 7.63 2z5xA1 ALA 358 HA 0.03 0.02 0.26 -0.75 4.34 3.89 2z5xA1 ALA 358 HB3 0.02 0.04 -0.36 -0.04 1.41 1.06 2z5xA1 ASP 359 H 0.01 0.36 -0.13 -0.55 8.40 8.08 2z5xA1 ASP 359 HA 0.00 0.05 0.40 -0.75 4.63 4.33 2z5xA1 ASP 359 HB2 0.01 0.06 0.14 -0.04 2.71 2.88 2z5xA1 ASP 359 HB3 0.00 0.01 0.00 -0.04 2.70 2.67 2z5xA1 ARG 360 H 0.01 0.52 -0.07 -0.55 8.46 8.36 2z5xA1 ARG 360 HA -0.00 0.02 0.39 -0.75 4.34 4.00 2z5xA1 ARG 360 HB2 0.01 0.01 0.04 -0.04 1.90 1.92 2z5xA1 ARG 360 HB3 0.01 0.13 0.18 -0.04 1.80 2.07 2z5xA1 ARG 360 HG2 0.01 0.05 -0.05 -0.04 1.67 1.64 2z5xA1 ARG 360 HG3 0.00 -0.02 -0.12 -0.04 1.67 1.48 2z5xA1 ARG 360 HD2 0.01 0.00 -0.04 -0.04 3.22 3.14 2z5xA1 ARG 360 HD3 0.00 -0.02 -0.03 -0.04 3.22 3.14 2z5xA1 LEU 361 H 0.01 0.70 -0.05 -0.55 8.37 8.48 2z5xA1 LEU 361 HA -0.00 -0.00 0.22 -0.75 4.35 3.81 2z5xA1 LEU 361 HB2 0.02 0.13 0.12 -0.04 1.64 1.87 2z5xA1 LEU 361 HB3 0.02 -0.08 0.02 -0.04 1.64 1.55 2z5xA1 LEU 361 HG 0.01 0.07 0.09 -0.04 1.64 1.78 2z5xA1 LEU 361 HD13 0.02 0.02 0.04 -0.04 0.93 0.97 2z5xA1 LEU 361 HD23 -0.00 -0.01 -0.05 -0.04 0.89 0.79 2z5xA1 ALA 362 H 0.00 0.34 -0.70 -0.55 8.40 7.49 2z5xA1 ALA 362 HA 0.00 -0.04 0.24 -0.75 4.34 3.79 2z5xA1 ALA 362 HB3 -0.00 0.05 0.06 -0.04 1.41 1.47 2z5xA1 LYS 363 H -0.02 0.38 -0.42 -0.55 8.42 7.81 2z5xA1 LYS 363 HA -0.06 0.06 0.55 -0.75 4.32 4.12 2z5xA1 LYS 363 HB2 -0.03 0.27 0.13 -0.04 1.87 2.19 2z5xA1 LYS 363 HB3 -0.05 -0.10 0.08 -0.04 1.79 1.68 2z5xA1 LYS 363 HG2 -0.03 -0.07 0.03 -0.04 1.46 1.34 2z5xA1 LYS 363 HG3 -0.03 0.01 -0.05 -0.04 1.46 1.35 2z5xA1 LYS 363 HD2 -0.02 -0.09 -0.01 -0.04 1.69 1.54 2z5xA1 LYS 363 HD3 -0.01 0.17 0.01 -0.04 1.68 1.80 2z5xA1 LYS 363 HE2 -0.02 0.24 0.10 -0.04 2.99 3.27 2z5xA1 LYS 363 HE3 -0.02 -0.08 0.01 -0.04 2.99 2.86 2z5xA1 LEU 364 H -0.04 0.38 -0.32 -0.55 8.37 7.85 2z5xA1 LEU 364 HA -0.10 0.03 0.66 -0.75 4.35 4.18 2z5xA1 LEU 364 HB2 -0.02 0.39 0.14 -0.04 1.64 2.11 2z5xA1 LEU 364 HB3 -0.01 -0.09 0.05 -0.04 1.64 1.55 2z5xA1 LEU 364 HG -0.02 -0.08 0.01 -0.04 1.64 1.51 2z5xA1 LEU 364 HD13 -0.02 0.03 -0.15 -0.04 0.93 0.74 2z5xA1 LEU 364 HD23 -0.01 -0.01 -0.08 -0.04 0.89 0.75 2z5xA1 HIS 365 H -0.01 0.05 0.14 -0.55 8.41 8.03 2z5xA1 HIS 365 HA -0.01 0.23 0.69 -0.75 4.63 4.79 2z5xA1 HIS 365 HB2 -0.02 -0.08 0.12 -0.04 3.26 3.24 2z5xA1 HIS 365 HB3 -0.01 -0.11 0.09 -0.04 3.20 3.13 2z5xA1 HIS 365 HD2 -0.01 -0.01 0.05 -0.04 6.97 6.95 2z5xA1 HIS 365 HE1 -0.01 0.03 0.01 -0.04 7.75 7.74 2z5xA1 LYS 366 H 0.11 0.22 0.14 -0.55 8.42 8.33 2z5xA1 LYS 366 HA 0.07 0.14 0.34 -0.75 4.32 4.12 2z5xA1 LYS 366 HB2 0.07 0.08 0.14 -0.04 1.87 2.12 2z5xA1 LYS 366 HB3 0.06 -0.02 0.11 -0.04 1.79 1.89 2z5xA1 LYS 366 HG2 0.16 -0.02 -0.14 -0.04 1.46 1.42 2z5xA1 LYS 366 HG3 0.26 0.01 0.00 -0.04 1.46 1.69 2z5xA1 LYS 366 HD2 0.07 0.03 0.01 -0.04 1.69 1.76 2z5xA1 LYS 366 HD3 0.07 -0.00 0.01 -0.04 1.68 1.71 2z5xA1 LYS 366 HE2 0.15 0.02 -0.04 -0.04 2.99 3.08 2z5xA1 LYS 366 HE3 0.12 -0.03 -0.09 -0.04 2.99 2.95 2z5xA1 GLU 367 H 0.02 0.11 -0.14 -0.55 8.60 8.04 2z5xA1 GLU 367 HA -0.11 0.12 0.31 -0.75 4.29 3.84 2z5xA1 GLU 367 HB2 -0.04 -0.02 0.09 -0.04 2.09 2.08 2z5xA1 GLU 367 HB3 -0.05 0.06 -0.01 -0.04 1.99 1.95 2z5xA1 GLU 367 HG2 -0.04 0.05 0.01 -0.04 2.34 2.31 2z5xA1 GLU 367 HG3 -0.07 0.04 0.02 -0.04 2.34 2.30 2z5xA1 ILE 368 H 0.03 0.04 -0.36 -0.55 8.25 7.41 2z5xA1 ILE 368 HA -0.04 0.10 0.64 -0.75 4.18 4.13 2z5xA1 ILE 368 HB 0.03 0.06 0.09 -0.04 1.89 2.02 2z5xA1 ILE 368 HG12 0.09 -0.13 0.03 -0.04 1.49 1.45 2z5xA1 ILE 368 HG13 0.09 0.04 0.05 -0.04 1.21 1.36 2z5xA1 ILE 368 HG23 -0.00 0.02 0.01 -0.04 0.93 0.92 2z5xA1 ILE 368 HD13 0.00 0.02 -0.06 -0.04 0.88 0.80 2z5xA1 ARG 369 H -0.03 0.53 -0.16 -0.55 8.46 8.26 2z5xA1 ARG 369 HA -0.05 0.05 0.49 -0.75 4.34 4.07 2z5xA1 ARG 369 HB2 0.00 0.15 0.03 -0.04 1.90 2.05 2z5xA1 ARG 369 HB3 -0.01 0.01 0.01 -0.04 1.80 1.77 2z5xA1 ARG 369 HG2 0.05 -0.05 -0.12 -0.04 1.67 1.51 2z5xA1 ARG 369 HG3 0.00 -0.02 0.00 -0.04 1.67 1.61 2z5xA1 ARG 369 HD2 0.05 -0.08 -0.18 -0.04 3.22 2.97 2z5xA1 ARG 369 HD3 0.02 0.35 -0.12 -0.04 3.22 3.42 2z5xA1 LYS 370 H -0.28 0.77 -0.00 -0.55 8.42 8.36 2z5xA1 LYS 370 HA -0.74 0.02 0.38 -0.75 4.32 3.22 2z5xA1 LYS 370 HB2 -0.93 0.01 0.03 -0.04 1.87 0.93 2z5xA1 LYS 370 HB3 -0.32 0.01 0.14 -0.04 1.79 1.57 2z5xA1 LYS 370 HG2 -0.26 0.04 -0.26 -0.04 1.46 0.93 2z5xA1 LYS 370 HG3 -0.52 -0.03 -0.07 -0.04 1.46 0.80 2z5xA1 LYS 370 HD2 -0.18 -0.00 -0.12 -0.04 1.69 1.34 2z5xA1 LYS 370 HD3 -0.31 -0.03 -0.08 -0.04 1.68 1.22 2z5xA1 LYS 370 HE2 -0.11 -0.05 -0.05 -0.04 2.99 2.75 2z5xA1 LYS 370 HE3 -0.12 0.04 -0.08 -0.04 2.99 2.79 2z5xA1 LYS 371 H -0.17 0.56 -0.13 -0.55 8.42 8.12 2z5xA1 LYS 371 HA -0.12 0.02 0.38 -0.75 4.32 3.85 2z5xA1 LYS 371 HB2 -0.08 0.01 0.15 -0.04 1.87 1.90 2z5xA1 LYS 371 HB3 -0.08 0.07 0.24 -0.04 1.79 1.98 2z5xA1 LYS 371 HG2 -0.06 0.01 -0.18 -0.04 1.46 1.19 2z5xA1 LYS 371 HG3 -0.06 -0.03 -0.01 -0.04 1.46 1.32 2z5xA1 LYS 371 HD2 -0.04 -0.02 0.02 -0.04 1.69 1.61 2z5xA1 LYS 371 HD3 -0.03 -0.02 -0.01 -0.04 1.68 1.57 2z5xA1 LYS 371 HE2 -0.04 -0.00 -0.00 -0.04 2.99 2.90 2z5xA1 LYS 371 HE3 -0.05 0.02 0.01 -0.04 2.99 2.94 2z5xA1 LYS 372 H -0.10 0.58 -0.22 -0.55 8.42 8.12 2z5xA1 LYS 372 HA -0.08 -0.04 0.36 -0.75 4.32 3.81 2z5xA1 LYS 372 HB2 -0.07 0.24 0.22 -0.04 1.87 2.22 2z5xA1 LYS 372 HB3 -0.06 -0.04 0.01 -0.04 1.79 1.65 2z5xA1 LYS 372 HG2 -0.03 -0.03 0.07 -0.04 1.46 1.42 2z5xA1 LYS 372 HG3 -0.04 -0.06 0.05 -0.04 1.46 1.38 2z5xA1 LYS 372 HD2 -0.03 0.06 -0.03 -0.04 1.69 1.65 2z5xA1 LYS 372 HD3 -0.02 0.01 0.00 -0.04 1.68 1.63 2z5xA1 LYS 372 HE2 -0.02 -0.03 -0.00 -0.04 2.99 2.90 2z5xA1 LYS 372 HE3 -0.01 -0.01 -0.02 -0.04 2.99 2.90 2z5xA1 ILE 373 H -0.19 0.53 -0.30 -0.55 8.25 7.74 2z5xA1 ILE 373 HA -0.28 -0.03 0.47 -0.75 4.18 3.58 2z5xA1 ILE 373 HB -0.26 0.19 0.17 -0.04 1.89 1.95 2z5xA1 ILE 373 HG12 -0.11 -0.10 -0.06 -0.04 1.49 1.17 2z5xA1 ILE 373 HG13 -0.11 0.08 -0.02 -0.04 1.21 1.12 2z5xA1 ILE 373 HG23 -0.57 -0.02 -0.18 -0.04 0.93 0.12 2z5xA1 ILE 373 HD13 0.06 -0.02 -0.19 -0.04 0.88 0.68 2z5xA1 CYS 374 H -0.20 0.64 0.02 -0.55 8.50 8.41 2z5xA1 CYS 374 HA -0.05 0.01 0.38 -0.75 4.58 4.17 2z5xA1 CYS 374 HB2 -0.09 0.12 0.18 -0.04 2.97 3.14 2z5xA1 CYS 374 HB3 -0.01 -0.03 -0.04 -0.04 2.97 2.84 2z5xA1 GLU 375 H -0.10 0.49 -0.23 -0.55 8.60 8.21 2z5xA1 GLU 375 HA -0.03 -0.01 0.35 -0.75 4.29 3.84 2z5xA1 GLU 375 HB2 -0.06 0.07 0.06 -0.04 2.09 2.12 2z5xA1 GLU 375 HB3 -0.07 0.15 0.11 -0.04 1.99 2.14 2z5xA1 GLU 375 HG2 -0.03 -0.01 -0.16 -0.04 2.34 2.10 2z5xA1 GLU 375 HG3 -0.03 -0.05 -0.03 -0.04 2.34 2.20 2z5xA1 LEU 376 H -0.11 0.51 -0.12 -0.55 8.37 8.11 2z5xA1 LEU 376 HA -0.09 -0.02 0.45 -0.75 4.35 3.94 2z5xA1 LEU 376 HB2 -0.08 0.03 0.17 -0.04 1.64 1.73 2z5xA1 LEU 376 HB3 -0.16 0.17 0.22 -0.04 1.64 1.83 2z5xA1 LEU 376 HG 0.07 -0.01 -0.31 -0.04 1.64 1.36 2z5xA1 LEU 376 HD13 -0.22 -0.02 -0.02 -0.04 0.93 0.62 2z5xA1 LEU 376 HD23 0.01 0.02 -0.01 -0.04 0.89 0.87 2z5xA1 TYR 377 H -0.05 0.66 -0.22 -0.55 8.29 8.13 2z5xA1 TYR 377 HA -0.05 -0.04 0.23 -0.75 4.56 3.96 2z5xA1 TYR 377 HB2 0.10 0.15 0.10 -0.04 3.06 3.37 2z5xA1 TYR 377 HB3 0.11 -0.09 -0.05 -0.04 2.98 2.90 2z5xA1 TYR 377 HD2 0.08 -0.05 -0.13 -0.04 7.15 7.01 2z5xA1 TYR 377 HE2 0.00 -0.03 -0.10 -0.04 6.85 6.68 2z5xA1 ALA 378 H 0.10 0.71 -0.13 -0.55 8.40 8.53 2z5xA1 ALA 378 HA 0.06 0.12 0.45 -0.75 4.34 4.22 2z5xA1 ALA 378 HB3 0.01 -0.02 -0.02 -0.04 1.41 1.33 2z5xA1 LYS 379 H 0.00 0.59 -0.19 -0.55 8.42 8.28 2z5xA1 LYS 379 HA 0.03 -0.03 0.37 -0.75 4.32 3.93 2z5xA1 LYS 379 HB2 -0.01 -0.03 0.09 -0.04 1.87 1.88 2z5xA1 LYS 379 HB3 -0.10 0.16 0.24 -0.04 1.79 2.05 2z5xA1 LYS 379 HG2 -0.16 -0.07 -0.05 -0.04 1.46 1.13 2z5xA1 LYS 379 HG3 0.03 0.04 -0.21 -0.04 1.46 1.28 2z5xA1 LYS 379 HD2 0.05 -0.02 -0.00 -0.04 1.69 1.68 2z5xA1 LYS 379 HD3 0.09 -0.06 -0.03 -0.04 1.68 1.64 2z5xA1 LYS 379 HE2 0.34 0.06 -0.04 -0.04 2.99 3.31 2z5xA1 LYS 379 HE3 0.13 0.00 0.01 -0.04 2.99 3.09 2z5xA1 VAL 380 H -0.09 0.77 -0.06 -0.55 8.24 8.31 2z5xA1 VAL 380 HA -0.05 -0.02 0.04 -0.75 4.13 3.35 2z5xA1 VAL 380 HB -0.08 0.03 0.00 -0.04 2.12 2.03 2z5xA1 VAL 380 HG13 -0.06 -0.02 -0.29 -0.04 0.97 0.56 2z5xA1 VAL 380 HG23 -0.61 0.02 -0.10 -0.04 0.95 0.21 2z5xA1 LEU 381 H 0.05 0.77 -0.06 -0.55 8.37 8.59 2z5xA1 LEU 381 HA -0.13 0.10 0.50 -0.75 4.35 4.06 2z5xA1 LEU 381 HB2 0.31 0.02 -0.06 -0.04 1.64 1.86 2z5xA1 LEU 381 HB3 0.33 -0.05 0.03 -0.04 1.64 1.91 2z5xA1 LEU 381 HG -0.05 0.03 -0.06 -0.04 1.64 1.51 2z5xA1 LEU 381 HD13 0.07 -0.04 -0.13 -0.04 0.93 0.79 2z5xA1 LEU 381 HD23 -0.18 -0.01 -0.18 -0.04 0.89 0.47 2z5xA1 GLY 382 H 0.07 0.38 -0.64 -0.55 8.43 7.70 2z5xA1 GLY 382 HA2 0.07 0.08 0.34 -0.51 4.01 3.99 2z5xA1 GLY 382 HA3 0.12 -0.04 0.37 -0.51 4.01 3.94 2z5xA1 SER 383 H 0.06 0.46 -0.01 -0.55 8.46 8.43 2z5xA1 SER 383 HA 0.01 0.10 0.65 -0.75 4.49 4.50 2z5xA1 SER 383 HB2 0.12 0.29 -0.15 -0.04 3.95 4.17 2z5xA1 SER 383 HB3 0.10 -0.02 -0.18 -0.04 3.93 3.79 2z5xA1 GLN 384 H -0.04 0.25 0.10 -0.55 8.47 8.24 2z5xA1 GLN 384 HA -0.02 0.12 0.34 -0.75 4.36 4.05 2z5xA1 GLN 384 HB2 0.00 0.02 0.06 -0.04 2.15 2.19 2z5xA1 GLN 384 HB3 0.07 0.03 0.07 -0.04 2.02 2.15 2z5xA1 GLN 384 HG2 0.01 0.04 -0.01 -0.04 2.40 2.40 2z5xA1 GLN 384 HG3 0.03 0.03 -0.01 -0.04 2.39 2.39 2z5xA1 GLN 384 HE21 0.00 0.03 -0.12 -0.04 6.97 6.85 2z5xA1 GLN 384 HE22 0.01 0.00 -0.04 -0.04 7.69 7.62 2z5xA1 GLU 385 H -0.29 0.08 -0.52 -0.55 8.60 7.32 2z5xA1 GLU 385 HA -0.01 0.15 0.36 -0.75 4.29 4.04 2z5xA1 GLU 385 HB2 -0.40 -0.01 0.02 -0.04 2.09 1.67 2z5xA1 GLU 385 HB3 -1.13 0.01 -0.08 -0.04 1.99 0.75 2z5xA1 GLU 385 HG2 -0.07 0.05 0.07 -0.04 2.34 2.36 2z5xA1 GLU 385 HG3 -0.10 0.02 -0.00 -0.04 2.34 2.21 2z5xA1 ALA 386 H -0.45 0.32 -0.44 -0.55 8.40 7.29 2z5xA1 ALA 386 HA -0.17 0.03 0.27 -0.75 4.34 3.72 2z5xA1 ALA 386 HB3 0.15 0.02 -0.07 -0.04 1.41 1.47 2z5xA1 LEU 387 H -0.07 0.40 -0.61 -0.55 8.37 7.54 2z5xA1 LEU 387 HA -0.06 0.07 0.40 -0.75 4.35 4.01 2z5xA1 LEU 387 HB2 -0.46 0.12 0.01 -0.04 1.64 1.27 2z5xA1 LEU 387 HB3 -0.28 -0.04 0.11 -0.04 1.64 1.39 2z5xA1 LEU 387 HG -0.06 -0.06 -0.06 -0.04 1.64 1.42 2z5xA1 LEU 387 HD13 -0.04 -0.00 -0.01 -0.04 0.93 0.83 2z5xA1 LEU 387 HD23 -0.05 0.00 -0.25 -0.04 0.89 0.56 2z5xA1 HIS 388 H 0.17 0.39 -0.55 -0.55 8.41 7.88 2z5xA1 HIS 388 HA 0.11 0.24 0.90 -0.75 4.63 5.12 2z5xA1 HIS 388 HB2 0.11 -0.04 0.18 -0.04 3.26 3.46 2z5xA1 HIS 388 HB3 0.09 -0.02 0.11 -0.04 3.20 3.33 2z5xA1 HIS 388 HD2 -0.03 0.04 -0.01 -0.04 6.97 6.92 2z5xA1 HIS 388 HE1 0.01 -0.04 -0.05 -0.04 7.75 7.62 2z5xA1 PRO 389 HA -0.28 0.16 0.66 -0.51 4.44 4.47 2z5xA1 PRO 389 HB2 -0.05 -0.04 -0.04 -0.04 2.28 2.10 2z5xA1 PRO 389 HB3 -0.23 0.00 0.09 -0.04 2.02 1.84 2z5xA1 PRO 389 HG2 0.01 -0.01 -0.02 -0.04 2.03 1.97 2z5xA1 PRO 389 HG3 -0.03 -0.01 -0.04 -0.04 2.03 1.91 2z5xA1 PRO 389 HD2 0.03 0.30 -0.65 -0.04 3.68 3.32 2z5xA1 PRO 389 HD3 0.22 0.30 -0.12 -0.04 3.65 4.01 2z5xA1 VAL 390 H 0.06 0.51 0.25 -0.55 8.24 8.51 2z5xA1 VAL 390 HA 0.11 0.17 0.78 -0.75 4.13 4.44 2z5xA1 VAL 390 HB 0.12 -0.02 0.03 -0.04 2.12 2.21 2z5xA1 VAL 390 HG13 0.14 -0.00 -0.03 -0.04 0.97 1.04 2z5xA1 VAL 390 HG23 0.18 0.01 -0.37 -0.04 0.95 0.74 2z5xA1 HIS 391 H 0.12 0.31 0.13 -0.55 8.41 8.42 2z5xA1 HIS 391 HA -0.01 0.09 0.37 -0.75 4.63 4.31 2z5xA1 HIS 391 HB2 -0.07 0.17 -0.14 -0.04 3.26 3.19 2z5xA1 HIS 391 HB3 -0.06 -0.01 -0.14 -0.04 3.20 2.95 2z5xA1 HIS 391 HD2 -0.45 0.03 -0.31 -0.04 6.97 6.19 2z5xA1 HIS 391 HE1 -0.26 -0.01 -0.01 -0.04 7.75 7.43 2z5xA1 TYR 392 H -0.92 0.27 0.12 -0.55 8.29 7.21 2z5xA1 TYR 392 HA -0.07 0.32 1.02 -0.75 4.56 5.09 2z5xA1 TYR 392 HB2 -0.11 0.04 -0.15 -0.04 3.06 2.79 2z5xA1 TYR 392 HB3 -0.18 -0.06 0.03 -0.04 2.98 2.73 2z5xA1 TYR 392 HD2 -0.07 -0.01 -0.11 -0.04 7.15 6.92 2z5xA1 TYR 392 HE2 -0.03 -0.04 -0.15 -0.04 6.85 6.59 2z5xA1 GLU 393 H -0.36 0.67 0.33 -0.55 8.60 8.69 2z5xA1 GLU 393 HA -0.27 0.09 0.77 -0.75 4.29 4.12 2z5xA1 GLU 393 HB2 0.12 -0.02 -0.12 -0.04 2.09 2.04 2z5xA1 GLU 393 HB3 0.02 -0.01 0.05 -0.04 1.99 2.02 2z5xA1 GLU 393 HG2 0.07 -0.01 -0.13 -0.04 2.34 2.22 2z5xA1 GLU 393 HG3 -0.04 0.04 -0.05 -0.04 2.34 2.24 2z5xA1 GLU 394 H -0.25 0.24 0.19 -0.55 8.60 8.23 2z5xA1 GLU 394 HA -0.16 0.27 0.47 -0.75 4.29 4.13 2z5xA1 GLU 394 HB2 -0.04 0.06 0.07 -0.04 2.09 2.15 2z5xA1 GLU 394 HB3 -0.48 0.01 -0.01 -0.04 1.99 1.47 2z5xA1 GLU 394 HG2 -0.09 -0.05 -0.03 -0.04 2.34 2.14 2z5xA1 GLU 394 HG3 -0.05 -0.00 -0.20 -0.04 2.34 2.05 2z5xA1 LYS 395 H 0.01 0.66 0.29 -0.55 8.42 8.83 2z5xA1 LYS 395 HA -0.18 0.11 0.79 -0.75 4.32 4.28 2z5xA1 LYS 395 HB2 -0.06 -0.03 -0.04 -0.04 1.87 1.70 2z5xA1 LYS 395 HB3 0.11 0.10 0.18 -0.04 1.79 2.13 2z5xA1 LYS 395 HG2 -1.43 0.04 -0.17 -0.04 1.46 -0.14 2z5xA1 LYS 395 HG3 -1.00 0.02 -0.31 -0.04 1.46 0.13 2z5xA1 LYS 395 HD2 -0.22 0.03 0.01 -0.04 1.69 1.48 2z5xA1 LYS 395 HD3 -0.14 -0.04 -0.09 -0.04 1.68 1.36 2z5xA1 LYS 395 HE2 -0.85 -0.02 -0.09 -0.04 2.99 1.99 2z5xA1 LYS 395 HE3 -0.76 0.05 -0.10 -0.04 2.99 2.13 2z5xA1 ASN 396 H -0.21 0.21 0.09 -0.55 