============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 97 rings ring int. center anis. iso. TYR 2 0.840 8.439 25.049 49.586 -99.200 -91.000 TRP 6 1.040 7.457 12.338 45.207 -99.200 -91.000 TRP6 6 1.020 8.269 12.591 47.436 -99.200 -91.000 HIS 12 0.900 13.841 23.499 50.358 -99.200 -91.000 TRP 17 1.040 20.904 27.466 55.987 -99.200 -91.000 TRP6 17 1.020 22.146 25.611 56.823 -99.200 -91.000 PHE 18 1.000 24.119 21.963 53.553 -99.200 -91.000 PHE 23 1.000 34.410 22.234 60.079 -99.200 -91.000 PHE 26 1.000 26.798 13.091 60.681 -99.200 -91.000 HIS 28 0.900 27.518 9.435 63.781 -99.200 -91.000 TRP 29 1.040 27.612 11.581 73.649 -99.200 -91.000 TRP6 29 1.020 26.425 13.207 74.904 -99.200 -91.000 TYR 32 0.840 26.465 5.150 69.436 -99.200 -91.000 TRP 37 1.040 37.341 -2.801 71.982 -99.200 -91.000 TRP6 37 1.020 36.819 -4.360 70.257 -99.200 -91.000 TRP 52 1.040 31.708 -2.515 57.182 -99.200 -91.000 TRP6 52 1.020 33.241 -0.706 57.034 -99.200 -91.000 PHE 53 1.000 27.786 -4.900 57.520 -99.200 -91.000 PHE 54 1.000 31.221 -11.758 59.428 -99.200 -91.000 TYR 58 0.840 31.376 3.226 59.715 -99.200 -91.000 TRP 61 1.040 27.002 0.215 62.095 -99.200 -91.000 TRP6 61 1.020 25.795 -1.393 60.808 -99.200 -91.000 TYR 62 0.840 29.977 -2.957 72.132 -99.200 -91.000 TRP 74 1.040 29.772 -12.993 71.908 -99.200 -91.000 TRP6 74 1.020 31.176 -14.598 72.893 -99.200 -91.000 TYR 76 0.840 36.445 -4.556 74.798 -99.200 -91.000 HIS 77 0.900 29.067 -6.870 75.970 -99.200 -91.000 TYR 81 0.840 31.708 -3.449 79.125 -99.200 -91.000 PHE 85 1.000 27.005 -4.708 80.922 -99.200 -91.000 TYR 87 0.840 24.051 -1.627 72.571 -99.200 -91.000 PHE 90 1.000 27.495 -1.230 77.150 -99.200 -91.000 PHE 94 1.000 24.951 8.542 76.726 -99.200 -91.000 TRP 99 1.040 27.026 17.132 76.772 -99.200 -91.000 TRP6 99 1.020 24.782 17.884 76.622 -99.200 -91.000 TRP 104 1.040 30.383 18.587 73.774 -99.200 -91.000 TRP6 104 1.020 28.882 16.886 73.055 -99.200 -91.000 PHE 108 1.000 30.864 20.734 68.538 -99.200 -91.000 TYR 115 0.840 26.578 22.064 58.307 -99.200 -91.000 HIS 122 0.900 24.047 5.255 64.432 -99.200 -91.000 HIS 123 0.900 22.366 2.648 61.801 -99.200 -91.000 PHE 126 1.000 19.431 6.048 74.993 -99.200 -91.000 TRP 129 1.040 13.067 13.305 70.862 -99.200 -91.000 TRP6 129 1.020 13.850 11.854 69.193 -99.200 -91.000 TYR 133 0.840 5.365 9.755 69.230 -99.200 -91.000 PHE 136 1.000 17.132 1.828 74.397 -99.200 -91.000 PHE 162 1.000 20.370 20.782 67.021 -99.200 -91.000 TYR 165 0.840 22.315 9.691 61.927 -99.200 -91.000 TYR 166 0.840 14.411 8.905 63.509 -99.200 -91.000 TRP 172 1.040 20.472 -2.659 64.453 -99.200 -91.000 TRP6 172 1.020 22.624 -1.711 64.876 -99.200 -91.000 PHE 174 1.000 10.665 -0.792 66.104 -99.200 -91.000 TYR 181 0.840 27.920 -12.451 54.949 -99.200 -91.000 TYR 187 0.840 17.462 -11.189 54.568 -99.200 -91.000 TYR 193 0.840 1.762 -1.944 56.349 -99.200 -91.000 TYR 195 0.840 11.278 1.574 61.923 -99.200 -91.000 TYR 198 0.840 9.751 4.521 67.247 -99.200 -91.000 TYR 200 0.840 4.169 11.118 59.583 -99.200 -91.000 TYR 210 0.840 14.206 19.229 70.004 -99.200 -91.000 TRP 216 1.040 23.068 14.394 57.328 -99.200 -91.000 TRP6 216 1.020 23.793 12.170 57.196 -99.200 -91.000 TRP 221 1.040 10.570 7.319 55.916 -99.200 -91.000 TRP6 221 1.020 11.411 8.415 57.858 -99.200 -91.000 TYR 231 0.840 0.793 13.360 52.492 -99.200 -91.000 PHE 233 1.000 11.405 15.000 52.537 -99.200 -91.000 TYR 235 0.840 4.098 19.644 60.308 -99.200 -91.000 TYR 236 0.840 12.459 20.781 57.723 -99.200 -91.000 TYR 237 0.840 11.621 21.294 52.115 -99.200 -91.000 HIS 240 0.900 14.065 26.474 59.302 -99.200 -91.000 TRP 249 1.040 15.436 11.931 53.295 -99.200 -91.000 TRP6 249 1.020 14.413 12.199 55.432 -99.200 -91.000 HIS 253 0.900 12.988 17.873 47.544 -99.200 -91.000 TRP 254 1.040 18.343 14.479 45.687 -99.200 -91.000 TRP6 254 1.020 19.991 15.980 44.856 -99.200 -91.000 PHE 256 1.000 22.393 18.064 52.573 -99.200 -91.000 TYR 261 0.840 35.338 7.075 56.899 -99.200 -91.000 HIS 262 0.900 38.565 5.697 50.223 -99.200 -91.000 TYR 265 0.840 35.708 12.885 48.067 -99.200 -91.000 TYR 272 0.840 25.516 15.432 42.674 -99.200 -91.000 TRP 274 1.040 29.799 17.206 46.622 -99.200 -91.000 TRP6 274 1.020 31.576 16.021 47.679 -99.200 -91.000 PHE 276 1.000 34.635 12.740 52.752 -99.200 -91.000 PHE 284 1.000 30.769 8.463 60.547 -99.200 -91.000 TYR 286 0.840 36.277 7.125 73.055 -99.200 -91.000 HIS 294 0.900 44.317 3.122 64.353 -99.200 -91.000 TYR 303 0.840 47.195 19.102 52.580 -99.200 -91.000 TRP 341 1.040 44.512 26.090 56.452 -99.200 -91.000 TRP6 341 1.020 42.574 26.167 55.115 -99.200 -91.000 TYR 345 0.840 45.946 30.053 54.613 -99.200 -91.000 TYR 350 0.840 34.229 29.662 56.906 -99.200 -91.000 TRP 355 1.040 37.713 29.351 38.118 -99.200 -91.000 TRP6 355 1.020 39.772 28.579 37.255 -99.200 -91.000 PHE 370 1.000 42.725 26.142 40.117 -99.200 -91.000 PHE 378 1.000 39.457 33.229 47.283 -99.200 -91.000 PHE 381 1.000 50.053 26.564 44.655 -99.200 -91.000 HIS 404 0.900 51.330 35.125 50.056 -99.200 -91.000 PHE 405 1.000 43.555 34.302 51.432 -99.200 -91.000 PHE 413 1.000 49.697 36.536 36.111 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2zx9B1 ARG 7 HA -0.07 -0.03 0.18 -0.75 4.34 3.66 2zx9B1 ARG 7 HB2 -0.07 -0.07 0.01 -0.04 1.90 1.73 2zx9B1 ARG 7 HB3 -0.02 0.03 -0.15 -0.04 1.80 1.61 2zx9B1 ARG 7 HG2 -0.05 -0.02 0.02 -0.04 1.67 1.58 2zx9B1 ARG 7 HG3 -0.02 -0.05 -0.02 -0.04 1.67 1.54 2zx9B1 ARG 7 HD2 -0.01 0.03 0.06 -0.04 3.22 3.26 2zx9B1 ARG 7 HD3 -0.02 0.02 0.03 -0.04 3.22 3.21 2zx9B1 TYR 8 H 0.16 0.13 0.05 -0.55 8.29 8.08 2zx9B1 TYR 8 HA -0.00 0.11 0.66 -0.75 4.56 4.58 2zx9B1 TYR 8 HB2 0.07 -0.01 0.03 -0.04 3.06 3.11 2zx9B1 TYR 8 HB3 0.04 -0.02 -0.04 -0.04 2.98 2.92 2zx9B1 TYR 8 HD2 0.03 -0.01 -0.18 -0.04 7.15 6.95 2zx9B1 TYR 8 HE2 -0.03 0.05 -0.21 -0.04 6.85 6.62 2zx9B1 LYS 9 H 0.08 0.09 0.12 -0.55 8.42 8.16 2zx9B1 LYS 9 HA 0.03 0.21 0.70 -0.75 4.32 4.52 2zx9B1 LYS 9 HB2 -0.01 -0.11 0.03 -0.04 1.87 1.74 2zx9B1 LYS 9 HB3 -0.01 0.01 -0.01 -0.04 1.79 1.74 2zx9B1 LYS 9 HG2 -0.00 0.01 -0.06 -0.04 1.46 1.37 2zx9B1 LYS 9 HG3 0.00 0.10 -0.21 -0.04 1.46 1.31 2zx9B1 LYS 9 HD2 -0.01 -0.04 0.01 -0.04 1.69 1.61 2zx9B1 LYS 9 HD3 -0.01 -0.06 -0.03 -0.04 1.68 1.54 2zx9B1 LYS 9 HE2 -0.01 -0.02 -0.04 -0.04 2.99 2.88 2zx9B1 LYS 9 HE3 -0.02 0.12 -0.04 -0.04 2.99 3.01 2zx9B1 PRO 10 HA -0.21 0.23 0.55 -0.51 4.44 4.50 2zx9B1 PRO 10 HB2 -0.29 -0.07 -0.00 -0.04 2.28 1.87 2zx9B1 PRO 10 HB3 0.07 0.08 -0.02 -0.04 2.02 2.11 2zx9B1 PRO 10 HG2 0.06 -0.01 0.07 -0.04 2.03 2.10 2zx9B1 PRO 10 HG3 0.20 0.04 0.05 -0.04 2.03 2.28 2zx9B1 PRO 10 HD2 0.02 0.08 0.14 -0.04 3.68 3.88 2zx9B1 PRO 10 HD3 0.06 0.21 0.10 -0.04 3.65 3.98 2zx9B1 ASP 11 H -0.20 0.69 0.03 -0.55 8.40 8.37 2zx9B1 ASP 11 HA -0.70 0.07 0.41 -0.75 4.63 3.65 2zx9B1 ASP 11 HB2 -0.25 -0.04 0.15 -0.04 2.71 2.53 2zx9B1 ASP 11 HB3 -0.21 0.21 -0.23 -0.04 2.70 2.43 2zx9B1 TRP 12 H -0.84 0.19 0.11 -0.55 7.97 6.89 2zx9B1 TRP 12 HA -0.08 0.10 0.31 -0.75 4.62 4.19 2zx9B1 TRP 12 HB2 -0.03 -0.03 0.08 -0.04 3.23 3.21 2zx9B1 TRP 12 HB3 -0.02 0.11 -0.05 -0.04 3.23 3.23 2zx9B1 TRP 12 HD1 -0.03 0.02 0.04 -0.04 7.22 7.21 2zx9B1 TRP 12 HE1 -0.06 0.02 0.02 -0.04 10.20 10.14 2zx9B1 TRP 12 HE3 -0.04 0.06 -0.11 -0.04 7.59 7.46 2zx9B1 TRP 12 HZ2 -0.16 0.06 -0.02 -0.04 7.44 7.28 2zx9B1 TRP 12 HZ3 -0.17 0.08 -0.21 -0.04 7.13 6.80 2zx9B1 TRP 12 HH2 -0.44 -0.02 -0.15 -0.04 7.19 6.53 2zx9B1 GLU 13 H 0.08 0.05 -0.15 -0.55 8.60 8.03 2zx9B1 GLU 13 HA 0.08 0.12 0.39 -0.75 4.29 4.13 2zx9B1 GLU 13 HB2 0.05 -0.03 0.09 -0.04 2.09 2.15 2zx9B1 GLU 13 HB3 0.02 -0.03 0.02 -0.04 1.99 1.96 2zx9B1 GLU 13 HG2 0.02 0.05 -0.11 -0.04 2.34 2.27 2zx9B1 GLU 13 HG3 0.04 0.03 0.05 -0.04 2.34 2.42 2zx9B1 SER 14 H -0.01 0.02 -0.25 -0.55 8.46 7.68 2zx9B1 SER 14 HA 0.03 0.11 0.48 -0.75 4.49 4.35 2zx9B1 SER 14 HB2 -0.00 -0.04 0.08 -0.04 3.95 3.94 2zx9B1 SER 14 HB3 -0.02 0.10 0.18 -0.04 3.93 4.15 2zx9B1 LEU 15 H -0.02 0.58 0.06 -0.55 8.37 8.44 2zx9B1 LEU 15 HA -0.04 0.04 0.35 -0.75 4.35 3.95 2zx9B1 LEU 15 HB2 -0.04 -0.03 0.01 -0.04 1.64 1.54 2zx9B1 LEU 15 HB3 -0.50 0.01 -0.03 -0.04 1.64 1.08 2zx9B1 LEU 15 HG -0.08 0.09 0.06 -0.04 1.64 1.67 2zx9B1 LEU 15 HD13 -0.18 -0.03 -0.17 -0.04 0.93 0.51 2zx9B1 LEU 15 HD23 -0.01 -0.00 -0.18 -0.04 0.89 0.65 2zx9B1 ARG 16 H 0.02 0.27 -0.67 -0.55 8.46 7.54 2zx9B1 ARG 16 HA 0.09 0.07 0.40 -0.75 4.34 4.14 2zx9B1 ARG 16 HB2 0.05 -0.06 0.09 -0.04 1.90 1.94 2zx9B1 ARG 16 HB3 0.03 0.23 0.12 -0.04 1.80 2.13 2zx9B1 ARG 16 HG2 -0.01 -0.01 -0.16 -0.04 1.67 1.45 2zx9B1 ARG 16 HG3 -0.04 0.04 0.10 -0.04 1.67 1.74 2zx9B1 ARG 16 HD2 -0.05 -0.00 0.04 -0.04 3.22 3.16 2zx9B1 ARG 16 HD3 -0.00 -0.06 0.02 -0.04 3.22 3.14 2zx9B1 GLU 17 H 0.06 0.50 -0.26 -0.55 8.60 8.36 2zx9B1 GLU 17 HA 0.02 -0.02 0.42 -0.75 4.29 3.95 2zx9B1 GLU 17 HB2 0.21 0.09 0.06 -0.04 2.09 2.42 2zx9B1 GLU 17 HB3 0.06 -0.06 0.07 -0.04 1.99 2.03 2zx9B1 GLU 17 HG2 0.01 -0.08 0.07 -0.04 2.34 2.31 2zx9B1 GLU 17 HG3 0.04 0.08 0.18 -0.04 2.34 2.60 2zx9B1 HIS 18 H 0.03 0.40 -0.48 -0.55 8.41 7.81 2zx9B1 HIS 18 HA -0.12 0.08 0.83 -0.75 4.63 4.66 2zx9B1 HIS 18 HB2 -1.09 -0.09 0.03 -0.04 3.26 2.07 2zx9B1 HIS 18 HB3 -0.61 0.08 0.15 -0.04 3.20 2.78 2zx9B1 HIS 18 HD2 -0.86 -0.08 0.07 -0.04 6.97 6.06 2zx9B1 HIS 18 HE1 -0.22 -0.11 -0.05 -0.04 7.75 7.32 2zx9B1 THR 19 H -0.43 0.15 0.15 -0.55 8.28 7.60 2zx9B1 THR 19 HA -0.14 0.22 1.07 -0.75 4.39 4.78 2zx9B1 THR 19 HB -0.11 -0.01 0.13 -0.04 4.32 4.29 2zx9B1 THR 19 HG23 -0.10 0.02 -0.06 -0.04 1.22 1.04 2zx9B1 VAL 20 H -0.08 0.12 0.22 -0.55 8.24 7.95 2zx9B1 VAL 20 HA -0.10 0.02 0.39 -0.75 4.13 3.68 2zx9B1 VAL 20 HB 0.07 0.29 0.24 -0.04 2.12 2.68 2zx9B1 VAL 20 HG13 0.04 -0.02 0.05 -0.04 0.97 0.99 2zx9B1 VAL 20 HG23 -0.02 -0.01 -0.06 -0.04 0.95 0.82 2zx9B1 PRO 21 HA -0.16 0.08 0.55 -0.51 4.44 4.40 2zx9B1 PRO 21 HB2 -0.88 -0.25 0.06 -0.04 2.28 1.17 2zx9B1 PRO 21 HB3 -0.04 0.00 0.21 -0.04 2.02 2.16 2zx9B1 PRO 21 HG2 -0.16 0.18 -0.04 -0.04 2.03 1.97 2zx9B1 PRO 21 HG3 -0.07 0.26 0.13 -0.04 2.03 2.31 2zx9B1 PRO 21 HD2 -0.40 -0.05 0.18 -0.04 3.68 3.37 2zx9B1 PRO 21 HD3 -0.11 0.13 0.21 -0.04 3.65 3.84 2zx9B1 LYS 22 H -0.03 0.16 0.20 -0.55 8.42 8.20 2zx9B1 LYS 22 HA -0.02 0.14 0.43 -0.75 4.32 4.11 2zx9B1 LYS 22 HB2 0.03 0.00 0.20 -0.04 1.87 2.07 2zx9B1 LYS 22 HB3 0.09 0.01 -0.01 -0.04 1.79 1.84 2zx9B1 LYS 22 HG2 0.04 0.02 0.06 -0.04 1.46 1.54 2zx9B1 LYS 22 HG3 0.02 0.04 0.07 -0.04 1.46 1.54 2zx9B1 LYS 22 HD2 0.06 -0.00 0.00 -0.04 1.69 1.70 2zx9B1 LYS 22 HD3 0.04 0.01 0.02 -0.04 1.68 1.70 2zx9B1 LYS 22 HE2 0.02 0.01 0.03 -0.04 2.99 3.01 2zx9B1 LYS 22 HE3 0.03 -0.01 0.07 -0.04 2.99 3.04 2zx9B1 TRP 23 H 0.19 0.11 -0.12 -0.55 7.97 7.60 2zx9B1 TRP 23 HA 0.03 0.08 0.41 -0.75 4.62 4.38 2zx9B1 TRP 23 HB2 0.04 0.04 0.05 -0.04 3.23 3.33 2zx9B1 TRP 23 HB3 0.04 -0.02 0.10 -0.04 3.23 3.32 2zx9B1 TRP 23 HD1 0.04 -0.07 0.07 -0.04 7.22 7.22 2zx9B1 TRP 23 HE1 0.03 0.67 0.16 -0.04 10.20 11.01 2zx9B1 TRP 23 HE3 -0.03 -0.02 -0.56 -0.04 7.59 6.94 2zx9B1 TRP 23 HZ2 0.12 0.25 -0.07 -0.04 7.44 7.70 2zx9B1 TRP 23 HZ3 -0.51 -0.04 -0.21 -0.04 7.13 6.33 2zx9B1 TRP 23 HH2 -0.01 -0.11 -0.25 -0.04 7.19 6.78 2zx9B1 PHE 24 H -0.90 0.16 -0.42 -0.55 8.34 6.63 2zx9B1 PHE 24 HA -0.79 0.02 0.33 -0.75 4.62 3.43 2zx9B1 PHE 24 HB2 -2.01 -0.03 -0.01 -0.04 3.15 1.07 2zx9B1 PHE 24 HB3 -0.73 0.15 -0.01 -0.04 3.06 2.42 2zx9B1 PHE 24 HD2 -0.86 0.03 -0.24 -0.04 7.28 6.16 2zx9B1 PHE 24 HE2 -0.61 -0.03 -0.24 -0.04 7.38 6.46 2zx9B1 PHE 24 HZ -0.95 -0.09 -0.25 -0.04 7.32 6.00 2zx9B1 ASP 25 H -0.12 0.23 -0.17 -0.55 8.40 7.80 2zx9B1 ASP 25 HA -0.05 0.06 0.37 -0.75 4.63 4.26 2zx9B1 ASP 25 HB2 -0.01 -0.00 0.08 -0.04 2.71 2.74 2zx9B1 ASP 25 HB3 0.01 0.01 0.08 -0.04 2.70 2.76 2zx9B1 LYS 26 H 0.02 0.34 -0.21 -0.55 8.42 8.02 2zx9B1 LYS 26 HA 0.07 0.08 0.44 -0.75 4.32 4.15 2zx9B1 LYS 26 HB2 0.13 0.01 0.08 -0.04 1.87 2.05 2zx9B1 LYS 26 HB3 0.10 -0.14 0.09 -0.04 1.79 1.80 2zx9B1 LYS 26 HG2 0.06 -0.03 0.04 -0.04 1.46 1.49 2zx9B1 LYS 26 HG3 0.09 0.32 0.05 -0.04 1.46 1.88 2zx9B1 LYS 26 HD2 0.09 -0.08 -0.03 -0.04 1.69 1.62 2zx9B1 LYS 26 HD3 0.09 -0.03 0.03 -0.04 1.68 1.72 2zx9B1 LYS 26 HE2 0.06 -0.06 0.00 -0.04 2.99 2.95 2zx9B1 LYS 26 HE3 0.06 -0.05 0.01 -0.04 2.99 2.97 2zx9B1 ALA 27 H 0.11 0.53 0.02 -0.55 8.40 8.52 2zx9B1 ALA 27 HA 0.22 -0.04 0.54 -0.75 4.34 4.31 2zx9B1 ALA 27 HB3 0.25 -0.01 0.09 -0.04 1.41 1.70 2zx9B1 LYS 28 H 0.34 0.00 0.27 -0.55 8.42 8.48 2zx9B1 LYS 28 HA -0.02 0.46 1.13 -0.75 4.32 5.13 2zx9B1 LYS 28 HB2 0.04 -0.13 -0.02 -0.04 1.87 1.71 2zx9B1 LYS 28 HB3 -0.02 -0.02 0.13 -0.04 1.79 1.84 2zx9B1 LYS 28 HG2 0.12 0.16 -0.54 -0.04 1.46 1.16 2zx9B1 LYS 28 HG3 0.02 0.02 -0.33 -0.04 1.46 1.13 2zx9B1 LYS 28 HD2 -0.04 -0.06 0.05 -0.04 1.69 1.59 2zx9B1 LYS 28 HD3 -0.05 0.23 0.01 -0.04 1.68 1.84 2zx9B1 LYS 28 HE2 0.05 -0.16 0.12 -0.04 2.99 2.96 2zx9B1 LYS 28 HE3 0.03 -0.01 0.06 -0.04 2.99 3.03 2zx9B1 PHE 29 H 0.28 0.02 0.21 -0.55 8.34 8.30 2zx9B1 PHE 29 HA -0.09 0.31 1.00 -0.75 4.62 5.08 2zx9B1 PHE 29 HB2 -0.00 0.04 -0.11 -0.04 3.15 3.03 2zx9B1 PHE 29 HB3 0.12 0.07 0.17 -0.04 3.06 3.38 2zx9B1 PHE 29 HD2 -0.00 0.24 -0.22 -0.04 7.28 7.25 2zx9B1 PHE 29 HE2 -0.04 0.08 -0.25 -0.04 7.38 7.13 2zx9B1 PHE 29 HZ -0.05 -0.08 -0.13 -0.04 7.32 7.02 2zx9B1 GLY 30 H -0.20 0.78 0.47 -0.55 8.43 8.94 2zx9B1 GLY 30 HA2 -1.00 0.06 0.92 -0.51 4.01 3.48 2zx9B1 GLY 30 HA3 -1.85 0.00 0.25 -0.51 4.01 1.90 2zx9B1 ILE 31 H -0.59 0.61 0.35 -0.55 8.25 8.07 2zx9B1 ILE 31 HA -0.35 0.35 1.03 -0.75 4.18 4.46 2zx9B1 ILE 31 HB -0.77 -0.03 0.13 -0.04 1.89 1.18 2zx9B1 ILE 31 HG12 -0.64 0.01 -0.10 -0.04 1.49 0.72 2zx9B1 ILE 31 HG13 -0.61 -0.05 -0.03 -0.04 1.21 0.48 2zx9B1 ILE 31 HG23 -0.95 -0.02 -0.17 -0.04 0.93 -0.24 2zx9B1 ILE 31 HD13 -0.19 0.03 -0.07 -0.04 0.88 0.61 2zx9B1 PHE 32 H -0.06 0.66 0.14 -0.55 8.34 8.53 2zx9B1 PHE 32 HA -0.19 0.22 0.59 -0.75 4.62 4.48 2zx9B1 PHE 32 HB2 -0.12 0.12 -0.35 -0.04 3.15 2.75 2zx9B1 PHE 32 HB3 -0.02 -0.17 -0.17 -0.04 3.06 2.67 2zx9B1 PHE 32 HD2 -0.10 0.22 -0.03 -0.04 7.28 7.32 2zx9B1 PHE 32 HE2 -0.42 -0.02 -0.17 -0.04 7.38 6.73 2zx9B1 PHE 32 HZ -1.89 -0.03 -0.16 -0.04 7.32 5.20 2zx9B1 ILE 33 H 0.11 0.51 0.16 -0.55 8.25 8.48 2zx9B1 ILE 33 HA -0.06 0.35 1.11 -0.75 4.18 4.83 2zx9B1 ILE 33 HB 0.12 -0.13 0.13 -0.04 1.89 1.97 2zx9B1 ILE 33 HG12 -0.34 0.09 -0.30 -0.04 1.49 0.90 2zx9B1 ILE 33 HG13 -0.12 -0.03 -0.60 -0.04 1.21 0.41 2zx9B1 ILE 33 HG23 -0.07 -0.00 -0.19 -0.04 0.93 0.63 2zx9B1 ILE 33 HD13 0.17 0.01 -0.17 -0.04 0.88 0.85 2zx9B1 HIS 34 H 0.13 0.43 0.05 -0.55 8.41 8.47 2zx9B1 HIS 34 HA -0.08 0.06 0.90 -0.75 4.63 4.75 2zx9B1 HIS 34 HB2 -0.02 0.17 -0.24 -0.04 3.26 3.13 2zx9B1 HIS 34 HB3 -0.05 -0.14 -0.13 -0.04 3.20 2.85 2zx9B1 HIS 34 HD2 -0.67 -0.11 -0.08 -0.04 6.97 6.06 2zx9B1 HIS 34 HE1 -2.51 0.10 -0.18 -0.04 7.75 5.11 2zx9B1 TRP 35 H 0.24 0.30 0.13 -0.55 7.97 8.09 2zx9B1 TRP 35 HA -0.08 0.14 0.84 -0.75 4.62 4.76 2zx9B1 TRP 35 HB2 0.17 0.02 -0.22 -0.04 3.23 3.15 2zx9B1 TRP 35 HB3 0.13 0.03 0.01 -0.04 3.23 3.36 2zx9B1 TRP 35 HD1 0.01 0.04 -0.09 -0.04 7.22 7.15 2zx9B1 TRP 35 HE1 0.25 0.35 -0.20 -0.04 10.20 10.56 2zx9B1 TRP 35 HE3 0.09 -0.02 -0.08 -0.04 7.59 7.54 2zx9B1 TRP 35 HZ2 -0.12 -0.03 -0.12 -0.04 7.44 7.12 2zx9B1 TRP 35 HZ3 -1.47 -0.01 -0.06 -0.04 7.13 5.55 2zx9B1 TRP 35 HH2 -1.92 0.07 -0.07 -0.04 7.19 5.23 2zx9B1 GLY 36 H -0.76 0.25 0.13 -0.55 8.43 7.51 2zx9B1 GLY 36 HA2 -0.86 0.24 0.39 -0.51 4.01 3.27 2zx9B1 GLY 36 HA3 -1.04 -0.03 0.36 -0.51 4.01 2.79 2zx9B1 ILE 37 H -0.75 0.20 0.12 -0.55 8.25 7.26 2zx9B1 ILE 37 HA -1.01 0.22 0.48 -0.75 4.18 3.11 2zx9B1 ILE 37 HB -0.42 0.11 -0.27 -0.04 1.89 1.27 2zx9B1 ILE 37 HG12 -0.10 -0.15 -0.07 -0.04 1.49 1.12 2zx9B1 ILE 37 HG13 -0.41 0.08 -0.23 -0.04 1.21 0.61 2zx9B1 ILE 37 HG23 -1.23 0.02 0.01 -0.04 0.93 -0.31 2zx9B1 ILE 37 HD13 -0.11 0.00 -0.05 -0.04 0.88 0.68 2zx9B1 TYR 38 H -0.85 -0.01 -0.37 -0.55 8.29 6.50 2zx9B1 TYR 38 HA -0.17 0.18 0.47 -0.75 4.56 4.28 2zx9B1 TYR 38 HB2 0.08 0.14 -0.00 -0.04 3.06 3.24 2zx9B1 TYR 38 HB3 0.24 0.00 0.07 -0.04 2.98 3.25 2zx9B1 TYR 38 HD2 0.05 0.05 -0.18 -0.04 7.15 7.03 2zx9B1 TYR 38 HE2 -0.03 0.05 -0.19 -0.04 6.85 6.65 2zx9B1 SER 39 H -0.76 0.22 -0.51 -0.55 8.46 6.87 2zx9B1 SER 39 HA 0.09 0.07 0.35 -0.75 4.49 4.24 2zx9B1 SER 39 HB2 -0.45 0.24 0.06 -0.04 3.95 3.75 2zx9B1 SER 39 HB3 0.13 0.01 -0.07 -0.04 3.93 3.97 2zx9B1 VAL 40 H -0.42 0.25 -0.54 -0.55 8.24 6.98 2zx9B1 VAL 40 HA -0.04 -0.03 0.45 -0.75 4.13 3.76 2zx9B1 VAL 40 HB -0.54 0.13 0.15 -0.04 2.12 1.83 2zx9B1 VAL 40 HG13 0.07 -0.00 -0.07 -0.04 0.97 0.92 2zx9B1 VAL 40 HG23 -0.13 -0.03 -0.00 -0.04 0.95 0.74 2zx9B1 PRO 41 HA 0.01 0.10 0.34 -0.51 4.44 4.38 2zx9B1 PRO 41 HB2 -0.35 -0.02 -0.01 -0.04 2.28 1.86 2zx9B1 PRO 41 HB3 -0.68 0.04 0.08 -0.04 2.02 1.42 2zx9B1 PRO 41 HG2 -0.82 0.08 0.09 -0.04 2.03 1.34 2zx9B1 PRO 41 HG3 -1.71 -0.03 0.07 -0.04 2.03 0.32 2zx9B1 PRO 41 HD2 -0.78 0.01 0.03 -0.04 3.68 2.91 2zx9B1 PRO 41 HD3 -2.44 0.09 0.16 -0.04 3.65 1.43 2zx9B1 GLY 42 H -0.10 0.18 -0.83 -0.55 8.43 7.14 2zx9B1 GLY 42 HA2 0.05 0.09 0.15 -0.51 4.01 3.80 2zx9B1 GLY 42 HA3 0.09 0.00 0.23 -0.51 4.01 3.83 2zx9B1 TRP 43 H 0.20 0.15 -0.20 -0.55 7.97 7.57 2zx9B1 TRP 43 HA -0.18 -0.02 0.98 -0.75 4.62 4.65 2zx9B1 TRP 43 HB2 -0.18 0.27 -0.26 -0.04 3.23 3.02 2zx9B1 TRP 43 HB3 0.04 -0.06 -0.08 -0.04 3.23 3.09 2zx9B1 TRP 43 HD1 -0.54 0.06 -0.05 -0.04 7.22 6.65 2zx9B1 TRP 43 HE1 -0.34 0.02 -0.07 -0.04 10.20 9.76 2zx9B1 TRP 43 HE3 0.00 -0.01 -0.50 -0.04 7.59 7.04 2zx9B1 TRP 43 HZ2 -0.07 0.03 -0.12 -0.04 7.44 7.23 2zx9B1 TRP 43 HZ3 -0.04 -0.11 -0.24 -0.04 7.13 6.70 2zx9B1 TRP 43 HH2 -0.02 -0.06 -0.23 -0.04 7.19 6.84 2zx9B1 ALA 44 H -0.92 0.28 0.16 -0.55 8.40 7.37 2zx9B1 ALA 44 HA -0.29 0.08 0.34 -0.75 4.34 3.72 2zx9B1 ALA 44 HB3 -0.18 0.06 -0.25 -0.04 1.41 1.00 2zx9B1 THR 45 H -0.43 0.22 -0.05 -0.55 8.28 7.46 2zx9B1 THR 45 HA -0.61 0.19 0.69 -0.75 4.39 3.91 2zx9B1 THR 45 HB -0.21 0.06 -0.05 -0.04 4.32 4.08 2zx9B1 THR 45 HG23 -0.08 -0.00 -0.03 -0.04 