============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 96 rings ring int. center anis. iso. HIS 4 0.900 -5.543 -1.005 27.047 -99.200 -91.000 TRP 5 1.040 -5.047 5.516 25.005 -99.200 -91.000 TRP6 5 1.020 -4.139 6.419 23.016 -99.200 -91.000 TRP 6 1.040 -3.946 1.436 22.741 -99.200 -91.000 TRP6 6 1.020 -4.211 -0.681 21.711 -99.200 -91.000 HIS 7 0.900 -7.974 -1.898 21.927 -99.200 -91.000 TYR 12 0.840 -1.975 13.958 9.858 -99.200 -91.000 TYR 15 0.840 10.146 13.179 6.797 -99.200 -91.000 PHE 19 1.000 1.735 19.076 9.867 -99.200 -91.000 TYR 39 0.840 -5.743 19.672 8.380 -99.200 -91.000 TRP 49 1.040 5.551 7.784 13.760 -99.200 -91.000 TRP6 49 1.020 5.518 6.389 11.847 -99.200 -91.000 TYR 54 0.840 13.934 11.825 19.408 -99.200 -91.000 TYR 63 0.840 13.462 7.689 11.258 -99.200 -91.000 TYR 68 0.840 18.656 7.612 21.600 -99.200 -91.000 PHE 75 1.000 13.253 18.597 13.150 -99.200 -91.000 HIS 103 0.900 19.583 2.671 13.576 -99.200 -91.000 HIS 108 0.900 24.328 9.059 21.954 -99.200 -91.000 TRP 110 1.040 25.659 6.663 25.225 -99.200 -91.000 TRP6 110 1.020 23.540 5.724 24.735 -99.200 -91.000 PHE 111 1.000 30.749 5.069 16.583 -99.200 -91.000 HIS 117 0.900 39.239 8.333 25.865 -99.200 -91.000 TYR 125 0.840 27.017 2.106 26.548 -99.200 -91.000 TYR 126 0.840 27.882 2.703 19.653 -99.200 -91.000 TRP 128 1.040 33.206 -1.521 18.564 -99.200 -91.000 TRP6 128 1.020 33.954 0.286 17.224 -99.200 -91.000 PHE 139 1.000 19.565 3.612 4.580 -99.200 -91.000 TRP 144 1.040 30.533 -6.622 9.609 -99.200 -91.000 TRP6 144 1.020 30.392 -6.558 11.969 -99.200 -91.000 TYR 146 0.840 40.168 -0.569 9.554 -99.200 -91.000 TYR 153 0.840 36.667 -4.301 9.042 -99.200 -91.000 TYR 154 0.840 31.293 2.218 12.509 -99.200 -91.000 HIS 156 0.900 27.434 0.688 8.076 -99.200 -91.000 PHE 157 1.000 22.414 -5.573 10.464 -99.200 -91.000 PHE 158 1.000 18.603 0.496 8.975 -99.200 -91.000 TRP 167 1.040 19.247 -3.081 21.492 -99.200 -91.000 TRP6 167 1.020 17.501 -2.662 23.034 -99.200 -91.000 TYR 177 0.840 15.084 -1.383 28.843 -99.200 -91.000 PHE 182 1.000 14.042 13.604 29.019 -99.200 -91.000 TRP 183 1.040 12.107 11.425 24.999 -99.200 -91.000 TRP6 183 1.020 11.486 13.616 24.356 -99.200 -91.000 PHE 191 1.000 8.525 5.685 24.053 -99.200 -91.000 HIS 206 0.900 26.459 -14.464 8.089 -99.200 -91.000 HIS 215 0.900 8.962 -11.896 20.071 -99.200 -91.000 TYR 217 0.840 17.690 -8.657 24.194 -99.200 -91.000 PHE 226 1.000 6.354 -0.565 26.142 -99.200 -91.000 HIS 229 0.900 3.999 4.762 32.785 -99.200 -91.000 TRP 238 1.040 10.530 -2.549 7.116 -99.200 -91.000 TRP6 238 1.020 9.881 -2.151 4.876 -99.200 -91.000 TYR 248 0.840 6.948 -8.406 17.190 -99.200 -91.000 HIS 254 0.900 1.691 -8.904 30.536 -99.200 -91.000 PHE 260 1.000 3.451 1.354 11.837 -99.200 -91.000 PHE 262 1.000 6.705 -1.984 7.064 -99.200 -91.000 HIS 264 0.900 0.564 -3.438 3.571 -99.200 -91.000 HIS 269 0.900 9.718 -5.924 -3.338 -99.200 -91.000 TRP 276 1.040 16.349 0.677 -5.308 -99.200 -91.000 TRP6 276 1.020 15.472 2.829 -4.887 -99.200 -91.000 TYR 278 0.840 8.572 0.851 -11.287 -99.200 -91.000 PHE 291 1.000 -4.684 -4.789 3.045 -99.200 -91.000 TRP 294 1.040 -0.812 -9.714 7.625 -99.200 -91.000 TRP6 294 1.020 0.616 -9.532 9.499 -99.200 -91.000 TRP 304 1.040 -5.407 -3.281 17.418 -99.200 -91.000 TRP6 304 1.020 -7.733 -3.686 17.396 -99.200 -91.000 PHE 308 1.000 1.900 0.333 6.894 -99.200 -91.000 TRP 309 1.040 -4.399 2.553 2.002 -99.200 -91.000 TRP6 309 1.020 -4.508 0.479 0.873 -99.200 -91.000 HIS 312 0.900 9.368 7.494 7.789 -99.200 -91.000 TRP 321 1.040 -0.183 -0.686 -4.504 -99.200 -91.000 TRP6 321 1.020 0.066 -1.134 -2.197 -99.200 -91.000 TYR 327 0.840 -12.081 7.247 -13.224 -99.200 -91.000 HIS 340 0.900 -8.681 5.080 7.732 -99.200 -91.000 TYR 347 0.840 -0.590 3.747 13.038 -99.200 -91.000 TYR 349 0.840 3.814 10.440 5.144 -99.200 -91.000 TYR 359 0.840 8.947 17.443 -7.301 -99.200 -91.000 PHE 361 1.000 11.871 14.038 -5.978 -99.200 -91.000 TYR 375 0.840 18.576 2.044 -7.642 -99.200 -91.000 PHE 380 1.000 25.944 6.504 -14.926 -99.200 -91.000 TRP 407 1.040 0.258 23.187 5.397 -99.200 -91.000 TRP6 407 1.020 -1.119 21.956 6.876 -99.200 -91.000 PHE 415 1.000 7.320 23.307 4.303 -99.200 -91.000 TRP 422 1.040 12.757 19.585 3.542 -99.200 -91.000 TRP6 422 1.020 13.693 17.415 3.440 -99.200 -91.000 TYR 429 0.840 1.615 25.344 -5.267 -99.200 -91.000 PHE 445 1.000 -10.393 17.283 6.692 -99.200 -91.000 TYR 446 0.840 -14.986 18.174 4.867 -99.200 -91.000 TYR 448 0.840 -8.119 9.339 4.239 -99.200 -91.000 TRP 460 1.040 -19.901 -1.077 12.815 -99.200 -91.000 TRP6 460 1.020 -18.622 -1.458 10.861 -99.200 -91.000 PHE 466 1.000 -11.633 -8.885 6.003 -99.200 -91.000 PHE 476 1.000 -9.676 -5.993 -0.274 -99.200 -91.000 TYR 478 0.840 -13.753 -5.263 4.122 -99.200 -91.000 TYR 487 0.840 -22.321 -2.544 10.354 -99.200 -91.000 HIS 523 0.900 -27.472 -7.358 -9.892 -99.200 -91.000 TRP 528 1.040 -10.267 