8.53 8.08 2z5xA1 ASN 396 HA -0.00 0.14 0.87 -0.75 4.76 5.01 2z5xA1 ASN 396 HB2 -0.04 0.05 0.07 -0.04 2.88 2.92 2z5xA1 ASN 396 HB3 -0.09 0.00 0.19 -0.04 2.79 2.85 2z5xA1 ASN 396 HD21 -0.01 0.07 -0.02 -0.04 7.03 7.03 2z5xA1 ASN 396 HD22 -0.01 0.06 0.02 -0.04 7.74 7.77 2z5xA1 TRP 397 H 0.21 0.69 0.40 -0.55 7.97 8.73 2z5xA1 TRP 397 HA 0.02 0.11 0.56 -0.75 4.62 4.55 2z5xA1 TRP 397 HB2 -0.02 0.03 0.10 -0.04 3.23 3.30 2z5xA1 TRP 397 HB3 0.01 -0.03 -0.08 -0.04 3.23 3.09 2z5xA1 TRP 397 HD1 0.00 0.03 0.00 -0.04 7.22 7.22 2z5xA1 TRP 397 HE1 0.06 0.68 0.14 -0.04 10.20 11.04 2z5xA1 TRP 397 HE3 0.04 -0.07 -0.04 -0.04 7.59 7.49 2z5xA1 TRP 397 HZ2 0.18 -0.09 -0.44 -0.04 7.44 7.04 2z5xA1 TRP 397 HZ3 0.05 0.00 -0.11 -0.04 7.13 7.03 2z5xA1 TRP 397 HH2 0.14 0.12 -0.18 -0.04 7.19 7.23 2z5xA1 CYS 398 H 0.10 0.13 -0.00 -0.55 8.50 8.18 2z5xA1 CYS 398 HA 0.06 0.21 0.42 -0.75 4.58 4.52 2z5xA1 CYS 398 HB2 0.01 0.02 -0.08 -0.04 2.97 2.88 2z5xA1 CYS 398 HB3 0.02 0.09 0.04 -0.04 2.97 3.08 2z5xA1 GLU 399 H -0.02 0.11 -0.57 -0.55 8.60 7.58 2z5xA1 GLU 399 HA -0.03 0.20 0.53 -0.75 4.29 4.23 2z5xA1 GLU 399 HB2 -0.07 0.03 0.02 -0.04 2.09 2.02 2z5xA1 GLU 399 HB3 -0.05 -0.00 0.12 -0.04 1.99 2.02 2z5xA1 GLU 399 HG2 -0.03 0.06 -0.13 -0.04 2.34 2.21 2z5xA1 GLU 399 HG3 -0.03 -0.12 -0.09 -0.04 2.34 2.06 2z5xA1 GLU 400 H 0.02 0.50 -0.32 -0.55 8.60 8.25 2z5xA1 GLU 400 HA -0.06 0.08 0.89 -0.75 4.29 4.44 2z5xA1 GLU 400 HB2 0.25 0.11 0.17 -0.04 2.09 2.59 2z5xA1 GLU 400 HB3 0.16 -0.12 -0.03 -0.04 1.99 1.96 2z5xA1 GLU 400 HG2 -0.28 0.10 0.04 -0.04 2.34 2.15 2z5xA1 GLU 400 HG3 -0.45 0.00 -0.03 -0.04 2.34 1.81 2z5xA1 GLN 401 H -0.11 0.20 0.17 -0.55 8.47 8.18 2z5xA1 GLN 401 HA -0.14 0.19 0.21 -0.75 4.36 3.86 2z5xA1 GLN 401 HB2 -0.30 0.07 0.07 -0.04 2.15 1.95 2z5xA1 GLN 401 HB3 -0.20 0.07 0.11 -0.04 2.02 1.96 2z5xA1 GLN 401 HG2 -0.43 -0.12 0.08 -0.04 2.40 1.90 2z5xA1 GLN 401 HG3 -1.43 0.04 -0.27 -0.04 2.39 0.68 2z5xA1 GLN 401 HE21 -0.07 0.03 0.01 -0.04 6.97 6.90 2z5xA1 GLN 401 HE22 -0.11 -0.04 0.04 -0.04 7.69 7.53 2z5xA1 TYR 402 H -0.05 0.03 -0.12 -0.55 8.29 7.60 2z5xA1 TYR 402 HA 0.02 0.28 0.76 -0.75 4.56 4.86 2z5xA1 TYR 402 HB2 0.02 -0.04 0.04 -0.04 3.06 3.04 2z5xA1 TYR 402 HB3 0.02 -0.05 0.17 -0.04 2.98 3.07 2z5xA1 TYR 402 HD2 -0.01 0.01 -0.01 -0.04 7.15 7.10 2z5xA1 TYR 402 HE2 -0.02 0.06 -0.05 -0.04 6.85 6.80 2z5xA1 SER 403 H 0.10 0.25 -0.54 -0.55 8.46 7.72 2z5xA1 SER 403 HA 0.15 0.15 0.84 -0.75 4.49 4.87 2z5xA1 SER 403 HB2 0.36 -0.00 0.07 -0.04 3.95 4.33 2z5xA1 SER 403 HB3 0.23 0.15 0.05 -0.04 3.93 4.31 2z5xA1 GLY 404 H 0.08 0.64 0.17 -0.55 8.43 8.78 2z5xA1 GLY 404 HA2 0.02 0.09 0.35 -0.51 4.01 3.95 2z5xA1 GLY 404 HA3 0.02 0.04 0.56 -0.51 4.01 4.12 2z5xA1 GLY 405 H 0.16 0.03 -0.27 -0.55 8.43 7.80 2z5xA1 GLY 405 HA2 0.16 -0.14 -0.03 -0.51 4.01 3.49 2z5xA1 GLY 405 HA3 0.06 0.36 0.43 -0.51 4.01 4.35 2z5xA1 CYS 406 H 0.01 0.45 -0.05 -0.55 8.50 8.36 2z5xA1 CYS 406 HA -0.04 0.16 0.43 -0.75 4.58 4.37 2z5xA1 CYS 406 HB2 -0.06 -0.12 -0.16 -0.04 2.97 2.60 2z5xA1 CYS 406 HB3 -0.19 0.03 -0.07 -0.04 2.97 2.70 2z5xA1 TYR 407 H -0.66 0.21 0.02 -0.55 8.29 7.30 2z5xA1 TYR 407 HA -0.20 -0.00 0.38 -0.75 4.56 3.98 2z5xA1 TYR 407 HB2 -0.05 0.12 0.01 -0.04 3.06 3.09 2z5xA1 TYR 407 HB3 -0.16 -0.01 0.14 -0.04 2.98 2.91 2z5xA1 TYR 407 HD2 -0.15 0.03 0.01 -0.04 7.15 6.99 2z5xA1 TYR 407 HE2 -0.34 0.11 -0.02 -0.04 6.85 6.56 2z5xA1 THR 408 H 0.06 0.24 -0.36 -0.55 8.28 7.68 2z5xA1 THR 408 HA 0.12 0.12 0.71 -0.75 4.39 4.59 2z5xA1 THR 408 HB 0.26 0.08 -0.41 -0.04 4.32 4.21 2z5xA1 THR 408 HG23 0.44 0.08 -0.14 -0.04 1.22 1.56 2z5xA1 ALA 409 H 0.17 0.03 0.09 -0.55 8.40 8.14 2z5xA1 ALA 409 HA -0.09 0.26 0.67 -0.75 4.34 4.43 2z5xA1 ALA 409 HB3 -0.08 -0.00 -0.02 -0.04 1.41 1.26 2z5xA1 TYR 410 H -0.45 0.72 0.22 -0.55 8.29 8.22 2z5xA1 TYR 410 HA -1.26 0.11 0.75 -0.75 4.56 3.40 2z5xA1 TYR 410 HB2 -0.58 -0.11 -0.00 -0.04 3.06 2.33 2z5xA1 TYR 410 HB3 -0.14 0.05 -0.05 -0.04 2.98 2.80 2z5xA1 TYR 410 HD2 -0.15 -0.00 -0.41 -0.04 7.15 6.55 2z5xA1 TYR 410 HE2 -0.09 0.10 -0.12 -0.04 6.85 6.71 2z5xA1 PHE 411 H -1.78 0.08 0.09 -0.55 8.34 6.18 2z5xA1 PHE 411 HA -0.37 0.31 0.89 -0.75 4.62 4.70 2z5xA1 PHE 411 HB2 -0.80 -0.11 0.18 -0.04 3.15 2.38 2z5xA1 PHE 411 HB3 -0.09 -0.06 0.03 -0.04 3.06 2.89 2z5xA1 PHE 411 HD2 -0.57 -0.09 -0.15 -0.04 7.28 6.43 2z5xA1 PHE 411 HE2 0.02 0.03 -0.13 -0.04 7.38 7.26 2z5xA1 PHE 411 HZ 0.01 0.08 -0.04 -0.04 7.32 7.33 2z5xA1 PRO 412 HA 0.15 0.31 0.75 -0.51 4.44 5.14 2z5xA1 PRO 412 HB2 0.05 0.03 -0.02 -0.04 2.28 2.30 2z5xA1 PRO 412 HB3 0.08 0.03 0.17 -0.04 2.02 2.26 2z5xA1 PRO 412 HG2 -0.09 0.15 0.19 -0.04 2.03 2.25 2z5xA1 PRO 412 HG3 -0.02 0.02 0.13 -0.04 2.03 2.12 2z5xA1 PRO 412 HD2 -0.18 0.01 0.29 -0.04 3.68 3.77 2z5xA1 PRO 412 HD3 -0.35 0.36 0.27 -0.04 3.65 3.89 2z5xA1 PRO 413 HA 0.16 0.04 0.37 -0.51 4.44 4.51 2z5xA1 PRO 413 HB2 0.09 -0.01 0.01 -0.04 2.28 2.32 2z5xA1 PRO 413 HB3 0.11 0.19 -0.08 -0.04 2.02 2.20 2z5xA1 PRO 413 HG2 0.09 0.02 -0.04 -0.04 2.03 2.06 2z5xA1 PRO 413 HG3 0.12 0.04 -0.20 -0.04 2.03 1.95 2z5xA1 PRO 413 HD2 0.09 0.12 0.11 -0.04 3.68 3.95 2z5xA1 PRO 413 HD3 0.10 0.22 -0.11 -0.04 3.65 3.83 2z5xA1 GLY 414 H 0.13 0.32 0.14 -0.55 8.43 8.47 2z5xA1 GLY 414 HA2 0.06 -0.03 0.31 -0.51 4.01 3.83 2z5xA1 GLY 414 HA3 0.05 0.21 0.54 -0.51 4.01 4.30 2z5xA1 ILE 415 H 0.14 0.70 -0.37 -0.55 8.25 8.17 2z5xA1 ILE 415 HA 0.09 0.06 0.11 -0.75 4.18 3.70 2z5xA1 ILE 415 HB 0.14 0.04 0.11 -0.04 1.89 2.14 2z5xA1 ILE 415 HG12 0.05 0.14 -0.00 -0.04 1.49 1.64 2z5xA1 ILE 415 HG13 -0.03 0.15 0.05 -0.04 1.21 1.35 2z5xA1 ILE 415 HG23 0.04 0.01 -0.09 -0.04 0.93 0.84 2z5xA1 ILE 415 HD13 0.15 -0.04 -0.09 -0.04 0.88 0.86 2z5xA1 MET 416 H 0.25 0.10 -0.18 -0.55 8.47 8.09 2z5xA1 MET 416 HA 0.29 0.12 0.26 -0.75 4.52 4.44 2z5xA1 MET 416 HB2 -0.07 0.04 0.03 -0.04 2.15 2.12 2z5xA1 MET 416 HB3 0.14 -0.09 0.05 -0.04 2.03 2.09 2z5xA1 MET 416 HG2 0.08 -0.01 -0.24 -0.04 2.63 2.42 2z5xA1 MET 416 HG3 0.19 0.03 -0.49 -0.04 2.56 2.25 2z5xA1 MET 416 HE3 -0.23 0.00 -0.16 -0.04 2.10 1.68 2z5xA1 THR 417 H 0.09 0.05 -0.14 -0.55 8.28 7.74 2z5xA1 THR 417 HA 0.08 0.11 0.57 -0.75 4.39 4.41 2z5xA1 THR 417 HB 0.02 0.04 0.02 -0.04 4.32 4.36 2z5xA1 THR 417 HG23 0.10 -0.01 -0.15 -0.04 1.22 1.12 2z5xA1 GLN 418 H -0.08 0.33 -0.27 -0.55 8.47 7.91 2z5xA1 GLN 418 HA -0.26 0.08 0.61 -0.75 4.36 4.04 2z5xA1 GLN 418 HB2 -0.28 0.18 0.09 -0.04 2.15 2.09 2z5xA1 GLN 418 HB3 -1.02 0.01 -0.01 -0.04 2.02 0.96 2z5xA1 GLN 418 