1.22 1.06 2zx9B1 PRO 46 HA -0.34 0.02 0.30 -0.51 4.44 3.91 2zx9B1 PRO 46 HB2 -0.68 0.06 0.16 -0.04 2.28 1.79 2zx9B1 PRO 46 HB3 -0.67 -0.06 0.06 -0.04 2.02 1.30 2zx9B1 PRO 46 HG2 -0.61 0.13 0.00 -0.04 2.03 1.52 2zx9B1 PRO 46 HG3 -0.53 -0.04 -0.11 -0.04 2.03 1.32 2zx9B1 PRO 46 HD2 -0.31 0.12 0.03 -0.04 3.68 3.48 2zx9B1 PRO 46 HD3 -0.47 0.18 0.27 -0.04 3.65 3.59 2zx9B1 THR 47 H -0.31 0.66 0.14 -0.55 8.28 8.23 2zx9B1 THR 47 HA -0.14 0.02 0.18 -0.75 4.39 3.70 2zx9B1 THR 47 HB -0.37 0.05 0.16 -0.04 4.32 4.13 2zx9B1 THR 47 HG23 -0.12 -0.04 -0.07 -0.04 1.22 0.94 2zx9B1 GLY 48 H -0.19 0.10 -0.15 -0.55 8.43 7.65 2zx9B1 GLY 48 HA2 -0.03 0.09 0.31 -0.51 4.01 3.87 2zx9B1 GLY 48 HA3 -0.01 0.15 0.62 -0.51 4.01 4.26 2zx9B1 GLU 49 H 0.06 0.18 0.13 -0.55 8.60 8.42 2zx9B1 GLU 49 HA -0.19 0.15 0.67 -0.75 4.29 4.17 2zx9B1 GLU 49 HB2 0.31 -0.00 0.00 -0.04 2.09 2.36 2zx9B1 GLU 49 HB3 0.12 0.03 0.11 -0.04 1.99 2.21 2zx9B1 GLU 49 HG2 0.09 0.08 -0.03 -0.04 2.34 2.44 2zx9B1 GLU 49 HG3 0.10 -0.07 0.10 -0.04 2.34 2.43 2zx9B1 LEU 50 H -0.22 0.18 0.22 -0.55 8.37 8.00 2zx9B1 LEU 50 HA -0.31 0.02 0.48 -0.75 4.35 3.79 2zx9B1 LEU 50 HB2 -0.10 0.02 0.14 -0.04 1.64 1.66 2zx9B1 LEU 50 HB3 0.21 0.02 0.14 -0.04 1.64 1.97 2zx9B1 LEU 50 HG -0.15 0.02 -0.15 -0.04 1.64 1.32 2zx9B1 LEU 50 HD13 -1.24 -0.02 0.05 -0.04 0.93 -0.33 2zx9B1 LEU 50 HD23 0.06 0.03 -0.03 -0.04 0.89 0.90 2zx9B1 GLY 51 H -0.16 0.17 0.22 -0.55 8.43 8.11 2zx9B1 GLY 51 HA2 -0.03 0.02 0.35 -0.51 4.01 3.84 2zx9B1 GLY 51 HA3 0.13 0.17 0.86 -0.51 4.01 4.66 2zx9B1 LYS 52 H 0.09 0.42 -0.03 -0.55 8.42 8.34 2zx9B1 LYS 52 HA -0.06 0.20 0.87 -0.75 4.32 4.58 2zx9B1 LYS 52 HB2 0.07 0.02 0.09 -0.04 1.87 2.01 2zx9B1 LYS 52 HB3 -0.01 -0.00 0.05 -0.04 1.79 1.79 2zx9B1 LYS 52 HG2 -0.23 -0.04 -0.28 -0.04 1.46 0.87 2zx9B1 LYS 52 HG3 0.07 -0.04 -0.03 -0.04 1.46 1.42 2zx9B1 LYS 52 HD2 -0.36 0.01 -0.04 -0.04 1.69 1.26 2zx9B1 LYS 52 HD3 -0.12 -0.01 0.01 -0.04 1.68 1.52 2zx9B1 LYS 52 HE2 -0.17 0.04 0.09 -0.04 2.99 2.91 2zx9B1 LYS 52 HE3 -0.51 0.01 -0.14 -0.04 2.99 2.31 2zx9B1 VAL 53 H 0.12 0.11 0.11 -0.55 8.24 8.03 2zx9B1 VAL 53 HA 0.06 0.22 0.62 -0.75 4.13 4.28 2zx9B1 VAL 53 HB 0.57 -0.12 -0.00 -0.04 2.12 2.53 2zx9B1 VAL 53 HG13 0.09 0.03 -0.20 -0.04 0.97 0.86 2zx9B1 VAL 53 HG23 0.07 0.05 -0.25 -0.04 0.95 0.79 2zx9B1 PRO 54 HA 0.03 0.06 0.44 -0.51 4.44 4.46 2zx9B1 PRO 54 HB2 0.06 -0.12 0.07 -0.04 2.28 2.25 2zx9B1 PRO 54 HB3 0.03 0.12 0.13 -0.04 2.02 2.26 2zx9B1 PRO 54 HG2 0.05 -0.06 0.12 -0.04 2.03 2.10 2zx9B1 PRO 54 HG3 0.03 0.11 0.10 -0.04 2.03 2.23 2zx9B1 PRO 54 HD2 0.04 0.09 0.26 -0.04 3.68 4.03 2zx9B1 PRO 54 HD3 0.02 0.30 0.24 -0.04 3.65 4.18 2zx9B1 MET 55 H 0.03 0.21 0.20 -0.55 8.47 8.36 2zx9B1 MET 55 HA 0.08 0.06 0.48 -0.75 4.52 4.39 2zx9B1 MET 55 HB2 0.05 0.03 0.13 -0.04 2.15 2.31 2zx9B1 MET 55 HB3 0.07 -0.01 0.16 -0.04 2.03 2.20 2zx9B1 MET 55 HG2 -0.08 0.04 0.12 -0.04 2.63 2.67 2zx9B1 MET 55 HG3 -0.10 0.03 0.07 -0.04 2.56 2.51 2zx9B1 MET 55 HE3 -0.68 -0.01 0.01 -0.04 2.10 1.38 2zx9B1 ASP 56 H 0.14 0.08 -0.36 -0.55 8.40 7.71 2zx9B1 ASP 56 HA 0.41 0.08 0.47 -0.75 4.63 4.84 2zx9B1 ASP 56 HB2 0.14 0.04 -0.12 -0.04 2.71 2.73 2zx9B1 ASP 56 HB3 0.22 0.05 0.06 -0.04 2.70 2.98 2zx9B1 ALA 57 H 0.16 0.26 -0.17 -0.55 8.40 8.11 2zx9B1 ALA 57 HA 0.33 0.25 0.92 -0.75 4.34 5.08 2zx9B1 ALA 57 HB3 0.06 0.03 0.01 -0.04 1.41 1.47 2zx9B1 TRP 58 H 0.19 0.39 0.03 -0.55 7.97 8.02 2zx9B1 TRP 58 HA -0.24 0.07 0.15 -0.75 4.62 3.85 2zx9B1 TRP 58 HB2 -0.30 0.09 -0.09 -0.04 3.23 2.88 2zx9B1 TRP 58 HB3 -0.49 0.04 0.04 -0.04 3.23 2.78 2zx9B1 TRP 58 HD1 -2.55 0.04 -0.32 -0.04 7.22 4.35 2zx9B1 TRP 58 HE1 -1.27 -0.04 -0.08 -0.04 10.20 8.78 2zx9B1 TRP 58 HE3 -0.27 0.05 -0.08 -0.04 7.59 7.24 2zx9B1 TRP 58 HZ2 -1.90 -0.05 0.00 -0.04 7.44 5.45 2zx9B1 TRP 58 HZ3 -0.26 0.03 -0.35 -0.04 7.13 6.51 2zx9B1 TRP 58 HH2 -0.51 0.03 0.03 -0.04 7.19 6.70 2zx9B1 PHE 59 H -0.06 0.24 -0.34 -0.55 8.34 7.62 2zx9B1 PHE 59 HA -0.29 -0.01 0.38 -0.75 4.62 3.94 2zx9B1 PHE 59 HB2 -0.55 0.28 -0.04 -0.04 3.15 2.80 2zx9B1 PHE 59 HB3 -0.37 0.14 0.05 -0.04 3.06 2.84 2zx9B1 PHE 59 HD2 -0.10 0.10 -0.16 -0.04 7.28 7.08 2zx9B1 PHE 59 HE2 -0.60 -0.05 -0.15 -0.04 7.38 6.54 2zx9B1 PHE 59 HZ -0.17 -0.01 -0.11 -0.04 7.32 7.00 2zx9B1 PHE 60 H -0.01 0.60 -0.20 -0.55 8.34 8.18 2zx9B1 PHE 60 HA -0.03 0.11 0.61 -0.75 4.62 4.55 2zx9B1 PHE 60 HB2 -0.06 0.10 0.09 -0.04 3.15 3.24 2zx9B1 PHE 60 HB3 -0.04 -0.04 0.14 -0.04 3.06 3.08 2zx9B1 PHE 60 HD2 -0.05 0.01 0.09 -0.04 7.28 7.29 2zx9B1 PHE 60 HE2 -0.21 0.06 0.06 -0.04 7.38 7.26 2zx9B1 PHE 60 HZ -0.29 -0.09 0.02 -0.04 7.32 6.92 2zx9B1 GLN 61 H -0.17 0.37 -0.37 -0.55 8.47 7.75 2zx9B1 GLN 61 HA -0.08 0.06 0.67 -0.75 4.36 4.26 2zx9B1 GLN 61 HB2 -0.18 -0.02 0.07 -0.04 2.15 1.99 2zx9B1 GLN 61 HB3 -0.12 -0.04 0.11 -0.04 2.02 1.93 2zx9B1 GLN 61 HG2 0.02 0.11 -0.21 -0.04 2.40 2.29 2zx9B1 GLN 61 HG3 0.04 0.01 -0.34 -0.04 2.39 2.06 2zx9B1 GLN 61 HE21 -0.02 -0.00 -0.03 -0.04 6.97 6.88 2zx9B1 GLN 61 HE22 -0.00 0.00 -0.02 -0.04 7.69 7.63 2zx9B1 ASN 62 H -0.27 0.15 -0.23 -0.55 8.53 7.63 2zx9B1 ASN 62 HA -1.25 0.20 0.51 -0.75 4.76 3.47 2zx9B1 ASN 62 HB2 -0.27 0.19 0.10 -0.04 2.88 2.86 2zx9B1 ASN 62 HB3 -0.14 -0.06 0.07 -0.04 2.79 2.62 2zx9B1 ASN 62 HD21 -0.81 -0.09 0.00 -0.04 7.03 6.10 2zx9B1 ASN 62 HD22 0.13 0.12 0.04 -0.04 7.74 7.99 2zx9B1 PRO 63 HA -0.35 0.22 0.36 -0.51 4.44 4.17 2zx9B1 PRO 63 HB2 -0.21 0.05 -0.05 -0.04 2.28 2.03 2zx9B1 PRO 63 HB3 -0.37 -0.17 0.18 -0.04 2.02 1.61 2zx9B1 PRO 63 HG2 -0.93 -0.06 0.09 -0.04 2.03 1.08 2zx9B1 PRO 63 HG3 -0.77 0.19 0.11 -0.04 2.03 1.52 2zx9B1 PRO 63 HD2 -2.35 0.04 0.27 -0.04 3.68 1.61 2zx9B1 PRO 63 HD3 -0.92 0.31 0.32 -0.04 3.65 3.33 2zx9B1 TYR 64 H -0.24 0.12 -0.40 -0.55 8.29 7.21 2zx9B1 TYR 64 HA 0.02 -0.02 0.63 -0.75 4.56 4.43 2zx9B1 TYR 64 HB2 -0.05 0.07 0.11 -0.04 3.06 3.15 2zx9B1 TYR 64 HB3 0.31 -0.18 0.01 -0.04 2.98 3.08 2zx9B1 TYR 64 HD2 0.12 -0.00 -0.12 -0.04 7.15 7.12 2zx9B1 TYR 64 HE2 0.18 0.09 0.00 -0.04 6.85 7.08 2zx9B1 ALA 65 H 0.05 0.25 0.09 -0.55 8.40 8.25 2zx9B1 ALA 65 HA 0.16 0.23 0.25 -0.75 4.34 4.24 2zx9B1 ALA 65 HB3 0.04 0.02 -0.24 -0.04 1.41 1.19 2zx9B1 GLU 66 H 0.05 -0.06 -0.18 -0.55 8.60 7.86 2zx9B1 GLU 66 HA -0.71 0.07 0.33 -0.75 4.29 3.23 2zx9B1 GLU 66 HB2 -0.40 0.06 -0.22 -0.04 2.09 1.49 2zx9B1 GLU 66 HB3 -1.75 -0.02 0.04 -0.04 1.99 0.21 2zx9B1 GLU 66 HG2 -0.45 0.09 -0.05 -0.04 2.34 1.89 2zx9B1 GLU 66 HG3 -0.29 0.02 0.01 -0.04 2.34 2.03 2zx9B1 TRP 67 H 0.51 0.45 -0.62 -0.55 7.97 7.76 2zx9B1 TRP 67 HA 0.55 0.04 0.65 -0.75 4.62 5.10 2zx9B1 TRP 67 HB2 0.25 0.34 0.11 -0.04 3.23 3.89 2zx9B1 TRP 67 HB3 0.23 -0.01 0.16 -0.04 3.23 3.57 2zx9B1 TRP 67 HD1 0.45 -0.15 -0.15 -0.04 7.22 7.32 2zx9B1 TRP 67 HE1 0.69 -0.00 -0.06 -0.04 10.20 10.78 2zx9B1 TRP 67 HE3 0.28 0.01 0.04 -0.04 7.59 7.88 2zx9B1 TRP 67 HZ2 0.36 0.02 -0.04 -0.04 7.44 7.73 2zx9B1 TRP 67 HZ3 0.08 0.04 -0.00 -0.04 7.13 7.21 2zx9B1 TRP 67 HH2 0.24 0.05 -0.04 -0.04 7.19 7.41 2zx9B1 TYR 68 H 0.41 0.43 -0.54 -0.55 8.29 8.04 2zx9B1 TYR 68 HA 0.21 0.07 0.33 -0.75 4.56 4.41 2zx9B1 TYR 68 HB2 0.24 0.34 0.20 -0.04 3.06 3.80 2zx9B1 TYR 68 HB3 0.31 -0.16 0.08 -0.04 2.98 3.17 2zx9B1 TYR 68 HD2 0.38 0.10 -0.10 -0.04 7.15 7.48 2zx9B1 TYR 68 HE2 0.37 0.03 -0.05 -0.04 6.85 7.15 2zx9B1 GLU 69 H 0.08 0.09 -0.17 -0.55 8.60 8.06 2zx9B1 GLU 69 HA -0.25 0.09 0.44 -0.75 4.29 3.82 2zx9B1 GLU 69 HB2 -1.53 -0.03 0.05 -0.04 2.09 0.53 2zx9B1 GLU 69 HB3 -0.13 -0.06 0.00 -0.04 1.99 1.76 2zx9B1 GLU 69 HG2 -0.32 0.09 -0.26 -0.04 2.34 1.81 2zx9B1 GLU 69 HG3 -0.35 -0.02 0.01 -0.04 2.34 1.94 2zx9B1 ASN 70 H -0.65 0.05 -0.17 -0.55 8.53 7.21 2zx9B1 ASN 70 HA -0.78 0.08 0.43 -0.75 4.76 3.73 2zx9B1 ASN 70 HB2 -1.78 -0.10 0.11 -0.04 2.88 1.07 2zx9B1 ASN 70 HB3 0.06 0.11 0.14 -0.04 2.79 3.07 2zx9B1 ASN 70 HD21 -0.02 0.33 0.08 -0.04 7.03 7.37 2zx9B1 ASN 70 HD22 0.30 0.06 -0.09 -0.04 7.74 7.97 2zx9B1 SER 71 H -0.01 0.48 -0.12 -0.55 8.46 8.27 2zx9B1 SER 71 HA -0.02 0.13 0.43 -0.75 4.49 4.28 2zx9B1 SER 71 HB2 -0.04 0.08 0.13 -0.04 3.95 4.08 2zx9B1 SER 71 HB3 0.03 -0.15 0.01 -0.04 3.93 3.77 2zx9B1 LEU 72 H -0.20 0.83 0.00 -0.55 8.37 8.45 2zx9B1 LEU 72 HA -0.02 -0.08 0.28 -0.75 4.35 3.78 2zx9B1 LEU 72 HB2 -0.42 -0.03 0.03 -0.04 1.64 1.19 2zx9B1 LEU 72 HB3 -0.15 0.03 0.13 -0.04 1.64 1.61 2zx9B1 LEU 72 HG -0.05 0.02 -0.17 -0.04 1.64 1.40 2zx9B1 LEU 72 HD13 -0.19 -0.00 0.02 -0.04 0.93 0.72 2zx9B1 LEU 72 HD23 -0.26 -0.02 -0.01 -0.04 0.89 0.56 2zx9B1 ARG 73 H -0.15 0.45 -0.46 -0.55 8.46 7.75 2zx9B1 ARG 73 HA -0.02 -0.00 0.49 -0.75 4.34 4.05 2zx9B1 ARG 73 HB2 -0.24 0.14 0.14 -0.04 1.90 1.90 2zx9B1 ARG 73 HB3 -0.15 -0.04 0.06 -0.04 1.80 1.63 2zx9B1 ARG 73 HG2 -0.09 -0.03 0.05 -0.04 1.67 1.56 2zx9B1 ARG 73 HG3 -0.16 -0.03 -0.02 -0.04 1.67 1.43 2zx9B1 ARG 73 HD2 -0.44 -0.12 -0.16 -0.04 3.22 2.47 2zx9B1 ARG 73 HD3 -0.21 0.24 -0.17 -0.04 3.22 3.04 2zx9B1 ILE 74 H -0.04 0.43 -0.41 -0.55 8.25 7.68 2zx9B1 ILE 74 HA -0.06 0.02 0.71 -0.75 4.18 4.10 2zx9B1 ILE 74 HB -0.01 0.07 0.24 -0.04 1.89 2.15 2zx9B1 ILE 74 HG12 -0.14 -0.06 -0.09 -0.04 1.49 1.15 2zx9B1 ILE 74 HG13 -0.14 0.17 -0.00 -0.04 1.21 1.20 2zx9B1 ILE 74 HG23 0.09 0.01 -0.11 -0.04 0.93 0.88 2zx9B1 ILE 74 HD13 -0.31 0.02 -0.06 -0.04 0.88 0.49 2zx9B1 LYS 75 H -0.15 0.17 0.00 -0.55 8.42 7.89 2zx9B1 LYS 75 HA -1.00 -0.01 0.33 -0.75 4.32 2.88 2zx9B1 LYS 75 HB2 -0.29 0.06 0.12 -0.04 1.87 1.72 2zx9B1 LYS 75 HB3 -0.36 -0.00 0.04 -0.04 1.79 1.42 2zx9B1 LYS 75 HG2 -1.52 -0.07 0.04 -0.04 1.46 -0.13 2zx9B1 LYS 75 HG3 -0.59 0.02 0.04 -0.04 1.46 0.90 2zx9B1 LYS 75 HD2 -0.22 0.00 0.01 -0.04 1.69 1.45 2zx9B1 LYS 75 HD3 -0.31 0.01 -0.02 -0.04 1.68 1.32 2zx9B1 LYS 75 HE2 -0.20 -0.01 -0.01 -0.04 2.99 2.73 2zx9B1 LYS 75 HE3 -0.53 -0.01 -0.02 -0.04 2.99 2.39 2zx9B1 GLU 76 H -1.15 0.03 0.13 -0.55 8.60 7.06 2zx9B1 GLU 76 HA -0.04 -0.06 0.40 -0.75 4.29 3.83 2zx9B1 GLU 76 HB2 -0.34 -0.07 -0.50 -0.04 2.09 1.14 2zx9B1 GLU 76 HB3 -0.12 0.07 0.26 -0.04 1.99 2.17 2zx9B1 GLU 76 HG2 -0.12 -0.00 -0.00 -0.04 2.34 2.18 2zx9B1 GLU 76 HG3 -0.05 -0.01 0.02 -0.04 2.34 2.27 2zx9B1 SER 77 H 0.23 0.17 0.22 -0.55 8.46 8.54 2zx9B1 SER 77 HA 0.13 0.19 0.52 -0.75 4.49 4.57 2zx9B1 SER 77 HB2 0.16 0.09 0.27 -0.04 3.95 4.42 2zx9B1 SER 77 HB3 0.12 0.29 -0.13 -0.04 3.93 4.17 2zx9B1 PRO 78 HA 0.20 0.06 0.55 -0.51 4.44 4.74 2zx9B1 PRO 78 HB2 0.41 -0.03 0.10 -0.04 2.28 2.71 2zx9B1 PRO 78 HB3 0.42 0.04 0.08 -0.04 2.02 2.51 2zx9B1 PRO 78 HG2 0.10 0.06 0.14 -0.04 2.03 2.29 2zx9B1 PRO 78 HG3 0.13 0.03 0.08 -0.04 2.03 2.24 2zx9B1 PRO 78 HD2 0.13 0.44 0.38 -0.04 3.68 4.59 2zx9B1 PRO 78 HD3 0.12 0.14 0.21 -0.04 3.65 4.08 2zx9B1 THR 79 H 0.24 0.21 -0.20 -0.55 8.28 7.99 2zx9B1 THR 79 HA -0.23 0.04 0.22 -0.75 4.39 3.67 2zx9B1 THR 79 HB -0.01 0.08 -0.23 -0.04 4.32 4.12 2zx9B1 THR 79 HG23 -0.56 0.02 -0.09 -0.04 1.22 0.54 2zx9B1 TRP 80 H 0.25 0.19 -0.30 -0.55 7.97 7.57 2zx9B1 TRP 80 HA -0.02 0.09 0.42 -0.75 4.62 4.35 2zx9B1 TRP 80 HB2 -0.02 0.39 0.08 -0.04 3.23 3.63 2zx9B1 TRP 80 HB3 0.00 -0.21 0.21 -0.04 3.23 3.20 2zx9B1 TRP 80 HD1 -0.02 0.39 0.02 -0.04 7.22 7.57 2zx9B1 TRP 80 HE1 0.02 0.04 0.03 -0.04 10.20 10.24 2zx9B1 TRP 80 HE3 0.01 0.04 -0.18 -0.04 7.59 7.41 2zx9B1 TRP 80 HZ2 0.02 0.02 0.01 -0.04 7.44 7.46 2zx9B1 TRP 80 HZ3 0.00 0.03 -0.01 -0.04 7.13 7.11 2zx9B1 TRP 80 HH2 0.01 0.02 -0.00 -0.04 7.19 7.18 2zx9B1 GLU 81 H 0.32 0.49 -0.08 -0.55 8.60 8.78 2zx9B1 GLU 81 HA 0.09 -0.01 0.42 -0.75 4.29 4.03 2zx9B1 GLU 81 HB2 0.24 0.04 0.16 -0.04 2.09 2.49 2zx9B1 GLU 81 HB3 0.09 0.09 0.11 -0.04 1.99 2.24 2zx9B1 GLU 81 HG2 0.07 -0.03 0.03 -0.04 2.34 2.37 2zx9B1 GLU 81 HG3 0.21 -0.03 0.04 -0.04 2.34 2.53 2zx9B1 TYR 82 H -0.11 0.59 -0.09 -0.55 8.29 8.13 2zx9B1 TYR 82 HA -0.35 0.03 0.40 -0.75 4.56 3.89 2zx9B1 TYR 82 HB2 -1.17 -0.01 0.02 -0.04 3.06 1.85 2zx9B1 TYR 82 HB3 -1.01 0.07 0.08 -0.04 2.98 2.08 2zx9B1 TYR 82 HD2 -0.41 0.01 -0.13 -0.04 7.15 6.58 2zx9B1 TYR 82 HE2 0.01 0.02 -0.06 -0.04 6.85 6.78 2zx9B1 HIS 83 H -0.09 0.65 -0.16 -0.55 8.41 8.27 2zx9B1 HIS 83 HA 0.04 0.01 0.42 -0.75 4.63 4.34 2zx9B1 HIS 83 HB2 -0.00 0.02 0.10 -0.04 3.26 3.35 2zx9B1 HIS 83 HB3 -0.29 0.09 0.18 -0.04 3.20 3.14 2zx9B1 HIS 83 HD2 -0.13 0.00 -0.14 -0.04 6.97 6.67 2zx9B1 HIS 83 HE1 -0.02 -0.07 -0.09 -0.04 7.75 7.53 2zx9B1 VAL 84 H -0.51 0.61 -0.05 -0.55 8.24 7.75 2zx9B1 VAL 84 HA -0.37 -0.05 0.20 -0.75 4.13 3.15 2zx9B1 VAL 84 HB -0.62 0.10 0.17 -0.04 2.12 1.73 2zx9B1 VAL 84 HG13 -0.28 -0.03 -0.12 -0.04 0.97 0.50 2zx9B1 VAL 84 HG23 -1.73 0.04 0.03 -0.04 0.95 -0.75 2zx9B1 LYS 85 H -0.34 0.49 -0.14 -0.55 8.42 7.87 2zx9B1 LYS 85 HA -0.22 0.00 0.37 -0.75 4.32 3.72 2zx9B1 LYS 85 HB2 -0.18 -0.03 0.11 -0.04 1.87 1.72 2zx9B1 LYS 85 HB3 -0.34 0.07 0.12 -0.04 1.79 1.61 2zx9B1 LYS 85 HG2 -0.23 0.05 -0.22 -0.04 1.46 1.02 2zx9B1 LYS 85 HG3 -0.14 -0.06 0.02 -0.04 1.46 1.25 2zx9B1 LYS 85 HD2 -0.09 -0.04 -0.03 -0.04 1.69 1.49 2zx9B1 LYS 85 HD3 -0.19 0.02 -0.06 -0.04 1.68 1.40 2zx9B1 LYS 85 HE2 -0.12 0.02 -0.05 -0.04 2.99 2.80 2zx9B1 LYS 85 HE3 -0.07 -0.02 -0.02 -0.04 2.99 2.83 2zx9B1 THR 86 H -0.59 0.43 -0.22 -0.55 8.28 7.36 2zx9B1 THR 86 HA -0.51 0.08 0.67 -0.75 4.39 3.87 2zx9B1 THR 86 HB -1.04 -0.00 0.10 -0.04 4.32 3.34 2zx9B1 THR 86 HG23 -0.95 -0.03 -0.04 -0.04 1.22 0.17 2zx9B1 TYR 87 H -0.49 0.82 0.19 -0.55 8.29 8.27 2zx9B1 TYR 87 HA -0.42 0.21 1.12 -0.75 4.56 4.71 2zx9B1 TYR 87 HB2 -1.25 0.09 0.06 -0.04 3.06 1.92 2zx9B1 TYR 87 HB3 -1.80 -0.07 0.06 -0.04 2.98 1.13 2zx9B1 TYR 87 HD2 -0.56 0.02 0.01 -0.04 7.15 6.58 2zx9B1 TYR 87 HE2 0.06 -0.02 -0.06 -0.04 6.85 6.79 2zx9B1 GLY 88 H -0.32 0.30 0.14 -0.55 8.43 8.01 2zx9B1 GLY 88 HA2 -0.14 0.11 0.42 -0.51 4.01 3.89 2zx9B1 GLY 88 HA3 -0.05 0.11 0.70 -0.51 4.01 4.25 2zx9B1 GLU 89 H -0.05 0.13 0.14 -0.55 8.60 8.27 2zx9B1 GLU 89 HA -0.00 0.15 0.52 -0.75 4.29 4.21 2zx9B1 GLU 89 HB2 0.01 -0.02 0.15 -0.04 2.09 2.20 2zx9B1 GLU 89 HB3 0.07 0.02 -0.04 -0.04 1.99 2.01 2zx9B1 GLU 89 HG2 -0.04 0.04 0.05 -0.04 2.34 2.35 2zx9B1 GLU 89 HG3 -0.08 -0.01 0.05 -0.04 2.34 2.27 2zx9B1 ASN 90 H 0.04 0.10 -0.13 -0.55 8.53 7.99 2zx9B1 ASN 90 HA 0.04 0.11 0.57 -0.75 4.76 4.72 2zx9B1 ASN 90 HB2 0.02 0.04 0.11 -0.04 2.88 3.01 2zx9B1 ASN 90 HB3 0.00 0.01 0.17 -0.04 2.79 2.93 2zx9B1 ASN 90 HD21 0.02 0.00 0.00 -0.04 7.03 7.01 2zx9B1 ASN 90 HD22 0.01 0.03 0.03 -0.04 7.74 7.77 2zx9B1 PHE 91 H 0.18 0.42 -1.07 -0.55 8.34 7.32 2zx9B1 PHE 91 HA -0.05 0.10 0.72 -0.75 4.62 4.63 2zx9B1 PHE 91 HB2 -0.06 0.13 -0.28 -0.04 3.15 2.90 2zx9B1 PHE 91 HB3 -0.05 0.15 -0.09 -0.04 3.06 3.03 2zx9B1 PHE 91 HD2 -0.10 0.03 -0.18 -0.04 7.28 6.98 2zx9B1 PHE 91 HE2 -0.84 -0.05 -0.09 -0.04 7.38 6.36 2zx9B1 PHE 91 HZ -0.34 -0.04 -0.13 -0.04 7.32 6.76 2zx9B1 GLU 92 H -0.14 0.13 -0.07 -0.55 8.60 7.98 2zx9B1 GLU 92 HA 0.09 0.14 0.43 -0.75 4.29 4.20 2zx9B1 GLU 92 HB2 -0.06 -0.19 -0.04 -0.04 2.09 1.75 2zx9B1 GLU 92 HB3 0.01 0.05 0.10 -0.04 1.99 2.11 2zx9B1 GLU 92 HG2 -0.04 0.05 0.02 -0.04 2.34 2.33 2zx9B1 GLU 92 HG3 -0.05 0.04 0.01 -0.04 2.34 2.29 2zx9B1 TYR 93 H 0.19 0.20 0.16 -0.55 8.29 8.29 2zx9B1 TYR 93 HA 0.10 0.14 0.37 -0.75 4.56 4.42 2zx9B1 TYR 93 HB2 0.14 0.11 0.12 -0.04 3.06 3.38 2zx9B1 TYR 93 HB3 0.12 0.00 0.10 -0.04 2.98 3.16 2zx9B1 TYR 93 HD2 0.44 0.09 -0.11 -0.04 7.15 7.52 2zx9B1 TYR 93 HE2 0.34 0.01 -0.07 -0.04 6.85 7.09 2zx9B1 GLU 94 H 0.09 0.13 -0.21 -0.55 8.60 8.06 2zx9B1 GLU 94 HA 0.14 0.02 0.35 -0.75 4.29 4.05 2zx9B1 GLU 94 HB2 -0.04 0.05 -0.05 -0.04 2.09 2.00 2zx9B1 GLU 94 HB3 0.01 0.03 0.03 -0.04 1.99 2.02 2zx9B1 GLU 94 HG2 -0.09 0.08 0.01 -0.04 2.34 2.29 2zx9B1 GLU 94 HG3 -0.04 0.03 0.02 -0.04 2.34 2.31 2zx9B1 LYS 95 H -0.24 0.40 -0.40 -0.55 8.42 7.62 2zx9B1 LYS 95 HA -0.22 0.01 0.34 -0.75 4.32 3.70 2zx9B1 LYS 95 HB2 -0.52 -0.08 0.09 -0.04 1.87 1.31 2zx9B1 LYS 95 HB3 -0.93 0.22 -0.00 -0.04 1.79 1.04 2zx9B1 LYS 95 HG2 -1.00 0.02 -0.06 -0.04 1.46 0.37 2zx9B1 LYS 95 HG3 -0.43 -0.04 0.06 -0.04 1.46 1.01 2zx9B1 LYS 95 HD2 -1.23 -0.05 0.04 -0.04 1.69 0.41 2zx9B1 LYS 95 HD3 -0.88 0.06 0.02 -0.04 1.68 0.84 2zx9B1 LYS 95 HE2 -0.28 -0.00 0.03 -0.04 2.99 2.70 2zx9B1 LYS 95 HE3 -0.33 -0.08 0.03 -0.04 2.99 2.58 2zx9B1 PHE 96 H -0.36 0.49 -0.46 -0.55 8.34 7.45 2zx9B1 PHE 96 HA -0.06 0.06 0.40 -0.75 4.62 4.27 2zx9B1 PHE 96 HB2 -0.49 0.06 0.07 -0.04 3.15 2.75 2zx9B1 PHE 96 HB3 -0.31 -0.02 0.12 -0.04 3.06 2.81 2zx9B1 PHE 96 HD2 -0.39 -0.04 0.04 -0.04 7.28 6.85 2zx9B1 PHE 96 HE2 -0.34 -0.00 -0.04 -0.04 7.38 6.95 2zx9B1 PHE 96 HZ -1.03 0.04 -0.04 -0.04 7.32 6.25 2zx9B1 ALA 97 H -0.07 0.73 -0.09 -0.55 8.40 8.41 2zx9B1 ALA 97 HA -0.42 -0.04 0.53 -0.75 4.34 3.66 2zx9B1 ALA 97 HB3 -0.01 0.00 0.09 -0.04 1.41 1.46 2zx9B1 ASP 98 H -0.03 0.36 -0.25 -0.55 8.40 7.93 2zx9B1 ASP 98 HA -0.01 -0.01 0.60 -0.75 4.63 4.46 2zx9B1 ASP 98 HB2 -0.04 0.16 0.10 -0.04 2.71 2.89 2zx9B1 ASP 98 HB3 -0.02 0.03 0.09 -0.04 2.70 2.75 2zx9B1 LEU 99 H 0.04 0.15 -0.22 -0.55 8.37 7.80 2zx9B1 LEU 99 HA 0.06 0.15 0.68 -0.75 4.35 4.49 2zx9B1 LEU 99 HB2 0.21 0.01 0.09 -0.04 1.64 1.92 2zx9B1 LEU 99 HB3 0.16 -0.04 0.08 -0.04 1.64 1.80 2zx9B1 LEU 99 HG 0.10 0.11 -0.01 -0.04 1.64 1.80 2zx9B1 LEU 99 HD13 0.42 -0.01 -0.07 -0.04 0.93 1.23 2zx9B1 LEU 99 HD23 0.12 0.02 -0.05 -0.04 0.89 0.94 2zx9B1 PHE 100 H 0.08 0.30 -0.24 -0.55 8.34 7.92 2zx9B1 PHE 100 HA -0.15 -0.04 0.51 -0.75 4.62 4.18 2zx9B1 PHE 100 HB2 -0.34 0.00 0.15 -0.04 3.15 2.92 2zx9B1 PHE 100 HB3 -0.36 0.11 0.23 -0.04 3.06 3.00 2zx9B1 PHE 100 HD2 -0.45 -0.01 0.01 -0.04 7.28 6.78 2zx9B1 PHE 100 HE2 -0.62 0.03 -0.06 -0.04 7.38 6.68 2zx9B1 PHE 100 HZ -2.67 -0.01 -0.15 -0.04 7.32 4.44 2zx9B1 THR 101 H -0.01 0.28 0.15 -0.55 8.28 8.15 2zx9B1 THR 101 HA -0.27 0.32 0.55 -0.75 4.39 4.23 2zx9B1 THR 101 HB -0.05 0.04 0.04 -0.04 4.32 4.31 2zx9B1 THR 101 HG23 -0.04 0.05 -0.20 -0.04 1.22 0.99 2zx9B1 ALA 102 H -0.17 0.29 -0.04 -0.55 8.40 7.94 2zx9B1 ALA 102 HA 0.19 -0.10 0.04 -0.75 4.34 3.71 2zx9B1 ALA 102 HB3 -0.22 0.04 -0.09 -0.04 1.41 1.10 2zx9B1 GLU 103 H 0.04 -0.09 -0.57 -0.55 8.60 7.44 2zx9B1 GLU 103 HA 0.04 0.16 0.34 -0.75 