4.056 -9.276 -99.200 -91.000 TRP6 528 1.020 -8.734 2.870 -7.919 -99.200 -91.000 PHE 531 1.000 -21.380 0.017 -2.352 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2zicA1 MET 1 HA -0.06 -0.07 0.23 -0.75 4.52 3.86 2zicA1 MET 1 HB2 -0.03 -0.05 0.01 -0.04 2.15 2.04 2zicA1 MET 1 HB3 -0.07 -0.03 0.07 -0.04 2.03 1.96 2zicA1 MET 1 HG2 -0.14 0.03 -0.06 -0.04 2.63 2.41 2zicA1 MET 1 HG3 -0.31 -0.02 -0.38 -0.04 2.56 1.81 2zicA1 MET 1 HE3 0.17 -0.02 0.07 -0.04 2.10 2.28 2zicA1 GLN 2 H -0.10 0.08 0.10 -0.55 8.47 8.01 2zicA1 GLN 2 HA -0.19 0.04 0.59 -0.75 4.36 4.05 2zicA1 GLN 2 HB2 -0.10 -0.02 0.09 -0.04 2.15 2.08 2zicA1 GLN 2 HB3 -0.08 -0.01 0.13 -0.04 2.02 2.01 2zicA1 GLN 2 HG2 -0.60 0.03 -0.39 -0.04 2.40 1.40 2zicA1 GLN 2 HG3 -0.27 -0.01 0.01 -0.04 2.39 2.08 2zicA1 GLN 2 HE21 -0.03 -0.01 -0.02 -0.04 6.97 6.86 2zicA1 GLN 2 HE22 -0.14 -0.00 -0.01 -0.04 7.69 7.49 2zicA1 LYS 3 H -0.31 0.12 0.19 -0.55 8.42 7.86 2zicA1 LYS 3 HA -0.83 0.14 0.75 -0.75 4.32 3.63 2zicA1 LYS 3 HB2 -0.26 -0.06 0.09 -0.04 1.87 1.60 2zicA1 LYS 3 HB3 -0.34 0.05 -0.00 -0.04 1.79 1.46 2zicA1 LYS 3 HG2 -0.27 0.09 0.03 -0.04 1.46 1.27 2zicA1 LYS 3 HG3 -0.21 -0.04 0.01 -0.04 1.46 1.18 2zicA1 LYS 3 HD2 -0.47 0.01 -0.04 -0.04 1.69 1.15 2zicA1 LYS 3 HD3 -0.73 0.03 -0.25 -0.04 1.68 0.70 2zicA1 LYS 3 HE2 -0.21 0.02 -0.08 -0.04 2.99 2.68 2zicA1 LYS 3 HE3 -0.21 0.12 -0.06 -0.04 2.99 2.80 2zicA1 HIS 4 H 0.01 0.17 0.17 -0.55 8.41 8.22 2zicA1 HIS 4 HA -0.25 0.22 0.83 -0.75 4.63 4.68 2zicA1 HIS 4 HB2 -2.07 -0.02 0.01 -0.04 3.26 1.14 2zicA1 HIS 4 HB3 -0.85 -0.06 0.06 -0.04 3.20 2.31 2zicA1 HIS 4 HD2 -0.28 0.11 -0.10 -0.04 6.97 6.66 2zicA1 HIS 4 HE1 0.06 0.02 -0.05 -0.04 7.75 7.74 2zicA1 TRP 5 H 0.15 0.20 0.13 -0.55 7.97 7.91 2zicA1 TRP 5 HA -0.08 0.12 0.36 -0.75 4.62 4.26 2zicA1 TRP 5 HB2 0.01 0.07 0.06 -0.04 3.23 3.33 2zicA1 TRP 5 HB3 -0.00 0.02 0.14 -0.04 3.23 3.35 2zicA1 TRP 5 HD1 0.11 -0.01 0.10 -0.04 7.22 7.38 2zicA1 TRP 5 HE1 0.23 0.43 0.04 -0.04 10.20 10.87 2zicA1 TRP 5 HE3 0.08 0.03 -0.33 -0.04 7.59 7.33 2zicA1 TRP 5 HZ2 0.06 0.09 0.08 -0.04 7.44 7.63 2zicA1 TRP 5 HZ3 0.07 -0.01 -0.19 -0.04 7.13 6.97 2zicA1 TRP 5 HH2 0.02 -0.08 -0.11 -0.04 7.19 6.97 2zicA1 TRP 6 H -1.74 0.07 -0.29 -0.55 7.97 5.46 2zicA1 TRP 6 HA -0.61 0.11 0.40 -0.75 4.62 3.77 2zicA1 TRP 6 HB2 -0.81 0.02 0.01 -0.04 3.23 2.41 2zicA1 TRP 6 HB3 -2.40 -0.01 -0.03 -0.04 3.23 0.76 2zicA1 TRP 6 HD1 -1.51 0.03 -0.19 -0.04 7.22 5.51 2zicA1 TRP 6 HE1 -0.62 0.11 -0.12 -0.04 10.20 9.53 2zicA1 TRP 6 HE3 -0.79 0.03 -0.40 -0.04 7.59 6.38 2zicA1 TRP 6 HZ2 -0.52 0.05 -0.01 -0.04 7.44 6.93 2zicA1 TRP 6 HZ3 -1.97 0.05 -0.10 -0.04 7.13 5.07 2zicA1 TRP 6 HH2 -0.53 0.13 0.01 -0.04 7.19 6.76 2zicA1 HIS 7 H -0.68 0.50 -0.44 -0.55 8.41 7.24 2zicA1 HIS 7 HA -0.38 0.10 0.48 -0.75 4.63 4.08 2zicA1 HIS 7 HB2 -0.56 0.13 0.12 -0.04 3.26 2.90 2zicA1 HIS 7 HB3 -0.44 0.04 0.06 -0.04 3.20 2.81 2zicA1 HIS 7 HD2 -2.38 0.06 0.02 -0.04 6.97 4.63 2zicA1 HIS 7 HE1 -0.76 0.09 0.05 -0.04 7.75 7.08 2zicA1 LYS 8 H -0.05 0.26 -0.28 -0.55 8.42 7.79 2zicA1 LYS 8 HA 0.03 0.28 0.80 -0.75 4.32 4.66 2zicA1 LYS 8 HB2 0.03 -0.01 0.06 -0.04 1.87 1.91 2zicA1 LYS 8 HB3 0.01 0.02 0.14 -0.04 1.79 1.92 2zicA1 LYS 8 HG2 -0.03 0.11 -0.10 -0.04 1.46 1.40 2zicA1 LYS 8 HG3 -0.04 -0.14 -0.18 -0.04 1.46 1.06 2zicA1 LYS 8 HD2 -0.00 -0.08 0.01 -0.04 1.69 1.58 2zicA1 LYS 8 HD3 -0.01 0.31 0.07 -0.04 1.68 2.01 2zicA1 LYS 8 HE2 -0.05 -0.09 -0.07 -0.04 2.99 2.74 2zicA1 LYS 8 HE3 -0.02 -0.04 -0.05 -0.04 2.99 2.83 2zicA1 ALA 9 H 0.04 0.16 -0.36 -0.55 8.40 7.69 2zicA1 ALA 9 HA 0.11 0.18 0.73 -0.75 4.34 4.60 2zicA1 ALA 9 HB3 0.17 -0.00 -0.01 -0.04 1.41 1.53 2zicA1 THR 10 H 0.08 0.13 0.27 -0.55 8.28 8.21 2zicA1 THR 10 HA -0.03 0.31 0.87 -0.75 4.39 4.79 2zicA1 THR 10 HB 0.08 -0.07 0.09 -0.04 4.32 4.38 2zicA1 THR 10 HG23 0.15 -0.02 -0.16 -0.04 1.22 1.16 2zicA1 VAL 11 H -0.24 0.70 0.27 -0.55 8.24 8.42 2zicA1 VAL 11 HA 0.03 0.23 0.99 -0.75 4.13 4.63 2zicA1 VAL 11 HB -0.99 -0.01 -0.02 -0.04 2.12 1.06 2zicA1 VAL 11 HG13 0.20 -0.04 -0.37 -0.04 0.97 0.71 2zicA1 VAL 11 HG23 -0.25 0.02 -0.27 -0.04 0.95 0.42 2zicA1 TYR 12 H 0.20 0.70 0.39 -0.55 8.29 9.03 2zicA1 TYR 12 HA 0.08 0.26 1.00 -0.75 4.56 5.15 2zicA1 TYR 12 HB2 0.03 0.06 0.01 -0.04 3.06 3.12 2zicA1 TYR 12 HB3 0.02 -0.03 0.16 -0.04 2.98 3.09 2zicA1 TYR 12 HD2 -0.03 -0.02 -0.23 -0.04 7.15 6.83 2zicA1 TYR 12 HE2 0.12 -0.06 -0.11 -0.04 6.85 6.76 2zicA1 GLN 13 H -0.15 0.68 0.31 -0.55 8.47 8.76 2zicA1 GLN 13 HA -0.04 0.22 0.98 -0.75 4.36 4.76 2zicA1 GLN 13 HB2 0.08 -0.00 0.00 -0.04 2.15 2.19 2zicA1 GLN 13 HB3 0.01 -0.07 0.13 -0.04 2.02 2.05 2zicA1 GLN 13 HG2 -0.39 -0.04 -0.46 -0.04 2.40 1.46 2zicA1 GLN 13 HG3 -1.48 0.16 -0.01 -0.04 2.39 1.02 2zicA1 GLN 13 HE21 -0.42 -0.18 -0.02 -0.04 6.97 6.31 2zicA1 GLN 13 HE22 -1.29 0.10 -0.08 -0.04 7.69 6.37 2zicA1 ILE 14 H -0.23 0.63 0.30 -0.55 8.25 8.40 2zicA1 ILE 14 HA -0.15 0.13 0.90 -0.75 4.18 4.31 2zicA1 ILE 14 HB -0.22 0.02 0.05 -0.04 1.89 1.70 2zicA1 ILE 14 HG12 -0.46 0.00 -0.10 -0.04 1.49 0.90 2zicA1 ILE 14 HG13 0.04 0.05 -0.29 -0.04 1.21 0.96 2zicA1 ILE 14 HG23 -0.27 -0.02 -0.32 -0.04 0.93 0.28 2zicA1 ILE 14 HD13 -0.65 0.01 -0.11 -0.04 0.88 0.08 2zicA1 TYR 15 H 0.07 0.25 0.02 -0.55 8.29 8.08 2zicA1 TYR 15 HA -0.11 0.15 0.77 -0.75 4.56 4.61 2zicA1 TYR 15 HB2 0.11 0.04 0.01 -0.04 3.06 3.19 2zicA1 TYR 15 HB3 0.11 0.04 0.15 -0.04 2.98 3.24 2zicA1 TYR 15 HD2 0.16 -0.01 -0.00 -0.04 7.15 7.25 2zicA1 TYR 15 HE2 0.46 0.02 -0.02 -0.04 6.85 7.26 2zicA1 PRO 16 HA -0.07 -0.01 0.25 -0.51 4.44 4.11 2zicA1 PRO 16 HB2 -0.93 0.05 -0.13 -0.04 2.28 1.23 2zicA1 PRO 16 HB3 -0.54 0.03 -0.04 -0.04 2.02 1.42 2zicA1 PRO 16 HG2 -0.59 -0.02 -0.03 -0.04 2.03 1.35 2zicA1 PRO 16 HG3 -0.63 0.30 -0.24 -0.04 2.03 1.42 2zicA1 PRO 16 HD2 -0.43 0.08 0.23 -0.04 3.68 3.51 2zicA1 PRO 16 HD3 -0.33 0.20 0.02 -0.04 3.65 3.50 2zicA1 LYS 17 H -0.33 0.16 -0.23 -0.55 8.42 7.47 2zicA1 LYS 17 HA 0.09 0.17 0.48 -0.75 4.32 4.31 2zicA1 LYS 17 HB2 -0.37 0.04 0.02 -0.04 1.87 1.52 2zicA1 LYS 17 HB3 -1.08 0.03 0.08 -0.04 1.79 0.78 2zicA1 LYS 17 HG2 -0.21 0.03 -0.02 -0.04 1.46 1.23 2zicA1 LYS 17 HG3 -0.03 -0.00 -0.03 -0.04 1.46 1.36 2zicA1 LYS 17 HD2 -0.34 -0.06 -0.05 -0.04 1.69 1.19 2zicA1 LYS 17 HD3 -0.61 0.02 -0.02 -0.04 1.68 1.03 2zicA1 LYS 17 HE2 -2.29 0.04 -0.00 -0.04 2.99 0.69 2zicA1 LYS 17 HE3 -0.74 -0.01 -0.00 -0.04 2.99 2.20 2zicA1 SER 18 H 0.32 0.52 -0.27 -0.55 8.46 8.48 2zicA1 SER 18 HA 0.44 0.17 0.91 -0.75 4.49 5.26 2zicA1 SER 18 HB2 0.46 0.01 -0.06 -0.04 3.95 4.32 2zicA1 SER 18 HB3 0.16 0.06 -0.26 -0.04 3.93 3.85 2zicA1 PHE 19 H 0.49 0.18 -0.15 -0.55 8.34 8.31 2zicA1 PHE 19 HA 0.32 0.13 0.69 -0.75 4.62 5.00 2zicA1 PHE 19 HB2 0.17 -0.06 -0.11 -0.04 3.15 3.11 2zicA1 PHE 19 HB3 0.20 -0.05 0.06 -0.04 3.06 3.23 2zicA1 PHE 19 HD2 0.19 -0.04 -0.15 -0.04 7.28 7.24 2zicA1 PHE 19 HE2 0.32 0.03 -0.05 -0.04 7.38 7.64 2zicA1 PHE 19 HZ 0.48 0.05 -0.06 -0.04 7.32 7.74 2zicA1 MET 20 H 0.43 0.09 0.05 -0.55 8.47 8.49 2zicA1 MET 20 HA 0.12 0.23 0.62 -0.75 4.52 4.74 2zicA1 MET 20 HB2 -0.21 0.15 -0.24 -0.04 2.15 1.81 2zicA1 MET 20 HB3 0.08 -0.18 -0.17 -0.04 2.03 1.72 2zicA1 MET 20 HG2 -0.36 0.06 -0.06 -0.04 2.63 2.23 2zicA1 MET 20 HG3 -0.19 -0.13 -0.34 -0.04 2.56 1.86 2zicA1 MET 20 HE3 -1.36 -0.02 -0.02 -0.04 2.10 0.66 2zicA1 ASP 21 H -0.75 0.72 0.22 -0.55 8.40 8.05 2zicA1 ASP 21 HA -0.16 0.06 0.88 -0.75 4.63 4.65 2zicA1 ASP 21 HB2 -0.57 0.04 -0.39 -0.04 2.71 1.74 2zicA1 ASP 21 HB3 -0.69 0.22 0.18 -0.04 2.70 2.36 2zicA1 THR 22 H -0.09 0.13 0.19 -0.55 8.28 7.96 2zicA1 THR 22 HA -0.12 0.34 1.04 -0.75 4.39 4.90 2zicA1 THR 22 HB -0.07 0.06 0.12 -0.04 4.32 4.39 2zicA1 THR 22 HG23 -0.10 0.04 -0.31 -0.04 1.22 0.81 2zicA1 ASN 23 H -0.08 -0.03 0.06 -0.55 8.53 7.93 2zicA1 ASN 23 HA -0.05 0.31 0.82 -0.75 4.76 5.09 2zicA1 ASN 23 HB2 -0.03 0.07 0.16 -0.04 2.88 3.03 2zicA1 ASN 23 HB3 -0.04 0.05 -0.14 -0.04 2.79 2.61 2zicA1 ASN 23 HD21 -0.04 0.06 -0.02 -0.04 7.03 6.99 2zicA1 ASN 23 HD22 -0.03 0.04 -0.00 -0.04 7.74 7.70 2zicA1 GLY 24 H -0.08 0.06 -0.03 -0.55 8.43 7.83 2zicA1 GLY 24 HA2 -0.04 -0.17 0.32 -0.51 4.01 3.60 2zicA1 GLY 24 HA3 -0.03 0.21 0.30 -0.51 4.01 3.98 2zicA1 ASP 25 H -0.04 0.01 -0.14 -0.55 8.40 7.70 2zicA1 ASP 25 HA 0.01 0.28 0.85 -0.75 4.63 5.01 2zicA1 ASP 25 HB2 -0.01 0.05 0.15 -0.04 2.71 2.85 2zicA1 ASP 25 HB3 -0.02 0.08 0.01 -0.04 2.70 2.73 2zicA1 GLY 26 H 0.01 -0.11 -0.18 -0.55 8.43 7.60 2zicA1 GLY 26 HA2 0.18 -0.01 0.28 -0.51 4.01 3.95 2zicA1 GLY 26 HA3 0.18 0.28 0.53 -0.51 4.01 4.49 2zicA1 ILE 27 H 0.05 -0.01 -0.23 -0.55 8.25 7.51 2zicA1 ILE 27 HA 0.37 0.29 0.99 -0.75 4.18 5.09 2zicA1 ILE 27 HB -0.07 -0.05 -0.02 -0.04 1.89 1.71 2zicA1 ILE 27 HG12 -0.15 0.05 -0.02 -0.04 1.49 1.33 2zicA1 ILE 27 HG13 0.10 -0.00 -0.47 -0.04 1.21 0.80 2zicA1 ILE 27 HG23 -0.27 0.08 0.02 -0.04 0.93 0.73 2zicA1 ILE 27 HD13 -0.15 -0.01 -0.03 -0.04 0.88 0.65 2zicA1 GLY 28 H 0.35 0.70 0.20 -0.55 8.43 9.13 2zicA1 GLY 28 HA2 0.07 -0.03 -0.05 -0.51 4.01 3.49 2zicA1 GLY 28 HA3 0.33 0.06 0.17 -0.51 4.01 4.05 2zicA1 ASP 29 H 0.10 0.52 0.41 -0.55 8.40 8.88 2zicA1 ASP 29 HA 0.26 0.18 0.81 -0.75 4.63 5.12 2zicA1 ASP 29 HB2 0.06 0.07 0.18 -0.04 2.71 2.98 2zicA1 ASP 29 HB3 0.05 0.28 0.01 -0.04 2.70 3.00 2zicA1 LEU 30 H 0.08 0.66 0.35 -0.55 8.37 8.92 2zicA1 LEU 30 HA -0.03 0.07 0.44 -0.75 4.35 4.07 2zicA1 LEU 30 HB2 0.02 0.03 0.19 -0.04 1.64 1.84 2zicA1 LEU 30 HB3 -0.01 0.05 -0.08 -0.04 1.64 1.56 2zicA1 LEU 30 HG 0.00 0.02 0.06 -0.04 1.64 1.69 2zicA1 LEU 30 HD13 0.02 -0.02 -0.13 -0.04 0.93 0.75 2zicA1 LEU 30 HD23 -0.14 0.01 -0.02 -0.04 0.89 0.71 2zicA1 LYS 31 H 0.01 0.15 -0.04 -0.55 8.42 7.99 2zicA1 LYS 31 HA -0.01 0.10 0.43 -0.75 4.32 4.10 2zicA1 LYS 31 HB2 -0.01 -0.05 0.05 -0.04 1.87 1.81 2zicA1 LYS 31 HB3 -0.03 0.09 -0.02 -0.04 1.79 1.79 2zicA1 