HG2 -0.70 -0.02 0.00 -0.04 2.40 1.64 2z5xA1 GLN 418 HG3 -0.29 -0.04 0.02 -0.04 2.39 2.04 2z5xA1 GLN 418 HE21 -0.06 -0.01 -0.05 -0.04 6.97 6.82 2z5xA1 GLN 418 HE22 -0.17 0.04 -0.07 -0.04 7.69 7.45 2z5xA1 TYR 419 H -0.05 0.75 0.13 -0.55 8.29 8.57 2z5xA1 TYR 419 HA -0.12 0.20 1.02 -0.75 4.56 4.91 2z5xA1 TYR 419 HB2 -0.07 0.06 -0.05 -0.04 3.06 2.96 2z5xA1 TYR 419 HB3 -0.10 0.03 0.08 -0.04 2.98 2.95 2z5xA1 TYR 419 HD2 -0.07 -0.00 -0.04 -0.04 7.15 7.00 2z5xA1 TYR 419 HE2 -0.04 -0.01 -0.07 -0.04 6.85 6.68 2z5xA1 GLY 420 H 0.02 0.27 0.13 -0.55 8.43 8.31 2z5xA1 GLY 420 HA2 0.13 0.05 0.33 -0.51 4.01 4.01 2z5xA1 GLY 420 HA3 0.06 0.04 0.41 -0.51 4.01 4.01 2z5xA1 ARG 421 H -0.67 0.17 -0.34 -0.55 8.46 7.06 2z5xA1 ARG 421 HA -3.34 0.03 0.23 -0.75 4.34 0.51 2z5xA1 ARG 421 HB2 -0.53 0.02 -0.13 -0.04 1.90 1.22 2z5xA1 ARG 421 HB3 -0.82 0.01 0.03 -0.04 1.80 0.98 2z5xA1 ARG 421 HG2 -1.20 -0.02 -0.03 -0.04 1.67 0.38 2z5xA1 ARG 421 HG3 -0.88 -0.01 -0.04 -0.04 1.67 0.70 2z5xA1 ARG 421 HD2 -0.22 -0.01 -0.03 -0.04 3.22 2.92 2z5xA1 ARG 421 HD3 -0.27 0.09 -0.06 -0.04 3.22 2.94 2z5xA1 VAL 422 H -0.32 0.31 -0.33 -0.55 8.24 7.34 2z5xA1 VAL 422 HA -0.16 0.15 0.76 -0.75 4.13 4.12 2z5xA1 VAL 422 HB -0.17 0.04 0.13 -0.04 2.12 2.09 2z5xA1 VAL 422 HG13 -0.14 -0.02 -0.08 -0.04 0.97 0.69 2z5xA1 VAL 422 HG23 -0.15 0.01 -0.09 -0.04 0.95 0.68 2z5xA1 ILE 423 H -0.16 0.39 -0.40 -0.55 8.25 7.54 2z5xA1 ILE 423 HA -0.07 0.00 0.16 -0.75 4.18 3.52 2z5xA1 ILE 423 HB 0.15 0.01 0.11 -0.04 1.89 2.11 2z5xA1 ILE 423 HG12 0.24 0.13 -0.00 -0.04 1.49 1.81 2z5xA1 ILE 423 HG13 0.13 0.01 -0.16 -0.04 1.21 1.15 2z5xA1 ILE 423 HG23 0.21 0.01 0.01 -0.04 0.93 1.13 2z5xA1 ILE 423 HD13 0.13 -0.05 -0.04 -0.04 0.88 0.89 2z5xA1 ARG 424 H 0.09 0.05 -0.23 -0.55 8.46 7.82 2z5xA1 ARG 424 HA 0.07 0.27 1.03 -0.75 4.34 4.95 2z5xA1 ARG 424 HB2 0.25 0.04 0.20 -0.04 1.90 2.34 2z5xA1 ARG 424 HB3 0.23 0.00 -0.08 -0.04 1.80 1.92 2z5xA1 ARG 424 HG2 0.28 -0.06 -0.02 -0.04 1.67 1.83 2z5xA1 ARG 424 HG3 0.30 -0.02 -0.20 -0.04 1.67 1.71 2z5xA1 ARG 424 HD2 0.56 -0.07 0.00 -0.04 3.22 3.66 2z5xA1 ARG 424 HD3 0.41 0.31 0.06 -0.04 3.22 3.96 2z5xA1 GLN 425 H -0.02 0.08 -0.21 -0.55 8.47 7.77 2z5xA1 GLN 425 HA 0.11 0.07 0.59 -0.75 4.36 4.38 2z5xA1 GLN 425 HB2 0.00 -0.04 0.14 -0.04 2.15 2.21 2z5xA1 GLN 425 HB3 -0.09 0.03 0.14 -0.04 2.02 2.06 2z5xA1 GLN 425 HG2 -0.02 0.26 -0.12 -0.04 2.40 2.47 2z5xA1 GLN 425 HG3 0.03 -0.01 0.09 -0.04 2.39 2.45 2z5xA1 GLN 425 HE21 -0.05 -0.10 0.01 -0.04 6.97 6.78 2z5xA1 GLN 425 HE22 -0.05 0.05 0.02 -0.04 7.69 7.67 2z5xA1 PRO 426 HA 0.13 0.18 0.68 -0.51 4.44 4.92 2z5xA1 PRO 426 HB2 -0.17 -0.06 -0.02 -0.04 2.28 1.99 2z5xA1 PRO 426 HB3 -0.91 0.15 0.05 -0.04 2.02 1.27 2z5xA1 PRO 426 HG2 0.18 -0.02 0.11 -0.04 2.03 2.26 2z5xA1 PRO 426 HG3 0.31 0.02 0.14 -0.04 2.03 2.46 2z5xA1 PRO 426 HD2 0.12 -0.00 0.28 -0.04 3.68 4.03 2z5xA1 PRO 426 HD3 0.21 0.25 0.32 -0.04 3.65 4.40 2z5xA1 VAL 427 H 0.16 0.37 0.13 -0.55 8.24 8.36 2z5xA1 VAL 427 HA -0.03 0.06 0.63 -0.75 4.13 4.04 2z5xA1 VAL 427 HB 0.01 -0.02 0.15 -0.04 2.12 2.23 2z5xA1 VAL 427 HG13 -0.05 -0.01 -0.03 -0.04 0.97 0.84 2z5xA1 VAL 427 HG23 -0.03 0.02 -0.02 -0.04 0.95 0.88 2z5xA1 GLY 428 H -0.05 0.13 -0.04 -0.55 8.43 7.93 2z5xA1 GLY 428 HA2 -0.03 0.02 0.33 -0.51 4.01 3.82 2z5xA1 GLY 428 HA3 -0.04 0.03 0.38 -0.51 4.01 3.87 2z5xA1 ARG 429 H -0.05 0.13 0.23 -0.55 8.46 8.21 2z5xA1 ARG 429 HA -0.01 0.24 0.86 -0.75 4.34 4.67 2z5xA1 ARG 429 HB2 -0.10 0.02 0.22 -0.04 1.90 2.00 2z5xA1 ARG 429 HB3 -0.13 0.03 0.38 -0.04 1.80 2.03 2z5xA1 ARG 429 HG2 0.05 -0.00 0.00 -0.04 1.67 1.68 2z5xA1 ARG 429 HG3 -0.02 -0.14 -0.15 -0.04 1.67 1.32 2z5xA1 ARG 429 HD2 -0.45 0.22 0.17 -0.04 3.22 3.11 2z5xA1 ARG 429 HD3 -0.13 -0.08 0.05 -0.04 3.22 3.02 2z5xA1 ILE 430 H -0.23 0.65 -0.21 -0.55 8.25 7.91 2z5xA1 ILE 430 HA -0.11 0.19 0.90 -0.75 4.18 4.40 2z5xA1 ILE 430 HB -0.21 0.01 0.18 -0.04 1.89 1.83 2z5xA1 ILE 430 HG12 0.00 -0.03 -0.10 -0.04 1.49 1.32 2z5xA1 ILE 430 HG13 -0.04 -0.03 -0.07 -0.04 1.21 1.03 2z5xA1 ILE 430 HG23 -0.60 -0.02 -0.11 -0.04 0.93 0.16 2z5xA1 ILE 430 HD13 0.12 -0.01 -0.09 -0.04 0.88 0.86 2z5xA1 PHE 431 H -0.01 0.72 0.47 -0.55 8.34 8.96 2z5xA1 PHE 431 HA 0.03 0.17 0.80 -0.75 4.62 4.87 2z5xA1 PHE 431 HB2 -0.07 -0.05 0.10 -0.04 3.15 3.10 2z5xA1 PHE 431 HB3 -0.02 0.00 0.11 -0.04 3.06 3.11 2z5xA1 PHE 431 HD2 0.05 0.06 -0.05 -0.04 7.28 7.29 2z5xA1 PHE 431 HE2 0.21 -0.00 -0.06 -0.04 7.38 7.48 2z5xA1 PHE 431 HZ 0.11 -0.01 -0.06 -0.04 7.32 7.32 2z5xA1 PHE 432 H 0.35 0.31 0.11 -0.55 8.34 8.56 2z5xA1 PHE 432 HA 0.08 0.10 1.02 -0.75 4.62 5.06 2z5xA1 PHE 432 HB2 0.07 0.05 0.12 -0.04 3.15 3.35 2z5xA1 PHE 432 HB3 0.06 0.07 0.08 -0.04 3.06 3.23 2z5xA1 PHE 432 HD2 -0.00 0.00 -0.16 -0.04 7.28 7.08 2z5xA1 PHE 432 HE2 -0.15 -0.13 -0.04 -0.04 7.38 7.02 2z5xA1 PHE 432 HZ -0.31 -0.05 -0.07 -0.04 7.32 6.85 2z5xA1 ALA 433 H 0.13 0.88 0.30 -0.55 8.40 9.16 2z5xA1 ALA 433 HA 0.11 0.25 0.77 -0.75 4.34 4.72 2z5xA1 ALA 433 HB3 0.05 -0.07 -0.11 -0.04 1.41 1.24 2z5xA1 GLY 434 H 0.08 0.01 -0.02 -0.55 8.43 7.95 2z5xA1 GLY 434 HA2 0.10 -0.13 0.32 -0.51 4.01 3.79 2z5xA1 GLY 434 HA3 0.12 0.29 0.58 -0.51 4.01 4.50 2z5xA1 THR 435 H 0.13 0.10 0.08 -0.55 8.28 8.03 2z5xA1 THR 435 HA 0.19 0.17 -0.10 -0.75 4.39 3.89 2z5xA1 THR 435 HB 0.14 -0.04 0.11 -0.04 4.32 4.49 2z5xA1 THR 435 HG23 0.18 0.06 -0.06 -0.04 1.22 1.36 2z5xA1 GLU 436 H 0.20 0.07 -0.27 -0.55 8.60 8.04 2z5xA1 GLU 436 HA 0.37 0.05 0.34 -0.75 4.29 4.30 2z5xA1 GLU 436 HB2 0.17 0.06 -0.03 -0.04 2.09 2.25 2z5xA1 GLU 436 HB3 0.22 0.11 0.05 -0.04 1.99 2.33 2z5xA1 GLU 436 HG2 0.13 0.07 0.07 -0.04 2.34 2.57 2z5xA1 GLU 436 HG3 0.27 -0.01 0.06 -0.04 2.34 2.62 2z5xA1 THR 437 H 0.23 0.43 -0.62 -0.55 8.28 7.77 2z5xA1 THR 437 HA 0.27 0.23 0.85 -0.75 4.39 4.98 2z5xA1 THR 437 HB 0.24 -0.03 0.03 -0.04 4.32 4.52 2z5xA1 THR 437 HG23 0.19 0.01 -0.24 -0.04 1.22 1.13 2z5xA1 ALA 438 H 0.30 0.36 -0.21 -0.55 8.40 8.31 2z5xA1 ALA 438 HA 0.31 0.08 0.51 -0.75 4.34 4.49 2z5xA1 ALA 438 HB3 0.25 0.02 0.05 -0.04 1.41 1.69 2z5xA1 THR 439 H 0.33 0.02 0.15 -0.55 8.28 8.23 2z5xA1 THR 439 HA 0.46 0.32 0.71 -0.75 4.39 5.13 2z5xA1 THR 439 HB 0.12 -0.03 -0.10 -0.04 4.32 4.28 2z5xA1 THR 439 HG23 0.20 0.04 -0.09 -0.04 1.22 1.33 2z5xA1 LYS 440 H 0.18 0.03 0.06 -0.55 8.42 8.14 2z5xA1 LYS 440 HA -0.21 0.32 0.82 -0.75 4.32 4.49 2z5xA1 LYS 440 HB2 -0.01 0.08 -0.04 -0.04 1.87 1.85 2z5xA1 LYS 440 HB3 0.11 -0.11 0.10 -0.04 1.79 1.85 2z5xA1 LYS 440 HG2 0.16 -0.02 -0.15 -0.04 1.46 1.41 2z5xA1 LYS 440 HG3 -0.15 0.11 0.07 -0.04 1.46 1.46 2z5xA1 LYS 440 HD2 0.06 0.01 0.02 -0.04 1.69 1.74 2z5xA1 LYS 440 HD3 0.16 -0.12 0.02 -0.04 1.68 1.70 2z5xA1 LYS 440 HE2 0.44 0.06 0.06 -0.04 2.99 3.51 2z5xA1 LYS 440 HE3 0.12 0.01 0.03 -0.04 2.99 3.11 2z5xA1 TRP 441 H -0.45 0.66 0.09 -0.55 7.97 7.72 2z5xA1 TRP 441 HA -0.39 0.18 0.22 -0.75 4.62 3.87 2z5xA1 TRP 441 HB2 -0.10 0.02 -0.10 -0.04 3.23 3.01 2z5xA1 TRP 441 HB3 -0.25 -0.19 0.19 -0.04 3.23 2.94 2z5xA1 TRP 441 HD1 -0.13 -0.03 -0.15 -0.04 7.22 6.88 2z5xA1 TRP 441 HE1 -0.15 0.03 -0.25 -0.04 10.20 9.79 2z5xA1 TRP 441 HE3 -1.94 -0.05 0.00 -0.04 7.59 5.56 2z5xA1 TRP 441 HZ2 -0.18 0.09 -0.10 -0.04 7.44 7.20 2z5xA1 TRP 441 HZ3 -0.63 0.03 0.02 -0.04 7.13 6.51 2z5xA1 TRP 441 HH2 -0.21 0.07 -0.11 -0.04 7.19 6.89 2z5xA1 SER 442 H -0.00 0.14 -0.51 -0.55 8.46 7.54 2z5xA1 SER 442 HA 0.30 -0.04 0.42 -0.75 4.49 4.41 2z5xA1 SER 442 HB2 0.39 0.24 -0.24 -0.04 3.95 4.30 2z5xA1 SER 442 HB3 0.19 -0.02 -0.12 -0.04 3.93 3.94 2z5xA1 GLY 443 H 0.33 0.03 -0.03 -0.55 8.43 8.22 2z5xA1 GLY 443 HA2 0.33 -0.04 0.25 -0.51 4.01 4.04 2z5xA1 GLY 443 HA3 0.48 0.26 0.68 -0.51 4.01 4.92 2z5xA1 TYR 444 H 0.36 0.12 0.18 -0.55 8.29 8.40 2z5xA1 TYR 444 HA 0.08 0.26 0.78 -0.75 4.56 4.92 2z5xA1 TYR 444 HB2 0.20 0.39 0.16 -0.04 3.06 3.76 2z5xA1 TYR 444 HB3 0.00 -0.22 0.16 -0.04 2.98 2.88 2z5xA1 TYR 444 HD2 0.06 0.01 -0.35 -0.04 7.15 6.83 2z5xA1 TYR 444 HE2 0.05 0.07 -0.07 -0.04 6.85 6.86 2z5xA1 MET 445 H 0.13 0.29 0.21 -0.55 8.47 8.55 2z5xA1 MET 445 HA 0.08 0.02 0.53 -0.75 4.52 4.39 2z5xA1 MET 445 HB2 0.07 0.07 0.04 -0.04 2.15 2.29 2z5xA1 MET 445 HB3 0.08 0.00 -0.04 -0.04 2.03 2.03 2z5xA1 MET 445 HG2 0.04 -0.05 0.02 -0.04 2.63 2.60 2z5xA1 MET 445 HG3 0.03 0.02 0.07 -0.04 2.56 2.64 2z5xA1 MET 445 HE3 0.04 0.01 -0.28 -0.04 2.10 1.82 2z5xA1 GLU 446 H 0.05 0.18 -0.02 -0.55 8.60 8.27 2z5xA1 GLU 446 HA 0.02 -0.04 0.59 -0.75 4.29 4.11 2z5xA1 GLU 446 HB2 -0.26 0.03 0.16 -0.04 2.09 1.97 2z5xA1 GLU 446 HB3 -0.02 0.09 0.12 -0.04 1.99 2.14 2z5xA1 GLU 446 HG2 -0.11 0.15 -0.04 -0.04 2.34 2.30 2z5xA1 GLU 446 HG3 0.15 0.16 -0.39 -0.04 2.34 2.21 2z5xA1 GLY 447 H 0.24 0.30 -0.19 -0.55 8.43 8.24 2z5xA1 GLY 447 HA2 0.20 0.12 0.37 -0.51 4.01 4.19 2z5xA1 GLY 447 HA3 0.24 0.10 0.08 -0.51 4.01 3.92 2z5xA1 ALA 448 H 0.14 0.44 -0.17 -0.55 8.40 8.27 2z5xA1 ALA 448 HA 0.11 -0.04 0.37 -0.75 4.34 4.03 2z5xA1 ALA 448 HB3 0.07 0.01 0.10 -0.04 1.41 1.56 2z5xA1 VAL 449 H 0.07 0.44 -0.17 -0.55 8.24 8.03 2z5xA1 VAL 449 HA 0.03 0.05 0.30 -0.75 4.13 3.75 2z5xA1 VAL 449 HB 0.05 0.11 0.13 -0.04 2.12 2.37 2z5xA1 VAL 449 HG13 0.02 0.02 -0.16 -0.04 0.97 0.81 2z5xA1 VAL 449 HG23 0.03 0.04 -0.05 -0.04 0.95 0.93 2z5xA1 GLU 450 H 0.09 0.48 -0.05 -0.55 8.60 8.58 2z5xA1 GLU 450 HA 0.06 0.03 0.26 -0.75 4.29 3.89 2z5xA1 GLU 450 HB2 0.14 -0.03 0.14 -0.04 2.09 2.30 2z5xA1 GLU 450 HB3 0.16 0.03 0.16 -0.04 1.99 2.31 2z5xA1 GLU 450 HG2 0.15 0.05 -0.13 -0.04 2.34 2.37 2z5xA1 GLU 450 HG3 0.21 0.02 0.06 -0.04 2.34 2.58 2z5xA1 ALA 451 H 0.10 0.46 -0.47 -0.55 8.40 7.94 2z5xA1 ALA 451 HA 0.01 0.12 0.34 -0.75 4.34 4.06 2z5xA1 ALA 451 HB3 0.13 -0.04 -0.10 -0.04 1.41 1.35 2z5xA1 GLY 452 H 0.03 0.56 -0.03 -0.55 8.43 8.43 2z5xA1 GLY 452 HA2 -0.01 -0.04 0.50 -0.51 4.01 3.95 2z5xA1 GLY 452 HA3 -0.00 0.15 0.39 -0.51 4.01 4.03 2z5xA1 GLU 453 H -0.03 0.60 -0.08 -0.55 8.60 8.55 2z5xA1 GLU 453 HA -0.07 0.05 0.32 -0.75 4.29 3.83 2z5xA1 GLU 453 HB2 -0.03 0.09 0.07 -0.04 2.09 2.19 2z5xA1 GLU 453 HB3 -0.04 0.02 0.03 -0.04 1.99 1.96 2z5xA1 GLU 453 HG2 -0.02 0.08 -0.05 -0.04 2.34 2.32 2z5xA1 GLU 453 HG3 -0.01 -0.06 -0.01 -0.04 2.34 2.22 2z5xA1 ARG 454 H -0.14 0.46 -0.20 -0.55 8.46 8.03 2z5xA1 ARG 454 HA -0.36 0.22 0.55 -0.75 4.34 3.99 2z5xA1 ARG 454 HB2 -0.53 -0.04 0.14 -0.04 1.90 1.43 2z5xA1 ARG 454 HB3 -0.36 0.06 0.16 -0.04 1.80 1.61 2z5xA1 ARG 454 HG2 -0.86 -0.06 -0.12 -0.04 1.67 0.59 2z5xA1 ARG 454 HG3 -2.38 -0.05 -0.06 -0.04 1.67 -0.86 2z5xA1 ARG 454 HD2 -1.74 -0.04 -0.04 -0.04 3.22 1.35 2z5xA1 ARG 454 HD3 -0.49 -0.03 -0.03 -0.04 3.22 2.63 2z5xA1 ALA 455 H -0.13 0.45 -0.21 -0.55 8.40 7.96 2z5xA1 ALA 455 HA -0.15 0.07 0.54 -0.75 4.34 4.05 2z5xA1 ALA 455 HB3 -0.01 0.02 -0.05 -0.04 1.41 1.34 2z5xA1 ALA 456 H -0.14 0.66 -0.09 -0.55 8.40 8.28 2z5xA1 ALA 456 HA -0.19 -0.03 0.32 -0.75 4.34 3.69 2z5xA1 ALA 456 HB3 -0.13 0.02 0.08 -0.04 1.41 1.34 2z5xA1 ARG 457 H -0.23 0.57 -0.25 -0.55 8.46 7.99 2z5xA1 ARG 457 HA -0.31 -0.03 0.45 -0.75 4.34 3.70 2z5xA1 ARG 457 HB2 -0.27 0.18 0.25 -0.04 1.90 2.01 2z5xA1 ARG 457 HB3 -0.21 -0.11 0.01 -0.04 1.80 1.45 2z5xA1 ARG 457 HG2 -0.21 -0.11 -0.03 -0.04 1.67 1.28 2z5xA1 ARG 457 HG3 -0.16 0.20 0.10 -0.04 1.67 1.77 2z5xA1 ARG 457 HD2 -0.12 0.15 0.04 -0.04 3.22 3.26 2z5xA1 ARG 457 HD3 -0.09 0.17 -0.01 -0.04 3.22 3.25 2z5xA1 GLU 458 H -0.35 0.52 -0.23 -0.55 8.60 7.99 2z5xA1 GLU 458 HA -0.30 -0.01 0.52 -0.75 4.29 3.74 2z5xA1 GLU 458 HB2 -0.41 0.14 0.28 -0.04 2.09 2.06 2z5xA1 GLU 458 HB3 -0.96 -0.04 0.01 -0.04 1.99 0.97 2z5xA1 GLU 458 HG2 -0.01 -0.07 0.07 -0.04 2.34 2.29 2z5xA1 GLU 458 HG3 -0.22 0.03 0.05 -0.04 2.34 2.16 2z5xA1 VAL 459 H -0.63 0.62 -0.10 -0.55 8.24 7.58 2z5xA1 VAL 459 HA -0.98 0.04 0.50 -0.75 4.13 2.94 2z5xA1 VAL 459 HB -0.39 0.14 0.07 -0.04 2.12 1.90 2z5xA1 VAL 459 HG13 -0.56 -0.02 -0.22 -0.04 0.97 0.13 2z5xA1 VAL 459 HG23 -0.33 0.01 -0.11 -0.04 0.95 0.47 2z5xA1 LEU 460 H -0.39 0.52 -0.18 -0.55 8.37 7.77 2z5xA1 LEU 460 HA -0.28 0.02 0.38 -0.75 4.35 3.71 2z5xA1 LEU 460 HB2 -0.39 0.07 0.03 -0.04 1.64 1.31 2z5xA1 LEU 460 HB3 -0.42 -0.07 -0.15 -0.04 1.64 0.95 2z5xA1 LEU 460 HG -0.36 0.16 -0.06 -0.04 1.64 1.33 2z5xA1 LEU 460 HD13 -0.89 -0.01 -0.22 -0.04 0.93 -0.23 2z5xA1 LEU 460 HD23 -0.30 -0.01 -0.06 -0.04 0.89 0.48 2z5xA1 ASN 461 H -0.28 0.55 -0.30 -0.55 8.53 7.95 2z5xA1 ASN 461 HA -0.10 0.26 0.63 -0.75 4.76 4.80 2z5xA1 ASN 461 HB2 -0.11 0.05 -0.02 -0.04 2.88 2.75 2z5xA1 ASN 461 HB3 -0.15 0.13 0.19 -0.04 2.79 2.92 2z5xA1 ASN 461 HD21 0.03 -0.10 -0.07 -0.04 7.03 6.85 2z5xA1 ASN 461 HD22 -0.00 0.08 -0.03 -0.04 7.74 7.74 2z5xA1 GLY 462 H -0.22 0.54 -0.02 -0.55 8.43 8.19 2z5xA1 GLY 462 HA2 0.06 -0.03 0.41 -0.51 4.01 3.94 2z5xA1 GLY 462 HA3 -0.05 0.08 0.31 -0.51 4.01 3.83 2z5xA1 LEU 463 H -0.22 0.49 -0.19 -0.55 8.37 7.90 2z5xA1 LEU 463 HA 0.07 0.03 0.47 -0.75 4.35 4.17 2z5xA1 LEU 463 HB2 -0.11 -0.01 0.07 -0.04 1.64 1.56 2z5xA1 LEU 463 HB3 0.00 -0.04 0.13 -0.04 1.64 1.69 2z5xA1 LEU 463 HG -0.27 