4.29 4.08 2zx9B1 GLU 103 HB2 0.04 0.02 0.04 -0.04 2.09 2.15 2zx9B1 GLU 103 HB3 0.07 -0.15 0.08 -0.04 1.99 1.96 2zx9B1 GLU 103 HG2 0.04 -0.05 -0.03 -0.04 2.34 2.27 2zx9B1 GLU 103 HG3 0.05 0.03 -0.23 -0.04 2.34 2.15 2zx9B1 LYS 104 H 0.14 0.16 -0.14 -0.55 8.42 8.02 2zx9B1 LYS 104 HA 0.07 0.22 0.79 -0.75 4.32 4.65 2zx9B1 LYS 104 HB2 0.11 -0.11 0.02 -0.04 1.87 1.85 2zx9B1 LYS 104 HB3 0.11 -0.08 0.02 -0.04 1.79 1.80 2zx9B1 LYS 104 HG2 0.05 -0.04 0.00 -0.04 1.46 1.43 2zx9B1 LYS 104 HG3 0.05 0.11 -0.03 -0.04 1.46 1.55 2zx9B1 LYS 104 HD2 0.06 -0.02 -0.10 -0.04 1.69 1.59 2zx9B1 LYS 104 HD3 0.07 -0.08 -0.04 -0.04 1.68 1.59 2zx9B1 LYS 104 HE2 0.04 -0.01 -0.03 -0.04 2.99 2.95 2zx9B1 LYS 104 HE3 0.04 0.05 -0.05 -0.04 2.99 2.98 2zx9B1 TRP 105 H 0.27 0.66 -0.31 -0.55 7.97 8.05 2zx9B1 TRP 105 HA -0.18 0.01 0.48 -0.75 4.62 4.19 2zx9B1 TRP 105 HB2 0.10 -0.07 0.04 -0.04 3.23 3.26 2zx9B1 TRP 105 HB3 -0.05 0.12 0.06 -0.04 3.23 3.32 2zx9B1 TRP 105 HD1 -1.08 0.18 0.05 -0.04 7.22 6.33 2zx9B1 TRP 105 HE1 -4.42 -0.02 -0.09 -0.04 10.20 5.63 2zx9B1 TRP 105 HE3 -0.06 0.12 -0.11 -0.04 7.59 7.50 2zx9B1 TRP 105 HZ2 -0.26 0.00 -0.04 -0.04 7.44 7.09 2zx9B1 TRP 105 HZ3 -0.03 0.00 -0.12 -0.04 7.13 6.95 2zx9B1 TRP 105 HH2 -0.01 0.04 -0.05 -0.04 7.19 7.13 2zx9B1 ASP 106 H -0.89 0.16 0.05 -0.55 8.40 7.18 2zx9B1 ASP 106 HA -0.60 0.23 0.74 -0.75 4.63 4.24 2zx9B1 ASP 106 HB2 -0.23 0.19 -0.15 -0.04 2.71 2.49 2zx9B1 ASP 106 HB3 -0.29 -0.05 0.15 -0.04 2.70 2.47 2zx9B1 PRO 107 HA -1.09 0.03 0.40 -0.51 4.44 3.26 2zx9B1 PRO 107 HB2 -0.39 0.09 0.02 -0.04 2.28 1.96 2zx9B1 PRO 107 HB3 -1.19 0.02 -0.02 -0.04 2.02 0.78 2zx9B1 PRO 107 HG2 -0.49 0.02 0.05 -0.04 2.03 1.57 2zx9B1 PRO 107 HG3 -0.59 0.08 -0.03 -0.04 2.03 1.44 2zx9B1 PRO 107 HD2 -0.77 0.17 0.15 -0.04 3.68 3.19 2zx9B1 PRO 107 HD3 -2.26 0.17 -0.00 -0.04 3.65 1.52 2zx9B1 GLN 108 H -0.40 0.12 -0.35 -0.55 8.47 7.30 2zx9B1 GLN 108 HA -0.16 0.12 0.46 -0.75 4.36 4.03 2zx9B1 GLN 108 HB2 -0.19 -0.02 0.06 -0.04 2.15 1.96 2zx9B1 GLN 108 HB3 -0.13 0.06 -0.05 -0.04 2.02 1.87 2zx9B1 GLN 108 HG2 -0.10 0.08 0.01 -0.04 2.40 2.35 2zx9B1 GLN 108 HG3 -0.16 -0.04 -0.01 -0.04 2.39 2.13 2zx9B1 GLN 108 HE21 -0.07 0.01 -0.02 -0.04 6.97 6.85 2zx9B1 GLN 108 HE22 -0.08 0.03 -0.02 -0.04 7.69 7.58 2zx9B1 GLU 109 H -0.24 0.22 -0.05 -0.55 8.60 7.98 2zx9B1 GLU 109 HA -0.10 0.10 0.49 -0.75 4.29 4.03 2zx9B1 GLU 109 HB2 -0.04 0.04 0.01 -0.04 2.09 2.07 2zx9B1 GLU 109 HB3 -0.04 0.00 0.07 -0.04 1.99 1.98 2zx9B1 GLU 109 HG2 -0.11 -0.01 0.04 -0.04 2.34 2.22 2zx9B1 GLU 109 HG3 -0.19 -0.00 0.12 -0.04 2.34 2.22 2zx9B1 TRP 110 H -0.10 0.30 -0.28 -0.55 7.97 7.35 2zx9B1 TRP 110 HA -0.58 0.02 0.42 -0.75 4.62 3.73 2zx9B1 TRP 110 HB2 -0.31 0.15 0.14 -0.04 3.23 3.17 2zx9B1 TRP 110 HB3 -0.47 0.01 -0.09 -0.04 3.23 2.64 2zx9B1 TRP 110 HD1 -0.19 -0.05 -0.09 -0.04 7.22 6.85 2zx9B1 TRP 110 HE1 -0.01 0.21 0.03 -0.04 10.20 10.38 2zx9B1 TRP 110 HE3 0.35 0.04 -0.07 -0.04 7.59 7.87 2zx9B1 TRP 110 HZ2 -0.63 -0.01 -0.14 -0.04 7.44 6.62 2zx9B1 TRP 110 HZ3 0.02 -0.02 -0.09 -0.04 7.13 7.01 2zx9B1 TRP 110 HH2 -2.33 -0.05 -0.10 -0.04 7.19 4.67 2zx9B1 ALA 111 H -0.12 0.52 -0.03 -0.55 8.40 8.22 2zx9B1 ALA 111 HA -0.06 0.02 0.35 -0.75 4.34 3.90 2zx9B1 ALA 111 HB3 -0.02 0.04 -0.05 -0.04 1.41 1.33 2zx9B1 ASP 112 H -0.13 0.57 -0.20 -0.55 8.40 8.10 2zx9B1 ASP 112 HA -0.05 0.08 0.38 -0.75 4.63 4.29 2zx9B1 ASP 112 HB2 -0.07 0.05 0.12 -0.04 2.71 2.77 2zx9B1 ASP 112 HB3 -0.09 0.03 0.16 -0.04 2.70 2.76 2zx9B1 LEU 113 H -0.21 0.44 -0.31 -0.55 8.37 7.75 2zx9B1 LEU 113 HA -0.03 0.02 0.50 -0.75 4.35 4.09 2zx9B1 LEU 113 HB2 -0.09 -0.01 0.12 -0.04 1.64 1.61 2zx9B1 LEU 113 HB3 -0.35 0.13 0.23 -0.04 1.64 1.61 2zx9B1 LEU 113 HG 0.08 0.03 -0.28 -0.04 1.64 1.43 2zx9B1 LEU 113 HD13 0.02 -0.02 0.01 -0.04 0.93 0.90 2zx9B1 LEU 113 HD23 -0.06 -0.04 -0.03 -0.04 0.89 0.72 2zx9B1 PHE 114 H -0.42 0.63 -0.03 -0.55 8.34 7.96 2zx9B1 PHE 114 HA -0.05 -0.03 0.31 -0.75 4.62 4.09 2zx9B1 PHE 114 HB2 -0.03 0.12 -0.01 -0.04 3.15 3.18 2zx9B1 PHE 114 HB3 -0.13 -0.06 0.01 -0.04 3.06 2.84 2zx9B1 PHE 114 HD2 -0.03 -0.01 -0.14 -0.04 7.28 7.06 2zx9B1 PHE 114 HE2 -0.08 -0.06 -0.13 -0.04 7.38 7.06 2zx9B1 PHE 114 HZ -0.76 -0.08 -0.11 -0.04 7.32 6.33 2zx9B1 LYS 115 H 0.05 0.47 -0.33 -0.55 8.42 8.06 2zx9B1 LYS 115 HA 0.06 0.21 0.61 -0.75 4.32 4.44 2zx9B1 LYS 115 HB2 0.03 0.03 0.07 -0.04 1.87 1.96 2zx9B1 LYS 115 HB3 0.01 0.08 0.15 -0.04 1.79 2.00 2zx9B1 LYS 115 HG2 0.02 -0.05 -0.20 -0.04 1.46 1.19 2zx9B1 LYS 115 HG3 0.02 0.05 0.05 -0.04 1.46 1.53 2zx9B1 LYS 115 HD2 0.00 0.04 0.04 -0.04 1.69 1.73 2zx9B1 LYS 115 HD3 -0.00 -0.08 -0.00 -0.04 1.68 1.55 2zx9B1 LYS 115 HE2 -0.00 -0.09 -0.01 -0.04 2.99 2.84 2zx9B1 LYS 115 HE3 -0.00 0.04 0.02 -0.04 2.99 3.01 2zx9B1 LYS 116 H 0.04 0.44 -0.05 -0.55 8.42 8.29 2zx9B1 LYS 116 HA 0.05 0.06 0.41 -0.75 4.32 4.09 2zx9B1 LYS 116 HB2 0.03 0.03 0.17 -0.04 1.87 2.06 2zx9B1 LYS 116 HB3 0.05 -0.07 -0.01 -0.04 1.79 1.71 2zx9B1 LYS 116 HG2 0.02 -0.04 0.05 -0.04 1.46 1.45 2zx9B1 LYS 116 HG3 0.01 0.05 0.06 -0.04 1.46 1.54 2zx9B1 LYS 116 HD2 -0.01 0.03 -0.07 -0.04 1.69 1.60 2zx9B1 LYS 116 HD3 0.01 -0.07 -0.01 -0.04 1.68 1.57 2zx9B1 LYS 116 HE2 -0.00 -0.07 -0.02 -0.04 2.99 2.86 2zx9B1 LYS 116 HE3 0.00 0.00 -0.01 -0.04 2.99 2.95 2zx9B1 ALA 117 H 0.13 0.32 -0.48 -0.55 8.40 7.82 2zx9B1 ALA 117 HA 0.16 0.02 0.50 -0.75 4.34 4.27 2zx9B1 ALA 117 HB3 0.22 -0.03 0.01 -0.04 1.41 1.57 2zx9B1 GLY 118 H 0.16 0.40 -0.53 -0.55 8.43 7.91 2zx9B1 GLY 118 HA2 0.23 0.08 0.28 -0.51 4.01 4.09 2zx9B1 GLY 118 HA3 0.39 0.06 0.63 -0.51 4.01 4.58 2zx9B1 ALA 119 H 0.01 0.41 -0.02 -0.55 8.40 8.25 2zx9B1 ALA 119 HA -0.77 0.05 0.40 -0.75 4.34 3.27 2zx9B1 ALA 119 HB3 -0.71 -0.05 -0.03 -0.04 1.41 0.58 2zx9B1 LYS 120 H -0.13 0.74 0.47 -0.55 8.42 8.94 2zx9B1 LYS 120 HA 0.03 0.27 1.00 -0.75 4.32 4.87 2zx9B1 LYS 120 HB2 0.27 -0.02 0.20 -0.04 1.87 2.27 2zx9B1 LYS 120 HB3 0.14 -0.02 0.20 -0.04 1.79 2.07 2zx9B1 LYS 120 HG2 0.13 0.11 -0.10 -0.04 1.46 1.55 2zx9B1 LYS 120 HG3 0.05 -0.08 0.12 -0.04 1.46 1.52 2zx9B1 LYS 120 HD2 -0.04 -0.03 0.07 -0.04 1.69 1.64 2zx9B1 LYS 120 HD3 -0.06 0.15 -0.09 -0.04 1.68 1.64 2zx9B1 LYS 120 HE2 -0.90 0.00 0.01 -0.04 2.99 2.06 2zx9B1 LYS 120 HE3 -0.33 -0.04 0.01 -0.04 2.99 2.59 2zx9B1 TYR 121 H -0.17 0.20 0.24 -0.55 8.29 8.01 2zx9B1 TYR 121 HA 0.00 0.26 0.71 -0.75 4.56 4.77 2zx9B1 TYR 121 HB2 0.10 -0.05 -0.14 -0.04 3.06 2.94 2zx9B1 TYR 121 HB3 0.09 0.13 -0.22 -0.04 2.98 2.93 2zx9B1 TYR 121 HD2 0.12 -0.03 -0.31 -0.04 7.15 6.88 2zx9B1 TYR 121 HE2 -0.04 0.01 -0.38 -0.04 6.85 6.40 2zx9B1 VAL 122 H 0.17 0.52 0.21 -0.55 8.24 8.58 2zx9B1 VAL 122 HA -0.16 0.27 0.96 -0.75 4.13 4.44 2zx9B1 VAL 122 HB 0.26 0.04 0.06 -0.04 2.12 2.45 2zx9B1 VAL 122 HG13 0.12 -0.02 -0.17 -0.04 0.97 0.85 2zx9B1 VAL 122 HG23 0.15 -0.01 -0.27 -0.04 0.95 0.78 2zx9B1 ILE 123 H -0.08 0.66 0.23 -0.55 8.25 8.52 2zx9B1 ILE 123 HA -0.21 0.43 0.88 -0.75 4.18 4.53 2zx9B1 ILE 123 HB -0.12 -0.07 -0.02 -0.04 1.89 1.64 2zx9B1 ILE 123 HG12 0.11 -0.06 -0.28 -0.04 1.49 1.22 2zx9B1 ILE 123 HG13 0.13 -0.10 -0.81 -0.04 1.21 0.39 2zx9B1 ILE 123 HG23 0.10 -0.02 -0.61 -0.04 0.93 0.35 2zx9B1 ILE 123 HD13 0.23 0.01 -0.29 -0.04 0.88 0.78 2zx9B1 PRO 124 HA 0.12 0.08 0.74 -0.51 4.44 4.87 2zx9B1 PRO 124 HB2 0.33 0.07 -0.03 -0.04 2.28 2.61 2zx9B1 PRO 124 HB3 0.36 0.01 0.02 -0.04 2.02 2.38 2zx9B1 PRO 124 HG2 0.21 -0.07 -0.02 -0.04 2.03 2.11 2zx9B1 PRO 124 HG3 0.44 0.07 0.01 -0.04 2.03 2.51 2zx9B1 PRO 124 HD2 -0.35 0.50 0.33 -0.04 3.68 4.12 2zx9B1 PRO 124 HD3 -0.07 0.15 -0.01 -0.04 3.65 3.69 2zx9B1 THR 125 H -0.01 0.52 0.35 -0.55 8.28 8.59 2zx9B1 THR 125 HA 0.19 0.02 0.49 -0.75 4.39 4.34 2zx9B1 THR 125 HB 0.01 -0.09 -0.10 -0.04 4.32 4.10 2zx9B1 THR 125 HG23 -1.34 0.02 -0.02 -0.04 1.22 -0.16 2zx9B1 THR 126 H 0.38 0.73 0.38 -0.55 8.28 9.23 2zx9B1 THR 126 HA 0.36 0.11 0.81 -0.75 4.39 4.91 2zx9B1 THR 126 HB 0.32 -0.12 0.11 -0.04 4.32 4.58 2zx9B1 THR 126 HG23 0.15 0.03 0.07 -0.04 1.22 1.43 2zx9B1 LYS 127 H 0.36 0.17 0.05 -0.55 8.42 8.45 2zx9B1 LYS 127 HA 0.22 0.35 0.57 -0.75 4.32 4.70 2zx9B1 LYS 127 HB2 0.40 0.06 -0.08 -0.04 1.87 2.21 2zx9B1 LYS 127 HB3 -0.13 -0.10 0.07 -0.04 1.79 1.59 2zx9B1 LYS 127 HG2 0.03 0.09 -0.19 -0.04 1.46 1.36 2zx9B1 LYS 127 HG3 0.11 0.07 -0.39 -0.04 1.46 1.21 2zx9B1 LYS 127 HD2 0.21 0.01 -0.03 -0.04 1.69 1.84 2zx9B1 LYS 127 HD3 0.10 -0.02 -0.08 -0.04 1.68 1.63 2zx9B1 LYS 127 HE2 -0.88 -0.21 -0.10 -0.04 2.99 1.77 2zx9B1 LYS 127 HE3 -0.17 0.05 -0.05 -0.04 2.99 2.79 2zx9B1 HIS 128 H 0.24 0.19 0.11 -0.55 8.41 8.41 2zx9B1 HIS 128 HA 0.04 0.25 0.89 -0.75 4.63 5.06 2zx9B1 HIS 128 HB2 0.05 0.08 0.01 -0.04 3.26 3.37 2zx9B1 HIS 128 HB3 -0.03 -0.10 0.08 -0.04 3.20 3.11 2zx9B1 HIS 128 HD2 -0.78 0.06 -0.07 -0.04 6.97 6.14 2zx9B1 HIS 128 HE1 -0.43 0.05 -0.08 -0.04 7.75 7.25 2zx9B1 HIS 129 H -1.07 0.16 0.12 -0.55 8.41 7.08 2zx9B1 HIS 129 HA -0.74 0.32 0.20 -0.75 4.63 3.65 2zx9B1 HIS 129 HB2 -2.24 -0.01 0.00 -0.04 3.26 0.98 2zx9B1 HIS 129 HB3 -2.35 0.04 0.00 -0.04 3.20 0.85 2zx9B1 HIS 129 HD2 -1.14 0.01 -0.04 -0.04 6.97 5.75 2zx9B1 HIS 129 HE1 -0.08 0.02 -0.08 -0.04 7.75 7.56 2zx9B1 ASP 130 H -0.12 -0.00 -0.45 -0.55 8.40 7.28 2zx9B1 ASP 130 HA 0.20 0.12 0.51 -0.75 4.63 4.70 2zx9B1 ASP 130 HB2 0.59 0.08 0.08 -0.04 2.71 3.42 2zx9B1 ASP 130 HB3 0.38 0.00 0.04 -0.04 2.70 3.08 2zx9B1 GLY 131 H 0.07 0.72 -0.20 -0.55 8.43 8.47 2zx9B1 GLY 131 HA2 0.20 0.12 0.29 -0.51 4.01 4.11 2zx9B1 GLY 131 HA3 0.32 0.04 0.40 -0.51 4.01 4.26 2zx9B1 PHE 132 H 0.42 -0.12 -0.46 -0.55 8.34 7.62 2zx9B1 PHE 132 HA -0.42 0.31 0.67 -0.75 4.62 4.43 2zx9B1 PHE 132 HB2 -0.35 0.04 0.01 -0.04 3.15 2.81 2zx9B1 PHE 132 HB3 -0.09 -0.19 0.08 -0.04 3.06 2.81 2zx9B1 PHE 132 HD2 -1.40 -0.04 -0.15 -0.04 7.28 5.64 2zx9B1 PHE 132 HE2 -0.21 0.04 -0.19 -0.04 7.38 6.98 2zx9B1 PHE 132 HZ -0.16 0.12 -0.34 -0.04 7.32 6.90 2zx9B1 CYS 133 H -0.84 0.60 0.46 -0.55 8.50 8.17 2zx9B1 CYS 133 HA -0.06 0.35 1.16 -0.75 4.58 5.28 2zx9B1 CYS 133 HB2 -0.67 -0.02 0.29 -0.04 2.97 2.53 2zx9B1 CYS 133 HB3 -1.13 -0.06 0.15 -0.04 2.97 1.89 2zx9B1 LEU 134 H 0.26 0.84 0.39 -0.55 8.37 9.30 2zx9B1 LEU 134 HA -0.01 0.05 0.67 -0.75 4.35 4.32 2zx9B1 LEU 134 HB2 0.30 0.06 0.26 -0.04 1.64 2.22 2zx9B1 LEU 134 HB3 0.16 -0.11 0.28 -0.04 1.64 1.93 2zx9B1 LEU 134 HG 0.24 0.34 0.14 -0.04 1.64 2.32 2zx9B1 LEU 134 HD13 0.13 0.01 -0.03 -0.04 0.93 1.00 2zx9B1 LEU 134 HD23 0.20 0.01 -0.10 -0.04 0.89 0.97 2zx9B1 TRP 135 H 0.04 0.23 -0.30 -0.55 7.97 7.40 2zx9B1 TRP 135 HA 0.06 0.06 0.79 -0.75 4.62 4.77 2zx9B1 TRP 135 HB2 0.26 0.05 0.06 -0.04 3.23 3.55 2zx9B1 TRP 135 HB3 0.15 0.02 -0.10 -0.04 3.23 3.26 2zx9B1 TRP 135 HD1 0.15 0.10 -0.44 -0.04 7.22 6.98 2zx9B1 TRP 135 HE1 0.11 0.02 -0.12 -0.04 10.20 10.17 2zx9B1 TRP 135 HE3 0.13 -0.09 0.02 -0.04 7.59 7.61 2zx9B1 TRP 135 HZ2 0.13 0.04 0.02 -0.04 7.44 7.58 2zx9B1 TRP 135 HZ3 0.25 0.02 -0.23 -0.04 7.13 7.13 2zx9B1 TRP 135 HH2 0.36 0.01 -0.09 -0.04 7.19 7.43 2zx9B1 GLY 136 H 0.29 0.17 0.05 -0.55 8.43 8.40 2zx9B1 GLY 136 HA2 -0.09 0.02 0.47 -0.51 4.01 3.90 2zx9B1 GLY 136 HA3 0.06 0.08 0.37 -0.51 4.01 4.00 2zx9B1 THR 137 H -0.76 0.52 0.08 -0.55 8.28 7.57 2zx9B1 THR 137 HA 0.01 0.08 0.31 -0.75 4.39 4.04 2zx9B1 THR 137 HB -1.75 0.02 0.06 -0.04 4.32 2.60 2zx9B1 THR 137 HG23 -0.50 0.03 0.02 -0.04 1.22 0.73 2zx9B1 LYS 138 H -0.29 0.14 0.15 -0.55 8.42 7.87 2zx9B1 LYS 138 HA -0.16 0.31 0.96 -0.75 4.32 4.68 2zx9B1 LYS 138 HB2 -0.27 0.00 0.17 -0.04 1.87 1.73 2zx9B1 LYS 138 HB3 -0.16 0.07 0.05 -0.04 1.79 1.72 2zx9B1 LYS 138 HG2 -0.25 -0.02 0.08 -0.04 1.46 1.23 2zx9B1 LYS 138 HG3 -0.95 -0.01 0.00 -0.04 1.46 0.46 2zx9B1 LYS 138 HD2 -0.14 -0.01 0.00 -0.04 1.69 1.50 2zx9B1 LYS 138 HD3 -0.09 0.03 0.00 -0.04 1.68 1.58 2zx9B1 LYS 138 HE2 -0.03 -0.01 -0.02 -0.04 2.99 2.88 2zx9B1 LYS 138 HE3 -0.01 0.02 -0.02 -0.04 2.99 2.94 2zx9B1 TYR 139 H -0.05 0.03 -0.21 -0.55 8.29 7.50 2zx9B1 TYR 139 HA 0.14 0.24 0.69 -0.75 4.56 4.88 2zx9B1 TYR 139 HB2 0.18 -0.01 -0.01 -0.04 3.06 3.18 2zx9B1 TYR 139 HB3 0.39 0.01 0.09 -0.04 2.98 3.44 2zx9B1 TYR 139 HD2 0.12 0.03 -0.11 -0.04 7.15 7.15 2zx9B1 TYR 139 HE2 0.09 0.08 -0.09 -0.04 6.85 6.89 2zx9B1 THR 140 H 0.05 0.26 -0.27 -0.55 8.28 7.78 2zx9B1 THR 140 HA 0.09 0.10 0.38 -0.75 4.39 4.21 2zx9B1 THR 140 HB 0.27 0.21 -0.02 -0.04 4.32 4.74 2zx9B1 THR 140 HG23 0.10 -0.00 -0.15 -0.04 1.22 1.13 2zx9B1 ASP 141 H 0.05 0.19 0.09 -0.55 8.40 8.18 2zx9B1 ASP 141 HA -0.01 0.21 0.71 -0.75 4.63 4.79 2zx9B1 ASP 141 HB2 0.04 -0.01 0.07 -0.04 2.71 2.77 2zx9B1 ASP 141 HB3 0.04 0.04 0.12 -0.04 2.70 2.85 2zx9B1 PHE 142 H 0.16 0.05 -0.24 -0.55 8.34 7.76 2zx9B1 PHE 142 HA 0.06 0.16 0.65 -0.75 4.62 4.73 2zx9B1 PHE 142 HB2 0.03 -0.00 0.09 -0.04 3.15 3.23 2zx9B1 PHE 142 HB3 0.02 0.06 0.21 -0.04 3.06 3.30 2zx9B1 PHE 142 HD2 0.16 0.12 -0.09 -0.04 7.28 7.43 2zx9B1 PHE 142 HE2 0.23 0.07 -0.04 -0.04 7.38 7.59 2zx9B1 PHE 142 HZ 0.20 -0.06 -0.01 -0.04 7.32 7.41 2zx9B1 ASN 143 H -0.16 0.47 -0.18 -0.55 8.53 8.11 2zx9B1 ASN 143 HA -1.07 0.15 0.99 -0.75 4.76 4.08 2zx9B1 ASN 143 HB2 -0.49 0.16 0.25 -0.04 2.88 2.76 2zx9B1 ASN 143 HB3 -0.42 0.02 -0.17 -0.04 2.79 2.18 2zx9B1 ASN 143 HD21 -0.12 0.02 0.06 -0.04 7.03 6.95 2zx9B1 ASN 143 HD22 -0.19 0.37 0.07 -0.04 7.74 7.95 2zx9B1 SER 144 H -0.44 0.63 0.36 -0.55 8.46 8.47 2zx9B1 SER 144 HA 0.12 0.11 0.30 -0.75 4.49 4.27 2zx9B1 SER 144 HB2 -0.11 0.07 0.14 -0.04 3.95 4.00 2zx9B1 SER 144 HB3 0.00 -0.05 0.14 -0.04 3.93 3.98 2zx9B1 VAL 145 H -0.11 0.02 -0.43 -0.55 8.24 7.17 2zx9B1 VAL 145 HA -0.02 0.03 0.33 -0.75 4.13 3.71 2zx9B1 VAL 145 HB -0.05 -0.02 -0.02 -0.04 2.12 1.98 2zx9B1 VAL 145 HG13 -0.00 0.04 -0.18 -0.04 0.97 0.79 2zx9B1 VAL 145 HG23 0.03 -0.03 -0.21 -0.04 0.95 0.70 2zx9B1 LYS 146 H -0.06 0.02 -0.09 -0.55 8.42 7.73 2zx9B1 LYS 146 HA -0.01 0.12 0.55 -0.75 4.32 4.23 2zx9B1 LYS 146 HB2 -0.01 0.09 0.17 -0.04 1.87 2.08 2zx9B1 LYS 146 HB3 0.01 -0.02 0.06 -0.04 1.79 1.81 2zx9B1 LYS 146 HG2 -0.04 -0.10 0.03 -0.04 1.46 1.31 2zx9B1 LYS 146 HG3 -0.02 -0.04 0.11 -0.04 1.46 1.47 2zx9B1 LYS 146 HD2 -0.00 -0.02 0.02 -0.04 1.69 1.65 2zx9B1 LYS 146 HD3 -0.01 0.07 0.00 -0.04 1.68 1.70 2zx9B1 LYS 146 HE2 -0.01 0.02 -0.05 -0.04 2.99 2.91 2zx9B1 LYS 146 HE3 -0.03 -0.03 -0.06 -0.04 2.99 2.83 2zx9B1 ARG 147 H 0.03 0.26 0.00 -0.55 8.46 8.19 2zx9B1 ARG 147 HA 0.04 0.20 0.78 -0.75 4.34 4.61 2zx9B1 ARG 147 HB2 0.26 -0.02 -0.05 -0.04 1.90 2.06 2zx9B1 ARG 147 HB3 0.10 -0.10 -0.03 -0.04 1.80 1.72 2zx9B1 ARG 147 HG2 0.13 0.05 -0.03 -0.04 1.67 1.78 2zx9B1 ARG 147 HG3 0.29 -0.12 0.01 -0.04 1.67 1.81 2zx9B1 ARG 147 HD2 0.07 0.17 -0.09 -0.04 3.22 3.32 2zx9B1 ARG 147 HD3 0.12 -0.01 -0.07 -0.04 3.22 3.23 2zx9B1 GLY 148 H -0.01 0.05 -0.00 -0.55 8.43 7.93 2zx9B1 GLY 148 HA2 -0.08 -0.03 0.23 -0.51 4.01 3.62 2zx9B1 GLY 148 HA3 -0.14 0.12 0.38 -0.51 4.01 3.86 2zx9B1 PRO 149 HA -0.25 0.11 0.35 -0.51 4.44 4.14 2zx9B1 PRO 149 HB2 -0.28 -0.01 -0.05 -0.04 2.28 1.90 2zx9B1 PRO 149 HB3 -0.44 -0.04 -0.05 -0.04 2.02 1.44 2zx9B1 PRO 149 HG2 -0.76 -0.17 0.05 -0.04 2.03 1.10 2zx9B1 PRO 149 HG3 -1.43 0.02 -0.01 -0.04 2.03 0.58 2zx9B1 PRO 149 HD2 -0.15 0.08 0.13 -0.04 3.68 3.70 2zx9B1 PRO 149 HD3 -0.42 0.05 0.22 -0.04 3.65 3.45 2zx9B1 LYS 150 H -0.09 0.50 -0.24 -0.55 8.42 8.04 2zx9B1 LYS 150 HA -0.03 0.27 0.26 -0.75 4.32 4.07 2zx9B1 LYS 150 HB2 -0.03 0.12 -0.04 -0.04 1.87 1.87 2zx9B1 LYS 150 HB3 -0.02 -0.13 0.21 -0.04 1.79 1.81 2zx9B1 LYS 150 HG2 -0.04 0.20 -0.24 -0.04 1.46 1.34 2zx9B1 LYS 150 HG3 -0.02 -0.14 -0.05 -0.04 1.46 1.21 2zx9B1 LYS 150 HD2 -0.02 0.10 0.03 -0.04 1.69 1.76 2zx9B1 LYS 150 HD3 -0.02 0.15 -0.44 -0.04 1.68 1.33 2zx9B1 LYS 150 HE2 -0.00 0.20 -0.03 -0.04 2.99 3.11 2zx9B1 LYS 150 HE3 -0.01 -0.08 -0.11 -0.04 2.99 2.74 2zx9B1 ARG 151 H -0.06 0.45 -0.13 -0.55 8.46 8.17 2zx9B1 ARG 151 HA 0.03 0.03 0.56 -0.75 4.34 4.21 2zx9B1 ARG 151 HB2 0.02 0.35 -0.37 -0.04 1.90 1.87 2zx9B1 ARG 151 HB3 -0.04 -0.04 -0.36 -0.04 1.80 1.31 2zx9B1 ARG 151 HG2 0.14 -0.16 -0.45 -0.04 1.67 1.16 2zx9B1 ARG 151 HG3 0.11 -0.04 -0.02 -0.04 1.67 1.69 2zx9B1 ARG 151 HD2 0.14 0.15 -0.07 -0.04 3.22 3.40 2zx9B1 ARG 151 HD3 0.25 -0.04 -0.15 -0.04 3.22 3.23 2zx9B1 ASP 152 H 0.08 0.24 0.04 -0.55 8.40 8.22 2zx9B1 ASP 152 HA 0.12 0.01 0.55 -0.75 4.63 4.55 2zx9B1 ASP 152 HB2 0.15 0.05 0.13 -0.04 2.71 3.00 2zx9B1 ASP 152 HB3 0.14 0.09 0.22 -0.04 2.70 3.11 2zx9B1 LEU 153 H 0.02 0.38 0.13 -0.55 8.37 8.35 2zx9B1 LEU 153 HA 0.02 0.05 0.27 -0.75 4.35 3.93 2zx9B1 LEU 153 HB2 0.04 0.03 0.22 -0.04 1.64 1.89 2zx9B1 LEU 153 HB3 -0.10 -0.02 0.03 -0.04 1.64 1.51 2zx9B1 LEU 153 HG -0.20 0.12 0.08 -0.04 1.64 1.59 2zx9B1 LEU 153 HD13 -0.76 -0.01 -0.02 -0.04 0.93 0.10 2zx9B1 LEU 153 HD23 -0.58 -0.00 -0.15 -0.04 0.89 0.12 2zx9B1 VAL 154 H 0.19 0.62 0.12 -0.55 8.24 8.61 2zx9B1 VAL 154 HA 0.24 0.07 0.30 -0.75 4.13 3.99 2zx9B1 VAL 154 HB 0.09 -0.12 0.04 -0.04 2.12 2.09 2zx9B1 VAL 154 HG13 -0.39 0.03 -0.18 -0.04 0.97 0.40 2zx9B1 VAL 154 HG23 0.29 0.03 -0.05 -0.04 0.95 1.17 2zx9B1 GLY 155 H 0.02 0.02 -0.19 -0.55 8.43 7.74 2zx9B1 GLY 155 HA2 -0.31 0.14 0.39 -0.51 4.01 3.72 2zx9B1 GLY 155 HA3 0.12 0.05 0.28 -0.51 4.01 3.95 2zx9B1 ASP 156 H 0.15 0.60 0.01 -0.55 8.40 8.61 2zx9B1 ASP 156 HA 0.05 0.06 0.51 -0.75 4.63 4.49 2zx9B1 ASP 156 HB2 0.41 0.10 0.08 -0.04 2.71 3.26 2zx9B1 ASP 156 HB3 0.13 -0.05 0.01 -0.04 2.70 2.75 2zx9B1 LEU 157 H 0.26 0.63 -0.19 -0.55 8.37 8.52 2zx9B1 LEU 157 HA 0.13 0.00 0.64 -0.75 4.35 4.37 2zx9B1 LEU 157 HB2 0.72 -0.06 0.07 -0.04 1.64 2.33 2zx9B1 LEU 157 HB3 0.45 0.15 0.08 -0.04 1.64 2.28 2zx9B1 LEU 157 HG 0.48 0.02 -0.10 -0.04 1.64 1.99 2zx9B1 LEU 157 HD13 0.55 -0.02 0.04 -0.04 0.93 1.45 2zx9B1 LEU 157 HD23 0.70 -0.00 -0.09 -0.04 0.89 1.46 2zx9B1 ALA 158 H -0.25 0.34 -0.18 -0.55 8.40 7.77 2zx9B1 ALA 158 HA -1.12 0.03 0.43 -0.75 4.34 2.94 2zx9B1 ALA 158 HB3 -1.01 0.05 0.12 -0.04 1.41 0.52 2zx9B1 LYS 159 H -0.12 0.37 -0.28 -0.55 8.42 7.84 2zx9B1 LYS 159 HA -0.07 0.09 0.37 -0.75 4.32 3.96 2zx9B1 LYS 159 HB2 -0.04 0.10 0.18 -0.04 1.87 2.08 2zx9B1 LYS 159 HB3 -0.05 -0.03 -0.03 -0.04 1.79 1.65 2zx9B1 LYS 159 HG2 -0.03 -0.01 0.04 -0.04 1.46 1.42 2zx9B1 LYS 159 HG3 -0.02 0.04 0.02 -0.04 1.46 1.46 2zx9B1 LYS 159 HD2 0.00 0.00 -0.00 -0.04 1.69 1.65 2zx9B1 LYS 159 HD3 0.01 -0.02 -0.01 -0.04 1.68 1.61 2zx9B1 LYS 159 HE2 -0.01 -0.04 -0.00 -0.04 2.99 2.90 2zx9B1 LYS 159 HE3 -0.03 0.01 -0.03 -0.04 2.99 2.89 2zx9B1 ALA 160 H -0.06 0.35 -0.18 -0.55 8.40 7.96 2zx9B1 ALA 160 HA -0.06 0.05 0.43 -0.75 4.34 4.01 2zx9B1 ALA 160 HB3 -0.10 -0.01 -0.06 -0.04 1.41 1.20 2zx9B1 VAL 161 H 0.06 0.58 -0.09 -0.55 8.24 8.23 2zx9B1 VAL 161 HA 0.11 -0.04 0.33 -0.75 4.13 3.76 2zx9B1 VAL 161 HB 0.19 0.11 0.07 -0.04 2.12 2.45 2zx9B1 VAL 161 HG13 0.21 0.06 -0.37 -0.04 0.97 0.83 2zx9B1 VAL 161 HG23 0.39 0.01 0.01 -0.04 0.95 1.32 2zx9B1 ARG 162 H -0.00 0.45 -0.33 -0.55 8.46 8.02 2zx9B1 ARG 162 HA 0.02 0.29 0.40 -0.75 4.34 4.30 2zx9B1 ARG 162 HB2 -0.03 0.13 0.15 -0.04 1.90 2.11 2zx9B1 ARG 162 HB3 -0.01 -0.05 -0.03 -0.04 1.80 1.66 2zx9B1 ARG 162 HG2 0.01 -0.00 0.05 -0.04 1.67 1.68 2zx9B1 ARG 162 HG3 0.05 -0.04 -0.02 -0.04 1.67 1.62 2zx9B1 ARG 162 HD2 -0.09 0.11 0.00 -0.04 3.22 3.20 2zx9B1 ARG 162 HD3 -0.02 -0.05 -0.01 -0.04 3.22 3.10 2zx9B1 GLU 163 H -0.02 0.46 -0.16 -0.55 8.60 8.34 2zx9B1 GLU 163 HA -0.02 0.03 0.50 -0.75 4.29 4.04 2zx9B1 GLU 163 HB2 -0.03 0.10 0.22 -0.04 2.09 2.34 2zx9B1 GLU 163 HB3 -0.03 -0.08 0.05 -0.04 1.99 1.88 2zx9B1 GLU 163 HG2 -0.02 -0.05 0.07 -0.04 2.34 2.29 2zx9B1 GLU 163 HG3 -0.03 0.05 0.08 -0.04 2.34 2.40 2zx9B1 ALA 164 H -0.00 0.36 -0.47 -0.55 8.40 7.75 2zx9B1 ALA 164 HA -0.01 0.01 0.46 -0.75 4.34 4.04 2zx9B1 ALA 164 HB3 0.01 -0.01 0.03 -0.04 1.41 1.40 2zx9B1 GLY 165 H -0.00 0.33 -0.65 -0.55 8.43 7.56 2zx9B1 GLY 165 HA2 -0.01 0.04 0.29 -0.51 4.01 3.82 2zx9B1 GLY 165 HA3 -0.01 0.04 0.51 -0.51 4.01 4.04 2zx9B1 LEU 166 H 0.03 0.35 -0.17 -0.55 8.37 8.03 2zx9B1 LEU 166 HA 0.00 0.20 0.63 -0.75 4.35 4.43 2zx9B1 LEU 166 HB2 0.11 -0.09 -0.15 -0.04 1.64 1.46 2zx9B1 LEU 166 HB3 0.07 -0.07 -0.27 -0.04 1.64 1.34 2zx9B1 LEU 166 HG 0.06 0.00 -0.16 -0.04 1.64 1.51 2zx9B1 LEU 166 HD13 0.10 -0.06 -0.33 -0.04 0.93 0.60 2zx9B1 LEU 166 HD23 0.02 0.01 -0.17 -0.04 0.89 0.70 2zx9B1 ARG 167 H -0.01 0.54 0.36 -0.55 8.46 8.80 2zx9B1 ARG 167 HA -0.11 0.14 0.66 -0.75 4.34 4.27 2zx9B1 ARG 167 HB2 -0.23 -0.03 0.14 -0.04 1.90 1.74 2zx9B1 ARG 167 HB3 -0.52 -0.07 0.03 -0.04 1.80 1.20 2zx9B1 ARG 167 HG2 -0.41 0.08 0.02 -0.04 1.67 1.32 2zx9B1 ARG 167 HG3 -1.22 -0.00 -0.01 -0.04 1.67 0.40 2zx9B1 ARG 167 HD2 -1.51 -0.01 0.00 -0.04 3.22 1.66 2zx9B1 ARG 167 HD3 -0.49 0.03 0.04 -0.04 3.22 2.75 2zx9B1 PHE 168 H 0.16 0.23 0.17 -0.55 8.34 8.35 2zx9B1 PHE 168 HA 0.13 0.22 1.10 -0.75 4.62 5.31 2zx9B1 PHE 168 HB2 0.08 0.04 -0.07 -0.04 3.15 3.16 2zx9B1 PHE 168 HB3 0.08 0.03 0.18 -0.04 3.06 3.31 2zx9B1 PHE 168 HD2 0.12 -0.02 -0.08 -0.04 7.28 7.26 2zx9B1 PHE 168 HE2 0.06 -0.12 -0.13 -0.04 7.38 7.15 2zx9B1 PHE 168 HZ 0.01 -0.13 0.01 -0.04 7.32 7.17 2zx9B1 GLY 169 H -0.24 0.73 0.31 -0.55 8.43 8.68 2zx9B1 GLY 169 HA2 0.12 -0.02 0.98 -0.51 4.01 4.57 2zx9B1 GLY 169 HA3 0.14 -0.02 0.28 -0.51 4.01 3.90 2zx9B1 VAL 170 H 0.17 0.72 0.32 -0.55 8.24 8.89 2zx9B1 VAL 170 HA 0.00 0.26 1.03 -0.75 4.13 4.67 2zx9B1 VAL 170 HB 0.11 -0.05 0.05 -0.04 2.12 2.19 2zx9B1 VAL 170 HG13 0.11 0.01 -0.20 -0.04 0.97 0.84 2zx9B1 VAL 170 HG23 0.11 0.00 -0.02 -0.04 0.95 1.01 2zx9B1 TYR 171 H 0.29 0.48 0.26 -0.55 8.29 8.77 2zx9B1 TYR 171 HA 0.40 0.44 0.87 -0.75 4.56 5.51 2zx9B1 TYR 171 HB2 0.20 0.06 -0.17 -0.04 3.06 3.11 2zx9B1 TYR 171 HB3 0.08 0.01 -0.04 -0.04 2.98 2.99 2zx9B1 TYR 171 HD2 0.04 -0.08 -0.27 -0.04 7.15 6.80 2zx9B1 TYR 171 HE2 0.05 -0.00 -0.12 -0.04 6.85 6.74 2zx9B1 TYR 172 H -0.38 0.54 0.27 -0.55 8.29 8.16 2zx9B1 TYR 172 HA 0.11 0.05 0.89 -0.75 4.56 4.86 2zx9B1 TYR 172 HB2 0.10 0.05 -0.32 -0.04 3.06 2.85 2zx9B1 TYR 172 HB3 0.04 -0.03 -0.02 -0.04 2.98 2.93 2zx9B1 TYR 172 HD2 0.24 -0.06 -0.18 -0.04 7.15 7.11 2zx9B1 TYR 172 HE2 0.20 -0.01 -0.11 -0.04 6.85 6.89 2zx9B1 SER 173 H -0.37 0.59 0.20 -0.55 8.46 8.33 2zx9B1 SER 173 HA -0.21 0.03 0.82 -0.75 4.49 4.38 2zx9B1 SER 173 HB2 -0.20 -0.19 0.07 -0.04 3.95 3.59 2zx9B1 SER 173 HB3 -0.23 0.10 -0.12 -0.04 3.93 3.64 2zx9B1 GLY 174 H -0.03 0.24 0.25 -0.55 8.43 8.34 2zx9B1 GLY 174 HA2 0.01 0.02 0.46 -0.51 4.01 3.99 2zx9B1 GLY 174 HA3 0.08 0.02 0.32 -0.51 4.01 3.91 2zx9B1 GLY 175 H -0.06 0.44 0.15 -0.55 8.43 8.42 2zx9B1 GLY 175 HA2 -0.07 -0.04 0.19 -0.51 4.01 3.58 2zx9B1 GLY 175 HA3 -0.06 0.20 0.21 -0.51 4.01 3.84 2zx9B1 LEU 176 H -0.18 0.11 -0.29 -0.55 8.37 7.46 2zx9B1 LEU 176 HA -0.28 0.21 0.88 -0.75 4.35 4.41 2zx9B1 LEU 176 HB2 -0.70 -0.15 0.01 -0.04 1.64 0.76 2zx9B1 LEU 176 HB3 -0.58 -0.04 0.02 -0.04 1.64 1.00 2zx9B1 LEU 176 HG -0.29 -0.02 -0.24 -0.04 1.64 1.06 2zx9B1 LEU 176 HD13 -0.62 -0.04 -0.04 -0.04 0.93 0.19 2zx9B1 LEU 176 HD23 -0.08 0.09 0.02 -0.04 0.89 0.88 2zx9B1 ASP 177 H -0.30 0.19 -0.03 -0.55 8.40 7.72 2zx9B1 ASP 177 HA -0.23 0.18 0.51 -0.75 4.63 4.34 2zx9B1 ASP 177 HB2 -0.11 0.21 -0.19 -0.04 2.71 2.58 2zx9B1 ASP 177 HB3 -0.20 -0.07 0.12 -0.04 2.70 2.51 2zx9B1 TRP 178 H -0.43 0.94 0.28 -0.55 7.97 8.21 2zx9B1 TRP 178 HA -0.05 0.08 0.37 -0.75 4.62 4.26 2zx9B1 TRP 178 HB2 -0.02 -0.07 0.02 -0.04 3.23 3.13 2zx9B1 TRP 178 HB3 -0.07 0.09 0.04 -0.04 3.23 3.25 2zx9B1 TRP 178 HD1 -0.14 0.05 -0.19 -0.04 7.22 6.90 2zx9B1 TRP 178 HE1 -0.34 0.07 -0.05 -0.04 10.20 9.84 2zx9B1 TRP 178 HE3 -0.14 0.01 -0.14 -0.04 7.59 7.27 2zx9B1 TRP 178 HZ2 -1.61 0.06 -0.02 -0.04 7.44 5.82 2zx9B1 TRP 178 HZ3 -0.21 0.00 -0.01 -0.04 7.13 6.87 2zx9B1 TRP 178 HH2 -1.20 -0.00 0.01 -0.04 7.19 5.96 2zx9B1 ARG 179 H 0.23 0.02 -0.71 -0.55 8.46 7.44 2zx9B1 ARG 179 HA 0.01 0.12 0.55 -0.75 4.34 4.27 2zx9B1 ARG 179 HB2 0.20 -0.04 0.00 -0.04 1.90 2.02 2zx9B1 ARG 179 HB3 -0.18 0.01 0.05 -0.04 1.80 1.64 2zx9B1 ARG 179 HG2 0.18 0.14 -0.03 -0.04 1.67 1.92 2zx9B1 ARG 179 HG3 0.14 0.00 0.03 -0.04 1.67 1.80 2zx9B1 ARG 179 HD2 -0.48 -0.05 0.03 -0.04 3.22 2.69 2zx9B1 ARG 179 HD3 -0.18 0.04 0.12 -0.04 3.22 3.16 2zx9B1 PHE 180 H 0.31 0.53 -0.24 -0.55 8.34 8.39 2zx9B1 PHE 180 HA -0.04 0.17 0.80 -0.75 4.62 4.80 2zx9B1 PHE 180 HB2 -0.21 0.08 0.08 -0.04 3.15 3.07 2zx9B1 PHE 180 HB3 -0.10 -0.03 0.21 -0.04 3.06 3.10 2zx9B1 PHE 180 HD2 -0.01 -0.03 -0.02 -0.04 7.28 7.18 2zx9B1 PHE 180 HE2 0.01 -0.02 -0.06 -0.04 7.38 7.26 2zx9B1 PHE 180 HZ -0.63 0.02 -0.04 -0.04 7.32 6.64 2zx9B1 THR 181 H 0.12 0.38 -0.19 -0.55 8.28 8.04 2zx9B1 THR 181 HA 0.04 0.19 0.74 -0.75 4.39 4.60 2zx9B1 THR 181 HB -0.00 -0.04 0.01 -0.04 4.32 4.25 2zx9B1 THR 181 HG23 0.02 0.03 -0.41 -0.04 1.22 0.82 2zx9B1 THR 182 H -0.01 -0.03 0.15 -0.55 8.28 7.84 2zx9B1 THR 182 HA -0.03 0.24 0.88 -0.75 4.39 4.72 2zx9B1 THR 182 HB -0.02 0.01 0.05 -0.04 4.32 4.31 2zx9B1 THR 182 HG23 -0.01 0.01 -0.17 -0.04 1.22 1.00 2zx9B1 GLU 183 H -0.05 -0.09 0.16 -0.55 8.60 8.08 2zx9B1 GLU 183 HA -0.08 0.16 0.54 -0.75 4.29 4.16 2zx9B1 GLU 183 HB2 -0.02 -0.08 0.16 -0.04 2.09 2.10 2zx9B1 GLU 183 HB3 -0.07 -0.01 0.03 -0.04 1.99 1.90 2zx9B1 GLU 183 HG2 0.01 -0.06 0.04 -0.04 2.34 2.29 2zx9B1 GLU 183 HG3 -0.05 0.15 0.05 -0.04 2.34 2.46 2zx9B1 PRO 184 HA -0.37 0.05 0.60 -0.51 4.44 4.21 2zx9B1 PRO 184 HB2 -0.24 0.10 -0.06 -0.04 2.28 2.05 2zx9B1 PRO 184 HB3 -0.25 0.06 0.01 -0.04 2.02 1.79 2zx9B1 PRO 184 HG2 -0.15 -0.07 -0.13 -0.04 2.03 1.64 2zx9B1 PRO 184 HG3 -0.12 0.14 -0.21 -0.04 2.03 1.80 2zx9B1 PRO 184 HD2 -0.09 0.00 0.22 -0.04 3.68 3.77 2zx9B1 PRO 184 HD3 -0.12 0.26 0.18 -0.04 3.65 3.93 2zx9B1 ILE 185 H -0.28 0.10 0.08 -0.55 8.25 7.60 2zx9B1 ILE 185 HA -0.28 0.06 0.60 -0.75 4.18 3.81 2zx9B1 ILE 185 HB -0.16 -0.03 0.09 -0.04 1.89 1.75 2zx9B1 ILE 185 HG12 -0.11 -0.02 0.00 -0.04 1.49 1.33 2zx9B1 ILE 185 HG13 0.11 -0.02 -0.02 -0.04 1.21 1.24 2zx9B1 ILE 185 HG23 -0.90 -0.01 -0.20 -0.04 0.93 -0.22 2zx9B1 ILE 185 HD13 -0.15 0.05 -0.14 -0.04 0.88 0.60 2zx9B1 ARG 186 H -0.24 0.07 0.17 -0.55 8.46 7.91 2zx9B1 ARG 186 HA -0.62 0.26 0.90 -0.75 4.34 4.13 2zx9B1 ARG 186 HB2 -0.10 -0.04 0.08 -0.04 1.90 1.79 2zx9B1 ARG 186 HB3 -0.60 0.01 0.02 -0.04 1.80 1.18 2zx9B1 ARG 186 HG2 -0.36 0.05 -0.06 -0.04 1.67 1.26 2zx9B1 ARG 186 HG3 -0.19 0.04 -0.28 -0.04 1.67 1.20 2zx9B1 ARG 186 HD2 0.16 -0.05 -0.00 -0.04 3.22 3.28 2zx9B1 ARG 186 HD3 0.15 0.04 -0.00 -0.04 3.22 3.36 2zx9B1 TYR 187 H -0.13 0.00 0.17 -0.55 8.29 7.77 2zx9B1 TYR 187 HA 0.22 0.35 0.86 -0.75 4.56 5.24 2zx9B1 TYR 187 HB2 0.03 -0.14 0.04 -0.04 3.06 2.96 2zx9B1 TYR 187 HB3 0.09 -0.01 0.09 -0.04 2.98 3.11 2zx9B1 TYR 187 HD2 0.13 -0.04 0.01 -0.04 7.15 7.20 2zx9B1 TYR 187 HE2 0.21 0.04 0.03 -0.04 6.85 7.09 2zx9B1 PRO 188 HA 0.13 0.10 0.40 -0.51 4.44 4.55 2zx9B1 PRO 188 HB2 0.10 0.05 0.01 -0.04 2.28 2.40 2zx9B1 PRO 188 HB3 0.11 0.06 0.09 -0.04 2.02 2.24 2zx9B1 PRO 188 HG2 0.13 0.02 0.07 -0.04 2.03 2.22 2zx9B1 PRO 188 HG3 0.25 0.07 0.10 -0.04 2.03 2.41 2zx9B1 PRO 188 HD2 0.25 0.05 0.15 -0.04 3.68 4.09 2zx9B1 PRO 188 HD3 0.40 0.33 0.23 -0.04 3.65 4.57 2zx9B1 GLU 189 H 0.14 0.12 -0.19 -0.55 8.60 8.12 2zx9B1 GLU 189 HA 0.07 0.11 0.41 -0.75 4.29 4.12 2zx9B1 GLU 189 HB2 0.10 -0.03 0.01 -0.04 2.09 2.13 2zx9B1 GLU 189 HB3 0.10 0.06 0.00 -0.04 1.99 2.11 2zx9B1 GLU 189 HG2 0.03 0.05 0.01 -0.04 2.34 2.38 2zx9B1 GLU 189 HG3 0.05 0.05 0.02 -0.04 2.34 2.42 2zx9B1 ASP 190 H 0.05 0.14 -0.29 -0.55 8.40 7.75 2zx9B1 ASP 190 HA -0.41 0.05 0.38 -0.75 4.63 3.89 2zx9B1 ASP 190 HB2 -0.19 0.21 0.19 -0.04 2.71 2.88 2zx9B1 ASP 190 HB3 -0.32 0.07 0.07 -0.04 2.70 2.48 2zx9B1 LEU 191 H -0.08 0.35 -0.42 -0.55 8.37 7.67 2zx9B1 LEU 191 HA -0.10 0.09 0.42 -0.75 4.35 4.00 2zx9B1 LEU 191 HB2 0.01 0.23 0.10 -0.04 1.64 1.94 2zx9B1 LEU 191 HB3 0.01 0.01 0.00 -0.04 1.64 1.62 2zx9B1 LEU 191 HG -0.06 -0.04 0.04 -0.04 1.64 1.54 2zx9B1 LEU 191 HD13 0.13 -0.01 0.01 -0.04 0.93 1.01 2zx9B1 LEU 191 HD23 0.07 0.00 -0.00 -0.04 0.89 0.92 2zx9B1 SER 192 H -0.01 0.48 -0.28 -0.55 8.46 8.10 2zx9B1 SER 192 HA 0.03 0.11 0.54 -0.75 4.49 4.41 2zx9B1 SER 192 HB2 0.07 -0.03 0.10 -0.04 3.95 4.06 2zx9B1 SER 192 HB3 0.06 -0.04 0.09 -0.04 3.93 3.99 2zx9B1 TYR 193 H -0.19 0.27 -0.20 -0.55 8.29 7.61 2zx9B1 TYR 193 HA -0.01 0.20 0.80 -0.75 4.56 4.80 2zx9B1 TYR 193 HB2 -0.01 -0.02 0.11 -0.04 3.06 3.10 2zx9B1 TYR 193 HB3 -0.01 0.02 -0.11 -0.04 2.98 2.84 2zx9B1 TYR 193 HD2 -0.00 -0.01 -0.13 -0.04 7.15 6.97 2zx9B1 TYR 193 HE2 0.00 -0.04 -0.08 -0.04 6.85 6.69 2zx9B1 ILE 194 H -0.44 0.69 0.19 -0.55 8.25 8.14 2zx9B1 ILE 194 HA -0.11 0.11 0.78 -0.75 4.18 4.20 2zx9B1 ILE 194 HB -0.29 -0.02 0.08 -0.04 1.89 1.62 2zx9B1 ILE 194 HG12 -0.29 0.02 -0.05 -0.04 1.49 1.12 2zx9B1 ILE 194 HG13 -1.23 0.01 0.07 -0.04 1.21 0.01 2zx9B1 ILE 194 HG23 -0.12 -0.01 -0.11 -0.04 0.93 0.65 2zx9B1 ILE 194 HD13 -0.22 -0.04 -0.04 -0.04 0.88 0.55 2zx9B1 ARG 195 H -0.05 0.48 0.05 -0.55 8.46 8.39 2zx9B1 ARG 195 HA -0.11 0.13 0.73 -0.75 4.34 4.33 2zx9B1 ARG 195 HB2 -0.07 -0.06 -0.15 -0.04 1.90 1.57 2zx9B1 ARG 195 HB3 -0.14 0.00 0.07 -0.04 1.80 1.69 2zx9B1 ARG 195 HG2 -0.08 -0.14 -0.93 -0.04 1.67 0.49 2zx9B1 ARG 195 HG3 -0.05 0.00 -0.23 -0.04 1.67 1.35 2zx9B1 ARG 195 HD2 -0.10 0.10 0.08 -0.04 3.22 3.26 2zx9B1 ARG 195 HD3 -0.09 -0.02 0.06 -0.04 3.22 3.12 2zx9B1 PRO 196 HA -0.12 0.23 0.42 -0.51 4.44 4.46 2zx9B1 PRO 196 HB2 -0.69 -0.08 0.08 -0.04 2.28 1.55 2zx9B1 PRO 196 HB3 -0.99 0.00 0.11 -0.04 2.02 1.10 2zx9B1 PRO 196 HG2 -2.31 0.12 -0.03 -0.04 2.03 -0.22 2zx9B1 PRO 196 HG3 -0.84 0.05 0.07 -0.04 2.03 1.26 2zx9B1 PRO 196 HD2 -0.41 0.13 0.14 -0.04 3.68 3.50 2zx9B1 PRO 196 HD3 -0.36 0.10 0.19 -0.04 3.65 3.54 2zx9B1 ASN 197 H -0.14 0.11 -0.19 -0.55 8.53 7.76 2zx9B1 ASN 197 HA -0.07 -0.05 0.30 -0.75 4.76 4.19 2zx9B1 ASN 197 HB2 -0.02 0.36 -0.19 -0.04 2.88 2.99 2zx9B1 ASN 197 HB3 -0.02 -0.08 0.08 -0.04 2.79 2.73 2zx9B1 ASN 197 HD21 0.04 0.17 0.10 -0.04 7.03 7.30 2zx9B1 ASN 197 HD22 0.02 -0.02 0.04 -0.04 7.74 7.75 2zx9B1 THR 198 H -0.00 0.15 -0.63 -0.55 8.28 7.25 2zx9B1 THR 198 HA -0.03 0.23 0.78 -0.75 4.39 4.61 2zx9B1 THR 198 HB 0.13 -0.15 0.16 -0.04 4.32 4.42 2zx9B1 THR 198 HG23 0.08 0.13 0.08 -0.04 1.22 1.47 2zx9B1 TYR 199 H 0.18 0.23 0.20 -0.55 8.29 8.35 2zx9B1 TYR 199 HA 0.02 0.11 0.48 -0.75 4.56 4.43 2zx9B1 TYR 199 HB2 0.03 -0.02 0.17 -0.04 3.06 3.20 2zx9B1 TYR 199 HB3 0.02 0.06 0.01 -0.04 2.98 3.04 2zx9B1 TYR 199 HD2 0.02 -0.01 0.08 -0.04 7.15 7.20 2zx9B1 TYR 199 HE2 0.02 0.04 0.04 -0.04 6.85 6.91 2zx9B1 GLU 200 H 0.18 0.12 0.01 -0.55 8.60 8.37 2zx9B1 GLU 200 HA 0.12 0.11 0.43 -0.75 4.29 4.19 2zx9B1 GLU 200 HB2 0.13 0.06 0.13 -0.04 2.09 2.36 2zx9B1 GLU 200 HB3 0.17 -0.07 0.09 -0.04 1.99 2.13 2zx9B1 GLU 200 HG2 0.23 0.01 -0.21 -0.04 2.34 2.32 2zx9B1 GLU 200 HG3 0.13 0.04 0.02 -0.04 2.34 2.49 2zx9B1 TYR 201 H 0.13 0.06 -0.50 -0.55 8.29 7.43 2zx9B1 TYR 201 HA -0.17 0.08 0.39 -0.75 4.56 4.11 2zx9B1 TYR 201 HB2 -0.42 0.00 0.03 -0.04 3.06 2.63 2zx9B1 TYR 201 HB3 -0.23 0.15 -0.02 -0.04 2.98 2.84 2zx9B1 TYR 201 HD2 -1.15 -0.03 -0.08 -0.04 7.15 5.85 2zx9B1 TYR 201 HE2 -0.30 0.12 -0.02 -0.04 6.85 6.61 2zx9B1 ALA 202 H -0.04 0.34 -0.16 -0.55 8.40 7.99 2zx9B1 ALA 202 HA -0.36 0.06 0.47 -0.75 4.34 3.76 2zx9B1 ALA 202 HB3 -0.01 0.02 -0.03 -0.04 1.41 1.34 2zx9B1 ASP 203 H 0.01 0.47 -0.27 -0.55 8.40 8.06 2zx9B1 ASP 203 HA 0.08 0.04 0.40 -0.75 4.63 4.40 2zx9B1 ASP 203 HB2 0.07 0.15 0.14 -0.04 2.71 3.02 2zx9B1 ASP 203 HB3 0.05 -0.03 -0.03 -0.04 2.70 2.66 2zx9B1 TYR 204 H 0.06 0.55 -0.01 -0.55 8.29 8.34 2zx9B1 TYR 204 HA -0.10 0.01 0.42 -0.75 4.56 4.13 2zx9B1 TYR 204 HB2 0.05 0.06 0.13 -0.04 3.06 3.26 2zx9B1 TYR 204 HB3 -0.32 0.10 0.19 -0.04 2.98 2.91 2zx9B1 TYR 204 HD2 0.03 0.02 -0.01 -0.04 7.15 7.15 2zx9B1 TYR 204 HE2 0.31 0.02 -0.13 -0.04 6.85 7.00 2zx9B1 ALA 205 H -0.41 0.61 -0.20 -0.55 8.40 7.84 2zx9B1 ALA 205 HA -0.15 -0.01 0.35 -0.75 4.34 3.78 2zx9B1 ALA 205 HB3 -0.85 0.04 0.11 -0.04 1.41 0.67 2zx9B1 TYR 206 H 0.17 0.44 -0.24 -0.55 8.29 8.10 2zx9B1 TYR 206 HA 0.37 -0.02 0.37 -0.75 4.56 4.53 2zx9B1 TYR 206 HB2 0.25 0.02 0.13 -0.04 3.06 3.42 2zx9B1 TYR 206 HB3 0.05 0.09 0.25 -0.04 2.98 3.33 2zx9B1 TYR 206 HD2 0.02 -0.00 -0.06 -0.04 7.15 7.07 2zx9B1 TYR 206 HE2 -0.06 0.01 -0.05 -0.04 6.85 6.71 2zx9B1 LYS 207 H 0.02 0.90 0.02 -0.55 8.42 8.80 2zx9B1 LYS 207 HA -0.27 0.01 0.31 -0.75 4.32 3.62 2zx9B1 LYS 207 HB2 -0.69 0.04 0.04 -0.04 1.87 1.21 2zx9B1 LYS 207 HB3 -0.80 -0.05 0.01 -0.04 1.79 0.90 2zx9B1 LYS 207 HG2 0.03 -0.06 0.02 -0.04 1.46 1.40 2zx9B1 LYS 207 HG3 -0.11 0.19 -0.13 -0.04 1.46 1.38 2zx9B1 LYS 207 HD2 -0.56 -0.01 -0.04 -0.04 1.69 1.03 2zx9B1 LYS 207 HD3 -0.06 -0.01 -0.04 -0.04 1.68 1.53 2zx9B1 LYS 207 HE2 -0.01 -0.04 -0.08 -0.04 2.99 2.82 2zx9B1 LYS 207 HE3 -0.13 -0.00 -0.14 -0.04 2.99 2.68 2zx9B1 GLN 208 H -0.18 0.71 -0.23 -0.55 8.47 8.23 2zx9B1 GLN 208 HA 0.30 -0.02 0.51 -0.75 4.36 4.39 2zx9B1 GLN 208 HB2 -0.15 0.15 0.12 -0.04 2.15 2.22 2zx9B1 GLN 208 HB3 0.32 -0.08 -0.03 -0.04 2.02 2.18 2zx9B1 GLN 208 HG2 0.33 -0.13 -0.00 -0.04 2.40 2.56 2zx9B1 GLN 208 HG3 -0.46 0.14 0.01 -0.04 2.39 2.04 2zx9B1 GLN 208 HE21 -0.07 0.04 -0.06 -0.04 6.97 6.84 2zx9B1 GLN 208 HE22 -0.02 -0.15 -0.06 -0.04 7.69 7.43 2zx9B1 VAL 209 H -0.14 0.65 -0.05 -0.55 8.24 8.15 2zx9B1 VAL 209 HA -0.21 0.00 0.43 -0.75 4.13 3.59 2zx9B1 VAL 209 HB -0.04 0.09 0.09 -0.04 2.12 2.23 2zx9B1 VAL 209 HG13 -0.04 -0.01 -0.14 -0.04 0.97 0.74 2zx9B1 VAL 209 HG23 -0.09 0.03 -0.03 -0.04 0.95 0.82 2zx9B1 MET 210 H -0.25 0.60 -0.07 -0.55 8.47 8.20 2zx9B1 MET 210 HA -0.14 0.05 0.42 -0.75 4.52 4.09 2zx9B1 MET 210 HB2 -0.31 0.15 0.12 -0.04 2.15 2.06 2zx9B1 MET 210 HB3 -0.24 -0.03 -0.06 -0.04 2.03 1.66 2zx9B1 MET 210 HG2 -0.95 0.11 0.03 -0.04 2.63 1.78 2zx9B1 MET 210 HG3 -0.87 -0.05 -0.06 -0.04 2.56 1.54 2zx9B1 MET 210 HE3 -1.08 0.00 -0.04 -0.04 2.10 0.94 2zx9B1 GLU 211 H 0.01 0.36 -0.40 -0.55 8.60 8.02 2zx9B1 GLU 211 HA 0.07 0.06 0.44 -0.75 4.29 4.10 2zx9B1 GLU 211 HB2 0.37 0.12 0.12 -0.04 2.09 2.66 2zx9B1 GLU 211 HB3 0.32 0.14 0.15 -0.04 1.99 2.56 2zx9B1 GLU 211 HG2 0.25 -0.02 -0.16 -0.04 2.34 2.37 2zx9B1 GLU 211 HG3 0.18 0.03 0.02 -0.04 2.34 2.52 2zx9B1 LEU 212 H -0.11 0.42 -0.14 -0.55 8.37 7.99 2zx9B1 LEU 212 HA -0.17 -0.03 0.42 -0.75 4.35 3.81 2zx9B1 LEU 212 HB2 -0.13 0.15 0.14 -0.04 1.64 1.76 2zx9B1 LEU 212 HB3 -0.06 -0.02 0.02 -0.04 1.64 1.53 2zx9B1 LEU 212 HG -0.54 0.27 0.06 -0.04 1.64 1.38 2zx9B1 LEU 212 HD13 -0.17 -0.03 -0.08 -0.04 0.93 0.62 2zx9B1 LEU 212 HD23 -1.68 -0.03 -0.05 -0.04 0.89 -0.91 2zx9B1 VAL 213 H -0.04 0.57 -0.15 -0.55 8.24 8.07 2zx9B1 VAL 213 HA 0.09 0.03 0.31 -0.75 4.13 3.80 2zx9B1 VAL 213 HB 0.10 0.05 0.17 -0.04 2.12 2.40 2zx9B1 VAL 213 HG13 0.28 0.01 -0.17 -0.04 0.97 1.05 2zx9B1 VAL 213 HG23 -0.09 0.05 -0.02 -0.04 0.95 0.86 2zx9B1 ASP 214 H 0.03 0.48 -0.21 -0.55 8.40 8.15 2zx9B1 ASP 214 HA 0.04 0.12 0.48 -0.75 4.63 4.52 2zx9B1 ASP 214 HB2 0.02 0.00 0.08 -0.04 2.71 2.77 2zx9B1 ASP 214 HB3 0.03 -0.04 0.05 -0.04 2.70 2.69 2zx9B1 LEU 215 H -0.23 0.38 -0.17 -0.55 8.37 7.80 2zx9B1 LEU 215 HA -0.27 0.14 0.80 -0.75 4.35 4.27 2zx9B1 LEU 215 HB2 -1.23 -0.01 0.12 -0.04 1.64 0.48 2zx9B1 LEU 215 HB3 -1.24 -0.09 -0.00 -0.04 1.64 0.27 2zx9B1 LEU 215 HG -0.17 0.07 -0.01 -0.04 1.64 1.49 2zx9B1 LEU 215 HD13 -0.05 -0.05 -0.11 -0.04 0.93 0.67 2zx9B1 LEU 215 HD23 -0.10 -0.01 -0.02 -0.04 0.89 0.72 2zx9B1 TYR 216 H -0.18 0.49 0.03 -0.55 8.29 8.08 2zx9B1 TYR 216 HA 0.00 0.23 0.94 -0.75 4.56 4.98 2zx9B1 TYR 216 HB2 0.11 0.03 -0.07 -0.04 3.06 3.08 2zx9B1 TYR 216 HB3 0.04 -0.01 0.01 -0.04 2.98 2.99 2zx9B1 TYR 216 HD2 -0.08 0.10 -0.06 -0.04 7.15 7.07 2zx9B1 TYR 216 HE2 -0.24 -0.06 -0.06 -0.04 6.85 6.46 2zx9B1 LEU 217 H 0.07 0.29 -0.04 -0.55 8.37 8.15 2zx9B1 LEU 217 HA 0.19 0.02 0.37 -0.75 4.35 4.18 2zx9B1 LEU 217 HB2 0.02 0.02 -0.01 -0.04 1.64 1.63 2zx9B1 LEU 217 HB3 -0.03 0.00 -0.04 -0.04 1.64 1.54 2zx9B1 LEU 217 HG -0.22 -0.01 -0.00 -0.04 1.64 1.37 2zx9B1 LEU 217 HD13 0.15 -0.01 -0.07 -0.04 0.93 0.95 2zx9B1 LEU 217 HD23 -0.09 0.02 -0.02 -0.04 0.89 0.76 2zx9B1 PRO 218 HA 0.38 0.20 0.44 -0.51 4.44 4.94 2zx9B1 PRO 218 HB2 0.24 -0.01 -0.11 -0.04 2.28 2.36 2zx9B1 PRO 218 HB3 0.26 -0.01 -0.06 -0.04 2.02 2.17 2zx9B1 PRO 218 HG2 0.15 -0.09 -0.15 -0.04 2.03 1.90 2zx9B1 PRO 218 HG3 0.32 0.01 -0.18 -0.04 2.03 2.13 2zx9B1 PRO 218 HD2 0.21 0.05 -0.05 -0.04 3.68 3.86 2zx9B1 PRO 218 HD3 0.19 0.11 -0.05 -0.04 3.65 3.86 2zx9B1 ASP 219 H 0.32 0.79 0.39 -0.55 8.40 9.36 2zx9B1 ASP 219 HA 0.57 0.16 0.51 -0.75 4.63 5.12 2zx9B1 ASP 219 HB2 0.20 -0.10 -0.11 -0.04 2.71 2.66 2zx9B1 ASP 219 HB3 0.28 0.04 0.02 -0.04 2.70 2.99 2zx9B1 VAL 220 H 0.35 0.14 -0.05 -0.55 8.24 8.13 2zx9B1 VAL 220 HA 0.39 0.32 0.75 -0.75 4.13 4.83 2zx9B1 VAL 220 HB 0.37 -0.19 -0.05 -0.04 2.12 2.22 2zx9B1 VAL 220 HG13 0.56 -0.01 -0.39 -0.04 0.97 1.09 2zx9B1 VAL 220 HG23 0.48 0.02 -0.43 -0.04 0.95 0.99 2zx9B1 LEU 221 H 0.24 0.94 0.29 -0.55 8.37 9.29 2zx9B1 LEU 221 HA 0.19 0.11 0.77 -0.75 4.35 4.67 2zx9B1 LEU 221 HB2 0.07 0.00 0.24 -0.04 1.64 1.91 2zx9B1 LEU 221 HB3 0.36 -0.09 0.03 -0.04 1.64 1.90 2zx9B1 LEU 221 HG -0.77 0.13 -0.13 -0.04 1.64 0.83 2zx9B1 LEU 221 HD13 -0.61 -0.01 -0.11 -0.04 0.93 0.15 2zx9B1 LEU 221 HD23 -0.15 0.01 -0.10 -0.04 0.89 0.61 2zx9B1 TRP 222 H 0.42 0.98 0.14 -0.55 7.97 8.96 2zx9B1 TRP 222 HA 0.14 0.04 0.86 -0.75 4.62 4.90 2zx9B1 TRP 222 HB2 0.21 0.04 -0.14 -0.04 3.23 3.30 2zx9B1 TRP 222 HB3 0.25 -0.13 0.12 -0.04 3.23 3.42 2zx9B1 TRP 222 HD1 0.30 0.05 -0.23 -0.04 7.22 7.30 2zx9B1 TRP 222 HE1 0.18 0.08 -0.19 -0.04 10.20 10.24 2zx9B1 TRP 222 HE3 0.11 -0.11 -0.46 -0.04 7.59 7.10 2zx9B1 TRP 222 HZ2 0.20 0.08 -0.14 -0.04 7.44 7.55 2zx9B1 TRP 222 HZ3 0.43 -0.12 -0.18 -0.04 7.13 7.22 2zx9B1 TRP 222 HH2 0.35 -0.03 -0.12 -0.04 7.19 7.36 2zx9B1 ASN 223 H -0.45 0.13 0.04 -0.55 8.53 7.71 2zx9B1 ASN 223 HA -0.25 0.18 0.87 -0.75 4.76 4.81 2zx9B1 ASN 223 HB2 -2.07 0.02 -0.05 -0.04 2.88 0.73 2zx9B1 ASN 223 HB3 -1.98 -0.07 -0.13 -0.04 2.79 0.58 2zx9B1 ASN 223 HD21 0.03 0.25 -0.43 -0.04 7.03 6.84 2zx9B1 ASN 223 HD22 -0.57 0.30 -0.29 -0.04 7.74 7.14 2zx9B1 ASP 224 H -0.23 0.40 0.43 -0.55 8.40 8.45 2zx9B1 ASP 224 HA -0.07 0.21 1.07 -0.75 4.63 5.09 2zx9B1 ASP 224 HB2 0.01 0.03 -0.17 -0.04 2.71 2.54 2zx9B1 ASP 224 HB3 0.10 -0.08 0.01 -0.04 2.70 2.69 2zx9B1 MET 225 H 0.04 0.15 0.15 -0.55 8.47 8.27 2zx9B1 MET 225 HA 0.05 0.02 0.29 -0.75 4.52 4.13 2zx9B1 MET 225 HB2 -0.04 0.08 -0.04 -0.04 2.15 2.12 2zx9B1 MET 225 HB3 -0.04 0.10 0.15 -0.04 2.03 2.20 2zx9B1 MET 225 HG2 0.21 -0.09 -0.15 -0.04 2.63 2.56 2zx9B1 MET 225 HG3 -0.20 -0.04 -0.11 -0.04 2.56 2.17 2zx9B1 MET 225 HE3 0.09 0.02 -0.03 -0.04 2.10 2.14 2zx9B1 GLY 226 H -0.05 0.07 -0.16 -0.55 8.43 7.73 2zx9B1 GLY 226 HA2 0.05 -0.04 -0.07 -0.51 4.01 3.43 2zx9B1 GLY 226 HA3 0.05 0.12 0.33 -0.51 4.01 4.00 2zx9B1 TRP 227 H 0.30 0.32 -0.03 -0.55 7.97 8.01 2zx9B1 TRP 227 HA 0.07 0.13 0.66 -0.75 4.62 4.72 2zx9B1 TRP 227 HB2 0.28 -0.09 0.03 -0.04 3.23 3.41 2zx9B1 TRP 227 HB3 0.16 0.08 0.02 -0.04 3.23 3.45 2zx9B1 TRP 227 HD1 0.10 -0.07 -0.55 -0.04 7.22 6.65 2zx9B1 TRP 227 HE1 0.09 -0.01 -0.10 -0.04 10.20 10.15 2zx9B1 TRP 227 HE3 0.03 -0.01 -0.08 -0.04 7.59 7.49 2zx9B1 TRP 227 HZ2 0.12 -0.03 -0.29 -0.04 7.44 7.19 2zx9B1 TRP 227 HZ3 0.16 -0.05 -0.07 -0.04 7.13 7.13 2zx9B1 TRP 227 HH2 -0.03 0.15 -0.21 -0.04 7.19 7.06 2zx9B1 PRO 228 HA -0.05 0.08 0.40 -0.51 4.44 4.36 2zx9B1 PRO 228 HB2 -0.14 -0.14 -0.03 -0.04 2.28 1.93 2zx9B1 PRO 228 HB3 0.01 0.07 0.03 -0.04 2.02 2.10 2zx9B1 PRO 228 HG2 -0.92 -0.06 0.06 -0.04 2.03 1.07 2zx9B1 PRO 228 HG3 -0.66 0.14 0.00 -0.04 2.03 1.46 2zx9B1 PRO 228 HD2 -1.92 0.02 0.11 -0.04 3.68 1.86 2zx9B1 PRO 228 HD3 -0.46 0.46 -0.12 -0.04 3.65 3.49 2zx9B1 GLU 229 H -0.00 0.18 0.19 -0.55 8.60 8.41 2zx9B1 GLU 229 HA 0.10 0.16 0.37 -0.75 4.29 4.16 2zx9B1 GLU 229 HB2 0.02 0.06 0.19 -0.04 2.09 2.32 2zx9B1 GLU 229 HB3 -0.00 -0.02 0.08 -0.04 1.99 2.01 2zx9B1 GLU 229 HG2 0.03 0.02 0.03 -0.04 2.34 2.38 2zx9B1 GLU 229 HG3 0.05 -0.04 0.07 -0.04 2.34 2.37 2zx9B1 LYS 230 H -0.04 0.08 -0.22 -0.55 8.42 7.68 2zx9B1 LYS 230 HA 0.02 0.13 0.34 -0.75 4.32 4.05 2zx9B1 LYS 230 HB2 -0.14 -0.02 -0.04 -0.04 1.87 1.63 2zx9B1 LYS 230 HB3 -0.07 -0.00 0.05 -0.04 1.79 1.72 2zx9B1 LYS 230 HG2 -0.31 0.03 0.01 -0.04 1.46 1.15 2zx9B1 LYS 230 HG3 -0.20 -0.03 -0.02 -0.04 1.46 1.17 2zx9B1 LYS 230 HD2 -0.43 0.11 -0.24 -0.04 1.69 1.10 2zx9B1 LYS 230 HD3 -1.52 -0.14 -0.12 -0.04 1.68 -0.14 2zx9B1 LYS 230 HE2 -1.00 -0.03 0.02 -0.04 2.99 1.93 2zx9B1 LYS 230 HE3 -0.32 0.02 0.02 -0.04 2.99 2.67 2zx9B1 GLY 231 H 0.11 0.44 -0.62 -0.55 8.43 7.80 2zx9B1 GLY 231 HA2 0.18 0.14 0.72 -0.51 4.01 4.54 2zx9B1 GLY 231 HA3 0.33 0.04 0.22 -0.51 4.01 4.09 2zx9B1 LYS 232 H 0.27 0.40 -0.12 -0.55 8.42 8.42 2zx9B1 LYS 232 HA 0.28 0.03 0.33 -0.75 4.32 4.21 2zx9B1 LYS 232 HB2 0.16 0.12 0.15 -0.04 1.87 2.26 2zx9B1 LYS 232 HB3 0.15 -0.02 -0.02 -0.04 1.79 1.86 2zx9B1 LYS 232 HG2 0.27 -0.00 -0.01 -0.04 1.46 1.67 2zx9B1 LYS 232 HG3 0.28 0.11 -0.06 -0.04 1.46 1.75 2zx9B1 LYS 232 HD2 0.11 -0.06 0.07 -0.04 1.69 1.76 2zx9B1 LYS 232 HD3 0.09 0.09 0.05 -0.04 1.68 1.87 2zx9B1 LYS 232 HE2 0.17 0.10 0.11 -0.04 2.99 3.32 2zx9B1 LYS 232 HE3 0.14 0.06 -0.01 -0.04 2.99 3.14 2zx9B1 GLU 233 H 0.13 0.21 -0.24 -0.55 8.60 8.15 2zx9B1 GLU 233 HA 0.10 0.07 0.44 -0.75 4.29 4.16 2zx9B1 GLU 233 HB2 0.07 0.05 0.03 -0.04 2.09 2.19 2zx9B1 GLU 233 HB3 0.00 0.01 0.03 -0.04 1.99 1.99 2zx9B1 GLU 233 HG2 0.11 0.01 0.02 -0.04 2.34 2.43 2zx9B1 GLU 233 HG3 0.06 0.03 0.03 -0.04 2.34 2.42 2zx9B1 ASP 234 H 0.07 0.48 -0.40 -0.55 8.40 8.00 2zx9B1 ASP 234 HA 0.02 0.05 0.42 -0.75 4.63 4.37 2zx9B1 ASP 234 HB2 0.15 0.21 0.09 -0.04 2.71 3.11 2zx9B1 ASP 234 HB3 -0.08 -0.07 0.04 -0.04 2.70 2.54 2zx9B1 LEU 235 H -0.20 0.46 -0.26 -0.55 8.37 7.82 2zx9B1 LEU 235 HA -0.68 -0.01 0.35 -0.75 4.35 3.26 2zx9B1 LEU 235 HB2 -0.24 0.12 0.00 -0.04 1.64 1.49 2zx9B1 LEU 235 HB3 -1.80 -0.02 -0.01 -0.04 1.64 -0.23 2zx9B1 LEU 235 HG -0.45 0.11 0.03 -0.04 1.64 1.28 2zx9B1 LEU 235 HD13 -0.33 0.00 -0.05 -0.04 0.93 0.52 2zx9B1 LEU 235 HD23 -1.37 -0.02 -0.10 -0.04 0.89 -0.64 2zx9B1 LYS 236 H -0.56 0.33 -0.41 -0.55 8.42 7.23 2zx9B1 LYS 236 HA -0.91 0.05 0.30 -0.75 4.32 2.99 2zx9B1 LYS 236 HB2 -1.15 0.12 0.06 -0.04 1.87 0.86 2zx9B1 LYS 236 HB3 -0.96 0.02 -0.27 -0.04 1.79 0.53 2zx9B1 LYS 236 HG2 -2.91 -0.13 -0.06 -0.04 1.46 -1.68 2zx9B1 LYS 236 HG3 -1.27 0.03 0.04 -0.04 1.46 0.22 2zx9B1 LYS 236 HD2 -1.02 -0.13 0.07 -0.04 1.69 0.57 2zx9B1 LYS 236 HD3 -0.64 -0.03 0.07 -0.04 1.68 1.04 2zx9B1 LYS 236 HE2 -1.05 0.04 0.06 -0.04 2.99 2.00 2zx9B1 LYS 236 HE3 -0.60 0.22 0.10 -0.04 2.99 2.68 2zx9B1 TYR 237 H -0.66 0.27 -0.25 -0.55 8.29 7.10 2zx9B1 TYR 237 HA -0.10 0.08 0.45 -0.75 4.56 4.23 2zx9B1 TYR 237 HB2 -0.04 0.11 0.13 -0.04 3.06 3.22 2zx9B1 TYR 237 HB3 -0.03 -0.01 0.03 -0.04 2.98 2.93 2zx9B1 TYR 237 HD2 -0.12 -0.00 0.05 -0.04 7.15 7.04 2zx9B1 TYR 237 HE2 -0.11 -0.00 -0.00 -0.04 6.85 6.69 2zx9B1 LEU 238 H -0.10 0.41 -0.04 -0.55 8.37 8.10 2zx9B1 LEU 238 HA 0.02 0.05 0.33 -0.75 4.35 3.99 2zx9B1 LEU 238 HB2 0.01 0.03 0.03 -0.04 1.64 1.66 2zx9B1 LEU 238 HB3 -0.33 -0.01 0.06 -0.04 1.64 1.32 2zx9B1 LEU 238 HG -0.16 0.00 -0.06 -0.04 1.64 1.38 2zx9B1 LEU 238 HD13 -0.25 -0.02 -0.08 -0.04 0.93 0.55 2zx9B1 LEU 238 HD23 -0.17 0.00 -0.28 -0.04 0.89 0.40 2zx9B1 PHE 239 H -0.24 0.65 -0.17 -0.55 8.34 8.03 2zx9B1 PHE 239 HA -0.53 0.03 0.35 -0.75 4.62 3.72 2zx9B1 PHE 239 HB2 -0.32 0.14 0.10 -0.04 3.15 3.03 2zx9B1 PHE 239 HB3 -0.51 0.02 -0.07 -0.04 3.06 2.45 2zx9B1 PHE 239 HD2 -0.29 -0.05 -0.17 -0.04 7.28 6.73 2zx9B1 PHE 239 HE2 -1.15 -0.00 -0.10 -0.04 7.38 6.09 2zx9B1 PHE 239 HZ -2.60 -0.06 -0.06 -0.04 7.32 4.55 2zx9B1 ALA 240 H -0.05 0.40 -0.31 -0.55 8.40 7.90 2zx9B1 ALA 240 HA 0.09 0.03 0.26 -0.75 4.34 3.96 2zx9B1 ALA 240 HB3 0.05 0.05 -0.13 -0.04 1.41 1.33 2zx9B1 TYR 241 H 0.20 0.64 -0.12 -0.55 8.29 8.46 2zx9B1 TYR 241 HA 0.07 0.01 0.32 -0.75 4.56 4.20 2zx9B1 TYR 241 HB2 0.06 0.02 0.07 -0.04 3.06 3.17 2zx9B1 TYR 241 HB3 0.04 0.06 0.12 -0.04 2.98 3.16 2zx9B1 TYR 241 HD2 0.04 0.01 -0.10 -0.04 7.15 7.06 2zx9B1 TYR 241 HE2 0.02 -0.01 -0.05 -0.04 6.85 6.77 2zx9B1 TYR 242 H 0.21 0.54 -0.27 -0.55 8.29 8.23 2zx9B1 TYR 242 HA -0.00 0.04 0.45 -0.75 4.56 4.30 2zx9B1 TYR 242 HB2 0.01 -0.08 0.04 -0.04 3.06 2.99 2zx9B1 TYR 242 HB3 -0.24 0.06 0.13 -0.04 2.98 2.89 2zx9B1 TYR 242 HD2 -0.30 -0.02 -0.09 -0.04 7.15 6.70 2zx9B1 TYR 242 HE2 0.09 0.09 -0.20 -0.04 6.85 6.79 2zx9B1 TYR 243 H -0.08 0.63 -0.08 -0.55 8.29 8.21 2zx9B1 TYR 243 HA -0.38 0.17 0.20 -0.75 4.56 3.79 2zx9B1 TYR 243 HB2 -0.30 0.04 0.08 -0.04 3.06 2.84 2zx9B1 TYR 243 HB3 -0.61 -0.02 -0.04 -0.04 2.98 2.26 2zx9B1 TYR 243 HD2 -0.66 -0.00 -0.16 -0.04 7.15 6.28 2zx9B1 TYR 243 HE2 -0.57 -0.04 -0.22 -0.04 6.85 5.98 2zx9B1 ASN 244 H 0.12 0.57 -0.29 -0.55 8.53 8.38 2zx9B1 ASN 244 HA 0.16 0.06 0.55 -0.75 4.76 4.78 2zx9B1 ASN 244 HB2 0.05 0.10 0.09 -0.04 2.88 3.08 2zx9B1 ASN 244 HB3 0.04 -0.07 0.05 -0.04 2.79 2.76 2zx9B1 ASN 244 HD21 0.14 0.35 0.08 -0.04 7.03 7.55 2zx9B1 ASN 244 HD22 0.11 -0.08 -0.12 -0.04 7.74 7.61 2zx9B1 LYS 245 H -0.02 0.29 -0.39 -0.55 8.42 7.74 2zx9B1 LYS 245 HA -0.03 0.05 0.71 -0.75 4.32 4.30 2zx9B1 LYS 245 HB2 -0.05 0.12 0.14 -0.04 1.87 2.04 2zx9B1 LYS 245 HB3 -0.04 -0.05 0.04 -0.04 1.79 1.70 2zx9B1 LYS 245 HG2 -0.16 -0.07 0.02 -0.04 1.46 1.20 2zx9B1 LYS 245 HG3 -0.30 0.02 -0.02 -0.04 1.46 1.12 2zx9B1 LYS 245 HD2 -0.87 -0.11 -0.05 -0.04 1.69 0.62 2zx9B1 LYS 245 HD3 -0.36 0.02 -0.07 -0.04 1.68 1.22 2zx9B1 LYS 245 HE2 -0.04 0.01 -0.11 -0.04 2.99 2.81 2zx9B1 LYS 245 HE3 -0.07 0.04 -0.01 -0.04 2.99 2.91 2zx9B1 HIS 246 H -0.00 0.34 -0.21 -0.55 8.41 8.00 2zx9B1 HIS 246 HA -0.01 0.07 0.67 -0.75 4.63 4.61 2zx9B1 HIS 246 HB2 -0.02 0.05 -0.31 -0.04 3.26 2.94 2zx9B1 HIS 246 HB3 -0.32 0.02 0.07 -0.04 3.20 2.93 2zx9B1 HIS 246 HD2 0.19 0.25 -0.13 -0.04 6.97 7.23 2zx9B1 HIS 246 HE1 0.05 -0.04 -0.07 -0.04 7.75 7.65 2zx9B1 PRO 247 HA 0.07 0.09 0.50 -0.51 4.44 4.59 2zx9B1 PRO 247 HB2 0.06 -0.06 0.06 -0.04 2.28 2.30 2zx9B1 PRO 247 HB3 0.14 0.01 0.12 -0.04 2.02 2.25 2zx9B1 PRO 247 HG2 0.07 -0.04 0.06 -0.04 2.03 2.08 2zx9B1 PRO 247 HG3 0.13 0.18 0.09 -0.04 2.03 2.40 2zx9B1 PRO 247 HD2 0.11 0.00 0.11 -0.04 3.68 3.86 2zx9B1 PRO 247 HD3 0.10 0.20 -0.22 -0.04 3.65 3.69 2zx9B1 GLU 248 H -0.10 0.06 -0.30 -0.55 8.60 7.71 2zx9B1 GLU 248 HA 0.06 0.14 0.71 -0.75 4.29 4.44 2zx9B1 GLU 248 HB2 0.05 0.03 0.03 -0.04 2.09 2.15 2zx9B1 GLU 248 HB3 0.41 -0.08 0.18 -0.04 1.99 2.46 2zx9B1 GLU 248 HG2 0.11 -0.01 0.00 -0.04 2.34 2.41 2zx9B1 GLU 248 HG3 0.08 -0.03 0.01 -0.04 2.34 2.37 2zx9B1 GLY 249 H -0.48 0.66 -0.40 -0.55 8.43 7.66 2zx9B1 GLY 249 HA2 0.10 0.06 0.56 -0.51 4.01 4.23 2zx9B1 GLY 249 HA3 -0.37 0.02 0.24 -0.51 4.01 3.40 2zx9B1 SER 250 H 0.47 0.17 0.04 -0.55 8.46 8.59 2zx9B1 SER 250 HA 0.22 0.16 0.53 -0.75 4.49 4.64 2zx9B1 SER 250 HB2 0.05 -0.10 0.03 -0.04 3.95 3.90 2zx9B1 SER 250 HB3 -0.02 0.18 -0.08 -0.04 3.93 3.97 2zx9B1 VAL 251 H -0.04 0.25 0.19 -0.55 8.24 8.09 2zx9B1 VAL 251 HA 0.08 0.20 0.98 -0.75 4.13 4.63 2zx9B1 VAL 251 HB -0.28 -0.04 0.14 -0.04 2.12 1.90 2zx9B1 VAL 251 HG13 -0.69 -0.00 -0.24 -0.04 0.97 0.00 2zx9B1 VAL 251 HG23 -0.62 0.05 -0.08 -0.04 0.95 0.26 2zx9B1 ASN 252 H 0.06 0.25 0.27 -0.55 8.53 8.55 2zx9B1 ASN 252 HA -1.38 0.35 0.89 -0.75 4.76 3.87 2zx9B1 ASN 252 HB2 -0.73 -0.05 0.17 -0.04 2.88 2.23 2zx9B1 ASN 252 HB3 -0.75 0.07 0.04 -0.04 2.79 2.11 2zx9B1 ASN 252 HD21 -1.24 0.44 0.07 -0.04 7.03 6.26 2zx9B1 ASN 252 HD22 -2.37 0.04 -0.01 -0.04 7.74 5.36 2zx9B1 ASP 253 H -0.43 0.14 0.18 -0.55 8.40 7.74 2zx9B1 ASP 253 HA 0.03 0.26 0.78 -0.75 4.63 4.95 2zx9B1 ASP 253 HB2 -0.61 0.02 0.18 -0.04 2.71 2.26 2zx9B1 ASP 253 HB3 -0.66 0.18 -0.01 -0.04 2.70 2.17 2zx9B1 ARG 254 H -0.36 0.15 -0.23 -0.55 8.46 7.47 2zx9B1 ARG 254 HA -0.15 0.26 0.92 -0.75 4.34 4.61 2zx9B1 ARG 254 HB2 -0.55 0.30 0.06 -0.04 1.90 1.68 2zx9B1 ARG 254 HB3 -0.23 -0.29 0.14 -0.04 1.80 1.39 2zx9B1 ARG 254 HG2 -0.22 0.10 -0.16 -0.04 1.67 1.36 2zx9B1 ARG 254 HG3 -0.51 -0.07 -0.05 -0.04 1.67 1.01 2zx9B1 ARG 254 HD2 -0.39 0.17 0.10 -0.04 3.22 3.06 2zx9B1 ARG 254 HD3 -0.05 -0.22 0.09 -0.04 3.22 3.00 2zx9B1 TRP 255 H 0.23 0.20 -0.30 -0.55 7.97 7.55 2zx9B1 TRP 255 HA 0.15 0.18 0.78 -0.75 4.62 4.98 2zx9B1 TRP 255 HB2 0.03 0.03 -0.06 -0.04 3.23 3.19 2zx9B1 TRP 255 HB3 -0.03 0.01 -0.01 -0.04 3.23 3.16 2zx9B1 TRP 255 HD1 -0.04 0.11 -0.10 -0.04 7.22 7.15 2zx9B1 TRP 255 HE1 -0.19 -0.01 -0.01 -0.04 10.20 9.95 2zx9B1 TRP 255 HE3 -0.57 -0.02 -0.09 -0.04 7.59 6.87 2zx9B1 TRP 255 HZ2 -0.09 0.20 -0.02 -0.04 7.44 7.49 2zx9B1 TRP 255 HZ3 -0.93 -0.00 -0.10 -0.04 7.13 6.05 2zx9B1 TRP 255 HH2 -0.10 0.02 -0.13 -0.04 7.19 6.94 2zx9B1 GLY 256 H 0.13 0.11 0.01 -0.55 8.43 8.14 2zx9B1 GLY 256 HA2 0.04 0.08 0.30 -0.51 4.01 3.91 2zx9B1 GLY 256 HA3 0.09 0.09 0.42 -0.51 4.01 4.09 2zx9B1 VAL 257 H 0.08 0.03 -0.18 -0.55 8.24 7.62 2zx9B1 VAL 257 HA -0.24 0.25 0.82 -0.75 4.13 4.20 2zx9B1 VAL 257 HB -1.18 0.01 0.08 -0.04 2.12 0.99 2zx9B1 VAL 257 HG13 -0.02 0.04 -0.12 -0.04 0.97 0.83 2zx9B1 VAL 257 HG23 -0.21 -0.11 -0.14 -0.04 0.95 0.45 2zx9B1 PRO 258 HA -0.19 0.14 0.35 -0.51 4.44 4.23 2zx9B1 PRO 258 HB2 -0.75 -0.03 0.01 -0.04 2.28 1.48 2zx9B1 PRO 258 HB3 -0.26 0.06 0.11 -0.04 2.02 1.88 2zx9B1 PRO 258 HG2 -0.71 -0.01 0.05 -0.04 2.03 1.33 2zx9B1 PRO 258 HG3 -0.34 0.06 0.01 -0.04 2.03 1.72 2zx9B1 PRO 258 HD2 -2.23 0.07 0.15 -0.04 3.68 1.62 2zx9B1 PRO 258 HD3 -0.61 0.14 0.15 -0.04 3.65 3.29 2zx9B1 HIS 259 H -0.25 0.00 -0.51 -0.55 8.41 7.11 2zx9B1 HIS 259 HA -0.27 0.30 1.08 -0.75 4.63 4.99 2zx9B1 HIS 259 HB2 0.17 -0.05 -0.21 -0.04 3.26 3.13 2zx9B1 HIS 259 HB3 0.26 -0.11 -0.08 -0.04 3.20 3.23 2zx9B1 HIS 259 HD2 -0.32 -0.12 -0.25 -0.04 6.97 6.24 2zx9B1 HIS 259 HE1 -0.10 0.37 0.05 -0.04 7.75 8.03 2zx9B1 TRP 260 H -1.23 0.47 0.19 -0.55 7.97 6.85 2zx9B1 TRP 260 HA -0.47 0.10 0.44 -0.75 4.62 3.93 2zx9B1 TRP 260 HB2 -0.33 -0.00 -0.29 -0.04 3.23 2.56 2zx9B1 TRP 260 HB3 -0.19 0.02 -0.07 -0.04 3.23 2.95 2zx9B1 TRP 260 HD1 -0.16 0.03 -0.40 -0.04 7.22 6.64 2zx9B1 TRP 260 HE1 -0.15 -0.01 -0.10 -0.04 10.20 9.90 2zx9B1 TRP 260 HE3 -0.18 -0.04 -0.89 -0.04 7.59 6.44 2zx9B1 TRP 260 HZ2 -0.18 -0.02 -0.05 -0.04 7.44 7.14 2zx9B1 TRP 260 HZ3 0.05 0.10 -0.13 -0.04 7.13 7.12 2zx9B1 TRP 260 HH2 -0.06 -0.01 -0.05 -0.04 7.19 7.04 2zx9B1 ASP 261 H -0.20 0.46 0.24 -0.55 8.40 8.34 2zx9B1 ASP 261 HA -0.17 0.19 0.88 -0.75 4.63 4.78 2zx9B1 ASP 261 HB2 -0.06 0.06 0.21 -0.04 2.71 2.88 2zx9B1 ASP 261 HB3 0.02 -0.01 0.05 -0.04 2.70 2.72 2zx9B1 PHE 262 H -0.29 0.22 0.20 -0.55 8.34 7.93 2zx9B1 PHE 262 HA 0.41 0.30 0.59 -0.75 4.62 5.17 2zx9B1 PHE 262 HB2 0.22 0.04 -0.29 -0.04 3.15 3.08 2zx9B1 PHE 262 HB3 0.05 0.08 -0.21 -0.04 3.06 2.94 2zx9B1 PHE 262 HD2 -0.23 0.11 -0.33 -0.04 7.28 6.78 2zx9B1 PHE 262 HE2 -0.20 -0.05 -0.27 -0.04 7.38 6.82 2zx9B1 PHE 262 HZ 0.04 -0.09 -0.29 -0.04 7.32 6.93 2zx9B1 LYS 263 H 0.25 0.67 0.35 -0.55 8.42 9.13 2zx9B1 LYS 263 HA -0.43 -0.02 0.74 -0.75 4.32 3.86 2zx9B1 LYS 263 HB2 -0.01 0.10 0.05 -0.04 1.87 1.98 2zx9B1 LYS 263 HB3 -0.33 0.01 0.09 -0.04 1.79 1.52 2zx9B1 LYS 263 HG2 -1.99 -0.05 -0.10 -0.04 1.46 -0.72 2zx9B1 LYS 263 HG3 -1.70 0.10 -0.06 -0.04 1.46 -0.25 2zx9B1 LYS 263 HD2 -1.58 0.01 -0.05 -0.04 1.69 0.03 2zx9B1 LYS 263 HD3 -0.96 0.04 -0.02 -0.04 1.68 0.69 2zx9B1 LYS 263 HE2 -0.53 -0.00 0.02 -0.04 2.99 2.43 2zx9B1 LYS 263 HE3 -0.95 -0.04 0.02 -0.04 2.99 1.98 2zx9B1 THR 264 H -0.08 0.15 0.21 -0.55 8.28 8.01 2zx9B1 THR 264 HA 0.39 0.31 1.11 -0.75 4.39 5.44 2zx9B1 THR 264 HB 0.31 0.07 0.04 -0.04 4.32 4.70 2zx9B1 THR 264 HG23 0.06 -0.01 -0.24 -0.04 1.22 0.98 2zx9B1 ALA 265 H 0.45 0.61 0.37 -0.55 8.40 9.28 2zx9B1 ALA 265 HA 0.24 0.15 0.68 -0.75 4.34 4.66 2zx9B1 ALA 265 HB3 0.37 0.05 -0.25 -0.04 1.41 1.54 2zx9B1 GLU 266 H 0.31 0.45 0.14 -0.55 8.60 8.95 2zx9B1 GLU 266 HA 0.20 0.34 0.95 -0.75 4.29 5.02 2zx9B1 GLU 266 HB2 0.31 -0.03 -0.06 -0.04 2.09 2.27 2zx9B1 GLU 266 HB3 0.32 -0.09 0.07 -0.04 1.99 2.26 2zx9B1 GLU 266 HG2 0.61 -0.06 -0.10 -0.04 2.34 2.76 2zx9B1 GLU 266 HG3 0.41 0.07 -0.04 -0.04 2.34 2.74 2zx9B1 TYR 267 H -0.18 0.45 0.28 -0.55 8.29 8.29 2zx9B1 TYR 267 HA 0.26 0.07 0.33 -0.75 4.56 4.47 2zx9B1 TYR 267 HB2 0.17 0.00 0.13 -0.04 3.06 3.32 2zx9B1 TYR 267 HB3 0.04 -0.01 0.31 -0.04 2.98 3.28 2zx9B1 TYR 267 HD2 0.19 0.01 0.01 -0.04 7.15 7.32 2zx9B1 TYR 267 HE2 -0.03 0.09 -0.01 -0.04 6.85 6.85 2zx9B1 HIS 268 H 0.22 0.33 0.28 -0.55 8.41 8.70 2zx9B1 HIS 268 HA 0.14 0.12 0.39 -0.75 4.63 4.53 2zx9B1 HIS 268 HB2 0.09 0.02 0.25 -0.04 3.26 3.58 2zx9B1 HIS 268 HB3 0.06 -0.01 0.07 -0.04 3.20 3.28 2zx9B1 HIS 268 HD2 0.10 0.01 -0.23 -0.04 6.97 6.82 2zx9B1 HIS 268 HE1 0.00 0.02 -0.05 -0.04 7.75 7.68 2zx9B1 VAL 269 H 0.24 0.24 -0.11 -0.55 8.24 8.06 2zx9B1 VAL 269 HA 0.12 -0.02 0.42 -0.75 4.13 3.89 2zx9B1 VAL 269 HB 0.15 -0.01 0.16 -0.04 2.12 2.37 2zx9B1 VAL 269 HG13 0.04 -0.00 -0.07 -0.04 0.97 0.90 2zx9B1 VAL 269 HG23 0.04 -0.00 -0.02 -0.04 0.95 0.92 2zx9B1 ASN 270 H 0.07 0.12 0.22 -0.55 8.53 8.39 2zx9B1 ASN 270 HA 0.01 -0.01 0.32 -0.75 4.76 4.32 2zx9B1 ASN 270 HB2 0.10 0.21 0.40 -0.04 2.88 3.54 2zx9B1 ASN 270 HB3 -0.01 0.03 0.24 -0.04 2.79 3.00 2zx9B1 ASN 270 HD21 -0.00 -0.09 -0.04 -0.04 7.03 6.87 2zx9B1 ASN 270 HD22 0.05 0.11 -0.00 -0.04 7.74 7.85 2zx9B1 TYR 271 H 0.20 0.32 -0.36 -0.55 8.29 7.90 2zx9B1 TYR 271 HA -0.15 0.09 0.39 -0.75 4.56 4.15 2zx9B1 TYR 271 HB2 0.03 0.09 -0.05 -0.04 3.06 3.09 2zx9B1 TYR 271 HB3 -0.04 -0.08 -0.00 -0.04 2.98 2.83 2zx9B1 TYR 271 HD2 -0.22 0.04 -0.25 -0.04 7.15 6.68 2zx9B1 TYR 271 HE2 -0.91 -0.02 -0.10 -0.04 6.85 5.78 2zx9B1 PRO 272 HA -0.23 -0.05 0.54 -0.51 4.44 4.19 2zx9B1 PRO 272 HB2 -0.43 0.27 0.08 -0.04 2.28 2.15 2zx9B1 PRO 272 HB3 -0.63 -0.05 0.11 -0.04 2.02 1.41 2zx9B1 PRO 272 HG2 -1.05 0.05 0.08 -0.04 2.03 1.08 2zx9B1 PRO 272 HG3 -2.42 0.07 0.06 -0.04 2.03 -0.30 2zx9B1 PRO 272 HD2 -1.99 0.02 0.16 -0.04 3.68 1.82 2zx9B1 PRO 272 HD3 -1.34 0.23 0.19 -0.04 3.65 2.69 2zx9B1 GLY 273 H -0.07 0.04 0.16 -0.55 8.43 8.01 2zx9B1 GLY 273 HA2 0.05 0.12 0.55 -0.51 4.01 4.22 2zx9B1 GLY 273 HA3 -0.01 -0.06 