LYS 31 HG2 -0.01 0.06 0.04 -0.04 1.46 1.51 2zicA1 LYS 31 HG3 -0.00 -0.09 0.07 -0.04 1.46 1.40 2zicA1 LYS 31 HD2 -0.01 -0.01 0.00 -0.04 1.69 1.62 2zicA1 LYS 31 HD3 -0.02 0.07 -0.01 -0.04 1.68 1.68 2zicA1 LYS 31 HE2 -0.01 0.04 -0.00 -0.04 2.99 2.97 2zicA1 LYS 31 HE3 -0.00 -0.09 0.01 -0.04 2.99 2.86 2zicA1 GLY 32 H 0.02 0.07 -0.39 -0.55 8.43 7.59 2zicA1 GLY 32 HA2 -0.05 0.05 0.29 -0.51 4.01 3.78 2zicA1 GLY 32 HA3 0.03 0.31 0.31 -0.51 4.01 4.15 2zicA1 ILE 33 H 0.09 0.34 -0.08 -0.55 8.25 8.06 2zicA1 ILE 33 HA 0.35 0.02 0.31 -0.75 4.18 4.11 2zicA1 ILE 33 HB -0.03 0.11 0.16 -0.04 1.89 2.09 2zicA1 ILE 33 HG12 -0.22 -0.04 -0.04 -0.04 1.49 1.15 2zicA1 ILE 33 HG13 0.08 0.09 0.04 -0.04 1.21 1.38 2zicA1 ILE 33 HG23 -0.17 0.00 -0.20 -0.04 0.93 0.53 2zicA1 ILE 33 HD13 -0.17 -0.03 -0.08 -0.04 0.88 0.56 2zicA1 THR 34 H 0.01 0.53 -0.07 -0.55 8.28 8.21 2zicA1 THR 34 HA -0.00 0.05 0.33 -0.75 4.39 4.01 2zicA1 THR 34 HB -0.01 0.04 0.12 -0.04 4.32 4.43 2zicA1 THR 34 HG23 -0.01 -0.00 -0.12 -0.04 1.22 1.04 2zicA1 SER 35 H -0.02 0.48 -0.34 -0.55 8.46 8.04 2zicA1 SER 35 HA -0.04 0.02 0.40 -0.75 4.49 4.12 2zicA1 SER 35 HB2 -0.11 -0.06 0.10 -0.04 3.95 3.83 2zicA1 SER 35 HB3 -0.07 -0.01 0.10 -0.04 3.93 3.90 2zicA1 LYS 36 H 0.04 0.53 -0.51 -0.55 8.42 7.92 2zicA1 LYS 36 HA -0.05 0.14 0.94 -0.75 4.32 4.59 2zicA1 LYS 36 HB2 0.36 0.13 0.07 -0.04 1.87 2.38 2zicA1 LYS 36 HB3 0.19 -0.12 0.16 -0.04 1.79 1.98 2zicA1 LYS 36 HG2 -0.44 0.09 -0.18 -0.04 1.46 0.89 2zicA1 LYS 36 HG3 -1.25 -0.02 -0.07 -0.04 1.46 0.08 2zicA1 LYS 36 HD2 -0.75 -0.08 0.01 -0.04 1.69 0.83 2zicA1 LYS 36 HD3 -0.39 0.12 -0.06 -0.04 1.68 1.31 2zicA1 LYS 36 HE2 -0.81 0.02 -0.08 -0.04 2.99 2.08 2zicA1 LYS 36 HE3 -2.29 -0.00 -0.04 -0.04 2.99 0.61 2zicA1 LEU 37 H 0.03 0.45 -0.19 -0.55 8.37 8.12 2zicA1 LEU 37 HA 0.04 0.06 0.44 -0.75 4.35 4.14 2zicA1 LEU 37 HB2 0.01 0.05 0.06 -0.04 1.64 1.72 2zicA1 LEU 37 HB3 0.00 0.08 -0.04 -0.04 1.64 1.64 2zicA1 LEU 37 HG 0.01 0.06 0.06 -0.04 1.64 1.74 2zicA1 LEU 37 HD13 -0.01 0.02 -0.17 -0.04 0.93 0.73 2zicA1 LEU 37 HD23 -0.02 -0.02 -0.11 -0.04 0.89 0.71 2zicA1 ASP 38 H 0.04 0.16 -0.18 -0.55 8.40 7.87 2zicA1 ASP 38 HA 0.03 0.17 0.42 -0.75 4.63 4.49 2zicA1 ASP 38 HB2 0.04 -0.01 0.04 -0.04 2.71 2.74 2zicA1 ASP 38 HB3 0.05 0.03 -0.03 -0.04 2.70 2.70 2zicA1 TYR 39 H 0.18 0.11 -0.38 -0.55 8.29 7.65 2zicA1 TYR 39 HA 0.06 0.08 0.41 -0.75 4.56 4.35 2zicA1 TYR 39 HB2 0.06 -0.03 0.07 -0.04 3.06 3.12 2zicA1 TYR 39 HB3 0.11 0.23 0.13 -0.04 2.98 3.41 2zicA1 TYR 39 HD2 0.17 0.05 -0.05 -0.04 7.15 7.28 2zicA1 TYR 39 HE2 -0.08 -0.03 -0.07 -0.04 6.85 6.63 2zicA1 LEU 40 H 0.10 0.38 -0.14 -0.55 8.37 8.15 2zicA1 LEU 40 HA -0.34 -0.02 0.43 -0.75 4.35 3.67 2zicA1 LEU 40 HB2 -0.05 0.13 0.07 -0.04 1.64 1.76 2zicA1 LEU 40 HB3 -0.19 -0.00 -0.03 -0.04 1.64 1.38 2zicA1 LEU 40 HG 0.18 0.20 0.04 -0.04 1.64 2.02 2zicA1 LEU 40 HD13 -0.14 -0.02 -0.11 -0.04 0.93 0.62 2zicA1 LEU 40 HD23 -0.61 -0.03 -0.08 -0.04 0.89 0.13 2zicA1 GLN 41 H -0.01 0.50 -0.22 -0.55 8.47 8.20 2zicA1 GLN 41 HA -0.01 0.19 0.40 -0.75 4.36 4.18 2zicA1 GLN 41 HB2 0.00 0.05 0.12 -0.04 2.15 2.28 2zicA1 GLN 41 HB3 0.02 -0.03 0.13 -0.04 2.02 2.10 2zicA1 GLN 41 HG2 0.02 -0.04 -0.11 -0.04 2.40 2.23 2zicA1 GLN 41 HG3 0.01 0.26 0.09 -0.04 2.39 2.71 2zicA1 GLN 41 HE21 0.01 -0.06 0.02 -0.04 6.97 6.90 2zicA1 GLN 41 HE22 0.01 0.09 -0.02 -0.04 7.69 7.73 2zicA1 LYS 42 H 0.02 0.43 -0.26 -0.55 8.42 8.05 2zicA1 LYS 42 HA 0.07 0.03 0.39 -0.75 4.32 4.06 2zicA1 LYS 42 HB2 0.08 0.04 0.13 -0.04 1.87 2.08 2zicA1 LYS 42 HB3 0.09 0.07 0.15 -0.04 1.79 2.05 2zicA1 LYS 42 HG2 0.25 0.00 -0.13 -0.04 1.46 1.55 2zicA1 LYS 42 HG3 0.14 -0.01 0.03 -0.04 1.46 1.59 2zicA1 LYS 42 HD2 0.09 -0.03 -0.02 -0.04 1.69 1.69 2zicA1 LYS 42 HD3 0.07 -0.05 -0.03 -0.04 1.68 1.63 2zicA1 LYS 42 HE2 0.11 -0.05 -0.02 -0.04 2.99 2.99 2zicA1 LYS 42 HE3 0.22 0.02 -0.03 -0.04 2.99 3.16 2zicA1 LEU 43 H -0.07 0.39 -0.22 -0.55 8.37 7.92 2zicA1 LEU 43 HA -0.21 -0.04 0.39 -0.75 4.35 3.73 2zicA1 LEU 43 HB2 -0.21 -0.06 0.09 -0.04 1.64 1.41 2zicA1 LEU 43 HB3 -0.19 0.11 0.15 -0.04 1.64 1.67 2zicA1 LEU 43 HG -0.11 0.04 -0.22 -0.04 1.64 1.31 2zicA1 LEU 43 HD13 -0.62 -0.02 -0.00 -0.04 0.93 0.25 2zicA1 LEU 43 HD23 -0.03 -0.05 -0.06 -0.04 0.89 0.71 2zicA1 GLY 44 H -0.04 0.36 -0.39 -0.55 8.43 7.82 2zicA1 GLY 44 HA2 0.01 0.15 0.27 -0.51 4.01 3.93 2zicA1 GLY 44 HA3 0.00 0.12 0.74 -0.51 4.01 4.37 2zicA1 VAL 45 H -0.02 0.04 -0.06 -0.55 8.24 7.64 2zicA1 VAL 45 HA 0.06 0.05 0.44 -0.75 4.13 3.93 2zicA1 VAL 45 HB 0.09 0.03 0.10 -0.04 2.12 2.30 2zicA1 VAL 45 HG13 0.13 -0.03 -0.16 -0.04 0.97 0.87 2zicA1 VAL 45 HG23 -0.05 0.01 -0.07 -0.04 0.95 0.80 2zicA1 MET 46 H 0.10 0.26 0.40 -0.55 8.47 8.69 2zicA1 MET 46 HA 0.07 0.44 0.95 -0.75 4.52 5.23 2zicA1 MET 46 HB2 0.22 -0.15 0.17 -0.04 2.15 2.35 2zicA1 MET 46 HB3 0.28 -0.08 0.12 -0.04 2.03 2.31 2zicA1 MET 46 HG2 0.10 0.09 0.09 -0.04 