0.17 0.02 -0.04 1.64 1.53 2z5xA1 LEU 463 HD13 -0.05 -0.03 -0.07 -0.04 0.93 0.74 2z5xA1 LEU 463 HD23 0.26 -0.01 0.00 -0.04 0.89 1.09 2z5xA1 GLY 464 H -0.04 0.47 -0.81 -0.55 8.43 7.50 2z5xA1 GLY 464 HA2 -0.00 0.02 0.31 -0.51 4.01 3.83 2z5xA1 GLY 464 HA3 0.01 -0.01 0.40 -0.51 4.01 3.91 2z5xA1 LYS 465 H -0.07 0.56 -0.14 -0.55 8.42 8.22 2z5xA1 LYS 465 HA 0.02 0.13 0.71 -0.75 4.32 4.42 2z5xA1 LYS 465 HB2 -0.10 0.00 0.02 -0.04 1.87 1.76 2z5xA1 LYS 465 HB3 0.08 -0.06 0.05 -0.04 1.79 1.82 2z5xA1 LYS 465 HG2 0.07 -0.04 -0.01 -0.04 1.46 1.44 2z5xA1 LYS 465 HG3 0.02 0.09 -0.17 -0.04 1.46 1.36 2z5xA1 LYS 465 HD2 -0.01 -0.06 -0.03 -0.04 1.69 1.56 2z5xA1 LYS 465 HD3 0.15 0.09 0.02 -0.04 1.68 1.90 2z5xA1 LYS 465 HE2 0.03 0.05 -0.02 -0.04 2.99 3.00 2z5xA1 LYS 465 HE3 0.03 -0.07 -0.05 -0.04 2.99 2.86 2z5xA1 VAL 466 H -0.08 0.38 -0.19 -0.55 8.24 7.81 2z5xA1 VAL 466 HA -0.01 0.06 0.59 -0.75 4.13 4.02 2z5xA1 VAL 466 HB -0.21 -0.07 -0.34 -0.04 2.12 1.45 2z5xA1 VAL 466 HG13 -0.10 -0.02 -0.31 -0.04 0.97 0.51 2z5xA1 VAL 466 HG23 -0.18 0.02 -0.18 -0.04 0.95 0.57 2z5xA1 THR 467 H 0.00 0.09 0.03 -0.55 8.28 7.86 2z5xA1 THR 467 HA 0.00 0.24 0.46 -0.75 4.39 4.34 2z5xA1 THR 467 HB 0.02 -0.21 0.07 -0.04 4.32 4.17 2z5xA1 THR 467 HG23 0.02 0.04 -0.01 -0.04 1.22 1.23 2z5xA1 GLU 468 H 0.03 0.17 0.16 -0.55 8.60 8.41 2z5xA1 GLU 468 HA 0.04 0.15 0.45 -0.75 4.29 4.18 2z5xA1 GLU 468 HB2 0.04 0.03 0.18 -0.04 2.09 2.30 2z5xA1 GLU 468 HB3 0.06 -0.02 0.10 -0.04 1.99 2.08 2z5xA1 GLU 468 HG2 0.10 0.02 0.07 -0.04 2.34 2.49 2z5xA1 GLU 468 HG3 0.07 0.05 0.05 -0.04 2.34 2.47 2z5xA1 LYS 469 H 0.05 0.06 -0.12 -0.55 8.42 7.85 2z5xA1 LYS 469 HA 0.08 0.06 0.20 -0.75 4.32 3.91 2z5xA1 LYS 469 HB2 0.05 0.05 0.06 -0.04 1.87 1.98 2z5xA1 LYS 469 HB3 0.04 -0.02 0.08 -0.04 1.79 1.85 2z5xA1 LYS 469 HG2 0.04 -0.11 -0.08 -0.04 1.46 1.26 2z5xA1 LYS 469 HG3 0.04 0.06 -0.13 -0.04 1.46 1.38 2z5xA1 LYS 469 HD2 0.03 0.02 -0.01 -0.04 1.69 1.68 2z5xA1 LYS 469 HD3 0.03 0.03 -0.01 -0.04 1.68 1.68 2z5xA1 LYS 469 HE2 0.03 0.04 0.02 -0.04 2.99 3.03 2z5xA1 LYS 469 HE3 0.03 0.03 0.02 -0.04 2.99 3.03 2z5xA1 ASP 470 H 0.04 0.22 -0.96 -0.55 8.40 7.14 2z5xA1 ASP 470 HA 0.05 0.12 0.27 -0.75 4.63 4.32 2z5xA1 ASP 470 HB2 0.01 -0.04 -0.02 -0.04 2.71 2.62 2z5xA1 ASP 470 HB3 -0.00 0.06 -0.09 -0.04 2.70 2.63 2z5xA1 ILE 471 H 0.04 0.44 -0.13 -0.55 8.25 8.04 2z5xA1 ILE 471 HA -0.16 0.01 0.36 -0.75 4.18 3.63 2z5xA1 ILE 471 HB 0.07 0.04 0.10 -0.04 1.89 2.06 2z5xA1 ILE 471 HG12 -0.14 0.06 -0.25 -0.04 1.49 1.12 2z5xA1 ILE 471 HG13 -0.03 0.15 0.03 -0.04 1.21 1.31 2z5xA1 ILE 471 HG23 -0.47 -0.01 -0.12 -0.04 0.93 0.28 2z5xA1 ILE 471 HD13 0.01 -0.03 0.02 -0.04 0.88 0.84 2z5xA1 TRP 472 H 0.29 0.21 -0.23 -0.55 7.97 7.69 2z5xA1 TRP 472 HA 0.03 0.14 0.84 -0.75 4.62 4.87 2z5xA1 TRP 472 HB2 0.03 0.01 0.10 -0.04 3.23 3.33 2z5xA1 TRP 472 HB3 0.03 -0.04 -0.06 -0.04 3.23 3.12 2z5xA1 TRP 472 HD1 0.03 0.01 -0.05 -0.04 7.22 7.18 2z5xA1 TRP 472 HE1 0.07 0.01 -0.05 -0.04 10.20 10.19 2z5xA1 TRP 472 HE3 0.06 -0.03 -0.04 -0.04 7.59 7.54 2z5xA1 TRP 472 HZ2 0.11 0.04 -0.04 -0.04 7.44 7.51 2z5xA1 TRP 472 HZ3 0.09 -0.13 -0.02 -0.04 7.13 7.04 2z5xA1 TRP 472 HH2 0.12 0.11 -0.01 -0.04 7.19 7.37 2z5xA1 VAL 473 H 0.13 0.21 0.06 -0.55 8.24 8.09 2z5xA1 VAL 473 HA 0.10 0.13 0.64 -0.75 4.13 4.25 2z5xA1 VAL 473 HB 0.05 -0.05 0.01 -0.04 2.12 2.08 2z5xA1 VAL 473 HG13 0.05 0.00 -0.16 -0.04 0.97 0.82 2z5xA1 VAL 473 HG23 0.03 0.03 -0.19 -0.04 0.95 0.79 2z5xA1 GLN 474 H 0.08 0.13 0.09 -0.55 8.47 8.23 2z5xA1 GLN 474 HA 0.10 0.15 1.01 -0.75 4.36 4.86 2z5xA1 GLN 474 HB2 0.05 0.04 -0.04 -0.04 2.15 2.16 2z5xA1 GLN 474 HB3 0.07 0.00 0.04 -0.04 2.02 2.09 2z5xA1 GLN 474 HG2 0.05 0.02 0.03 -0.04 2.40 2.47 2z5xA1 GLN 474 HG3 0.05 -0.01 0.04 -0.04 2.39 2.42 2z5xA1 GLN 474 HE21 0.02 -0.02 -0.06 -0.04 6.97 6.87 2z5xA1 GLN 474 HE22 0.03 -0.00 -0.07 -0.04 7.69 7.61 2z5xA1 GLU 475 H 0.07 0.07 0.10 -0.55 8.60 8.29 2z5xA1 GLU 475 HA 0.04 0.19 0.54 -0.75 4.29 4.31 2z5xA1 GLU 475 HB2 0.06 -0.01 0.08 -0.04 2.09 2.17 2z5xA1 GLU 475 HB3 0.05 -0.08 0.03 -0.04 1.99 1.95 2z5xA1 GLU 475 HG2 0.03 -0.25 -0.42 -0.04 2.34 1.67 2z5xA1 GLU 475 HG3 0.03 0.23 -0.25 -0.04 2.34 2.31 2z5xA1 PRO 476 HA 0.02 0.01 0.53 -0.51 4.44 4.50 2z5xA1 PRO 476 HB2 0.01 0.02 -0.13 -0.04 2.28 2.14 2z5xA1 PRO 476 HB3 0.01 0.02 0.05 -0.04 2.02 2.06 2z5xA1 PRO 476 HG2 0.02 0.02 0.04 -0.04 2.03 2.06 2z5xA1 PRO 476 HG3 0.02 0.06 0.05 -0.04 2.03 2.12 2z5xA1 PRO 476 HD2 0.03 0.03 0.18 -0.04 3.68 3.87 2z5xA1 PRO 476 HD3 0.03 0.32 0.18 -0.04 3.65 4.14 2z5xA1 GLU 477 H 0.02 0.10 0.11 -0.55 8.60 8.28 2z5xA1 GLU 477 HA 0.02 -0.02 0.35 -0.75 4.29 3.88 2z5xA1 GLU 477 HB2 0.01 0.02 0.11 -0.04 2.09 2.20 2z5xA1 GLU 477 HB3 0.01 0.00 0.06 -0.04 1.99 2.03 2z5xA1 GLU 477 HG2 0.01 0.34 -0.31 -0.04 2.34 2.34 2z5xA1 GLU 477 HG3 0.01 -0.13 0.09 -0.04 2.34 2.27 2z5xA1 SER 478 H 0.00 0.02 0.10 -0.55 8.46 8.04 2z5xA1 SER 478 HA 0.01 0.10 0.36 -0.75 4.49 4.20 2z5xA1 SER 478 HB2 -0.00 0.04 0.02 -0.04 3.95 3.97 2z5xA1 SER 478 HB3 -0.01 0.14 -0.01 -0.04 3.93 4.01 2z5xA1 LYS 479 H 0.01 0.14 0.12 -0.55 8.42 8.13 2z5xA1 LYS 479 HA 0.00 0.19 0.65 -0.75 4.32 4.40 2z5xA1 LYS 479 HB2 0.01 -0.02 0.08 -0.04 1.87 1.90 2z5xA1 LYS 479 HB3 0.00 0.03 0.00 -0.04 1.79 1.78 2z5xA1 LYS 479 HG2 0.00 0.00 -0.01 -0.04 1.46 1.42 2z5xA1 LYS 479 HG3 0.01 0.10 -0.12 -0.04 1.46 1.40 2z5xA1 LYS 479 HD2 0.01 -0.00 -0.01 -0.04 1.69 1.64 2z5xA1 LYS 479 HD3 0.00 -0.01 -0.01 -0.04 1.68 1.62 2z5xA1 LYS 479 HE2 0.01 0.03 -0.04 -0.04 2.99 2.95 2z5xA1 LYS 479 HE3 0.00 -0.00 -0.02 -0.04 2.99 2.93 2z5xA1 ASP 480 H 0.00 -0.00 -0.08 -0.55 8.40 7.77 2z5xA1 ASP 480 HA 0.00 0.16 0.54 -0.75 4.63 4.58 2z5xA1 ASP 480 HB2 0.01 -0.07 0.02 -0.04 2.71 2.63 2z5xA1 ASP 480 HB3 0.01 0.05 -0.03 -0.04 2.70 2.68 2z5xA1 VAL 481 H -0.01 -0.03 -0.44 -0.55 8.24 7.22 2z5xA1 VAL 481 HA -0.02 0.25 0.69 -0.75 4.13 4.29 2z5xA1 VAL 481 HB -0.04 -0.11 0.03 -0.04 2.12 1.96 2z5xA1 VAL 481 HG13 -0.06 0.00 -0.16 -0.04 0.97 0.71 2z5xA1 VAL 481 HG23 -0.03 -0.00 -0.25 -0.04 0.95 0.63 2z5xA1 PRO 482 HA -0.00 0.10 0.53 -0.51 4.44 4.56 2z5xA1 PRO 482 HB2 0.00 0.00 -0.09 -0.04 2.28 2.15 2z5xA1 PRO 482 HB3 0.00 0.12 0.00 -0.04 2.02 2.10 2z5xA1 PRO 482 HG2 -0.00 -0.04 -0.08 -0.04 2.03 1.86 2z5xA1 PRO 482 HG3 -0.00 0.07 -0.05 -0.04 2.03 2.01 2z5xA1 PRO 482 HD2 -0.01 0.09 0.01 -0.04 3.68 3.73 2z5xA1 PRO 482 HD3 -0.00 0.28 -0.47 -0.04 3.65 3.42 2z5xA1 ALA 483 H 0.00 0.13 0.11 -0.55 8.40 8.10 2z5xA1 