0.31 -0.51 4.01 3.74 2zx9B1 ASP 274 H -0.08 0.06 -0.07 -0.55 8.40 7.77 2zx9B1 ASP 274 HA 0.01 0.16 0.61 -0.75 4.63 4.66 2zx9B1 ASP 274 HB2 -0.02 -0.04 -0.18 -0.04 2.71 2.43 2zx9B1 ASP 274 HB3 -0.04 0.04 -0.01 -0.04 2.70 2.66 2zx9B1 LEU 275 H -0.02 0.04 0.11 -0.55 8.37 7.96 2zx9B1 LEU 275 HA -0.01 0.27 0.50 -0.75 4.35 4.35 2zx9B1 LEU 275 HB2 -0.03 -0.12 0.17 -0.04 1.64 1.63 2zx9B1 LEU 275 HB3 -0.01 0.17 -0.00 -0.04 1.64 1.76 2zx9B1 LEU 275 HG 0.04 -0.18 0.04 -0.04 1.64 1.49 2zx9B1 LEU 275 HD13 -0.02 -0.03 -0.16 -0.04 0.93 0.68 2zx9B1 LEU 275 HD23 0.08 0.03 -0.04 -0.04 0.89 0.91 2zx9B1 PRO 276 HA -0.27 -0.04 0.45 -0.51 4.44 4.07 2zx9B1 PRO 276 HB2 -1.42 -0.07 0.01 -0.04 2.28 0.76 2zx9B1 PRO 276 HB3 -0.72 -0.06 0.11 -0.04 2.02 1.31 2zx9B1 PRO 276 HG2 -0.89 0.09 0.08 -0.04 2.03 1.26 2zx9B1 PRO 276 HG3 -0.76 -0.02 0.16 -0.04 2.03 1.37 2zx9B1 PRO 276 HD2 -0.05 0.23 0.29 -0.04 3.68 4.10 2zx9B1 PRO 276 HD3 -0.10 0.21 0.41 -0.04 3.65 4.12 2zx9B1 GLY 277 H -0.15 0.04 0.11 -0.55 8.43 7.89 2zx9B1 GLY 277 HA2 -0.03 0.28 0.68 -0.51 4.01 4.43 2zx9B1 GLY 277 HA3 0.04 -0.07 0.39 -0.51 4.01 3.86 2zx9B1 TYR 278 H -0.49 0.22 -0.50 -0.55 8.29 6.97 2zx9B1 TYR 278 HA 0.21 0.16 0.74 -0.75 4.56 4.91 2zx9B1 TYR 278 HB2 0.50 0.07 0.05 -0.04 3.06 3.64 2zx9B1 TYR 278 HB3 0.38 0.02 -0.09 -0.04 2.98 3.24 2zx9B1 TYR 278 HD2 0.13 0.11 -0.34 -0.04 7.15 7.01 2zx9B1 TYR 278 HE2 -0.11 -0.02 -0.07 -0.04 6.85 6.60 2zx9B1 LYS 279 H 0.47 0.11 0.19 -0.55 8.42 8.64 2zx9B1 LYS 279 HA 0.32 0.28 0.73 -0.75 4.32 4.90 2zx9B1 LYS 279 HB2 0.25 -0.01 0.21 -0.04 1.87 2.27 2zx9B1 LYS 279 HB3 0.41 0.03 0.29 -0.04 1.79 2.48 2zx9B1 LYS 279 HG2 0.27 -0.05 -0.00 -0.04 1.46 1.64 2zx9B1 LYS 279 HG3 0.39 -0.08 -0.11 -0.04 1.46 1.62 2zx9B1 LYS 279 HD2 0.15 0.10 0.30 -0.04 1.69 2.20 2zx9B1 LYS 279 HD3 0.12 -0.05 0.10 -0.04 1.68 1.82 2zx9B1 LYS 279 HE2 0.06 -0.08 -0.11 -0.04 2.99 2.83 2zx9B1 LYS 279 HE3 0.10 -0.07 -0.02 -0.04 2.99 2.96 2zx9B1 TRP 280 H 0.25 0.45 0.21 -0.55 7.97 8.34 2zx9B1 TRP 280 HA 0.33 0.01 0.72 -0.75 4.62 4.92 2zx9B1 TRP 280 HB2 0.17 -0.08 -0.09 -0.04 3.23 3.19 2zx9B1 TRP 280 HB3 0.30 -0.06 -0.18 -0.04 3.23 3.24 2zx9B1 TRP 280 HD1 -0.03 0.18 -0.10 -0.04 7.22 7.23 2zx9B1 TRP 280 HE1 -0.09 0.48 -0.21 -0.04 10.20 10.34 2zx9B1 TRP 280 HE3 0.08 -0.03 -0.35 -0.04 7.59 7.24 2zx9B1 TRP 280 HZ2 -0.22 0.10 -0.01 -0.04 7.44 7.27 2zx9B1 TRP 280 HZ3 -0.25 -0.08 -0.12 -0.04 7.13 6.64 2zx9B1 TRP 280 HH2 -0.98 -0.02 -0.05 -0.04 7.19 6.10 2zx9B1 GLU 281 H 0.54 0.42 0.28 -0.55 8.60 9.30 2zx9B1 GLU 281 HA -0.16 0.16 0.96 -0.75 4.29 4.50 2zx9B1 GLU 281 HB2 0.22 0.06 -0.35 -0.04 2.09 1.98 2zx9B1 GLU 281 HB3 0.46 -0.11 -0.00 -0.04 1.99 2.29 2zx9B1 GLU 281 HG2 0.19 0.03 -0.34 -0.04 2.34 2.18 2zx9B1 GLU 281 HG3 0.11 0.05 -0.26 -0.04 2.34 2.19 2zx9B1 PHE 282 H -0.06 0.79 0.35 -0.55 8.34 8.87 2zx9B1 PHE 282 HA 0.34 0.20 1.02 -0.75 4.62 5.42 2zx9B1 PHE 282 HB2 0.21 0.04 0.03 -0.04 3.15 3.39 2zx9B1 PHE 282 HB3 -0.01 0.00 0.14 -0.04 3.06 3.15 2zx9B1 PHE 282 HD2 0.27 0.00 -0.15 -0.04 7.28 7.37 2zx9B1 PHE 282 HE2 0.10 0.10 -0.13 -0.04 7.38 7.41 2zx9B1 PHE 282 HZ -0.12 -0.11 -0.09 -0.04 7.32 6.96 2zx9B1 THR 283 H -0.12 0.63 0.42 -0.55 8.28 8.67 2zx9B1 THR 283 HA -0.21 0.38 1.03 -0.75 4.39 4.83 2zx9B1 THR 283 HB 0.21 -0.01 -0.14 -0.04 4.32 4.33 2zx9B1 THR 283 HG23 0.45 -0.01 -0.08 -0.04 1.22 1.53 2zx9B1 ARG 284 H -0.26 0.51 0.33 -0.55 8.46 8.48 2zx9B1 ARG 284 HA -0.82 -0.05 0.36 -0.75 4.34 3.07 2zx9B1 ARG 284 HB2 -1.23 0.08 0.17 -0.04 1.90 0.88 2zx9B1 ARG 284 HB3 -1.18 -0.01 0.16 -0.04 1.80 0.72 2zx9B1 ARG 284 HG2 -0.61 -0.02 -0.27 -0.04 1.67 0.72 2zx9B1 ARG 284 HG3 -0.35 -0.01 -0.25 -0.04 1.67 1.02 2zx9B1 ARG 284 HD2 0.00 -0.06 -0.07 -0.04 3.22 3.06 2zx9B1 ARG 284 HD3 0.02 -0.03 -0.11 -0.04 3.22 3.06 2zx9B1 GLY 285 H -0.58 0.15 0.05 -0.55 8.43 7.51 2zx9B1 GLY 285 HA2 -0.45 0.11 0.89 -0.51 4.01 4.06 2zx9B1 GLY 285 HA3 -0.52 0.19 0.31 -0.51 4.01 3.48 2zx9B1 ILE 286 H -0.16 0.22 0.21 -0.55 8.25 7.97 2zx9B1 ILE 286 HA -0.08 0.09 0.50 -0.75 4.18 3.93 2zx9B1 ILE 286 HB -0.06 -0.09 0.12 -0.04 1.89 1.81 2zx9B1 ILE 286 HG12 -0.07 0.02 0.00 -0.04 1.49 1.40 2zx9B1 ILE 286 HG13 -0.10 0.27 0.18 -0.04 1.21 1.51 2zx9B1 ILE 286 HG23 -0.04 -0.01 0.04 -0.04 0.93 0.88 2zx9B1 ILE 286 HD13 -0.05 -0.03 0.03 -0.04 0.88 0.79 2zx9B1 GLY 287 H -0.10 -0.04 -0.21 -0.55 8.43 7.54 2zx9B1 GLY 287 HA2 0.01 0.38 0.68 -0.51 4.01 4.56 2zx9B1 GLY 287 HA3 -0.04 -0.13 0.24 -0.51 4.01 3.58 2zx9B1 LEU 288 H -0.07 0.07 0.07 -0.55 8.37 7.90 2zx9B1 LEU 288 HA -0.06 0.19 0.71 -0.75 4.35 4.43 2zx9B1 LEU 288 HB2 -0.15 -0.03 -0.02 -0.04 1.64 1.39 2zx9B1 LEU 288 HB3 -0.15 0.08 0.01 -0.04 1.64 1.55 2zx9B1 LEU 288 HG -0.02 0.03 -0.04 -0.04 1.64 1.57 2zx9B1 LEU 288 HD13 -0.09 -0.04 -0.09 -0.04 0.93 0.67 2zx9B1 LEU 288 HD23 0.01 0.03 -0.22 -0.04 0.89 0.66 2zx9B1 SER 289 H -0.12 0.03 -0.06 -0.55 8.46 7.75 2zx9B1 SER 289 HA -0.04 0.06 0.67 -0.75 4.49 4.43 2zx9B1 SER 289 HB2 -0.11 0.40 0.07 -0.04 3.95 4.26 2zx9B1 SER 289 HB3 -0.12 -0.01 -0.01 -0.04 3.93 3.74 2zx9B1 PHE 290 H -0.09 -0.13 0.12 -0.55 8.34 7.69 2zx9B1 PHE 290 HA -0.33 0.20 0.67 -0.75 4.62 4.40 2zx9B1 PHE 290 HB2 -0.66 -0.17 0.08 -0.04 3.15 2.36 2zx9B1 PHE 290 HB3 -1.37 0.01 -0.11 -0.04 3.06 1.56 2zx9B1 PHE 290 HD2 -1.03 -0.05 -0.14 -0.04 7.28 6.01 2zx9B1 PHE 290 HE2 -0.10 0.07 -0.16 -0.04 7.38 7.15 2zx9B1 PHE 290 HZ -0.06 0.09 -0.26 -0.04 7.32 7.05 2zx9B1 GLY 291 H -0.00 -0.24 0.09 -0.55 8.43 7.73 2zx9B1 GLY 291 HA2 0.26 0.29 0.44 -0.51 4.01 4.48 2zx9B1 GLY 291 HA3 0.17 -0.09 0.16 -0.51 4.01 3.74 2zx9B1 TYR 292 H 0.30 0.21 0.05 -0.55 8.29 8.30 2zx9B1 TYR 292 HA 0.00 0.03 0.34 -0.75 4.56 4.17 2zx9B1 TYR 292 HB2 0.06 0.38 -0.18 -0.04 3.06 3.29 2zx9B1 TYR 292 HB3 0.09 -0.04 0.07 -0.04 2.98 3.06 2zx9B1 TYR 292 HD2 0.03 0.05 0.03 -0.04 7.15 7.22 2zx9B1 TYR 292 HE2 0.04 0.02 -0.02 -0.04 6.85 6.86 2zx9B1 ASN 293 H -0.29 0.20 0.09 -0.55 8.53 7.99 2zx9B1 ASN 293 HA -0.40 0.22 0.47 -0.75 4.76 4.30 2zx9B1 ASN 293 HB2 -0.21 0.03 -0.15 -0.04 2.88 2.51 2zx9B1 ASN 293 HB3 -0.25 -0.05 0.12 -0.04 2.79 2.57 2zx9B1 ASN 293 HD21 -0.50 0.34 -0.13 -0.04 7.03 6.70 2zx9B1 ASN 293 HD22 -0.33 -0.02 -0.12 -0.04 7.74 7.23 2zx9B1 ARG 294 H -0.51 0.91 0.29 -0.55 8.46 8.59 2zx9B1 ARG 294 HA -0.27 0.05 0.55 -0.75 4.34 3.93 2zx9B1 ARG 294 HB2 0.02 -0.02 0.18 -0.04 1.90 2.03 2zx9B1 ARG 294 HB3 -0.02 -0.04 0.15 -0.04 1.80 1.85 2zx9B1 ARG 294 HG2 -0.12 0.76 0.33 -0.04 1.67 2.60 2zx9B1 ARG 294 HG3 -0.06 -0.14 0.04 -0.04 1.67 1.47 2zx9B1 ARG 294 HD2 0.26 0.12 -0.01 -0.04 3.22 3.55 2zx9B1 ARG 294 HD3 0.19 -0.08 -0.00 -0.04 3.22 3.29 2zx9B1 ASN 295 H -0.38 -0.05 -0.42 -0.55 8.53 7.14 2zx9B1 ASN 295 HA -0.16 0.21 0.78 -0.75 4.76 4.84 2zx9B1 ASN 295 HB2 -0.55 0.01 0.10 -0.04 2.88 2.39 2zx9B1 ASN 295 HB3 -0.38 -0.02 0.11 -0.04 2.79 2.46 2zx9B1 ASN 295 HD21 -2.10 -0.06 -0.07 -0.04 7.03 4.76 2zx9B1 ASN 295 HD22 -1.43 0.77 0.13 -0.04 7.74 7.18 2zx9B1 GLU 296 H -0.21 0.28 -0.21 -0.55 8.60 7.92 2zx9B1 GLU 296 HA -0.10 0.11 0.76 -0.75 4.29 4.30 2zx9B1 GLU 296 HB2 -0.06 0.04 0.11 -0.04 2.09 2.14 2zx9B1 GLU 296 HB3 0.01 0.02 0.03 -0.04 1.99 2.01 2zx9B1 GLU 296 HG2 -0.32 0.04 -0.04 -0.04 2.34 1.97 2zx9B1 GLU 296 HG3 -0.23 0.00 0.07 -0.04 2.34 2.15 2zx9B1 GLY 297 H 0.66 0.10 0.19 -0.55 8.43 8.83 2zx9B1 GLY 297 HA2 0.04 0.26 0.82 -0.51 4.01 4.61 2zx9B1 GLY 297 HA3 0.01 0.05 0.37 -0.51 4.01 3.93 2zx9B1 PRO 298 HA -0.02 0.10 0.53 -0.51 4.44 4.55 2zx9B1 PRO 298 HB2 -0.03 0.08 0.06 -0.04 2.28 2.34 2zx9B1 PRO 298 HB3 -0.02 0.02 0.12 -0.04 2.02 2.10 2zx9B1 PRO 298 HG2 -0.05 0.05 0.04 -0.04 2.03 2.03 2zx9B1 PRO 298 HG3 -0.02 0.07 0.08 -0.04 2.03 2.11 2zx9B1 PRO 298 HD2 -0.02 0.11 0.23 -0.04 3.68 3.95 2zx9B1 PRO 298 HD3 -0.00 0.13 0.17 -0.04 3.65 3.91 2zx9B1 GLU 299 H -0.16 0.03 -0.38 -0.55 8.60 7.54 2zx9B1 GLU 299 HA -0.14 0.10 0.35 -0.75 4.29 3.85 2zx9B1 GLU 299 HB2 -0.72 0.02 -0.18 -0.04 2.09 1.17 2zx9B1 GLU 299 HB3 -0.23 0.04 0.09 -0.04 1.99 1.85 2zx9B1 GLU 299 HG2 -0.19 0.05 0.02 -0.04 2.34 2.17 2zx9B1 GLU 299 HG3 -0.14 0.00 0.04 -0.04 2.34 2.19 2zx9B1 HIS 300 H -0.12 0.29 -0.37 -0.55 8.41 7.67 2zx9B1 HIS 300 HA -0.03 0.20 0.83 -0.75 4.63 4.87 2zx9B1 HIS 300 HB2 -0.06 -0.01 0.05 -0.04 3.26 3.19 2zx9B1 HIS 300 HB3 -0.07 -0.06 0.10 -0.04 3.20 3.13 2zx9B1 HIS 300 HD2 -0.06 0.10 -0.04 -0.04 6.97 6.93 2zx9B1 HIS 300 HE1 -0.08 0.12 0.09 -0.04 7.75 7.83 2zx9B1 MET 301 H 0.00 0.06 -0.16 -0.55 8.47 7.83 2zx9B1 MET 301 HA 0.01 0.27 0.88 -0.75 4.52 4.93 2zx9B1 MET 301 HB2 -0.01 -0.06 0.10 -0.04 2.15 2.14 2zx9B1 MET 301 HB3 -0.02 0.13 0.08 -0.04 2.03 2.18 2zx9B1 MET 301 HG2 -0.01 -0.07 -0.41 -0.04 2.63 2.10 2zx9B1 MET 301 HG3 0.02 -0.13 -0.22 -0.04 2.56 2.18 2zx9B1 MET 301 HE3 -0.01 -0.01 -0.24 -0.04 2.10 1.80 2zx9B1 LEU 302 H -0.02 0.40 0.30 -0.55 8.37 8.50 2zx9B1 LEU 302 HA -0.03 0.09 0.61 -0.75 4.35 4.27 2zx9B1 LEU 302 HB2 -0.05 -0.01 0.08 -0.04 1.64 1.62 2zx9B1 LEU 302 HB3 -0.07 -0.11 -0.01 -0.04 1.64 1.41 2zx9B1 LEU 302 HG -0.00 0.15 0.02 -0.04 1.64 1.77 2zx9B1 LEU 302 HD13 -0.03 -0.01 -0.13 -0.04 0.93 0.72 2zx9B1 LEU 302 HD23 -0.00 -0.01 -0.04 -0.04 0.89 0.79 2zx9B1 SER 303 H -0.08 0.10 0.20 -0.55 8.46 8.13 2zx9B1 SER 303 HA -0.06 0.21 0.75 -0.75 4.49 4.63 2zx9B1 SER 303 HB2 -0.07 0.03 0.11 -0.04 3.95 3.98 2zx9B1 SER 303 HB3 -0.06 0.16 0.08 -0.04 3.93 4.07 2zx9B1 VAL 304 H -0.08 0.23 0.15 -0.55 8.24 7.98 2zx9B1 VAL 304 HA -0.13 0.11 0.37 -0.75 4.13 3.73 2zx9B1 VAL 304 HB -0.08 0.00 0.08 -0.04 2.12 2.08 2zx9B1 VAL 304 HG13 -0.06 0.03 -0.10 -0.04 0.97 0.80 2zx9B1 VAL 304 HG23 -0.04 0.03 0.15 -0.04 0.95 1.05 2zx9B1 GLU 305 H -0.19 0.03 -0.43 -0.55 8.60 7.46 2zx9B1 GLU 305 HA -0.52 0.10 0.37 -0.75 4.29 3.48 2zx9B1 GLU 305 HB2 -0.26 -0.07 0.07 -0.04 2.09 1.80 2zx9B1 GLU 305 HB3 -0.59 0.09 -0.01 -0.04 1.99 1.43 2zx9B1 GLU 305 HG2 -0.11 0.09 0.02 -0.04 2.34 2.30 2zx9B1 GLU 305 HG3 -0.18 0.04 0.00 -0.04 2.34 2.16 2zx9B1 GLN 306 H -0.26 0.12 0.02 -0.55 8.47 7.81 2zx9B1 GLN 306 HA -0.23 0.08 0.44 -0.75 4.36 3.89 2zx9B1 GLN 306 HB2 -0.11 -0.09 0.20 -0.04 2.15 2.11 2zx9B1 GLN 306 HB3 -0.06 0.07 0.07 -0.04 2.02 2.05 2zx9B1 GLN 306 HG2 -0.03 0.07 0.06 -0.04 2.40 2.46 2zx9B1 GLN 306 HG3 -0.12 -0.09 0.12 -0.04 2.39 2.26 2zx9B1 GLN 306 HE21 -0.01 0.07 0.02 -0.04 6.97 7.01 2zx9B1 GLN 306 HE22 0.00 0.02 0.02 -0.04 7.69 7.69 2zx9B1 LEU 307 H -0.21 0.50 -0.28 -0.55 8.37 7.83 2zx9B1 LEU 307 HA -0.14 0.03 0.31 -0.75 4.35 3.79 2zx9B1 LEU 307 HB2 -0.15 -0.07 -0.15 -0.04 1.64 1.24 2zx9B1 LEU 307 HB3 -0.21 0.13 0.06 -0.04 1.64 1.58 2zx9B1 LEU 307 HG -0.20 0.03 -0.07 -0.04 1.64 1.36 2zx9B1 LEU 307 HD13 -0.09 -0.01 -0.07 -0.04 0.93 0.72 2zx9B1 LEU 307 HD23 -0.10 -0.02 -0.07 -0.04 0.89 0.66 2zx9B1 VAL 308 H -0.43 0.64 -0.09 -0.55 8.24 7.82 2zx9B1 VAL 308 HA -0.62 0.04 0.40 -0.75 4.13 3.19 2zx9B1 VAL 308 HB -0.75 0.08 0.20 -0.04 2.12 1.61 2zx9B1 VAL 308 HG13 -1.62 -0.02 -0.17 -0.04 0.97 -0.88 2zx9B1 VAL 308 HG23 -0.69 0.02 0.03 -0.04 0.95 0.27 2zx9B1 TYR 309 H -0.54 0.65 -0.02 -0.55 8.29 7.82 2zx9B1 TYR 309 HA -0.26 0.00 0.33 -0.75 4.56 3.88 2zx9B1 TYR 309 HB2 -0.14 0.02 0.12 -0.04 3.06 3.02 2zx9B1 TYR 309 HB3 -0.13 -0.03 -0.01 -0.04 2.98 2.77 2zx9B1 TYR 309 HD2 -0.19 -0.05 -0.07 -0.04 7.15 6.80 2zx9B1 TYR 309 HE2 -0.11 -0.01 -0.12 -0.04 6.85 6.57 2zx9B1 THR 310 H -0.09 0.84 -0.19 -0.55 8.28 8.28 2zx9B1 THR 310 HA -0.02 -0.03 0.39 -0.75 4.39 3.98 2zx9B1 THR 310 HB -0.06 0.12 0.17 -0.04 4.32 4.52 2zx9B1 THR 310 HG23 0.16 -0.02 -0.19 -0.04 1.22 1.12 2zx9B1 LEU 311 H -0.17 0.61 -0.09 -0.55 8.37 8.17 2zx9B1 LEU 311 HA -0.09 -0.04 0.35 -0.75 4.35 3.82 2zx9B1 LEU 311 HB2 -0.28 -0.06 0.10 -0.04 1.64 1.36 2zx9B1 LEU 311 HB3 -0.33 0.13 0.19 -0.04 1.64 1.59 2zx9B1 LEU 311 HG -0.14 0.03 -0.26 -0.04 1.64 1.23 2zx9B1 LEU 311 HD13 -0.13 -0.02 -0.00 -0.04 0.93 0.73 2zx9B1 LEU 311 HD23 -0.24 -0.02 -0.05 -0.04 0.89 0.53 2zx9B1 VAL 312 H -0.21 0.58 -0.06 -0.55 8.24 8.00 2zx9B1 VAL 312 HA -0.07 0.05 0.30 -0.75 4.13 3.66 2zx9B1 VAL 312 HB -0.11 0.01 0.02 -0.04 2.12 2.00 2zx9B1 VAL 312 HG13 -0.08 0.00 -0.19 -0.04 0.97 0.66 2zx9B1 VAL 312 HG23 -0.21 0.05 -0.08 -0.04 0.95 0.67 2zx9B1 ASP 313 H -0.04 0.60 -0.18 -0.55 8.40 8.24 2zx9B1 ASP 313 HA 0.02 -0.00 0.38 -0.75 4.63 4.27 2zx9B1 ASP 313 HB2 -0.01 -0.05 0.07 -0.04 2.71 2.68 2zx9B1 ASP 313 HB3 0.05 0.08 0.11 -0.04 2.70 2.90 2zx9B1 VAL 314 H 0.04 0.60 -0.07 -0.55 8.24 8.26 2zx9B1 VAL 314 HA 0.11 -0.01 0.38 -0.75 4.13 3.85 2zx9B1 VAL 314 HB -0.08 0.14 0.06 -0.04 2.12 2.19 2zx9B1 VAL 314 HG13 -0.60 0.01 -0.47 -0.04 0.97 -0.13 2zx9B1 VAL 314 HG23 0.12 0.03 -0.03 -0.04 0.95 1.03 2zx9B1 VAL 315 H -0.06 0.69 -0.08 -0.55 8.24 8.24 2zx9B1 VAL 315 HA -0.10 0.26 0.32 -0.75 4.13 3.86 2zx9B1 VAL 315 HB -0.04 -0.01 0.06 -0.04 2.12 2.09 2zx9B1 VAL 315 HG13 -0.02 0.00 -0.07 -0.04 0.97 0.84 2zx9B1 VAL 315 HG23 -0.08 0.02 0.03 -0.04 0.95 0.88 2zx9B1 SER 316 H 0.03 0.51 -0.21 -0.55 8.46 8.25 2zx9B1 SER 316 HA 0.10 0.14 0.59 -0.75 4.49 4.57 2zx9B1 SER 316 HB2 0.11 -0.02 0.35 -0.04 3.95 4.34 2zx9B1 SER 316 HB3 0.03 0.07 0.16 -0.04 3.93 4.14 2zx9B1 LYS 317 H 0.13 0.46 -0.35 -0.55 8.42 8.10 2zx9B1 LYS 317 HA 0.16 0.01 0.74 -0.75 4.32 4.47 2zx9B1 LYS 317 HB2 0.48 0.13 0.12 -0.04 1.87 2.56 2zx9B1 LYS 317 HB3 0.27 -0.04 0.11 -0.04 1.79 2.09 2zx9B1 LYS 317 HG2 0.09 -0.16 -0.24 -0.04 1.46 1.11 2zx9B1 LYS 317 HG3 0.14 -0.05 -0.17 -0.04 1.46 1.33 2zx9B1 LYS 317 HD2 0.22 0.15 -0.12 -0.04 1.69 1.90 2zx9B1 LYS 317 HD3 0.23 -0.04 -0.08 -0.04 1.68 1.75 2zx9B1 LYS 317 HE2 0.30 -0.01 -0.08 -0.04 2.99 3.16 2zx9B1 LYS 317 HE3 0.06 -0.05 -0.46 -0.04 2.99 2.50 2zx9B1 GLY 318 H 0.10 0.41 -0.39 -0.55 8.43 8.01 2zx9B1 GLY 318 HA2 0.07 0.04 0.33 -0.51 4.01 3.93 2zx9B1 GLY 318 HA3 0.18 0.07 0.67 -0.51 4.01 4.42 2zx9B1 GLY 319 H -0.25 0.42 -0.15 -0.55 8.43 7.90 2zx9B1 GLY 319 HA2 -0.83 0.23 0.86 -0.51 4.01 3.75 2zx9B1 GLY 319 HA3 -1.85 -0.14 0.18 -0.51 4.01 1.68 2zx9B1 ASN 320 H -0.49 0.24 0.38 -0.55 8.53 8.11 2zx9B1 ASN 320 HA -0.16 0.37 0.79 -0.75 4.76 5.00 2zx9B1 ASN 320 HB2 -0.19 -0.07 0.06 -0.04 2.88 2.63 2zx9B1 ASN 320 HB3 -0.08 -0.13 -0.25 -0.04 2.79 2.30 2zx9B1 ASN 320 HD21 -1.14 0.59 -0.07 -0.04 7.03 6.37 2zx9B1 ASN 320 HD22 -1.11 -0.28 -0.24 -0.04 7.74 6.07 2zx9B1 LEU 321 H 0.00 0.71 0.35 -0.55 8.37 8.89 2zx9B1 LEU 321 HA 0.05 0.15 0.96 -0.75 4.35 4.76 2zx9B1 LEU 321 HB2 0.03 0.03 0.03 -0.04 1.64 1.69 2zx9B1 LEU 321 HB3 0.00 0.07 0.24 -0.04 1.64 1.92 2zx9B1 LEU 321 HG 0.09 -0.11 -0.29 -0.04 1.64 1.29 2zx9B1 LEU 321 HD13 0.08 0.02 -0.17 -0.04 0.93 0.82 2zx9B1 LEU 321 HD23 -0.20 -0.01 -0.04 -0.04 0.89 0.60 2zx9B1 LEU 322 H 0.02 1.01 0.19 -0.55 8.37 9.04 2zx9B1 LEU 322 HA -0.16 0.18 0.74 -0.75 4.35 4.36 2zx9B1 LEU 322 HB2 -0.00 0.02 -0.18 -0.04 1.64 1.44 2zx9B1 LEU 322 HB3 -0.05 0.01 0.01 -0.04 1.64 1.57 2zx9B1 LEU 322 HG -0.46 -0.10 -0.31 -0.04 1.64 0.73 2zx9B1 LEU 322 HD13 -0.36 0.06 -0.53 -0.04 0.93 0.06 2zx9B1 LEU 322 HD23 -1.25 -0.02 -0.21 -0.04 0.89 -0.62 2zx9B1 LEU 323 H 0.08 0.49 0.08 -0.55 8.37 8.47 2zx9B1 LEU 323 HA -0.06 0.09 0.67 -0.75 4.35 4.31 2zx9B1 LEU 323 HB2 0.08 0.02 0.01 -0.04 1.64 1.72 2zx9B1 LEU 323 HB3 0.22 0.03 0.12 -0.04 1.64 1.97 2zx9B1 LEU 323 HG -0.03 0.00 -0.22 -0.04 1.64 1.35 2zx9B1 LEU 323 HD13 -0.09 0.00 -0.12 -0.04 0.93 0.68 2zx9B1 LEU 323 HD23 0.02 -0.00 -0.09 -0.04 0.89 0.77 2zx9B1 ASN 324 H -0.11 0.63 0.40 -0.55 8.53 8.90 2zx9B1 ASN 324 HA 0.04 0.19 0.91 -0.75 4.76 5.14 2zx9B1 ASN 324 HB2 0.14 -0.00 -0.06 -0.04 2.88 2.92 2zx9B1 ASN 324 HB3 -0.36 -0.09 0.08 -0.04 2.79 2.37 2zx9B1 ASN 324 HD21 -0.07 0.19 -0.28 -0.04 7.03 6.82 2zx9B1 ASN 324 HD22 -0.26 -0.09 -0.24 -0.04 7.74 7.11 2zx9B1 VAL 325 H -0.12 0.74 0.40 -0.55 8.24 8.71 2zx9B1 VAL 325 HA -0.12 0.10 0.95 -0.75 4.13 4.31 2zx9B1 VAL 325 HB -0.15 -0.06 0.01 -0.04 2.12 1.88 2zx9B1 VAL 325 HG13 -0.22 0.05 -0.12 -0.04 0.97 0.64 2zx9B1 VAL 325 HG23 -0.33 -0.00 -0.14 -0.04 0.95 0.43 2zx9B1 GLY 326 H -0.06 0.10 0.05 -0.55 8.43 7.98 2zx9B1 GLY 326 HA2 0.04 0.26 0.99 -0.51 4.01 4.79 2zx9B1 GLY 326 HA3 0.07 0.00 0.26 -0.51 4.01 3.83 2zx9B1 PRO 327 HA -0.12 0.10 0.49 -0.51 4.44 4.40 2zx9B1 PRO 327 HB2 -0.57 0.01 -0.11 -0.04 2.28 1.57 2zx9B1 PRO 327 HB3 -0.17 0.08 -0.17 -0.04 2.02 1.72 2zx9B1 PRO 327 HG2 -0.71 0.01 -0.11 -0.04 2.03 1.17 2zx9B1 PRO 327 HG3 -0.73 0.03 -0.16 -0.04 2.03 1.13 2zx9B1 PRO 327 HD2 0.06 0.15 0.06 -0.04 3.68 3.91 2zx9B1 PRO 327 HD3 -0.13 0.46 -0.00 -0.04 3.65 3.93 2zx9B1 LYS 328 H 0.01 0.61 0.25 -0.55 8.42 8.74 2zx9B1 LYS 328 HA -0.09 0.21 0.63 -0.75 4.32 4.32 2zx9B1 LYS 328 HB2 -0.00 0.02 0.13 -0.04 1.87 1.98 2zx9B1 LYS 328 HB3 0.03 -0.14 0.06 -0.04 1.79 1.70 2zx9B1 LYS 328 HG2 -0.44 0.08 0.06 -0.04 1.46 1.13 2zx9B1 LYS 328 HG3 -0.95 0.03 0.03 -0.04 1.46 0.53 2zx9B1 LYS 328 HD2 -0.12 -0.02 -0.12 -0.04 1.69 1.39 2zx9B1 LYS 328 HD3 -0.05 -0.01 -0.02 -0.04 1.68 1.56 2zx9B1 LYS 328 HE2 -0.06 0.08 0.01 -0.04 2.99 2.98 2zx9B1 LYS 328 HE3 -0.23 -0.05 0.00 -0.04 2.99 2.67 2zx9B1 GLY 329 H 0.15 0.39 0.05 -0.55 8.43 8.48 2zx9B1 GLY 329 HA2 0.23 0.05 0.26 -0.51 4.01 4.04 2zx9B1 GLY 329 HA3 0.17 0.12 0.20 -0.51 4.01 3.98 2zx9B1 ASP 330 H 0.21 0.08 -0.36 -0.55 8.40 7.78 2zx9B1 ASP 330 HA 0.19 0.05 0.58 -0.75 4.63 4.70 2zx9B1 ASP 330 HB2 0.13 -0.10 0.11 -0.04 2.71 2.81 2zx9B1 ASP 330 HB3 0.13 0.09 0.04 -0.04 2.70 2.91 2zx9B1 GLY 331 H 0.59 0.69 -0.44 -0.55 8.43 8.73 2zx9B1 GLY 331 HA2 0.45 0.05 0.20 -0.51 4.01 4.20 2zx9B1 GLY 331 HA3 0.48 0.14 0.44 -0.51 4.01 4.56 2zx9B1 THR 332 H 0.22 -0.05 -0.32 -0.55 8.28 7.58 2zx9B1 THR 332 HA 0.27 0.24 0.66 -0.75 4.39 4.81 2zx9B1 THR 332 HB 0.08 0.04 -0.05 -0.04 4.32 4.35 2zx9B1 THR 332 HG23 0.11 0.03 -0.12 -0.04 1.22 1.20 2zx9B1 ILE 333 H 0.09 0.23 0.06 -0.55 8.25 8.08 2zx9B1 ILE 333 HA -0.10 0.13 0.70 -0.75 4.18 4.16 2zx9B1 ILE 333 HB -0.06 0.02 0.10 -0.04 1.89 1.91 2zx9B1 ILE 333 HG12 -0.45 -0.00 -0.19 -0.04 1.49 0.82 2zx9B1 ILE 333 HG13 -0.20 0.03 -0.21 -0.04 1.21 0.79 2zx9B1 ILE 333 HG23 -0.09 0.00 -0.19 -0.04 0.93 0.61 2zx9B1 