2.63 2.87 2zicA1 MET 46 HG3 0.10 0.12 0.03 -0.04 2.56 2.77 2zicA1 MET 46 HE3 0.37 -0.02 -0.02 -0.04 2.10 2.39 2zicA1 ALA 47 H 0.11 0.27 0.19 -0.55 8.40 8.42 2zicA1 ALA 47 HA 0.07 0.18 0.67 -0.75 4.34 4.51 2zicA1 ALA 47 HB3 0.23 0.00 -0.15 -0.04 1.41 1.45 2zicA1 ILE 48 H 0.08 0.63 0.30 -0.55 8.25 8.71 2zicA1 ILE 48 HA 0.17 0.29 1.11 -0.75 4.18 4.99 2zicA1 ILE 48 HB 0.02 -0.04 0.09 -0.04 1.89 1.92 2zicA1 ILE 48 HG12 0.05 0.03 -0.12 -0.04 1.49 1.41 2zicA1 ILE 48 HG13 0.02 0.01 -0.40 -0.04 1.21 0.81 2zicA1 ILE 48 HG23 0.00 -0.02 -0.27 -0.04 0.93 0.60 2zicA1 ILE 48 HD13 -0.06 -0.01 -0.16 -0.04 0.88 0.61 2zicA1 TRP 49 H 0.31 0.54 0.10 -0.55 7.97 8.36 2zicA1 TRP 49 HA 0.04 0.21 0.80 -0.75 4.62 4.93 2zicA1 TRP 49 HB2 0.20 0.03 -0.09 -0.04 3.23 3.33 2zicA1 TRP 49 HB3 0.18 -0.04 0.01 -0.04 3.23 3.34 2zicA1 TRP 49 HD1 0.03 0.28 -0.43 -0.04 7.22 7.05 2zicA1 TRP 49 HE1 0.08 -0.04 -0.23 -0.04 10.20 9.97 2zicA1 TRP 49 HE3 0.24 0.06 -0.14 -0.04 7.59 7.71 2zicA1 TRP 49 HZ2 0.16 -0.04 -0.10 -0.04 7.44 7.43 2zicA1 TRP 49 HZ3 -0.42 0.03 -0.12 -0.04 7.13 6.58 2zicA1 TRP 49 HH2 0.05 -0.06 -0.10 -0.04 7.19 7.04 2zicA1 LEU 50 H 0.22 0.63 0.18 -0.55 8.37 8.85 2zicA1 LEU 50 HA -0.17 0.05 0.80 -0.75 4.35 4.27 2zicA1 LEU 50 HB2 -0.09 -0.01 -0.02 -0.04 1.64 1.48 2zicA1 LEU 50 HB3 -0.08 -0.02 0.11 -0.04 1.64 1.62 2zicA1 LEU 50 HG -0.29 0.22 -0.17 -0.04 1.64 1.36 2zicA1 LEU 50 HD13 -0.28 -0.02 -0.02 -0.04 0.93 0.56 2zicA1 LEU 50 HD23 -0.22 -0.03 -0.05 -0.04 0.89 0.54 2zicA1 SER 51 H -0.34 0.50 0.31 -0.55 8.46 8.39 2zicA1 SER 51 HA 0.03 0.01 0.45 -0.75 4.49 4.23 2zicA1 SER 51 HB2 -0.29 0.01 0.28 -0.04 3.95 3.91 2zicA1 SER 51 HB3 -0.23 0.04 0.12 -0.04 3.93 3.81 2zicA1 PRO 52 HA -0.23 -0.04 0.48 -0.51 4.44 4.14 2zicA1 PRO 52 HB2 -0.29 -0.07 0.07 -0.04 2.28 1.94 2zicA1 PRO 52 HB3 0.04 0.09 0.12 -0.04 2.02 2.22 2zicA1 PRO 52 HG2 -1.55 -0.01 -0.13 -0.04 2.03 0.30 2zicA1 PRO 52 HG3 -0.23 0.06 0.08 -0.04 2.03 1.90 2zicA1 PRO 52 HD2 -0.55 0.13 0.14 -0.04 3.68 3.35 2zicA1 PRO 52 HD3 -0.16 0.09 0.23 -0.04 3.65 3.76 2zicA1 VAL 53 H -0.80 0.13 0.20 -0.55 8.24 7.22 2zicA1 VAL 53 HA -0.68 0.19 0.84 -0.75 4.13 3.72 2zicA1 VAL 53 HB -0.43 -0.09 0.16 -0.04 2.12 1.72 2zicA1 VAL 53 HG13 -0.80 0.08 -0.13 -0.04 0.97 0.08 2zicA1 VAL 53 HG23 -0.51 0.01 -0.07 -0.04 0.95 0.34 2zicA1 TYR 54 H -0.05 0.06 0.05 -0.55 8.29 7.80 2zicA1 TYR 54 HA 0.10 0.25 0.81 -0.75 4.56 4.97 2zicA1 TYR 54 HB2 0.00 -0.05 -0.01 -0.04 3.06 2.96 2zicA1 TYR 54 HB3 0.08 0.24 0.24 -0.04 2.98 3.50 2zicA1 TYR 54 HD2 0.11 0.06 0.06 -0.04 7.15 7.33 2zicA1 TYR 54 HE2 -0.43 0.10 0.11 -0.04 6.85 6.59 2zicA1 ASP 55 H 0.17 0.60 0.19 -0.55 8.40 8.80 2zicA1 ASP 55 HA 0.03 -0.06 0.37 -0.75 4.63 4.21 2zicA1 ASP 55 HB2 0.02 0.07 -0.08 -0.04 2.71 2.68 2zicA1 ASP 55 HB3 -0.02 -0.04 0.15 -0.04 2.70 2.76 2zicA1 SER 56 H -0.01 0.22 0.25 -0.55 8.46 8.38 2zicA1 SER 56 HA -0.01 0.07 0.73 -0.75 4.49 4.53 2zicA1 SER 56 HB2 0.04 0.13 -0.22 -0.04 3.95 3.86 2zicA1 SER 56 HB3 0.04 0.10 -0.04 -0.04 3.93 3.98 2zicA1 PRO 57 HA -0.02 0.18 0.50 -0.51 4.44 4.59 2zicA1 PRO 57 HB2 0.01 -0.12 0.05 -0.04 2.28 2.18 2zicA1 PRO 57 HB3 -0.00 0.13 0.12 -0.04 2.02 2.22 2zicA1 PRO 57 HG2 -0.00 -0.01 0.06 -0.04 2.03 2.03 2zicA1 PRO 57 HG3 -0.01 0.11 0.02 -0.04 2.03 2.10 2zicA1 PRO 57 HD2 0.01 0.18 0.26 -0.04 3.68 4.10 2zicA1 PRO 57 HD3 -0.02 0.09 0.18 -0.04 3.65 3.87 2zicA1 MET 58 H 0.01 0.04 -0.33 -0.55 8.47 7.65 2zicA1 MET 58 HA 0.03 -0.31 0.27 -0.75 4.52 3.75 2zicA1 MET 58 HB2 -0.03 0.38 0.10 -0.04 2.15 2.57 2zicA1 MET 58 HB3 -0.03 -0.01 0.19 -0.04 2.03 2.14 2zicA1 MET 58 HG2 -0.07 0.18 -0.36 -0.04 2.63 2.33 2zicA1 MET 58 HG3 -0.14 0.08 -0.09 -0.04 2.56 2.37 2zicA1 MET 58 HE3 -0.21 0.05 -0.06 -0.04 2.10 1.83 2zicA1 ASP 59 H 0.04 0.08 -0.23 -0.55 8.40 7.75 2zicA1 ASP 59 HA 0.04 0.22 0.41 -0.75 4.63 4.54 2zicA1 ASP 59 HB2 0.04 0.05 0.03 -0.04 2.71 2.79 2zicA1 ASP 59 HB3 0.07 -0.05 -0.05 -0.04 2.70 2.63 2zicA1 ASP 60 H 0.12 -0.08 -0.37 -0.55 8.40 7.51 2zicA1 ASP 60 HA 0.12 0.24 0.71 -0.75 4.63 4.94 2zicA1 ASP 60 HB2 0.23 0.01 -0.21 -0.04 2.71 2.71 2zicA1 ASP 60 HB3 0.26 -0.11 -0.13 -0.04 2.70 2.67 2zicA1 ASN 61 H 0.11 0.50 -0.52 -0.55 8.53 8.08 2zicA1 ASN 61 HA 0.04 0.05 0.31 -0.75 4.76 4.41 2zicA1 ASN 61 HB2 0.32 0.04 -0.23 -0.04 2.88 2.97 2zicA1 ASN 61 HB3 0.13 0.04 0.12 -0.04 2.79 3.04 2zicA1 ASN 61 HD21 0.28 0.08 -0.12 -0.04 7.03 7.23 2zicA1 ASN 61 HD22 0.26 -0.09 -0.19 -0.04 7.74 7.68 2zicA1 GLY 62 H 0.07 -0.14 -0.16 -0.55 8.43 7.66 2zicA1 GLY 62 HA2 0.04 0.04 0.21 -0.51 4.01 3.79 2zicA1 GLY 62 HA3 -0.06 0.36 0.67 -0.51 4.01 4.47 2zicA1 TYR 63 H 0.25 0.46 -0.47 -0.55 8.29 7.99 2zicA1 TYR 63 HA 0.14 0.19 0.63 -0.75 4.56 4.77 2zicA1 TYR 63 HB2 0.17 0.11 0.03 -0.04 3.06 3.32 2zicA1 TYR 63 HB3 0.17 -0.03 0.09 -0.04 2.98 3.16 2zicA1 TYR 63 HD2 0.18 0.09 -0.01 -0.04 7.15 7.37 2zicA1 TYR 63 HE2 0.20 0.00 -0.03 -0.04 6.85 6.99 