ALA 483 HA 0.00 0.11 0.57 -0.75 4.34 4.28 2z5xA1 ALA 483 HB3 0.02 -0.01 0.04 -0.04 1.41 1.42 2z5xA1 VAL 484 H -0.00 0.22 0.12 -0.55 8.24 8.03 2z5xA1 VAL 484 HA -0.00 0.05 0.71 -0.75 4.13 4.13 2z5xA1 VAL 484 HB -0.00 -0.01 0.12 -0.04 2.12 2.18 2z5xA1 VAL 484 HG13 -0.01 0.01 -0.12 -0.04 0.97 0.82 2z5xA1 VAL 484 HG23 -0.00 0.01 -0.03 -0.04 0.95 0.88 2z5xA1 GLU 485 H -0.01 0.09 0.10 -0.55 8.60 8.24 2z5xA1 GLU 485 HA -0.01 0.06 0.50 -0.75 4.29 4.09 2z5xA1 GLU 485 HB2 -0.01 -0.01 0.11 -0.04 2.09 2.15 2z5xA1 GLU 485 HB3 -0.01 -0.03 -0.02 -0.04 1.99 1.88 2z5xA1 GLU 485 HG2 -0.01 0.18 -0.08 -0.04 2.34 2.38 2z5xA1 GLU 485 HG3 -0.01 -0.01 0.06 -0.04 2.34 2.34 2z5xA1 ILE 486 H -0.02 0.14 0.18 -0.55 8.25 7.99 2z5xA1 ILE 486 HA -0.07 0.07 0.58 -0.75 4.18 4.00 2z5xA1 ILE 486 HB -0.04 0.00 0.13 -0.04 1.89 1.95 2z5xA1 ILE 486 HG12 -0.01 0.04 0.13 -0.04 1.49 1.60 2z5xA1 ILE 486 HG13 -0.00 -0.01 0.06 -0.04 1.21 1.22 2z5xA1 ILE 486 HG23 -0.18 -0.04 -0.13 -0.04 0.93 0.53 2z5xA1 ILE 486 HD13 -0.00 0.03 -0.06 -0.04 0.88 0.81 2z5xA1 THR 487 H -0.14 0.21 0.20 -0.55 8.28 8.00 2z5xA1 THR 487 HA -0.09 0.19 0.84 -0.75 4.39 4.58 2z5xA1 THR 487 HB -0.02 0.01 -0.05 -0.04 4.32 4.22 2z5xA1 THR 487 HG23 -0.02 0.04 -0.22 -0.04 1.22 0.98 2z5xA1 HIS 488 H 0.05 0.24 0.11 -0.55 8.41 8.26 2z5xA1 HIS 488 HA 0.03 0.12 0.90 -0.75 4.63 4.93 2z5xA1 HIS 488 HB2 -0.00 0.05 0.05 -0.04 3.26 3.32 2z5xA1 HIS 488 HB3 0.01 -0.04 0.02 -0.04 3.20 3.14 2z5xA1 HIS 488 HD2 -0.02 -0.02 -0.02 -0.04 6.97 6.87 2z5xA1 HIS 488 HE1 -0.02 0.04 -0.11 -0.04 7.75 7.61 2z5xA1 THR 489 H 0.13 0.14 0.10 -0.55 8.28 8.10 2z5xA1 THR 489 HA 0.10 0.15 0.43 -0.75 4.39 4.32 2z5xA1 THR 489 HB 0.20 -0.00 0.17 -0.04 4.32 4.65 2z5xA1 THR 489 HG23 0.13 0.05 0.09 -0.04 1.22 1.45 2z5xA1 PHE 490 H 0.16 0.19 0.18 -0.55 8.34 8.32 2z5xA1 PHE 490 HA -0.09 0.17 0.39 -0.75 4.62 4.34 2z5xA1 PHE 490 HB2 -0.21 0.07 0.13 -0.04 3.15 3.10 2z5xA1 PHE 490 HB3 -0.41 -0.07 0.15 -0.04 3.06 2.69 2z5xA1 PHE 490 HD2 -1.05 -0.02 -0.08 -0.04 7.28 6.08 2z5xA1 PHE 490 HE2 -0.86 0.02 -0.06 -0.04 7.38 6.44 2z5xA1 PHE 490 HZ -0.29 0.03 -0.05 -0.04 7.32 6.97 2z5xA1 TRP 491 H 0.25 0.03 -0.17 -0.55 7.97 7.54 2z5xA1 TRP 491 HA -0.14 0.14 0.40 -0.75 4.62 4.27 2z5xA1 TRP 491 HB2 0.09 -0.08 0.03 -0.04 3.23 3.23 2z5xA1 TRP 491 HB3 0.06 0.08 -0.08 -0.04 3.23 3.24 2z5xA1 TRP 491 HD1 0.10 -0.02 0.02 -0.04 7.22 7.28 2z5xA1 TRP 491 HE1 0.06 0.03 -0.00 -0.04 10.20 10.25 2z5xA1 TRP 491 HE3 0.06 -0.01 -0.02 -0.04 7.59 7.58 2z5xA1 TRP 491 HZ2 0.05 0.02 -0.01 -0.04 7.44 7.45 2z5xA1 TRP 491 HZ3 0.15 0.04 -0.04 -0.04 7.13 7.23 2z5xA1 TRP 491 HH2 0.10 0.02 -0.02 -0.04 7.19 7.25 2z5xA1 GLU 492 H 0.22 -0.02 -0.31 -0.55 8.60 7.95 2z5xA1 GLU 492 HA 0.12 0.07 0.47 -0.75 4.29 4.20 2z5xA1 GLU 492 HB2 0.16 -0.05 0.06 -0.04 2.09 2.23 2z5xA1 GLU 492 HB3 0.08 0.06 -0.04 -0.04 1.99 2.05 2z5xA1 GLU 492 HG2 0.11 0.05 0.05 -0.04 2.34 2.50 2z5xA1 GLU 492 HG3 0.21 -0.04 0.02 -0.04 2.34 2.48 2z5xA1 ARG 493 H -0.04 0.36 -0.38 -0.55 8.46 7.85 2z5xA1 ARG 493 HA -0.09 0.03 0.26 -0.75 4.34 3.79 2z5xA1 ARG 493 HB2 -0.12 0.06 0.11 -0.04 1.90 1.91 2z5xA1 ARG 493 HB3 -0.14 -0.00 -0.05 -0.04 1.80 1.56 2z5xA1 ARG 493 HG2 -0.05 -0.01 0.01 -0.04 1.67 1.58 2z5xA1 ARG 493 HG3 -0.02 -0.08 -0.05 -0.04 1.67 1.48 2z5xA1 ARG 493 HD2 0.02 -0.05 0.01 -0.04 3.22 3.16 2z5xA1 ARG 493 HD3 0.05 0.22 -0.02 -0.04 3.22 3.43 2z5xA1 ASN 494 H -0.23 0.12 -0.22 -0.55 8.53 7.66 2z5xA1 ASN 494 HA -0.15 0.19 0.74 -0.75 4.76 4.78 2z5xA1 ASN 494 HB2 -0.84 0.04 0.04 -0.04 2.88 2.08 2z5xA1 ASN 494 HB3 -0.27 -0.06 0.05 -0.04 2.79 2.46 2z5xA1 ASN 494 HD21 -0.32 -0.05 -0.02 -0.04 7.03 6.60 2z5xA1 ASN 494 HD22 -1.55 0.07 0.04 -0.04 7.74 6.26 2z5xA1 LEU 495 H 0.05 0.49 -0.03 -0.55 8.37 8.34 2z5xA1 LEU 495 HA 0.13 -0.00 0.55 -0.75 4.35 4.27 2z5xA1 LEU 495 HB2 0.12 0.06 0.09 -0.04 1.64 1.87 2z5xA1 LEU 495 HB3 0.09 0.04 0.01 -0.04 1.64 1.73 2z5xA1 LEU 495 HG 0.38 -0.05 0.10 -0.04 1.64 2.03 2z5xA1 LEU 495 HD13 0.12 -0.03 -0.07 -0.04 0.93 0.90 2z5xA1 LEU 495 HD23 0.01 -0.01 0.05 -0.04 0.89 0.90 2z5xA1 PRO 496 HA -0.03 0.12 0.55 -0.51 4.44 4.56 2z5xA1 PRO 496 HB2 -0.03 -0.13 -0.09 -0.04 2.28 1.99 2z5xA1 PRO 496 HB3 -0.01 0.08 -0.01 -0.04 2.02 2.04 2z5xA1 PRO 496 HG2 -0.01 -0.01 0.00 -0.04 2.03 1.98 2z5xA1 PRO 496 HG3 0.01 0.01 0.03 -0.04 2.03 2.04 2z5xA1 PRO 496 HD2 0.04 0.02 0.21 -0.04 3.68 3.90 2z5xA1 PRO 496 HD3 0.06 0.14 0.23 -0.04 3.65 4.04 2z5xA1 SER 497 H -0.05 0.12 0.16 -0.55 8.46 8.14 2z5xA1 SER 497 HA -0.07 0.25 0.54 -0.75 4.49 4.45 2z5xA1 SER 497 HB2 -0.06 -0.04 0.16 -0.04 3.95 3.96 2z5xA1 SER 497 HB3 -0.08 0.18 0.17 -0.04 3.93 4.16 2z5xA1 VAL 498 H -0.04 0.19 0.09 -0.55 8.24 7.93 2z5xA1 VAL 498 HA -0.07 0.11 0.49 -0.75 4.13 3.91 2z5xA1 VAL 498 HB -0.03 0.02 0.18 -0.04 2.12 2.25 2z5xA1 VAL 498 HG13 -0.27 0.02 -0.08 -0.04 0.97 0.60 2z5xA1 VAL 498 HG23 0.07 -0.01 0.09 -0.04 0.95 1.06 2z5xA1 SER 499 H -0.06 0.15 -0.09 -0.55 8.46 7.91 2z5xA1 SER 499 HA -0.09 0.07 0.29 -0.75 4.49 4.01 2z5xA1 SER 499 HB2 -0.05 0.08 0.09 -0.04 3.95 4.03 2z5xA1 SER 499 HB3 -0.05 -0.03 0.11 -0.04 3.93 3.93 2z5xA1 GLY 500 H -0.05 -0.01 -0.44 -0.55 8.43 7.38 2z5xA1 GLY 500 HA2 -0.04 0.06 0.36 -0.51 4.01 3.88 2z5xA1 GLY 500 HA3 -0.04 0.02 0.27 -0.51 4.01 3.75 2z5xA1 LEU 501 H -0.05 0.61 -0.14 -0.55 8.37 8.24 2z5xA1 LEU 501 HA -0.02 0.02 0.53 -0.75 4.35 4.12 2z5xA1 LEU 501 HB2 -0.04 0.10 0.13 -0.04 1.64 1.79 2z5xA1 LEU 501 HB3 -0.07 0.12 0.24 -0.04 1.64 1.89 2z5xA1 LEU 501 HG -0.05 -0.04 -0.11 -0.04 1.64 1.41 2z5xA1 LEU 501 HD13 -0.01 0.00 0.04 -0.04 0.93 0.92 2z5xA1 LEU 501 HD23 -0.06 -0.01 0.01 -0.04 0.89 0.80 2z5xA1 LEU 502 H -0.08 0.48 -0.05 -0.55 8.37 8.17 2z5xA1 LEU 502 HA -0.06 -0.03 0.35 -0.75 4.35 3.86 2z5xA1 LEU 502 HB2 -0.08 0.20 0.15 -0.04 1.64 1.86 2z5xA1 LEU 502 HB3 -0.08 -0.02 0.02 -0.04 1.64 1.53 2z5xA1 LEU 502 HG -0.15 0.07 0.07 -0.04 1.64 1.59 2z5xA1 LEU 502 HD13 -0.23 -0.02 -0.04 -0.04 0.93 0.60 2z5xA1 LEU 502 HD23 -0.14 -0.01 0.00 -0.04 0.89 0.70 2z5xA1 LYS 503 H -0.04 0.48 -0.17 -0.55 8.42 8.14 2z5xA1 LYS 503 HA 0.00 0.01 0.38 -0.75 4.32 3.96 2z5xA1 LYS 503 HB2 -0.03 0.11 0.19 -0.04 1.87 2.10 2z5xA1 LYS 503 HB3 -0.02 -0.02 0.04 -0.04 1.79 1.75 2z5xA1 LYS 503 HG2 -0.01 -0.03 0.05 -0.04 1.46 1.43 2z5xA1 LYS 503 HG3 -0.03 0.06 0.03 -0.04 1.46 1.49 2z5xA1 LYS 503 HD2 -0.03 -0.01 -0.00 -0.04 1.69 1.61 2z5xA1 LYS 503 HD3 -0.02 -0.00 0.01 -0.04 1.68 1.62 2z5xA1 LYS 503 HE2 -0.02 0.00 -0.02 -0.04 