ILE 333 HD13 -0.69 0.01 -0.09 -0.04 0.88 0.08 2zx9B1 PRO 334 HA -0.03 0.03 0.35 -0.51 4.44 4.28 2zx9B1 PRO 334 HB2 0.05 -0.10 0.05 -0.04 2.28 2.23 2zx9B1 PRO 334 HB3 0.06 0.08 0.09 -0.04 2.02 2.21 2zx9B1 PRO 334 HG2 -0.05 0.12 0.09 -0.04 2.03 2.15 2zx9B1 PRO 334 HG3 -0.48 0.04 0.08 -0.04 2.03 1.63 2zx9B1 PRO 334 HD2 -0.07 0.04 0.06 -0.04 3.68 3.67 2zx9B1 PRO 334 HD3 -0.17 0.18 0.26 -0.04 3.65 3.88 2zx9B1 ASP 335 H 0.01 0.17 0.17 -0.55 8.40 8.22 2zx9B1 ASP 335 HA 0.01 0.10 0.40 -0.75 4.63 4.39 2zx9B1 ASP 335 HB2 0.02 -0.01 0.17 -0.04 2.71 2.85 2zx9B1 ASP 335 HB3 0.01 0.05 0.02 -0.04 2.70 2.74 2zx9B1 LEU 336 H 0.03 0.10 -0.19 -0.55 8.37 7.77 2zx9B1 LEU 336 HA 0.01 0.08 0.38 -0.75 4.35 4.07 2zx9B1 LEU 336 HB2 0.04 -0.01 0.00 -0.04 1.64 1.63 2zx9B1 LEU 336 HB3 0.01 0.05 -0.05 -0.04 1.64 1.62 2zx9B1 LEU 336 HG 0.03 -0.04 0.03 -0.04 1.64 1.62 2zx9B1 LEU 336 HD13 0.03 0.02 -0.08 -0.04 0.93 0.86 2zx9B1 LEU 336 HD23 0.01 0.01 0.02 -0.04 0.89 0.89 2zx9B1 GLN 337 H 0.01 0.34 -0.30 -0.55 8.47 7.96 2zx9B1 GLN 337 HA -0.01 0.12 0.66 -0.75 4.36 4.37 2zx9B1 GLN 337 HB2 -0.03 0.14 0.03 -0.04 2.15 2.25 2zx9B1 GLN 337 HB3 -0.04 0.01 -0.01 -0.04 2.02 1.95 2zx9B1 GLN 337 HG2 -0.02 0.00 0.01 -0.04 2.40 2.35 2zx9B1 GLN 337 HG3 0.02 -0.05 -0.05 -0.04 2.39 2.27 2zx9B1 GLN 337 HE21 0.10 0.29 0.12 -0.04 6.97 7.44 2zx9B1 GLN 337 HE22 0.12 -0.02 0.03 -0.04 7.69 7.78 2zx9B1 LYS 338 H -0.01 0.43 -0.06 -0.55 8.42 8.23 2zx9B1 LYS 338 HA 0.01 0.04 0.37 -0.75 4.32 3.99 2zx9B1 LYS 338 HB2 -0.00 0.10 0.02 -0.04 1.87 1.95 2zx9B1 LYS 338 HB3 0.00 0.03 0.02 -0.04 1.79 1.81 2zx9B1 LYS 338 HG2 0.00 0.01 -0.01 -0.04 1.46 1.43 2zx9B1 LYS 338 HG3 -0.01 -0.02 0.02 -0.04 1.46 1.41 2zx9B1 LYS 338 HD2 0.00 0.04 0.01 -0.04 1.69 1.70 2zx9B1 LYS 338 HD3 0.01 -0.02 -0.01 -0.04 1.68 1.62 2zx9B1 LYS 338 HE2 -0.00 0.01 -0.01 -0.04 2.99 2.95 2zx9B1 LYS 338 HE3 0.02 -0.02 -0.01 -0.04 2.99 2.94 2zx9B1 GLU 339 H 0.00 0.52 -0.20 -0.55 8.60 8.38 2zx9B1 GLU 339 HA 0.01 0.06 0.48 -0.75 4.29 4.09 2zx9B1 GLU 339 HB2 0.00 0.10 0.11 -0.04 2.09 2.26 2zx9B1 GLU 339 HB3 0.00 -0.03 0.01 -0.04 1.99 1.93 2zx9B1 GLU 339 HG2 0.01 0.00 0.03 -0.04 2.34 2.34 2zx9B1 GLU 339 HG3 0.01 -0.02 0.03 -0.04 2.34 2.32 2zx9B1 ARG 340 H -0.01 0.31 -0.21 -0.55 8.46 8.01 2zx9B1 ARG 340 HA -0.02 -0.05 0.57 -0.75 4.34 4.09 2zx9B1 ARG 340 HB2 -0.02 0.12 0.21 -0.04 1.90 2.16 2zx9B1 ARG 340 HB3 -0.04 -0.02 0.02 -0.04 1.80 1.72 2zx9B1 ARG 340 HG2 -0.04 -0.19 0.08 -0.04 1.67 1.48 2zx9B1 ARG 340 HG3 -0.02 -0.06 0.10 -0.04 1.67 1.65 2zx9B1 ARG 340 HD2 -0.02 0.12 0.10 -0.04 3.22 3.38 2zx9B1 ARG 340 HD3 -0.04 -0.01 0.07 -0.04 3.22 3.20 2zx9B1 LEU 341 H 0.01 0.48 -0.19 -0.55 8.37 8.12 2zx9B1 LEU 341 HA 0.06 0.06 0.43 -0.75 4.35 4.14 2zx9B1 LEU 341 HB2 0.05 0.05 0.15 -0.04 1.64 1.85 2zx9B1 LEU 341 HB3 0.11 0.04 -0.09 -0.04 1.64 1.66 2zx9B1 LEU 341 HG 0.02 0.01 -0.04 -0.04 1.64 1.59 2zx9B1 LEU 341 HD13 0.08 -0.03 -0.13 -0.04 0.93 0.81 2zx9B1 LEU 341 HD23 0.12 0.01 -0.06 -0.04 0.89 0.92 2zx9B1 LEU 342 H 0.04 0.53 -0.08 -0.55 8.37 8.31 2zx9B1 LEU 342 HA 0.06 0.10 0.39 -0.75 4.35 4.15 2zx9B1 LEU 342 HB2 0.03 0.04 0.16 -0.04 1.64 1.83 2zx9B1 LEU 342 HB3 0.03 -0.03 0.02 -0.04 1.64 1.62 2zx9B1 LEU 342 HG 0.03 0.19 0.14 -0.04 1.64 1.96 2zx9B1 LEU 342 HD13 0.02 -0.05 -0.06 -0.04 0.93 0.80 2zx9B1 LEU 342 HD23 0.04 -0.00 -0.05 -0.04 0.89 0.84 2zx9B1 GLY 343 H 0.02 0.60 -0.13 -0.55 8.43 8.38 2zx9B1 GLY 343 HA2 0.04 0.01 0.45 -0.51 4.01 4.01 2zx9B1 GLY 343 HA3 0.01 -0.03 0.37 -0.51 4.01 3.85 2zx9B1 LEU 344 H 0.01 0.47 -0.09 -0.55 8.37 8.21 2zx9B1 LEU 344 HA 0.04 -0.09 0.38 -0.75 4.35 3.92 2zx9B1 LEU 344 HB2 -0.11 -0.10 0.12 -0.04 1.64 1.51 2zx9B1 LEU 344 HB3 -0.01 0.19 0.16 -0.04 1.64 1.94 2zx9B1 LEU 344 HG -0.22 0.21 -0.16 -0.04 1.64 1.43 2zx9B1 LEU 344 HD13 -0.18 -0.04 -0.01 -0.04 0.93 0.65 2zx9B1 LEU 344 HD23 -0.45 -0.03 -0.07 -0.04 0.89 0.30 2zx9B1 GLY 345 H 0.10 0.50 -0.13 -0.55 8.43 8.35 2zx9B1 GLY 345 HA2 0.18 0.23 0.32 -0.51 4.01 4.23 2zx9B1 GLY 345 HA3 0.13 0.14 0.47 -0.51 4.01 4.24 2zx9B1 GLU 346 H 0.10 0.60 -0.17 -0.55 8.60 8.59 2zx9B1 GLU 346 HA 0.06 0.01 0.42 -0.75 4.29 4.02 2zx9B1 GLU 346 HB2 0.09 0.28 0.32 -0.04 2.09 2.74 2zx9B1 GLU 346 HB3 0.10 -0.10 -0.02 -0.04 1.99 1.93 2zx9B1 GLU 346 HG2 0.04 -0.06 0.03 -0.04 2.34 2.31 2zx9B1 GLU 346 HG3 0.04 0.01 0.06 -0.04 2.34 2.40 2zx9B1 TRP 347 H 0.29 0.48 0.04 -0.55 7.97 8.23 2zx9B1 TRP 347 HA 0.10 -0.02 0.52 -0.75 4.62 4.47 2zx9B1 TRP 347 HB2 0.02 -0.03 0.09 -0.04 3.23 3.27 2zx9B1 TRP 347 HB3 -0.01 0.13 0.14 -0.04 3.23 3.45 2zx9B1 TRP 347 HD1 0.14 -0.07 0.07 -0.04 7.22 7.32 2zx9B1 TRP 347 HE1 -0.34 -0.14 0.05 -0.04 10.20 9.73 2zx9B1 TRP 347 HE3 -0.07 0.14 -0.23 -0.04 7.59 7.40 2zx9B1 TRP 347 HZ2 -0.38 0.01 -0.10 -0.04 7.44 6.93 2zx9B1 TRP 347 HZ3 -0.17 0.08 -0.16 -0.04 7.13 6.83 2zx9B1 TRP 347 HH2 -0.20 0.10 -0.16 -0.04 7.19 6.89 2zx9B1 LEU 348 H 0.30 0.70 -0.15 -0.55 8.37 8.67 2zx9B1 LEU 348 HA -0.13 -0.09 0.37 -0.75 4.35 3.75 2zx9B1 LEU 348 HB2 0.19 0.28 0.16 -0.04 1.64 2.24 2zx9B1 LEU 348 HB3 0.20 -0.02 0.03 -0.04 1.64 1.80 2zx9B1 LEU 348 HG 0.36 -0.10 0.02 -0.04 1.64 1.88 2zx9B1 LEU 348 HD13 0.09 0.05 -0.01 -0.04 0.93 1.02 2zx9B1 LEU 348 HD23 -0.22 -0.03 0.00 -0.04 0.89 0.61 2zx9B1 ARG 349 H 0.03 0.38 -0.36 -0.55 8.46 7.96 2zx9B1 ARG 349 HA 0.02 0.03 0.44 -0.75 4.34 4.08 2zx9B1 ARG 349 HB2 0.03 0.14 0.16 -0.04 1.90 2.18 2zx9B1 ARG 349 HB3 -0.03 0.12 0.18 -0.04 1.80 2.04 2zx9B1 ARG 349 HG2 -0.04 -0.03 -0.03 -0.04 1.67 1.54 2zx9B1 ARG 349 HG3 0.00 -0.01 0.08 -0.04 1.67 1.69 2zx9B1 ARG 349 HD2 -0.01 -0.06 0.01 -0.04 3.22 3.11 2zx9B1 ARG 349 HD3 0.01 0.02 0.02 -0.04 3.22 3.22 2zx9B1 LYS 350 H -0.25 0.32 -0.22 -0.55 8.42 7.72 2zx9B1 LYS 350 HA -0.29 0.09 0.59 -0.75 4.32 3.96 2zx9B1 LYS 350 HB2 -0.75 0.03 0.23 -0.04 1.87 1.34 2zx9B1 LYS 350 HB3 -0.84 -0.08 0.07 -0.04 1.79 0.90 2zx9B1 LYS 350 HG2 -0.21 -0.02 0.02 -0.04 1.46 1.21 2zx9B1 LYS 350 HG3 -0.17 0.13 0.06 -0.04 1.46 1.44 2zx9B1 LYS 350 HD2 -0.05 -0.02 -0.01 -0.04 1.69 1.57 2zx9B1 LYS 350 HD3 -0.08 -0.07 0.04 -0.04 1.68 1.52 2zx9B1 LYS 350 HE2 -0.26 -0.05 0.05 -0.04 2.99 2.69 2zx9B1 LYS 350 HE3 -0.11 0.02 0.02 -0.04 2.99 2.88 2zx9B1 TYR 351 H -0.70 0.73 0.16 -0.55 8.29 7.93 2zx9B1 TYR 351 HA -0.24 0.18 0.85 -0.75 4.56 4.59 2zx9B1 TYR 351 HB2 -2.46 0.07 0.01 -0.04 3.06 0.64 2zx9B1 TYR 351 HB3 -0.96 -0.03 0.05 -0.04 2.98 2.00 2zx9B1 TYR 351 HD2 -1.34 0.06 0.02 -0.04 7.15 5.85 2zx9B1 TYR 351 HE2 0.04 -0.13 0.10 -0.04 6.85 6.81 2zx9B1 GLY 352 H -0.22 0.61 -0.13 -0.55 8.43 8.16 2zx9B1 GLY 352 HA2 -0.34 -0.05 0.32 -0.51 4.01 3.43 2zx9B1 GLY 352 HA3 0.06 0.19 0.36 -0.51 4.01 4.10 2zx9B1 ASP 353 H 0.01 0.14 -0.48 -0.55 8.40 7.52 2zx9B1 ASP 353 HA 0.05 0.12 0.39 -0.75 4.63 4.43 2zx9B1 ASP 353 HB2 0.20 0.02 0.00 -0.04 2.71 2.90 2zx9B1 ASP 353 HB3 0.23 0.00 -0.13 -0.04 2.70 2.76 2zx9B1 ALA 354 H -0.53 0.60 -0.26 -0.55 8.40 7.66 2zx9B1 ALA 354 HA -2.07 0.12 0.53 -0.75 4.34 2.16 2zx9B1 ALA 354 HB3 -1.15 -0.03 0.00 -0.04 1.41 0.19 2zx9B1 ILE 355 H -0.25 0.40 -0.47 -0.55 8.25 7.39 2zx9B1 ILE 355 HA -0.11 0.16 0.85 -0.75 4.18 4.33 2zx9B1 ILE 355 HB -0.42 -0.01 0.13 -0.04 1.89 1.56 2zx9B1 ILE 355 HG12 -0.17 -0.05 -0.56 -0.04 1.49 0.67 2zx9B1 ILE 355 HG13 0.10 -0.10 -0.21 -0.04 1.21 0.96 2zx9B1 ILE 355 HG23 -0.23 0.00 -0.16 -0.04 0.93 0.50 2zx9B1 ILE 355 HD13 0.01 0.04 -0.09 -0.04 0.88 0.80 2zx9B1 TYR 356 H -0.25 0.24 0.23 -0.55 8.29 7.96 2zx9B1 TYR 356 HA 0.04 0.23 0.51 -0.75 4.56 4.58 2zx9B1 TYR 356 HB2 0.03 -0.03 0.02 -0.04 3.06 3.04 2zx9B1 TYR 356 HB3 0.06 -0.00 0.09 -0.04 2.98 3.08 2zx9B1 TYR 356 HD2 0.05 -0.03 0.07 -0.04 7.15 7.21 2zx9B1 TYR 356 HE2 0.10 0.04 0.09 -0.04 6.85 7.04 2zx9B1 GLY 357 H 0.16 0.46 0.29 -0.55 8.43 8.79 2zx9B1 GLY 357 HA2 0.10 -0.08 0.38 -0.51 4.01 3.90 2zx9B1 GLY 357 HA3 0.12 -0.06 0.41 -0.51 4.01 3.96 2zx9B1 THR 358 H 0.08 0.46 -0.45 -0.55 8.28 7.82 2zx9B1 THR 358 HA 0.13 0.14 0.92 -0.75 4.39 4.84 2zx9B1 THR 358 HB 0.17 -0.08 0.17 -0.04 4.32 4.55 2zx9B1 THR 358 HG23 0.11 0.01 -0.45 -0.04 1.22 0.85 2zx9B1 SER 359 H 0.13 0.39 0.30 -0.55 8.46 8.73 2zx9B1 SER 359 HA 0.09 0.22 0.89 -0.75 4.49 4.92 2zx9B1 SER 359 HB2 0.10 -0.10 0.03 -0.04 3.95 3.94 2zx9B1 SER 359 HB3 0.09 -0.00 0.10 -0.04 3.93 4.08 2zx9B1 VAL 360 H 0.10 0.10 0.14 -0.55 8.24 8.02 2zx9B1 VAL 360 HA 0.17 0.16 0.54 -0.75 4.13 4.24 2zx9B1 VAL 360 HB 0.12 0.02 0.05 -0.04 2.12 2.27 2zx9B1 VAL 360 HG13 0.11 0.03 -0.07 -0.04 0.97 0.99 2zx9B1 VAL 360 HG23 0.07 0.02 -0.08 -0.04 0.95 0.91 2zx9B1 TRP 361 H 0.31 0.20 0.02 -0.55 7.97 7.94 2zx9B1 TRP 361 HA -0.00 0.16 0.71 -0.75 4.62 4.73 2zx9B1 TRP 361 HB2 0.05 0.05 -0.14 -0.04 3.23 3.15 2zx9B1 TRP 361 HB3 0.00 0.23 0.14 -0.04 3.23 3.56 2zx9B1 TRP 361 HD1 -0.04 0.11 -0.01 -0.04 7.22 7.24 2zx9B1 TRP 361 HE1 -0.09 -0.01 -0.03 -0.04 10.20 10.03 2zx9B1 TRP 361 HE3 -0.60 0.30 0.05 -0.04 7.59 7.29 2zx9B1 TRP 361 HZ2 -0.17 -0.05 -0.00 -0.04 7.44 7.18 2zx9B1 TRP 361 HZ3 -1.38 0.03 -0.09 -0.04 7.13 5.66 2zx9B1 TRP 361 HH2 -0.36 -0.00 -0.03 -0.04 7.19 6.76 2zx9B1 GLU 362 H -1.70 0.07 0.16 -0.55 8.60 6.59 2zx9B1 GLU 362 HA -0.33 0.18 0.69 -0.75 4.29 4.07 2zx9B1 GLU 362 HB2 -1.20 -0.03 0.07 -0.04 2.09 0.89 2zx9B1 GLU 362 HB3 -0.50 -0.01 0.08 -0.04 1.99 1.53 2zx9B1 GLU 362 HG2 -0.61 0.05 -0.12 -0.04 2.34 1.62 2zx9B1 GLU 362 HG3 -1.23 -0.03 0.03 -0.04 2.34 1.08 2zx9B1 ARG 363 H -0.40 0.11 0.11 -0.55 8.46 7.72 2zx9B1 ARG 363 HA -0.04 0.18 0.75 -0.75 4.34 4.47 2zx9B1 ARG 363 HB2 0.01 -0.01 0.16 -0.04 1.90 2.02 2zx9B1 ARG 363 HB3 -0.20 0.01 -0.11 -0.04 1.80 1.47 2zx9B1 ARG 363 HG2 -0.29 -0.10 -0.03 -0.04 1.67 1.20 2zx9B1 ARG 363 HG3 0.28 0.02 -0.40 -0.04 1.67 1.53 2zx9B1 ARG 363 HD2 0.27 0.04 -0.09 -0.04 3.22 3.40 2zx9B1 ARG 363 HD3 0.09 0.06 0.08 -0.04 3.22 3.40 2zx9B1 CYS 364 H 0.12 0.08 0.20 -0.55 8.50 8.35 2zx9B1 CYS 364 HA 0.28 0.26 0.76 -0.75 4.58 5.13 2zx9B1 CYS 364 HB2 0.12 0.07 -0.09 -0.04 2.97 3.04 2zx9B1 CYS 364 HB3 0.11 0.06 0.04 -0.04 2.97 3.14 2zx9B1 CYS 365 H 0.20 -0.04 0.12 -0.55 8.50 8.23 2zx9B1 CYS 365 HA 0.05 0.52 1.14 -0.75 4.58 5.53 2zx9B1 CYS 365 HB2 0.06 -0.07 0.06 -0.04 2.97 2.99 2zx9B1 CYS 365 HB3 0.02 0.03 0.07 -0.04 2.97 3.06 2zx9B1 ALA 366 H -0.06 0.61 0.44 -0.55 8.40 8.84 2zx9B1 ALA 366 HA 0.09 0.12 0.58 -0.75 4.34 4.39 2zx9B1 ALA 366 HB3 0.21 0.02 -0.15 -0.04 1.41 1.45 2zx9B1 LYS 367 H 0.02 0.33 0.21 -0.55 8.42 8.42 2zx9B1 LYS 367 HA -0.09 0.16 0.59 -0.75 4.32 4.22 2zx9B1 LYS 367 HB2 -0.03 0.11 0.04 -0.04 1.87 1.95 2zx9B1 LYS 367 HB3 -0.03 0.05 -0.10 -0.04 1.79 1.67 2zx9B1 LYS 367 HG2 0.00 -0.05 -0.07 -0.04 1.46 1.31 2zx9B1 LYS 367 HG3 0.00 0.01 -0.22 -0.04 1.46 1.21 2zx9B1 LYS 367 HD2 -0.01 0.02 -0.07 -0.04 1.69 1.59 2zx9B1 LYS 367 HD3 -0.01 0.02 -0.08 -0.04 1.68 1.56 2zx9B1 LYS 367 HE2 0.00 -0.01 -0.06 -0.04 2.99 2.88 2zx9B1 LYS 367 HE3 0.00 -0.03 -0.07 -0.04 2.99 2.86 2zx9B1 THR 368 H -0.01 0.65 0.22 -0.55 8.28 8.60 2zx9B1 THR 368 HA 0.05 0.17 0.97 -0.75 4.39 4.84 2zx9B1 THR 368 HB 0.09 -0.06 0.15 -0.04 4.32 4.45 2zx9B1 THR 368 HG23 0.21 0.03 -0.14 -0.04 1.22 1.28 2zx9B1 GLU 369 H 0.05 0.84 0.40 -0.55 8.60 9.35 2zx9B1 GLU 369 HA 0.02 0.07 0.44 -0.75 4.29 4.07 2zx9B1 GLU 369 HB2 0.04 0.04 0.16 -0.04 2.09 2.28 2zx9B1 GLU 369 HB3 0.04 -0.08 0.18 -0.04 1.99 2.09 2zx9B1 GLU 369 HG2 0.02 0.03 -0.08 -0.04 2.34 2.27 2zx9B1 GLU 369 HG3 0.02 0.01 0.06 -0.04 2.34 2.38 2zx9B1 ASP 370 H 0.04 -0.01 -0.35 -0.55 8.40 7.53 2zx9B1 ASP 370 HA 0.02 0.22 0.76 -0.75 4.63 4.87 2zx9B1 ASP 370 HB2 0.02 0.04 0.18 -0.04 2.71 2.91 2zx9B1 ASP 370 HB3 0.02 -0.00 0.07 -0.04 2.70 2.75 2zx9B1 GLY 371 H 0.01 0.68 -0.27 -0.55 8.43 8.30 2zx9B1 GLY 371 HA2 -0.00 0.05 0.27 -0.51 4.01 3.81 2zx9B1 GLY 371 HA3 -0.00 0.14 0.56 -0.51 4.01 4.19 2zx9B1 THR 372 H 0.02 -0.03 -0.16 -0.55 8.28 7.56 2zx9B1 THR 372 HA -0.03 0.14 0.56 -0.75 4.39 4.31 2zx9B1 THR 372 HB 0.09 -0.15 0.05 -0.04 4.32 4.27 2zx9B1 THR 372 HG23 0.12 0.03 -0.28 -0.04 1.22 1.05 2zx9B1 GLU 373 H -0.12 0.18 0.23 -0.55 8.60 8.35 2zx9B1 GLU 373 HA -0.11 0.17 0.88 -0.75 4.29 4.47 2zx9B1 GLU 373 HB2 -0.18 -0.04 0.18 -0.04 2.09 2.02 2zx9B1 GLU 373 HB3 -0.14 0.09 0.02 -0.04 1.99 1.92 2zx9B1 GLU 373 HG2 -0.08 0.03 0.04 -0.04 2.34 2.30 2zx9B1 GLU 373 HG3 -0.09 -0.01 0.05 -0.04 2.34 2.25 2zx9B1 ILE 374 H -0.20 0.83 0.37 -0.55 8.25 8.70 2zx9B1 ILE 374 HA -0.46 0.26 1.02 -0.75 4.18 4.25 2zx9B1 ILE 374 HB -0.39 -0.11 -0.22 -0.04 1.89 1.13 2zx9B1 ILE 374 HG12 -1.33 0.02 -0.33 -0.04 1.49 -0.19 2zx9B1 ILE 374 HG13 -0.39 -0.07 -0.67 -0.04 1.21 0.04 2zx9B1 ILE 374 HG23 -1.01 0.01 -0.33 -0.04 0.93 -0.45 2zx9B1 ILE 374 HD13 -0.31 -0.03 -0.37 -0.04 0.88 0.13 2zx9B1 ARG 375 H -0.43 0.70 0.36 -0.55 8.46 8.54 2zx9B1 ARG 375 HA -0.21 0.47 1.23 -0.75 4.34 5.08 2zx9B1 ARG 375 HB2 -0.16 -0.06 0.02 -0.04 1.90 1.66 2zx9B1 ARG 375 HB3 -0.07 0.15 0.04 -0.04 1.80 1.87 2zx9B1 ARG 375 HG2 -0.15 -0.14 -0.30 -0.04 1.67 1.03 2zx9B1 ARG 375 HG3 -0.07 -0.03 -0.24 -0.04 1.67 1.29 2zx9B1 ARG 375 HD2 0.00 0.08 -0.02 -0.04 3.22 3.24 2zx9B1 ARG 375 HD3 -0.08 0.20 0.07 -0.04 3.22 3.38 2zx9B1 PHE 376 H 0.12 0.51 0.38 -0.55 8.34 8.80 2zx9B1 PHE 376 HA -0.05 0.34 1.18 -0.75 4.62 5.33 2zx9B1 PHE 376 HB2 0.29 0.15 0.15 -0.04 3.15 3.70 2zx9B1 PHE 376 HB3 -0.10 -0.05 0.09 -0.04 3.06 2.96 2zx9B1 PHE 376 HD2 -0.09 0.07 -0.40 -0.04 7.28 6.82 2zx9B1 PHE 376 HE2 -0.04 -0.01 -0.37 -0.04 7.38 6.91 2zx9B1 PHE 376 HZ 0.01 -0.06 -0.24 -0.04 7.32 6.98 2zx9B1 THR 377 H 0.15 0.38 0.42 -0.55 8.28 8.68 2zx9B1 THR 377 HA 0.19 0.20 0.67 -0.75 4.39 4.70 2zx9B1 THR 377 HB 0.16 0.07 0.06 -0.04 4.32 4.56 2zx9B1 THR 377 HG23 0.06 0.00 -0.20 -0.04 1.22 1.03 2zx9B1 ARG 378 H 0.17 0.61 0.31 -0.55 8.46 9.00 2zx9B1 ARG 378 HA -0.07 0.24 1.16 -0.75 4.34 4.91 2zx9B1 ARG 378 HB2 0.23 -0.05 -0.27 -0.04 1.90 1.77 2zx9B1 ARG 378 HB3 0.15 -0.00 -0.07 -0.04 1.80 1.83 2zx9B1 ARG 378 HG2 0.03 -0.10 -0.04 -0.04 1.67 1.52 2zx9B1 ARG 378 HG3 -0.00 -0.07 -0.06 -0.04 1.67 1.49 2zx9B1 ARG 378 HD2 0.21 0.00 -0.03 -0.04 3.22 3.36 2zx9B1 ARG 378 HD3 0.43 -0.04 -0.03 -0.04 3.22 3.54 2zx9B1 LYS 379 H -0.05 0.45 -0.02 -0.55 8.42 8.25 2zx9B1 LYS 379 HA 0.10 0.12 0.54 -0.75 4.32 4.32 2zx9B1 LYS 379 HB2 0.25 0.03 -0.22 -0.04 1.87 1.89 2zx9B1 LYS 379 HB3 0.09 -0.15 0.17 -0.04 1.79 1.86 2zx9B1 LYS 379 HG2 0.14 -0.12 0.03 -0.04 1.46 1.47 2zx9B1 LYS 379 HG3 0.16 0.19 0.17 -0.04 1.46 1.94 2zx9B1 LYS 379 HD2 0.43 0.04 -0.13 -0.04 1.69 1.99 2zx9B1 LYS 379 HD3 0.36 -0.11 -0.02 -0.04 1.68 1.86 2zx9B1 LYS 379 HE2 0.14 -0.16 -0.04 -0.04 2.99 2.90 2zx9B1 LYS 379 HE3 0.15 0.14 -0.29 -0.04 2.99 2.95 2zx9B1 CYS 380 H 0.05 0.20 0.08 -0.55 8.50 8.28 2zx9B1 CYS 380 HA 0.04 0.05 0.37 -0.75 4.58 4.28 2zx9B1 CYS 380 HB2 0.03 0.14 -0.24 -0.04 2.97 2.86 2zx9B1 CYS 380 HB3 0.02 -0.16 0.28 -0.04 2.97 3.06 2zx9B1 ASN 381 H -0.00 0.13 0.28 -0.55 8.53 8.39 2zx9B1 ASN 381 HA -0.00 0.07 0.55 -0.75 4.76 4.62 2zx9B1 ASN 381 HB2 -0.02 0.06 0.05 -0.04 2.88 2.93 2zx9B1 ASN 381 HB3 0.00 -0.00 0.09 -0.04 2.79 2.84 2zx9B1 ASN 381 HD21 0.01 0.01 0.06 -0.04 7.03 7.07 2zx9B1 ASN 381 HD22 0.01 -0.02 0.06 -0.04 7.74 7.75 2zx9B1 ARG 382 H -0.09 0.52 -0.06 -0.55 8.46 8.28 2zx9B1 ARG 382 HA -0.22 0.18 0.83 -0.75 4.34 4.38 2zx9B1 ARG 382 HB2 -0.34 0.05 0.08 -0.04 1.90 1.65 2zx9B1 ARG 382 HB3 -0.49 0.01 -0.04 -0.04 1.80 1.25 2zx9B1 ARG 382 HG2 -0.09 -0.04 -0.03 -0.04 1.67 1.47 2zx9B1 ARG 382 HG3 -0.07 -0.10 0.10 -0.04 1.67 1.57 2zx9B1 ARG 382 HD2 0.03 -0.06 -0.01 -0.04 3.22 3.14 2zx9B1 ARG 382 HD3 0.03 0.08 0.03 -0.04 3.22 3.32 2zx9B1 ILE 383 H -0.37 0.59 0.31 -0.55 8.25 8.22 2zx9B1 ILE 383 HA -0.47 0.34 1.13 -0.75 4.18 4.42 2zx9B1 ILE 383 HB -0.48 -0.20 0.10 -0.04 1.89 1.28 2zx9B1 ILE 383 HG12 -0.46 0.15 -0.28 -0.04 1.49 0.86 2zx9B1 ILE 383 HG13 -0.28 0.03 -0.35 -0.04 1.21 0.57 2zx9B1 ILE 383 HG23 -1.13 0.01 -0.16 -0.04 0.93 -0.39 2zx9B1 ILE 383 HD13 -0.52 -0.04 -0.07 -0.04 0.88 0.21 2zx9B1 PHE 384 H -0.14 0.95 0.38 -0.55 8.34 8.98 2zx9B1 PHE 384 HA -0.09 0.16 1.01 -0.75 4.62 4.95 2zx9B1 PHE 384 HB2 -0.09 0.04 0.16 -0.04 3.15 3.21 2zx9B1 PHE 384 HB3 -0.17 -0.01 0.01 -0.04 3.06 2.85 2zx9B1 PHE 384 HD2 -0.05 0.04 -0.18 -0.04 7.28 7.06 2zx9B1 PHE 384 HE2 0.14 0.03 -0.21 -0.04 7.38 7.30 2zx9B1 PHE 384 HZ 0.09 0.02 -0.14 -0.04 7.32 7.24 2zx9B1 VAL 385 H 0.06 0.45 0.11 -0.55 8.24 8.31 2zx9B1 VAL 385 HA -0.30 0.21 0.69 -0.75 4.13 3.96 2zx9B1 VAL 385 HB 0.09 -0.17 0.10 -0.04 2.12 2.09 2zx9B1 VAL 385 HG13 -0.29 0.00 -0.19 -0.04 0.97 0.45 2zx9B1 VAL 385 HG23 0.07 0.02 -0.23 -0.04 0.95 0.76 2zx9B1 ILE 386 H -0.33 0.86 0.25 -0.55 8.25 8.49 2zx9B1 ILE 386 HA -0.02 0.14 1.05 -0.75 4.18 4.59 2zx9B1 ILE 386 HB -0.13 0.06 0.06 -0.04 1.89 1.83 2zx9B1 ILE 386 HG12 -0.13 -0.04 -0.12 -0.04 1.49 1.16 2zx9B1 ILE 386 HG13 -0.08 -0.13 -0.44 -0.04 1.21 0.53 2zx9B1 ILE 386 HG23 -0.04 -0.02 -0.25 -0.04 0.93 0.58 2zx9B1 ILE 386 HD13 -0.06 0.05 -0.14 -0.04 0.88 0.68 2zx9B1 PHE 387 H 0.28 0.84 0.33 -0.55 8.34 9.25 2zx9B1 PHE 387 HA -0.17 0.13 0.69 -0.75 4.62 4.52 2zx9B1 PHE 387 HB2 -0.07 -0.05 0.31 -0.04 3.15 3.29 2zx9B1 PHE 387 HB3 -0.09 -0.04 -0.06 -0.04 3.06 2.83 2zx9B1 PHE 387 HD2 -0.07 0.14 -0.14 -0.04 7.28 7.17 2zx9B1 PHE 387 HE2 -0.03 -0.06 -0.19 -0.04 7.38 7.06 2zx9B1 PHE 387 HZ -0.00 -0.04 -0.20 -0.04 7.32 7.04 2zx9B1 LEU 388 H -0.20 0.82 0.30 -0.55 8.37 8.75 2zx9B1 LEU 388 HA -0.49 0.11 0.71 -0.75 4.35 3.92 2zx9B1 LEU 388 HB2 -0.45 -0.11 0.29 -0.04 1.64 1.34 2zx9B1 LEU 388 HB3 -1.22 -0.05 0.16 -0.04 1.64 0.49 2zx9B1 LEU 388 HG -0.27 0.10 -0.11 -0.04 1.64 1.31 2zx9B1 LEU 388 HD13 -0.23 -0.02 -0.03 -0.04 0.93 0.61 2zx9B1 LEU 388 HD23 -0.22 -0.03 -0.34 -0.04 0.89 0.25 2zx9B1 GLY 389 H -0.01 0.55 -0.13 -0.55 8.43 8.30 2zx9B1 GLY 389 HA2 0.13 0.23 0.34 -0.51 4.01 4.20 2zx9B1 GLY 389 HA3 0.00 0.06 0.70 -0.51 4.01 4.26 2zx9B1 ILE 390 H 0.04 0.19 -0.01 -0.55 8.25 7.91 2zx9B1 ILE 390 HA -0.04 0.12 0.81 -0.75 4.18 4.31 2zx9B1 ILE 390 HB 0.03 -0.02 0.01 -0.04 1.89 1.87 2zx9B1 ILE 390 HG12 0.04 -0.03 -0.63 -0.04 1.49 0.83 2zx9B1 