2zicA1 ASP 64 H 0.13 -0.06 -0.66 -0.55 8.40 7.26 2zicA1 ASP 64 HA 0.18 0.29 0.55 -0.75 4.63 4.90 2zicA1 ASP 64 HB2 0.07 0.15 0.06 -0.04 2.71 2.95 2zicA1 ASP 64 HB3 0.14 0.08 -0.16 -0.04 2.70 2.72 2zicA1 ILE 65 H 0.02 0.32 -0.12 -0.55 8.25 7.92 2zicA1 ILE 65 HA -0.05 0.22 0.72 -0.75 4.18 4.32 2zicA1 ILE 65 HB -0.36 0.08 0.15 -0.04 1.89 1.72 2zicA1 ILE 65 HG12 0.01 0.04 -0.06 -0.04 1.49 1.44 2zicA1 ILE 65 HG13 -0.01 -0.04 -0.13 -0.04 1.21 1.00 2zicA1 ILE 65 HG23 -0.46 0.01 -0.26 -0.04 0.93 0.17 2zicA1 ILE 65 HD13 -0.21 0.03 0.08 -0.04 0.88 0.74 2zicA1 ALA 66 H -0.09 0.78 0.34 -0.55 8.40 8.88 2zicA1 ALA 66 HA -0.10 0.04 0.70 -0.75 4.34 4.22 2zicA1 ALA 66 HB3 -0.09 0.03 -0.14 -0.04 1.41 1.16 2zicA1 ASN 67 H -0.22 0.25 -0.04 -0.55 8.53 7.97 2zicA1 ASN 67 HA -0.51 0.07 0.54 -0.75 4.76 4.10 2zicA1 ASN 67 HB2 -0.23 0.16 -0.14 -0.04 2.88 2.63 2zicA1 ASN 67 HB3 -0.09 -0.06 0.12 -0.04 2.79 2.72 2zicA1 ASN 67 HD21 -0.11 0.07 -0.04 -0.04 7.03 6.91 2zicA1 ASN 67 HD22 -0.13 0.04 -0.01 -0.04 7.74 7.60 2zicA1 TYR 68 H -0.21 0.21 0.10 -0.55 8.29 7.84 2zicA1 TYR 68 HA -0.17 0.08 0.46 -0.75 4.56 4.19 2zicA1 TYR 68 HB2 -0.02 0.01 0.08 -0.04 3.06 3.09 2zicA1 TYR 68 HB3 0.10 0.09 0.08 -0.04 2.98 3.21 2zicA1 TYR 68 HD2 -0.31 -0.00 0.04 -0.04 7.15 6.84 2zicA1 TYR 68 HE2 -0.18 0.07 0.04 -0.04 6.85 6.73 2zicA1 GLU 69 H 0.03 -0.02 -0.36 -0.55 8.60 7.70 2zicA1 GLU 69 HA 0.27 0.30 0.91 -0.75 4.29 5.01 2zicA1 GLU 69 HB2 -0.28 -0.05 0.04 -0.04 2.09 1.75 2zicA1 GLU 69 HB3 -0.74 0.05 0.17 -0.04 1.99 1.43 2zicA1 GLU 69 HG2 -1.57 0.11 -0.03 -0.04 2.34 0.80 2zicA1 GLU 69 HG3 -0.16 -0.12 -0.31 -0.04 2.34 1.71 2zicA1 ALA 70 H 0.23 0.36 -0.14 -0.55 8.40 8.29 2zicA1 ALA 70 HA 0.12 0.18 0.89 -0.75 4.34 4.77 2zicA1 ALA 70 HB3 0.02 0.01 -0.00 -0.04 1.41 1.40 2zicA1 ILE 71 H 0.14 0.10 0.10 -0.55 8.25 8.04 2zicA1 ILE 71 HA 0.15 0.24 0.66 -0.75 4.18 4.48 2zicA1 ILE 71 HB 0.10 -0.12 -0.12 -0.04 1.89 1.71 2zicA1 ILE 71 HG12 0.21 -0.06 -0.12 -0.04 1.49 1.48 2zicA1 ILE 71 HG13 0.13 -0.01 -0.44 -0.04 1.21 0.85 2zicA1 ILE 71 HG23 0.11 0.09 -0.28 -0.04 0.93 0.81 2zicA1 ILE 71 HD13 0.19 0.03 -0.15 -0.04 0.88 0.91 2zicA1 ALA 72 H 0.19 0.57 -0.01 -0.55 8.40 8.59 2zicA1 ALA 72 HA 0.01 -0.04 0.39 -0.75 4.34 3.95 2zicA1 ALA 72 HB3 -0.01 0.09 -0.09 -0.04 1.41 1.36 2zicA1 ASP 73 H -0.05 0.12 0.21 -0.55 8.40 8.13 2zicA1 ASP 73 HA -0.02 0.25 0.42 -0.75 4.63 4.52 2zicA1 ASP 73 HB2 -0.07 -0.04 0.12 -0.04 2.71 2.68 2zicA1 ASP 73 HB3 -0.05 0.04 0.05 -0.04 2.70 2.70 2zicA1 ILE 74 H -0.24 0.01 -0.35 -0.55 8.25 7.13 2zicA1 ILE 74 HA -0.18 0.09 0.36 -0.75 4.18 3.70 2zicA1 ILE 74 HB -0.31 -0.02 0.05 -0.04 1.89 1.57 2zicA1 ILE 74 HG12 -0.37 0.01 -0.03 -0.04 1.49 1.06 2zicA1 ILE 74 HG13 -0.33 0.06 -0.02 -0.04 1.21 0.88 2zicA1 ILE 74 HG23 -1.10 -0.01 -0.16 -0.04 0.93 -0.38 2zicA1 ILE 74 HD13 -0.14 0.00 0.02 -0.04 0.88 0.72 2zicA1 PHE 75 H -0.18 0.50 -0.28 -0.55 8.34 7.83 2zicA1 PHE 75 HA -0.07 0.20 0.85 -0.75 4.62 4.85 2zicA1 PHE 75 HB2 -0.07 0.12 0.02 -0.04 3.15 3.18 2zicA1 PHE 75 HB3 -0.08 -0.17 0.13 -0.04 3.06 2.91 2zicA1 PHE 75 HD2 -0.11 0.13 -0.01 -0.04 7.28 7.26 2zicA1 PHE 75 HE2 -0.19 -0.01 -0.18 -0.04 7.38 6.96 2zicA1 PHE 75 HZ -0.26 -0.00 -0.08 -0.04 7.32 6.94 2zicA1 GLY 76 H 0.02 0.46 -0.19 -0.55 8.43 8.17 2zicA1 GLY 76 HA2 0.01 0.08 0.28 -0.51 4.01 3.87 2zicA1 GLY 76 HA3 0.04 0.01 0.95 -0.51 4.01 4.50 2zicA1 ASN 77 H 0.04 0.10 0.19 -0.55 8.53 8.32 2zicA1 ASN 77 HA 0.05 0.27 0.69 -0.75 4.76 5.02 2zicA1 ASN 77 HB2 0.03 -0.07 0.23 -0.04 2.88 3.03 2zicA1 ASN 77 HB3 0.02 0.20 -0.10 -0.04 2.79 2.87 2zicA1 ASN 77 HD21 0.01 0.06 -0.00 -0.04 7.03 7.06 2zicA1 ASN 77 HD22 0.01 0.12 -0.01 -0.04 7.74 7.81 2zicA1 MET 78 H 0.05 0.25 0.20 -0.55 8.47 8.43 2zicA1 MET 78 HA 0.11 0.11 0.46 -0.75 4.52 4.44 2zicA1 MET 78 HB2 0.08 0.01 0.19 -0.04 2.15 2.39 2zicA1 MET 78 HB3 0.04 0.03 0.11 -0.04 2.03 2.18 2zicA1 MET 78 HG2 0.05 0.09 0.04 -0.04 2.63 2.78 2zicA1 MET 78 HG3 0.03 0.01 -0.01 -0.04 2.56 2.55 2zicA1 MET 78 HE3 0.19 -0.01 -0.04 -0.04 2.10 2.19 2zicA1 ALA 79 H 0.03 0.07 -0.16 -0.55 8.40 7.79 2zicA1 ALA 79 HA 0.02 0.17 0.46 -0.75 4.34 4.23 2zicA1 ALA 79 HB3 0.01 0.03 0.06 -0.04 1.41 1.47 2zicA1 ASP 80 H 0.03 0.03 -0.23 -0.55 8.40 7.68 2zicA1 ASP 80 HA 0.01 0.12 0.41 -0.75 4.63 4.41 2zicA1 ASP 80 HB2 0.03 0.09 0.17 -0.04 2.71 2.96 2zicA1 ASP 80 HB3 0.01 -0.01 0.02 -0.04 2.70 2.69 2zicA1 MET 81 H 0.05 0.33 -0.18 -0.55 8.47 8.12 2zicA1 MET 81 HA 0.02 0.03 0.41 -0.75 4.52 4.23 2zicA1 MET 81 HB2 0.10 -0.04 0.06 -0.04 2.15 2.24 2zicA1 MET 81 HB3 0.13 0.11 0.16 -0.04 2.03 2.39 2zicA1 MET 81 HG2 0.41 -0.00 -0.05 -0.04 2.63 2.94 2zicA1 MET 81 HG3 0.21 0.07 -0.18 -0.04 2.56 2.62 2zicA1 MET 81 HE3 0.00 0.01 -0.03 -0.04 2.10 2.04 2zicA1 ASP 82 H 0.04 0.56 -0.07 -0.55 8.40 8.39 2zicA1 ASP 82 HA 0.03 0.10 0.44 -0.75 4.63 4.44 2zicA1 ASP 82 HB2 0.01 0.03 0.18 -0.04 2.71 2.88 2zicA1 ASP 