2.99 2.92 2z5xA1 LYS 503 HE3 -0.03 -0.00 -0.06 -0.04 2.99 2.86 2z5xA1 ILE 504 H -0.01 0.49 -0.24 -0.55 8.25 7.95 2z5xA1 ILE 504 HA 0.01 0.02 0.32 -0.75 4.18 3.78 2z5xA1 ILE 504 HB -0.00 0.15 0.31 -0.04 1.89 2.31 2z5xA1 ILE 504 HG12 -0.07 -0.04 0.04 -0.04 1.49 1.38 2z5xA1 ILE 504 HG13 -0.05 0.00 0.07 -0.04 1.21 1.19 2z5xA1 ILE 504 HG23 0.03 -0.02 -0.12 -0.04 0.93 0.77 2z5xA1 ILE 504 HD13 -0.02 -0.01 -0.04 -0.04 0.88 0.77 2z5xA1 ILE 505 H 0.01 0.82 0.18 -0.55 8.25 8.71 2z5xA1 ILE 505 HA 0.04 -0.00 0.49 -0.75 4.18 3.95 2z5xA1 ILE 505 HB -0.01 0.16 0.04 -0.04 1.89 2.04 2z5xA1 ILE 505 HG12 0.00 -0.02 0.04 -0.04 1.49 1.47 2z5xA1 ILE 505 HG13 -0.00 0.01 0.03 -0.04 1.21 1.20 2z5xA1 ILE 505 HG23 -0.01 0.00 -0.23 -0.04 0.93 0.65 2z5xA1 ILE 505 HD13 -0.03 -0.01 -0.06 -0.04 0.88 0.73 2z5xA1 GLY 506 H 0.03 0.63 -0.29 -0.55 8.43 8.25 2z5xA1 GLY 506 HA2 0.01 -0.00 0.55 -0.51 4.01 4.06 2z5xA1 GLY 506 HA3 0.03 0.12 0.30 -0.51 4.01 3.94 2z5xA1 PHE 507 H 0.19 0.45 -0.06 -0.55 8.34 8.36 2z5xA1 PHE 507 HA -0.01 0.02 0.62 -0.75 4.62 4.50 2z5xA1 PHE 507 HB2 -0.01 0.07 0.22 -0.04 3.15 3.39 2z5xA1 PHE 507 HB3 -0.01 0.20 0.30 -0.04 3.06 3.51 2z5xA1 PHE 507 HD2 -0.00 0.02 -0.03 -0.04 7.28 7.23 2z5xA1 PHE 507 HE2 0.00 -0.01 -0.00 -0.04 7.38 7.33 2z5xA1 PHE 507 HZ 0.00 0.00 0.01 -0.04 7.32 7.29 2z5xA1 SER 508 H 0.14 0.49 -0.07 -0.55 8.46 8.48 2z5xA1 SER 508 HA -0.03 0.05 0.92 -0.75 4.49 4.67 2z5xA1 SER 508 HB2 0.07 -0.04 0.11 -0.04 3.95 4.05 2z5xA1 SER 508 HB3 0.15 0.08 0.05 -0.04 3.93 4.17 2z5xA1 THR 509 H 0.01 0.64 -0.03 -0.55 8.28 8.36 2z5xA1 THR 509 HA 0.00 0.10 0.85 -0.75 4.39 4.59 2z5xA1 THR 509 HB -0.01 0.10 0.23 -0.04 4.32 4.60 2z5xA1 THR 509 HG23 -0.02 -0.01 -0.12 -0.04 1.22 1.03 2z5xA1 SER 510 H -0.04 0.46 -0.20 -0.55 8.46 8.13 2z5xA1 SER 510 HA -0.06 0.00 0.24 -0.75 4.49 3.92 2z5xA1 SER 510 HB2 -0.07 -0.04 0.15 -0.04 3.95 3.95 2z5xA1 SER 510 HB3 -0.12 0.23 0.32 -0.04 3.93 4.32 2z5xA1 VAL 511 H -0.16 0.37 -0.06 -0.55 8.24 7.84 2z5xA1 VAL 511 HA -0.12 -0.00 0.27 -0.75 4.13 3.52 2z5xA1 VAL 511 HB -0.21 0.03 0.16 -0.04 2.12 2.06 2z5xA1 VAL 511 HG13 -0.10 -0.01 -0.01 -0.04 0.97 0.81 2z5xA1 VAL 511 HG23 -0.49 0.05 0.07 -0.04 0.95 0.53 2z5xA1 THR 512 H -0.03 0.30 -0.05 -0.55 8.28 7.95 2z5xA1 THR 512 HA 0.00 -0.03 0.45 -0.75 4.39 4.06 2z5xA1 THR 512 HB 0.01 0.15 0.03 -0.04 4.32 4.47 2z5xA1 THR 512 HG23 0.06 -0.02 -0.12 -0.04 1.22 1.10 2z5xA1 ALA 513 H -0.01 0.52 -0.56 -0.55 8.40 7.80 2z5xA1 ALA 513 HA 0.07 0.02 0.61 -0.75 4.34 4.29 2z5xA1 ALA 513 HB3 -0.03 0.07 0.14 -0.04 1.41 1.55 2z5xA1 LEU 514 H -0.03 0.49 0.18 -0.55 8.37 8.46 2z5xA1 LEU 514 HA -0.03 -0.03 0.50 -0.75 4.35 4.05 2z5xA1 LEU 514 HB2 -0.06 0.02 0.15 -0.04 1.64 1.71 2z5xA1 LEU 514 HB3 -0.06 0.12 0.22 -0.04 1.64 1.88 2z5xA1 LEU 514 HG -0.05 0.01 0.05 -0.04 1.64 1.60 2z5xA1 LEU 514 HD13 -0.03 0.00 -0.06 -0.04 0.93 0.79 2z5xA1 LEU 514 HD23 -0.04 -0.03 0.11 -0.04 0.89 0.89 2z5xA1 GLY 515 H 0.01 0.61 -0.16 -0.55 8.43 8.34 2z5xA1 GLY 515 HA2 0.02 0.03 0.54 -0.51 4.01 4.08 2z5xA1 GLY 515 HA3 -0.01 0.06 0.27 -0.51 4.01 3.82 2z5xA1 PHE 516 H 0.17 0.40 -0.53 -0.55 8.34 7.82 2z5xA1 PHE 516 HA 0.09 0.10 0.83 -0.75 4.62 4.89 2z5xA1 PHE 516 HB2 -0.01 0.24 0.18 -0.04 3.15 3.52 2z5xA1 PHE 516 HB3 -0.01 0.05 0.09 -0.04 3.06 3.14 2z5xA1 PHE 516 HD2 0.04 -0.01 0.06 -0.04 7.28 7.33 2z5xA1 PHE 516 HE2 0.05 -0.02 0.01 -0.04 7.38 7.38 2z5xA1 PHE 516 HZ 0.05 -0.02 0.01 -0.04 7.32 7.31 2z5xA1 VAL 517 H 0.09 0.43 0.14 -0.55 8.24 8.35 2z5xA1 VAL 517 HA -0.08 0.05 0.62 -0.75 4.13 3.97 2z5xA1 VAL 517 HB -0.06 0.05 0.27 -0.04 2.12 2.34 2z5xA1 VAL 517 HG13 -0.32 -0.00 -0.10 -0.04 0.97 0.51 2z5xA1 VAL 517 HG23 -0.12 0.02 0.04 -0.04 0.95 0.85 2z5xA1 LEU 518 H 0.03 0.76 0.05 -0.55 8.37 8.66 2z5xA1 LEU 518 HA 0.06 0.05 0.32 -0.75 4.35 4.02 2z5xA1 LEU 518 HB2 0.04 0.15 0.15 -0.04 1.64 1.94 2z5xA1 LEU 518 HB3 0.06 -0.01 -0.25 -0.04 1.64 1.40 2z5xA1 LEU 518 HG 0.05 0.17 0.02 -0.04 1.64 1.83 2z5xA1 LEU 518 HD13 0.01 -0.02 -0.05 -0.04 0.93 0.83 2z5xA1 LEU 518 HD23 0.01 0.01 -0.00 -0.04 0.89 0.86 2z5xA1 TYR 519 H 0.18 0.18 -0.64 -0.55 8.29 7.45 2z5xA1 TYR 519 HA 0.01 -0.02 0.40 -0.75 4.56 4.20 2z5xA1 TYR 519 HB2 -0.09 0.16 0.11 -0.04 3.06 3.20 2z5xA1 TYR 519 HB3 -0.10 0.06 0.07 -0.04 2.98 2.96 2z5xA1 TYR 519 HD2 -0.14 -0.03 -0.01 -0.04 7.15 6.94 2z5xA1 TYR 519 HE2 -0.06 -0.02 0.00 -0.04 6.85 6.73 2z5xA1 LYS 520 H 0.17 0.44 -0.21 -0.55 8.42 8.26 2z5xA1 LYS 520 HA -0.03 0.08 0.67 -0.75 4.32 4.29 2z5xA1 LYS 520 HB2 0.21 0.08 0.16 -0.04 1.87 2.28 2z5xA1 LYS 520 HB3 0.14 0.01 0.15 -0.04 1.79 2.05 2z5xA1 LYS 520 HG2 0.09 0.01 0.01 -0.04 1.46 1.52 2z5xA1 LYS 520 HG3 0.10 -0.03 0.05 -0.04 1.46 1.54 2z5xA1 LYS 520 HD2 0.08 -0.01 0.01 -0.04 1.69 1.72 2z5xA1 LYS 520 HD3 0.19 0.01 -0.05 -0.04 1.68 1.79 2z5xA1 LYS 520 HE2 0.08 0.01 -0.03 -0.04 2.99 3.01 2z5xA1 LYS 520 HE3 0.06 -0.02 -0.00 -0.04 2.99 2.98 2z5xA1 TYR 521 H 0.23 0.51 -0.01 -0.55 8.29 8.46 2z5xA1 TYR 521 HA -0.01 0.02 0.51 -0.75 4.56 4.33 2z5xA1 TYR 521 HB2 0.02 0.18 0.11 -0.04 3.06 3.33 2z5xA1 TYR 521 HB3 0.01 -0.04 0.03 -0.04 2.98 2.93 2z5xA1 TYR 521 HD2 0.01 -0.03 -0.05 -0.04 7.15 7.04 2z5xA1 TYR 521 HE2 0.00 -0.02 -0.01 -0.04 6.85 6.78 2z5xA1 LYS 522 H 0.06 0.00 -0.90 -0.55 8.42 7.02 2z5xA1 LYS 522 HA -0.03 0.04 0.24 -0.75 4.32 3.81 2z5xA1 LYS 522 HB2 -0.02 -0.10 0.24 -0.04 1.87 1.94 2z5xA1 LYS 522 HB3 -0.11 0.02 0.06 -0.04 1.79 1.72 2z5xA1 LYS 522 HG2 -0.02 0.02 -0.94 -0.04 1.46 0.48 2z5xA1 LYS 522 HG3 -0.03 -0.02 -0.04 -0.04 1.46 1.34 2z5xA1 LYS 522 HD2 -0.09 0.03 -0.02 -0.04 1.69 1.57 2z5xA1 LYS 522 HD3 -0.05 -0.02 -0.03 -0.04 1.68 1.53 2z5xA1 LYS 522 HE2 -0.04 -0.04 0.01 -0.04 2.99 2.88 2z5xA1 LYS 522 HE3 -0.04 -0.03 0.03 -0.04 2.99 2.91 2z5xA1 LEU 523 H 0.10 0.68 -0.08 -0.55 8.37 8.52 2z5xA1 LEU 523 HA 0.05 0.16 0.75 -0.75 4.35 4.55 2z5xA1 LEU 523 HB2 0.09 0.05 -0.12 -0.04 1.64 1.63 2z5xA1 LEU 523 HB3 0.08 -0.05 0.14 -0.04 1.64 1.77 2z5xA1 LEU 523 HG 0.04 -0.01 0.03 -0.04 1.64 1.66 2z5xA1 LEU 523 HD13 0.03 0.02 -0.03 -0.04 0.93 0.90 2z5xA1 LEU 523 HD23 0.06 -0.02 0.01 -0.04 0.89 0.90 2z5xA1 LEU 524 H 0.07 0.20 -0.37 -0.55 8.37 7.72 2z5xA1 LEU 524 HA 0.05 0.20 0.42 -0.75 4.35 4.26 2z5xA1 LEU 524 HB2 0.15 -0.03 -0.39 -0.04 1.64 1.33 2z5xA1 LEU 524 HB3 0.13 0.04 -0.05 -0.04 1.64 1.72 2z5xA1 LEU 524 HG 0.09 0.04 -0.07 -0.04 1.64 1.66 2z5xA1 LEU 524 HD13 -0.02 0.00 -0.00 -0.04 0.93 0.87 2z5xA1 LEU 524 HD23 0.02 -0.02 -0.03 -0.04 0.89 0.82