ILE 390 HG13 0.08 0.00 -0.84 -0.04 1.21 0.41 2zx9B1 ILE 390 HG23 0.00 0.07 -0.10 -0.04 0.93 0.86 2zx9B1 ILE 390 HD13 0.10 -0.02 -0.63 -0.04 0.88 0.29 2zx9B1 PRO 391 HA -0.00 -0.03 0.36 -0.51 4.44 4.26 2zx9B1 PRO 391 HB2 -0.08 0.15 -0.09 -0.04 2.28 2.22 2zx9B1 PRO 391 HB3 -0.01 -0.06 0.05 -0.04 2.02 1.96 2zx9B1 PRO 391 HG2 -0.26 0.02 -0.05 -0.04 2.03 1.70 2zx9B1 PRO 391 HG3 0.04 -0.01 -0.07 -0.04 2.03 1.94 2zx9B1 PRO 391 HD2 -0.23 0.13 0.05 -0.04 3.68 3.59 2zx9B1 PRO 391 HD3 -0.16 0.20 -0.00 -0.04 3.65 3.65 2zx9B1 THR 392 H -0.00 0.01 0.17 -0.55 8.28 7.91 2zx9B1 THR 392 HA -0.00 0.21 0.56 -0.75 4.39 4.39 2zx9B1 THR 392 HB 0.00 -0.02 -0.00 -0.04 4.32 4.25 2zx9B1 THR 392 HG23 0.00 0.02 0.04 -0.04 1.22 1.24 2zx9B1 GLY 393 H -0.00 0.00 0.05 -0.55 8.43 7.93 2zx9B1 GLY 393 HA2 -0.00 0.10 0.53 -0.51 4.01 4.13 2zx9B1 GLY 393 HA3 0.00 0.00 0.32 -0.51 4.01 3.83 2zx9B1 GLU 394 H -0.00 0.11 0.17 -0.55 8.60 8.33 2zx9B1 GLU 394 HA -0.01 0.31 0.48 -0.75 4.29 4.31 2zx9B1 GLU 394 HB2 0.00 -0.02 0.03 -0.04 2.09 2.06 2zx9B1 GLU 394 HB3 -0.00 -0.05 -0.01 -0.04 1.99 1.89 2zx9B1 GLU 394 HG2 -0.01 0.08 0.12 -0.04 2.34 2.48 2zx9B1 GLU 394 HG3 -0.01 0.01 0.13 -0.04 2.34 2.44 2zx9B1 LYS 395 H 0.01 0.00 -0.28 -0.55 8.42 7.60 2zx9B1 LYS 395 HA 0.03 0.25 0.91 -0.75 4.32 4.76 2zx9B1 LYS 395 HB2 0.02 -0.03 0.00 -0.04 1.87 1.82 2zx9B1 LYS 395 HB3 0.02 -0.05 0.08 -0.04 1.79 1.80 2zx9B1 LYS 395 HG2 0.04 0.05 -0.23 -0.04 1.46 1.28 2zx9B1 LYS 395 HG3 0.03 0.02 -0.07 -0.04 1.46 1.40 2zx9B1 LYS 395 HD2 0.02 -0.01 -0.05 -0.04 1.69 1.61 2zx9B1 LYS 395 HD3 0.03 -0.04 -0.11 -0.04 1.68 1.52 2zx9B1 LYS 395 HE2 0.03 -0.00 -0.11 -0.04 2.99 2.88 2zx9B1 LYS 395 HE3 0.03 0.02 -0.08 -0.04 2.99 2.92 2zx9B1 ILE 396 H 0.05 0.84 0.33 -0.55 8.25 8.92 2zx9B1 ILE 396 HA 0.06 0.10 0.96 -0.75 4.18 4.54 2zx9B1 ILE 396 HB 0.07 0.05 0.08 -0.04 1.89 2.05 2zx9B1 ILE 396 HG12 -0.01 -0.02 -0.14 -0.04 1.49 1.28 2zx9B1 ILE 396 HG13 -0.02 0.04 -0.43 -0.04 1.21 0.76 2zx9B1 ILE 396 HG23 0.24 -0.03 -0.24 -0.04 0.93 0.86 2zx9B1 ILE 396 HD13 -0.27 0.01 -0.14 -0.04 0.88 0.43 2zx9B1 VAL 397 H 0.07 0.13 0.13 -0.55 8.24 8.02 2zx9B1 VAL 397 HA 0.08 0.32 1.11 -0.75 4.13 4.89 2zx9B1 VAL 397 HB 0.05 -0.12 0.21 -0.04 2.12 2.22 2zx9B1 VAL 397 HG13 0.05 0.01 -0.18 -0.04 0.97 0.81 2zx9B1 VAL 397 HG23 0.05 0.02 -0.10 -0.04 0.95 0.87 2zx9B1 ILE 398 H 0.10 0.73 0.27 -0.55 8.25 8.80 2zx9B1 ILE 398 HA 0.07 0.08 0.77 -0.75 4.18 4.34 2zx9B1 ILE 398 HB 0.11 -0.04 0.09 -0.04 1.89 2.01 2zx9B1 ILE 398 HG12 0.12 -0.03 -0.25 -0.04 1.49 1.29 2zx9B1 ILE 398 HG13 0.16 -0.01 -0.19 -0.04 1.21 1.13 2zx9B1 ILE 398 HG23 0.09 0.03 -0.28 -0.04 0.93 0.73 2zx9B1 ILE 398 HD13 0.11 0.01 -0.20 -0.04 0.88 0.75 2zx9B1 GLU 399 H 0.04 0.63 0.40 -0.55 8.60 9.13 2zx9B1 GLU 399 HA 0.05 -0.04 0.48 -0.75 4.29 4.02 2zx9B1 GLU 399 HB2 0.03 0.08 0.09 -0.04 2.09 2.25 2zx9B1 GLU 399 HB3 0.03 0.01 -0.03 -0.04 1.99 1.95 2zx9B1 GLU 399 HG2 0.03 -0.05 -0.01 -0.04 2.34 2.27 2zx9B1 GLU 399 HG3 0.03 -0.06 -0.15 -0.04 2.34 2.13 2zx9B1 ASP 400 H 0.04 0.04 0.11 -0.55 8.40 8.05 2zx9B1 ASP 400 HA 0.03 0.18 0.43 -0.75 4.63 4.52 2zx9B1 ASP 400 HB2 0.04 0.15 0.05 -0.04 2.71 2.90 2zx9B1 ASP 400 HB3 0.02 -0.01 0.21 -0.04 2.70 2.88 2zx9B1 LEU 401 H 0.07 0.20 0.06 -0.55 8.37 8.14 2zx9B1 LEU 401 HA 0.07 0.15 0.81 -0.75 4.35 4.63 2zx9B1 LEU 401 HB2 0.14 0.12 -0.34 -0.04 1.64 1.52 2zx9B1 LEU 401 HB3 0.11 -0.09 -0.14 -0.04 1.64 1.48 2zx9B1 LEU 401 HG 0.12 -0.10 -0.35 -0.04 1.64 1.27 2zx9B1 LEU 401 HD13 0.13 -0.03 -0.01 -0.04 0.93 0.98 2zx9B1 LEU 401 HD23 0.29 -0.01 -0.19 -0.04 0.89 0.93 2zx9B1 ASN 402 H 0.07 0.31 0.07 -0.55 8.53 8.44 2zx9B1 ASN 402 HA 0.09 0.13 0.57 -0.75 4.76 4.80 2zx9B1 ASN 402 HB2 0.04 -0.02 -0.07 -0.04 2.88 2.80 2zx9B1 ASN 402 HB3 0.06 -0.01 -0.16 -0.04 2.79 2.64 2zx9B1 ASN 402 HD21 0.05 0.38 -0.26 -0.04 7.03 7.16 2zx9B1 ASN 402 HD22 0.06 0.21 -0.80 -0.04 7.74 7.17 2zx9B1 LEU 403 H 0.15 0.22 0.05 -0.55 8.37 8.23 2zx9B1 LEU 403 HA 0.11 0.22 0.97 -0.75 4.35 4.90 2zx9B1 LEU 403 HB2 0.13 0.01 -0.02 -0.04 1.64 1.71 2zx9B1 LEU 403 HB3 0.06 -0.13 -0.11 -0.04 1.64 1.42 2zx9B1 LEU 403 HG 0.02 0.05 -0.28 -0.04 1.64 1.39 2zx9B1 LEU 403 HD13 -0.22 -0.00 -0.14 -0.04 0.93 0.53 2zx9B1 LEU 403 HD23 -0.05 0.01 -0.01 -0.04 0.89 0.80 2zx9B1 SER 404 H 0.10 0.19 0.10 -0.55 8.46 8.31 2zx9B1 SER 404 HA 0.09 0.17 0.63 -0.75 4.49 4.62 2zx9B1 SER 404 HB2 0.05 0.04 0.13 -0.04 3.95 4.13 2zx9B1 SER 404 HB3 0.06 0.01 0.03 -0.04 3.93 3.98 2zx9B1 ALA 405 H 0.09 -0.10 -0.23 -0.55 8.40 7.61 2zx9B1 ALA 405 HA 0.06 0.02 0.25 -0.75 4.34 3.91 2zx9B1 ALA 405 HB3 -0.01 0.02 0.01 -0.04 1.41 1.39 2zx9B1 GLY 406 H 0.20 0.04 0.02 -0.55 8.43 8.14 2zx9B1 GLY 406 HA2 0.26 0.05 0.34 -0.51 4.01 4.15 2zx9B1 GLY 406 HA3 0.14 0.15 0.49 -0.51 4.01 4.28 2zx9B1 THR 407 H 0.09 0.22 0.23 -0.55 8.28 8.27 2zx9B1 THR 407 HA 0.23 0.19 0.93 -0.75 4.39 4.98 2zx9B1 THR 407 HB 0.08 0.03 0.10 -0.04 4.32 4.49 2zx9B1 THR 407 HG23 0.06 0.05 -0.09 -0.04 1.22 1.20 2zx9B1 VAL 408 H 0.09 0.26 0.11 -0.55 8.24 8.15 2zx9B1 VAL 408 HA -0.15 0.24 0.91 -0.75 4.13 4.37 2zx9B1 VAL 408 HB -0.34 0.02 0.02 -0.04 2.12 1.78 2zx9B1 VAL 408 HG13 -0.12 -0.01 -0.20 -0.04 0.97 0.60 2zx9B1 VAL 408 HG23 -0.97 -0.04 -0.23 -0.04 0.95 -0.33 2zx9B1 ARG 409 H -0.01 0.54 0.14 -0.55 8.46 8.58 2zx9B1 ARG 409 HA 0.07 0.16 0.44 -0.75 4.34 4.25 2zx9B1 ARG 409 HB2 0.05 0.03 -0.13 -0.04 1.90 1.80 2zx9B1 ARG 409 HB3 0.05 0.01 -0.34 -0.04 1.80 1.48 2zx9B1 ARG 409 HG2 0.04 -0.07 -0.16 -0.04 1.67 1.43 2zx9B1 ARG 409 HG3 0.02 -0.03 -0.08 -0.04 1.67 1.54 2zx9B1 ARG 409 HD2 0.02 0.01 -0.09 -0.04 3.22 3.11 2zx9B1 ARG 409 HD3 0.02 0.12 -0.07 -0.04 3.22 3.25 2zx9B1 HIS 410 H 0.16 0.42 -0.04 -0.55 8.41 8.40 2zx9B1 HIS 410 HA 0.09 0.14 0.80 -0.75 4.63 4.90 2zx9B1 HIS 410 HB2 0.03 0.06 0.09 -0.04 3.26 3.41 2zx9B1 HIS 410 HB3 0.03 -0.07 0.25 -0.04 3.20 3.36 2zx9B1 HIS 410 HD2 0.02 0.02 -0.06 -0.04 6.97 6.90 2zx9B1 HIS 410 HE1 0.05 0.08 -0.03 -0.04 7.75 7.82 2zx9B1 PHE 411 H 0.03 0.36 0.08 -0.55 8.34 8.25 2zx9B1 PHE 411 HA 0.00 0.04 0.10 -0.75 4.62 4.01 2zx9B1 PHE 411 HB2 0.04 0.06 -0.33 -0.04 3.15 2.87 2zx9B1 PHE 411 HB3 -0.08 0.01 0.04 -0.04 3.06 2.99 2zx9B1 PHE 411 HD2 0.18 -0.07 -0.14 -0.04 7.28 7.21 2zx9B1 PHE 411 HE2 -0.10 0.11 -0.11 -0.04 7.38 7.24 2zx9B1 PHE 411 HZ -0.15 -0.05 -0.08 -0.04 7.32 7.01 2zx9B1 LEU 412 H -0.12 0.08 -0.03 -0.55 8.37 7.76 2zx9B1 LEU 412 HA -0.40 0.16 0.41 -0.75 4.35 3.78 2zx9B1 LEU 412 HB2 0.13 -0.08 0.11 -0.04 1.64 1.75 2zx9B1 LEU 412 HB3 0.15 -0.00 -0.04 -0.04 1.64 1.70 2zx9B1 LEU 412 HG -0.12 0.04 -0.00 -0.04 1.64 1.52 2zx9B1 LEU 412 HD13 -0.37 0.00 -0.00 -0.04 0.93 0.52 2zx9B1 LEU 412 HD23 0.07 -0.01 -0.09 -0.04 0.89 0.82 2zx9B1 THR 413 H 0.39 0.01 -0.15 -0.55 8.28 7.98 2zx9B1 THR 413 HA 0.01 0.17 0.61 -0.75 4.39 4.42 2zx9B1 THR 413 HB 0.01 -0.00 0.06 -0.04 4.32 4.35 2zx9B1 THR 413 HG23 0.05 -0.00 -0.02 -0.04 1.22 1.21 2zx9B1 GLY 414 H 0.10 0.84 0.09 -0.55 8.43 8.91 2zx9B1 GLY 414 HA2 -0.01 0.03 0.17 -0.51 4.01 3.69 2zx9B1 GLY 414 HA3 -0.02 0.17 0.67 -0.51 4.01 4.33 2zx9B1 GLU 415 H 0.09 0.02 -0.16 -0.55 8.60 8.01 2zx9B1 GLU 415 HA 0.03 0.06 0.42 -0.75 4.29 4.04 2zx9B1 GLU 415 HB2 0.02 -0.09 0.15 -0.04 2.09 2.13 2zx9B1 GLU 415 HB3 0.01 0.12 0.02 -0.04 1.99 2.10 2zx9B1 GLU 415 HG2 0.00 0.04 -0.01 -0.04 2.34 2.33 2zx9B1 GLU 415 HG3 0.00 0.01 -0.07 -0.04 2.34 2.24 2zx9B1 ARG 416 H 0.04 0.12 0.23 -0.55 8.46 8.29 2zx9B1 ARG 416 HA 0.06 -0.01 0.37 -0.75 4.34 4.00 2zx9B1 ARG 416 HB2 0.04 0.02 0.19 -0.04 1.90 2.11 2zx9B1 ARG 416 HB3 0.05 -0.02 0.06 -0.04 1.80 1.85 2zx9B1 ARG 416 HG2 0.07 0.04 0.00 -0.04 1.67 1.74 2zx9B1 ARG 416 HG3 0.08 -0.08 0.10 -0.04 1.67 1.73 2zx9B1 ARG 416 HD2 0.04 0.02 0.06 -0.04 3.22 3.30 2zx9B1 ARG 416 HD3 0.04 -0.01 0.04 -0.04 3.22 3.24 2zx9B1 LEU 417 H 0.10 0.26 0.24 -0.55 8.37 8.43 2zx9B1 LEU 417 HA 0.08 0.18 1.07 -0.75 4.35 4.92 2zx9B1 LEU 417 HB2 0.11 0.01 0.01 -0.04 1.64 1.73 2zx9B1 LEU 417 HB3 0.09 0.05 0.17 -0.04 1.64 1.91 2zx9B1 LEU 417 HG 0.10 0.09 -0.03 -0.04 1.64 1.75 2zx9B1 LEU 417 HD13 0.10 -0.04 -0.16 -0.04 0.93 0.80 2zx9B1 LEU 417 HD23 0.08 -0.00 -0.10 -0.04 0.89 0.83 2zx9B1 SER 418 H 0.10 0.23 0.25 -0.55 8.46 8.50 2zx9B1 SER 418 HA 0.12 0.13 0.76 -0.75 4.49 4.74 2zx9B1 SER 418 HB2 0.04 0.03 0.08 -0.04 3.95 4.06 2zx9B1 SER 418 HB3 0.06 -0.01 0.24 -0.04 3.93 4.18 2zx9B1 PHE 419 H 0.06 0.28 0.27 -0.55 8.34 8.39 2zx9B1 PHE 419 HA 0.04 0.33 1.15 -0.75 4.62 5.38 2zx9B1 PHE 419 HB2 0.05 0.00 0.01 -0.04 3.15 3.17 2zx9B1 PHE 419 HB3 0.05 -0.04 -0.16 -0.04 3.06 2.87 2zx9B1 PHE 419 HD2 0.04 0.02 -0.15 -0.04 7.28 7.14 2zx9B1 PHE 419 HE2 0.02 0.08 -0.24 -0.04 7.38 7.21 2zx9B1 PHE 419 HZ 0.02 -0.15 -0.30 -0.04 7.32 6.84 2zx9B1 LYS 420 H 0.17 0.63 0.35 -0.55 8.42 9.02 2zx9B1 LYS 420 HA -0.14 0.11 0.76 -0.75 4.32 4.30 2zx9B1 LYS 420 HB2 -0.06 0.09 -0.17 -0.04 1.87 1.69 2zx9B1 LYS 420 HB3 0.02 -0.02 -0.02 -0.04 1.79 1.73 2zx9B1 LYS 420 HG2 0.01 -0.06 -0.32 -0.04 1.46 1.06 2zx9B1 LYS 420 HG3 -0.02 0.05 -0.10 -0.04 1.46 1.34 2zx9B1 LYS 420 HD2 -0.02 0.02 -0.07 -0.04 1.69 1.58 2zx9B1 LYS 420 HD3 0.00 -0.02 -0.09 -0.04 1.68 1.53 2zx9B1 LYS 420 HE2 0.00 -0.01 -0.06 -0.04 2.99 2.88 2zx9B1 LYS 420 HE3 0.01 -0.03 -0.09 -0.04 2.99 2.84 2zx9B1 ASN 421 H 0.01 0.20 0.12 -0.55 8.53 8.32 2zx9B1 ASN 421 HA 0.10 0.16 0.83 -0.75 4.76 5.10 2zx9B1 ASN 421 HB2 0.05 -0.02 0.25 -0.04 2.88 3.12 2zx9B1 ASN 421 HB3 0.06 0.09 0.11 -0.04 2.79 3.01 2zx9B1 ASN 421 HD21 0.16 0.33 0.19 -0.04 7.03 7.67 2zx9B1 ASN 421 HD22 0.09 0.02 0.07 -0.04 7.74 7.88 2zx9B1 VAL 422 H 0.06 0.28 0.03 -0.55 8.24 8.06 2zx9B1 VAL 422 HA 0.02 0.15 0.88 -0.75 4.13 4.44 2zx9B1 VAL 422 HB 0.04 -0.05 0.11 -0.04 2.12 2.17 2zx9B1 VAL 422 HG13 0.02 -0.01 -0.08 -0.04 0.97 0.86 2zx9B1 VAL 422 HG23 0.03 0.04 -0.17 -0.04 0.95 0.82 2zx9B1 GLY 423 H 0.02 0.26 0.08 -0.55 8.43 8.26 2zx9B1 GLY 423 HA2 0.02 0.04 0.33 -0.51 4.01 3.89 2zx9B1 GLY 423 HA3 0.02 0.02 0.60 -0.51 4.01 4.13 2zx9B1 LYS 424 H 0.02 0.12 0.21 -0.55 8.42 8.22 2zx9B1 LYS 424 HA 0.03 0.18 0.52 -0.75 4.32 4.29 2zx9B1 LYS 424 HB2 0.02 0.01 0.14 -0.04 1.87 2.00 2zx9B1 LYS 424 HB3 0.02 0.00 0.07 -0.04 1.79 1.84 2zx9B1 LYS 424 HG2 0.02 -0.02 0.11 -0.04 1.46 1.53 2zx9B1 LYS 424 HG3 0.03 -0.04 -0.11 -0.04 1.46 1.30 2zx9B1 LYS 424 HD2 0.02 0.02 0.03 -0.04 1.69 1.71 2zx9B1 LYS 424 HD3 0.01 0.01 0.03 -0.04 1.68 1.69 2zx9B1 LYS 424 HE2 0.01 0.03 0.01 -0.04 2.99 3.00 2zx9B1 LYS 424 HE3 0.02 0.01 0.01 -0.04 2.99 2.98 2zx9B1 ASN 425 H 0.04 0.28 -0.38 -0.55 8.53 7.92 2zx9B1 ASN 425 HA 0.06 0.08 1.04 -0.75 4.76 5.18 2zx9B1 ASN 425 HB2 0.05 0.06 0.03 -0.04 2.88 2.98 2zx9B1 ASN 425 HB3 0.06 0.07 0.02 -0.04 2.79 2.89 2zx9B1 ASN 425 HD21 0.03 -0.01 -0.04 -0.04 7.03 6.97 2zx9B1 ASN 425 HD22 0.04 0.01 -0.07 -0.04 7.74 7.68 2zx9B1 LEU 426 H 0.09 0.54 0.35 -0.55 8.37 8.79 2zx9B1 LEU 426 HA 0.12 0.11 0.94 -0.75 4.35 4.77 2zx9B1 LEU 426 HB2 0.12 0.12 -0.24 -0.04 1.64 1.60 2zx9B1 LEU 426 HB3 0.12 -0.08 0.02 -0.04 1.64 1.66 2zx9B1 LEU 426 HG 0.18 0.02 -0.24 -0.04 1.64 1.56 2zx9B1 LEU 426 HD13 0.24 -0.02 -0.17 -0.04 0.93 0.94 2zx9B1 LEU 426 HD23 0.06 -0.01 -0.23 -0.04 0.89 0.66 2zx9B1 GLU 427 H 0.14 0.60 0.33 -0.55 8.60 9.13 2zx9B1 GLU 427 HA 0.10 0.30 1.17 -0.75 4.29 5.10 2zx9B1 GLU 427 HB2 0.07 0.01 0.19 -0.04 2.09 2.32 2zx9B1 GLU 427 HB3 0.07 0.01 0.01 -0.04 1.99 2.03 2zx9B1 GLU 427 HG2 0.06 0.02 -0.05 -0.04 2.34 2.33 2zx9B1 GLU 427 HG3 0.06 -0.03 -0.20 -0.04 2.34 2.13 2zx9B1 ILE 428 H 0.11 0.66 0.38 -0.55 8.25 8.84 2zx9B1 ILE 428 HA 0.17 0.33 1.11 -0.75 4.18 5.03 2zx9B1 ILE 428 HB 0.11 -0.04 -0.06 -0.04 1.89 1.86 2zx9B1 ILE 428 HG12 0.18 0.04 -0.26 -0.04 1.49 1.41 2zx9B1 ILE 428 HG13 0.14 -0.07 -0.38 -0.04 1.21 0.86 2zx9B1 ILE 428 HG23 0.11 0.02 -0.20 -0.04 0.93 0.82 2zx9B1 ILE 428 HD13 0.05 0.01 -0.19 -0.04 0.88 0.71 2zx9B1 THR 429 H 0.10 0.52 0.28 -0.55 8.28 8.63 2zx9B1 THR 429 HA 0.04 0.45 1.12 -0.75 4.39 5.24 2zx9B1 THR 429 HB 0.04 -0.06 0.22 -0.04 4.32 4.49 2zx9B1 THR 429 HG23 0.02 -0.02 -0.12 -0.04 1.22 1.06 2zx9B1 VAL 430 H 0.01 0.60 0.21 -0.55 8.24 8.51 2zx9B1 VAL 430 HA 0.01 0.19 0.87 -0.75 4.13 4.46 2zx9B1 VAL 430 HB -0.04 0.04 0.06 -0.04 2.12 2.14 2zx9B1 VAL 430 HG13 0.01 -0.01 -0.15 -0.04 0.97 0.78 2zx9B1 VAL 430 HG23 -0.02 0.01 -0.23 -0.04 0.95 0.67 2zx9B1 PRO 431 HA -0.02 0.01 0.46 -0.51 4.44 4.38 2zx9B1 PRO 431 HB2 -0.06 -0.10 0.17 -0.04 2.28 2.25 2zx9B1 PRO 431 HB3 -0.03 0.05 0.12 -0.04 2.02 2.12 2zx9B1 PRO 431 HG2 -0.02 0.10 0.11 -0.04 2.03 2.18 2zx9B1 PRO 431 HG3 -0.01 0.06 0.07 -0.04 2.03 2.11 2zx9B1 PRO 431 HD2 -0.04 0.08 0.23 -0.04 3.68 3.91 2zx9B1 PRO 431 HD3 0.01 0.40 0.23 -0.04 3.65 4.24 2zx9B1 LYS 432 H -0.02 0.15 0.22 -0.55 8.42 8.21 2zx9B1 LYS 432 HA -0.02 0.15 0.30 -0.75 4.32 3.98 2zx9B1 LYS 432 HB2 -0.01 -0.01 0.17 -0.04 1.87 1.97 2zx9B1 LYS 432 HB3 -0.01 -0.04 0.06 -0.04 1.79 1.76 2zx9B1 LYS 432 HG2 -0.01 -0.02 -0.00 -0.04 1.46 1.39 2zx9B1 LYS 432 HG3 -0.01 0.03 -0.05 -0.04 1.46 1.39 2zx9B1 LYS 432 HD2 -0.01 0.03 0.02 -0.04 1.69 1.69 2zx9B1 LYS 432 HD3 -0.01 -0.04 0.06 -0.04 1.68 1.66 2zx9B1 LYS 432 HE2 -0.00 -0.01 -0.02 -0.04 2.99 2.92 2zx9B1 LYS 432 HE3 -0.00 0.14 0.04 -0.04 2.99 3.12 2zx9B1 LYS 433 H -0.04 -0.01 -0.42 -0.55 8.42 7.40 2zx9B1 LYS 433 HA -0.03 0.09 0.33 -0.75 4.32 3.96 2zx9B1 LYS 433 HB2 -0.04 0.06 0.01 -0.04 1.87 1.87 2zx9B1 LYS 433 HB3 -0.03 -0.03 0.07 -0.04 1.79 1.75 2zx9B1 LYS 433 HG2 -0.06 -0.11 0.02 -0.04 1.46 1.27 2zx9B1 LYS 433 HG3 -0.10 0.08 -0.06 -0.04 1.46 1.34 2zx9B1 LYS 433 HD2 -0.03 -0.01 0.00 -0.04 1.69 1.61 2zx9B1 LYS 433 HD3 -0.05 0.01 0.01 -0.04 1.68 1.60 2zx9B1 LYS 433 HE2 -0.06 0.02 -0.08 -0.04 2.99 2.82 2zx9B1 LYS 433 HE3 -0.04 0.01 -0.04 -0.04 2.99 2.89 2zx9B1 LEU 434 H -0.11 0.22 -0.12 -0.55 8.37 7.81 2zx9B1 LEU 434 HA -0.23 0.04 0.41 -0.75 4.35 3.82 2zx9B1 LEU 434 HB2 -0.24 0.06 0.08 -0.04 1.64 1.50 2zx9B1 LEU 434 HB3 -1.10 -0.05 0.00 -0.04 1.64 0.45 2zx9B1 LEU 434 HG -0.17 -0.06 0.11 -0.04 1.64 1.49 2zx9B1 LEU 434 HD13 -0.23 -0.01 0.07 -0.04 0.93 0.72 2zx9B1 LEU 434 HD23 -0.27 -0.01 -0.02 -0.04 0.89 0.55 2zx9B1 LEU 435 H -0.06 0.35 -0.18 -0.55 8.37 7.93 2zx9B1 LEU 435 HA 0.04 -0.05 0.27 -0.75 4.35 3.85 2zx9B1 LEU 435 HB2 -0.02 -0.01 -0.05 -0.04 1.64 1.52 2zx9B1 LEU 435 HB3 -0.01 0.11 -0.08 -0.04 1.64 1.62 2zx9B1 LEU 435 HG -0.04 -0.11 -0.18 -0.04 1.64 1.27 2zx9B1 LEU 435 HD13 -0.03 0.02 -0.26 -0.04 0.93 0.62 2zx9B1 LEU 435 HD23 -0.10 0.03 -0.10 -0.04 0.89 0.68 2zx9B1 GLU 436 H -0.02 0.27 -1.02 -0.55 8.60 7.29 2zx9B1 GLU 436 HA 0.03 0.11 0.56 -0.75 4.29 4.23 2zx9B1 GLU 436 HB2 -0.01 0.27 0.12 -0.04 2.09 2.43 2zx9B1 GLU 436 HB3 0.00 -0.04 0.05 -0.04 1.99 1.97 2zx9B1 GLU 436 HG2 0.01 -0.06 0.05 -0.04 2.34 2.30 2zx9B1 GLU 436 HG3 0.01 0.04 0.04 -0.04 2.34 2.39 2zx9B1 THR 437 H 0.03 0.71 0.00 -0.55 8.28 8.47 2zx9B1 THR 437 HA 0.04 0.16 0.89 -0.75 4.39 4.73 2zx9B1 THR 437 HB 0.08 -0.08 -0.01 -0.04 4.32 4.28 2zx9B1 THR 437 HG23 0.01 -0.02 0.01 -0.04 1.22 1.18 2zx9B1 ASP 438 H 0.15 0.23 -0.12 -0.55 8.40 8.11 2zx9B1 ASP 438 HA 0.33 -0.03 0.41 -0.75 4.63 4.58 2zx9B1 ASP 438 HB2 0.15 0.15 -0.00 -0.04 2.71 2.97 2zx9B1 ASP 438 HB3 0.20 0.16 -0.11 -0.04 2.70 2.91 2zx9B1 SER 439 H 0.54 0.03 0.15 -0.55 8.46 8.64 2zx9B1 SER 439 HA 0.18 0.33 0.88 -0.75 4.49 5.12 2zx9B1 SER 439 HB2 0.21 0.08 0.06 -0.04 3.95 4.26 2zx9B1 SER 439 HB3 0.53 -0.12 0.19 -0.04 3.93 4.49 2zx9B1 ILE 440 H 0.48 0.02 0.17 -0.55 8.25 8.37 2zx9B1 ILE 440 HA 0.12 0.32 1.07 -0.75 4.18 4.94 2zx9B1 ILE 440 HB -0.08 0.02 0.03 -0.04 1.89 1.82 2zx9B1 ILE 440 HG12 0.08 0.09 -0.23 -0.04 1.49 1.39 2zx9B1 ILE 440 HG13 0.35 -0.08 -0.22 -0.04 1.21 1.22 2zx9B1 ILE 440 HG23 -0.16 -0.01 0.02 -0.04 0.93 0.73 2zx9B1 ILE 440 HD13 -0.03 -0.01 -0.12 -0.04 0.88 0.67 2zx9B1 THR 441 H 0.20 -0.09 0.11 -0.55 8.28 7.96 2zx9B1 THR 441 HA 0.09 0.19 0.90 -0.75 4.39 4.81 2zx9B1 THR 441 HB 0.02 0.23 0.06 -0.04 4.32 4.59 2zx9B1 THR 441 HG23 0.05 -0.04 -0.14 -0.04 1.22 1.05 2zx9B1 LEU 442 H 0.05 0.52 0.33 -0.55 8.37 8.72 2zx9B1 LEU 442 HA 0.01 0.05 0.67 -0.75 4.35 4.33 2zx9B1 LEU 442 HB2 -0.16 0.05 0.12 -0.04 1.64 1.61 2zx9B1 LEU 442 HB3 -0.29 0.05 0.24 -0.04 1.64 1.60 2zx9B1 LEU 442 HG -0.61 -0.04 -0.33 -0.04 1.64 0.63 2zx9B1 LEU 442 HD13 -0.05 -0.01 -0.13 -0.04 0.93 0.70 2zx9B1 LEU 442 HD23 -0.97 -0.01 -0.08 -0.04 0.89 -0.21 2zx9B1 VAL 443 H 0.01 0.15 0.17 -0.55 8.24 8.02 2zx9B1 VAL 443 HA 0.08 0.41 1.24 -0.75 4.13 5.10 2zx9B1 VAL 443 HB 0.07 -0.13 0.12 -0.04 2.12 2.14 2zx9B1 VAL 443 HG13 -0.31 0.03 -0.11 -0.04 0.97 0.53 2zx9B1 VAL 443 HG23 -0.41 0.01 -0.20 -0.04 0.95 0.32 2zx9B1 LEU 444 H 0.14 0.68 0.35 -0.55 8.37 9.00 2zx9B1 LEU 444 HA 0.08 0.07 0.95 -0.75 4.35 4.69 2zx9B1 LEU 444 HB2 0.15 -0.03 0.03 -0.04 1.64 1.75 2zx9B1 LEU 444 HB3 0.08 0.02 0.04 -0.04 1.64 1.74 2zx9B1 LEU 444 HG 0.23 -0.03 -0.27 -0.04 1.64 1.53 2zx9B1 LEU 444 HD13 0.25 -0.01 -0.17 -0.04 0.93 0.97 2zx9B1 LEU 444 HD23 0.07 0.03 -0.12 -0.04 0.89 0.83 2zx9B1 GLU 445 H 0.05 0.46 0.11 -0.55 8.60 8.66 2zx9B1 GLU 445 HA -0.02 0.35 0.86 -0.75 4.29 4.71 2zx9B1 GLU 445 HB2 0.37 0.09 -0.16 -0.04 2.09 2.34 2zx9B1 GLU 445 HB3 0.14 -0.12 -0.09 -0.04 1.99 1.88 2zx9B1 GLU 445 HG2 -0.05 -0.08 -0.40 -0.04 2.34 1.77 2zx9B1 GLU 445 HG3 -0.23 0.10 -0.09 -0.04 2.34 2.08 2zx9B1 ALA 446 H -0.19 0.52 0.30 -0.55 8.40 8.48 2zx9B1 ALA 446 HA -0.17 0.16 0.89 -0.75 4.34 4.46 2zx9B1 ALA 446 HB3 -0.23 -0.03 0.09 -0.04 1.41 1.20 2zx9B1 VAL 447 H -0.09 0.28 0.23 -0.55 8.24 8.11 2zx9B1 VAL 447 HA -0.10 0.30 0.83 -0.75 4.13 4.42 2zx9B1 VAL 447 HB -0.02 -0.08 0.16 -0.04 2.12 2.14 2zx9B1 VAL 447 HG13 -0.03 0.02 -0.10 -0.04 0.97 0.82 2zx9B1 VAL 447 HG23 -0.05 0.03 -0.30 -0.04 0.95 0.59 2zx9B1 GLU 448 H -0.04 0.56 0.12 -0.55 8.60 8.69 2zx9B1 GLU 448 HA 0.02 0.21 0.82 -0.75 4.29 4.58 2zx9B1 GLU 448 HB2 0.04 0.06 0.02 -0.04 2.09 2.17 2zx9B1 GLU 448 HB3 0.02 -0.16 -0.03 -0.04 1.99 1.78 2zx9B1 GLU 448 HG2 -0.02 0.13 0.07 -0.04 2.34 2.48 2zx9B1 GLU 448 HG3 0.03 0.05 0.07 -0.04 2.34 2.45