82 HB3 -0.00 0.02 0.06 -0.04 2.70 2.74 2zicA1 ASN 83 H 0.01 0.47 -0.19 -0.55 8.53 8.27 2zicA1 ASN 83 HA -0.00 0.04 0.44 -0.75 4.76 4.48 2zicA1 ASN 83 HB2 -0.00 0.04 0.13 -0.04 2.88 3.00 2zicA1 ASN 83 HB3 -0.00 0.05 0.09 -0.04 2.79 2.89 2zicA1 ASN 83 HD21 -0.01 0.02 -0.02 -0.04 7.03 6.97 2zicA1 ASN 83 HD22 -0.01 -0.04 -0.04 -0.04 7.74 7.61 2zicA1 LEU 84 H 0.00 0.41 -0.30 -0.55 8.37 7.93 2zicA1 LEU 84 HA -0.01 -0.00 0.43 -0.75 4.35 4.01 2zicA1 LEU 84 HB2 -0.02 -0.05 0.10 -0.04 1.64 1.63 2zicA1 LEU 84 HB3 -0.01 0.18 0.21 -0.04 1.64 1.98 2zicA1 LEU 84 HG -0.03 0.06 -0.29 -0.04 1.64 1.33 2zicA1 LEU 84 HD13 -0.04 -0.02 -0.07 -0.04 0.93 0.77 2zicA1 LEU 84 HD23 -0.07 -0.03 -0.03 -0.04 0.89 0.72 2zicA1 LEU 85 H 0.00 0.47 -0.10 -0.55 8.37 8.20 2zicA1 LEU 85 HA -0.02 0.00 0.39 -0.75 4.35 3.97 2zicA1 LEU 85 HB2 0.01 0.12 0.22 -0.04 1.64 1.94 2zicA1 LEU 85 HB3 -0.01 0.09 0.03 -0.04 1.64 1.71 2zicA1 LEU 85 HG 0.03 -0.05 0.04 -0.04 1.64 1.62 2zicA1 LEU 85 HD13 0.10 0.03 -0.06 -0.04 0.93 0.95 2zicA1 LEU 85 HD23 0.01 0.00 -0.09 -0.04 0.89 0.77 2zicA1 THR 86 H -0.01 0.49 -0.12 -0.55 8.28 8.09 2zicA1 THR 86 HA -0.02 0.06 0.42 -0.75 4.39 4.10 2zicA1 THR 86 HB -0.01 0.01 0.21 -0.04 4.32 4.49 2zicA1 THR 86 HG23 -0.01 -0.01 -0.09 -0.04 1.22 1.06 2zicA1 GLN 87 H -0.01 0.73 0.05 -0.55 8.47 8.69 2zicA1 GLN 87 HA -0.01 -0.00 0.40 -0.75 4.36 3.99 2zicA1 GLN 87 HB2 -0.01 0.04 0.13 -0.04 2.15 2.26 2zicA1 GLN 87 HB3 -0.01 -0.04 0.04 -0.04 2.02 1.97 2zicA1 GLN 87 HG2 -0.01 0.24 0.17 -0.04 2.40 2.76 2zicA1 GLN 87 HG3 -0.01 -0.09 0.00 -0.04 2.39 2.25 2zicA1 GLN 87 HE21 -0.01 -0.01 -0.01 -0.04 6.97 6.90 2zicA1 GLN 87 HE22 -0.01 -0.04 0.02 -0.04 7.69 7.62 2zicA1 ALA 88 H -0.02 0.58 -0.26 -0.55 8.40 8.15 2zicA1 ALA 88 HA -0.02 -0.02 0.42 -0.75 4.34 3.97 2zicA1 ALA 88 HB3 -0.03 -0.01 0.01 -0.04 1.41 1.34 2zicA1 LYS 89 H -0.04 0.53 -0.07 -0.55 8.42 8.30 2zicA1 LYS 89 HA -0.07 0.06 0.43 -0.75 4.32 3.98 2zicA1 LYS 89 HB2 -0.05 0.11 0.21 -0.04 1.87 2.09 2zicA1 LYS 89 HB3 -0.04 0.06 0.19 -0.04 1.79 1.96 2zicA1 LYS 89 HG2 -0.05 -0.05 -0.09 -0.04 1.46 1.23 2zicA1 LYS 89 HG3 -0.08 -0.02 0.07 -0.04 1.46 1.38 2zicA1 LYS 89 HD2 -0.07 -0.03 0.02 -0.04 1.69 1.57 2zicA1 LYS 89 HD3 -0.06 0.06 0.04 -0.04 1.68 1.68 2zicA1 LYS 89 HE2 -0.04 -0.02 0.01 -0.04 2.99 2.90 2zicA1 LYS 89 HE3 -0.03 0.02 0.02 -0.04 2.99 2.96 2zicA1 MET 90 H -0.03 0.47 -0.20 -0.55 8.47 8.16 2zicA1 MET 90 HA -0.02 -0.01 0.40 -0.75 4.52 4.13 2zicA1 MET 90 HB2 -0.02 0.16 0.12 -0.04 2.15 2.37 2zicA1 MET 90 HB3 -0.01 -0.07 0.05 -0.04 2.03 1.96 2zicA1 MET 90 HG2 -0.01 -0.06 0.05 -0.04 2.63 2.57 2zicA1 MET 90 HG3 -0.02 0.12 0.05 -0.04 2.56 2.67 2zicA1 MET 90 HE3 -0.01 -0.01 -0.00 -0.04 2.10 2.04 2zicA1 ARG 91 H -0.02 0.37 -0.74 -0.55 8.46 7.52 2zicA1 ARG 91 HA -0.01 0.14 0.87 -0.75 4.34 4.60 2zicA1 ARG 91 HB2 -0.01 0.06 0.07 -0.04 1.90 1.98 2zicA1 ARG 91 HB3 -0.00 -0.05 0.13 -0.04 1.80 1.84 2zicA1 ARG 91 HG2 -0.00 -0.03 -0.11 -0.04 1.67 1.48 2zicA1 ARG 91 HG3 -0.01 0.04 -0.23 -0.04 1.67 1.43 2zicA1 ARG 91 HD2 -0.00 0.04 -0.13 -0.04 3.22 3.09 2zicA1 ARG 91 HD3 0.01 -0.04 -0.28 -0.04 3.22 2.86 2zicA1 GLY 92 H -0.03 0.44 -0.18 -0.55 8.43 8.11 2zicA1 GLY 92 HA2 -0.05 -0.02 0.32 -0.51 4.01 3.74 2zicA1 GLY 92 HA3 -0.02 0.04 0.43 -0.51 4.01 3.96 2zicA1 ILE 93 H -0.04 0.50 -0.09 -0.55 8.25 8.07 2zicA1 ILE 93 HA -0.02 0.35 0.90 -0.75 4.18 4.65 2zicA1 ILE 93 HB -0.03 -0.07 -0.05 -0.04 1.89 1.70 2zicA1 ILE 93 HG12 -0.00 0.26 -0.28 -0.04 1.49 1.43 2zicA1 ILE 93 HG13 -0.01 0.18 -0.52 -0.04 1.21 0.82 2zicA1 ILE 93 HG23 -0.01 -0.07 -0.40 -0.04 0.93 0.42 2zicA1 ILE 93 HD13 -0.02 -0.07 -0.21 -0.04 0.88 0.54 2zicA1 LYS 94 H -0.05 0.60 0.27 -0.55 8.42 8.68 2zicA1 LYS 94 HA -0.11 0.18 0.80 -0.75 4.32 4.44 2zicA1 LYS 94 HB2 -0.17 0.03 0.12 -0.04 1.87 1.81 2zicA1 LYS 94 HB3 -0.17 -0.12 0.07 -0.04 1.79 1.53 2zicA1 LYS 94 HG2 -0.32 0.05 -0.03 -0.04 1.46 1.11 2zicA1 LYS 94 HG3 -0.38 0.07 -0.13 -0.04 1.46 0.98 2zicA1 LYS 94 HD2 -1.99 -0.01 -0.00 -0.04 1.69 -0.35 2zicA1 LYS 94 HD3 -0.82 -0.02 0.05 -0.04 1.68 0.85 2zicA1 LYS 94 HE2 -0.55 0.01 -0.01 -0.04 2.99 2.40 2zicA1 LYS 94 HE3 -0.74 0.03 -0.03 -0.04 2.99 2.21 2zicA1 ILE 95 H -0.06 0.23 0.21 -0.55 8.25 8.09 2zicA1 ILE 95 HA 0.00 0.22 1.06 -0.75 4.18 4.70 2zicA1 ILE 95 HB -0.04 -0.02 0.14 -0.04 1.89 1.93 2zicA1 ILE 95 HG12 -0.04 0.10 -0.10 -0.04 1.49 1.42 2zicA1 ILE 95 HG13 -0.03 -0.04 -0.12 -0.04 1.21 0.97 2zicA1 ILE 95 HG23 -0.06 -0.02 -0.19 -0.04 0.93 0.62 2zicA1 ILE 95 HD13 -0.03 0.03 -0.25 -0.04 0.88 0.59 2zicA1 ILE 96 H 0.07 0.85 0.31 -0.55 8.25 8.93 2zicA1 ILE 96 HA -0.07 0.16 0.76 -0.75 4.18 4.26 2zicA1 ILE 96 HB 0.17 -0.03 0.01 -0.04 1.89 2.00 2zicA1 ILE 96 HG12 0.04 0.04 -0.41 -0.04 1.49 1.12 2zicA1 ILE 96 HG13 0.11 -0.03 -0.41 -0.04 1.21 0.83 2zicA1 ILE 96 HG23 -0.06 -0.01 -0.48 -0.04 0.93 0.33 2zicA1 ILE 96 HD13 0.10 0.00 -0.30 -0.04 0.88 0.65 2zicA1 MET 97 H -0.15 0.38 0.21 -0.55 8.47 8.37 2zicA1 MET 97 HA -0.04 0.12 0.61 -0.75 4.52 4.46 2zicA1 MET 97 HB2 -0.02 0.04 0.09 -0.04 2.15 2.21 2zicA1 MET 97 HB3 -0.14 -0.01 0.03 -0.04 2.03 1.87 2zicA1 MET 97 HG2 -0.18 0.03 -0.00 -0.04 2.63 2.44 2zicA1 MET 97 HG3 -0.45 0.02 0.01 -0.04 2.56 2.10 2zicA1 MET 97 HE3 -1.16 -0.02 -0.02 -0.04 2.10 0.86 2zicA1 ASP 98 H 0.09 0.20 0.17 -0.55 8.40 8.32 2zicA1 ASP 98 HA 0.16 0.12 0.79 -0.75 4.63 4.95 2zicA1 ASP 98 HB2 0.33 0.25 0.17 -0.04 2.71 3.41 2zicA1 ASP 98 HB3 0.19 -0.10 0.16 -0.04 2.70 2.91 2zicA1 LEU 99 H 0.06 0.83 0.38 -0.55 8.37 9.09 2zicA1 LEU 99 HA -0.06 0.10 0.72 -0.75 4.35 4.36 2zicA1 LEU 99 HB2 -0.19 0.05 -0.01 -0.04 1.64 1.45 2zicA1 LEU 99 HB3 -0.12 -0.05 0.11 -0.04 1.64 1.54 2zicA1 LEU 99 HG -0.16 -0.11 -0.20 -0.04 1.64 1.13 2zicA1 LEU 99 HD13 -0.40 0.02 -0.05 -0.04 0.93 0.45 2zicA1 LEU 99 HD23 -0.36 0.01 -0.09 -0.04 0.89 0.41 2zicA1 VAL 100 H -0.04 0.26 0.10 -0.55 8.24 8.02 2zicA1 VAL 100 HA 0.00 0.09 0.94 -0.75 4.13 4.41 2zicA1 VAL 100 HB 0.08 0.01 0.26 -0.04 2.12 2.43 2zicA1 VAL 100 HG13 -0.00 0.02 0.05 -0.04 0.97 1.00 2zicA1 VAL 100 HG23 0.16 0.04 -0.16 -0.04 0.95 0.95 2zicA1 VAL 101 H -0.03 0.22 -0.04 -0.55 8.24 7.85 2zicA1 VAL 101 HA 0.12 0.32 1.04 -0.75 4.13 4.86 2zicA1 VAL 101 HB 0.34 0.04 0.11 -0.04 2.12 2.57 2zicA1 VAL 101 HG13 -0.23 -0.02 -0.18 -0.04 0.97 0.50 2zicA1 VAL 101 HG23 0.13 0.01 -0.12 -0.04 0.95 0.93 2zicA1 ASN 102 H -0.10 0.09 -0.04 -0.55 8.53 7.93 2zicA1 ASN 102 HA 0.22 0.18 0.68 -0.75 4.76 5.08 2zicA1 ASN 102 HB2 0.01 0.06 0.03 -0.04 2.88 2.94 2zicA1 ASN 102 HB3 0.10 -0.04 0.02 -0.04 2.79 2.83 2zicA1 ASN 102 HD21 0.43 -0.05 -0.06 -0.04 7.03 7.31 2zicA1 ASN 102 HD22 0.92 -0.01 -0.23 -0.04 7.74 8.38 2zicA1 HIS 103 H -0.23 0.19 -0.13 -0.55 8.41 7.69 2zicA1 HIS 103 HA 0.21 0.10 0.59 -0.75 4.63 4.78 2zicA1 HIS 103 HB2 0.16 0.23 -0.35 -0.04 3.26 3.26 2zicA1 HIS 103 HB3 0.21 -0.02 -0.27 -0.04 3.20 3.08 2zicA1 HIS 103 HD2 0.11 0.02 -0.25 -0.04 6.97 6.81 2zicA1 HIS 103 HE1 -0.30 -0.04 -0.10 -0.04 7.75 7.26 2zicA1 THR 104 H 0.28 0.61 0.10 -0.55 8.28 8.72 2zicA1 THR 104 HA 0.06 0.11 0.92 -0.75 4.39 4.73 2zicA1 THR 104 HB -0.11 0.04 0.23 -0.04 4.32 4.44 2zicA1 THR 104 HG23 0.10 -0.00 -0.18 -0.04 1.22 1.10 2zicA1 SER 105 H 0.01 0.65 0.11 -0.55 8.46 8.69 2zicA1 SER 105 HA 0.01 0.33 0.56 -0.75 4.49 4.64 2zicA1 SER 105 HB2 0.01 0.10 -0.49 -0.04 3.95 3.53 2zicA1 SER 105 HB3 -0.01 0.08 -0.52 -0.04 3.93 3.44 2zicA1 ASP 106 H -0.11 0.29 0.15 -0.55 8.40 8.19 2zicA1 ASP 106 HA -0.67 0.17 0.52 -0.75 4.63 3.90 2zicA1 ASP 106 HB2 -0.41 0.05 0.12 -0.04 2.71 2.42 2zicA1 ASP 106 HB3 -0.49 0.09 0.06 -0.04 2.70 2.32 2zicA1 GLU 107 H -0.00 -0.07 -0.52 -0.55 8.60 7.46 2zicA1 GLU 107 HA 0.07 0.26 0.75 -0.75 4.29 4.61 2zicA1 GLU 107 HB2 -0.00 -0.09 -0.02 -0.04 2.09 1.93 2zicA1 GLU 107 HB3 -0.00 0.03 0.08 -0.04 1.99 2.06 2zicA1 GLU 107 HG2 0.03 0.11 -0.06 -0.04 2.34 2.37 2zicA1 GLU 107 HG3 0.01 -0.09 -0.20 -0.04 2.34 2.03 2zicA1 HIS 108 H 0.13 0.27 -0.34 -0.55 8.41 7.92 2zicA1 HIS 108 HA -0.13 0.29 0.63 -0.75 4.63 4.67 2zicA1 HIS 108 HB2 -0.12 0.13 0.24 -0.04 3.26 3.47 2zicA1 HIS 108 HB3 0.09 -0.05 0.05 -0.04 3.20 3.24 2zicA1 HIS 108 HD2 -0.68 0.07 -0.19 -0.04 6.97 6.12 2zicA1 HIS 108 HE1 -2.35 0.06 0.03 -0.04 7.75 5.45 2zicA1 ALA 109 H -0.45 0.24 0.21 -0.55 8.40 7.86 2zicA1 ALA 109 HA 0.08 0.13 0.37 -0.75 4.34 4.17 2zicA1 ALA 109 HB3 -0.02 0.02 0.10 -0.04 1.41 1.47 2zicA1 TRP 110 H 0.72 0.09 -0.19 -0.55 7.97 8.04 2zicA1 TRP 110 HA 0.25 0.06 0.33 -0.75 4.62 4.51 2zicA1 TRP 110 HB2 0.31 -0.00 -0.01 -0.04 3.23 3.49 2zicA1 TRP 110 HB3 0.52 0.09 -0.05 -0.04 3.23 3.74 2zicA1 TRP 110 HD1 0.28 -0.02 -0.07 -0.04 7.22 7.37 2zicA1 TRP 110 HE1 0.22 0.04 -0.02 -0.04 10.20 10.39 2zicA1 TRP 110 HE3 -0.24 0.04 -0.06 -0.04 7.59 7.29 2zicA1 TRP 110 HZ2 0.04 0.03 -0.04 -0.04 7.44 7.44 2zicA1 TRP 110 HZ3 -0.13 0.06 -0.06 -0.04 7.13 6.96 2zicA1 TRP 110 HH2 -0.08 0.04 -0.11 -0.04 7.19 7.00 2zicA1 PHE 111 H 0.58 0.12 -0.34 -0.55 8.34 8.15 2zicA1 PHE 111 HA -0.06 0.10 0.36 -0.75 4.62 4.26 2zicA1 PHE 111 HB2 -0.15 0.01 -0.00 -0.04 3.15 2.96 2zicA1 PHE 111 HB3 -0.04 0.12 -0.11 -0.04 3.06 2.99 2zicA1 PHE 111 HD2 -1.19 0.15 -0.07 -0.04 7.28 6.13 2zicA1 PHE 111 HE2 -0.64 0.00 -0.03 -0.04 7.38 6.67 2zicA1 PHE 111 HZ -1.35 0.01 -0.03 -0.04 7.32 5.91 2zicA1 ILE 112 H 0.23 0.42 -0.26 -0.55 8.25 8.09 2zicA1 ILE 112 HA 0.02 0.06 0.36 -0.75 4.18 3.86 2zicA1 ILE 112 HB 0.10 0.04 0.06 -0.04 1.89 2.05 2zicA1 ILE 112 HG12 0.09 0.00 0.01 -0.04 1.49 1.54 2zicA1 ILE 112 HG13 0.14 0.19 -0.16 -0.04 1.21 1.33 2zicA1 ILE 112 HG23 0.04 -0.01 -0.10 -0.04 0.93 0.81 2zicA1 ILE 112 HD13 0.04 -0.03 -0.08 -0.04 0.88 0.76 2zicA1 GLU 113 H 0.15 0.48 -0.34 -0.55 8.60 8.34 2zicA1 GLU 113 HA 0.13 0.04 0.45 -0.75 4.29 4.16 2zicA1 GLU 113 HB2 0.13 0.01 0.06 -0.04 2.09 2.25 2zicA1 GLU 113 HB3 0.15 0.10 0.09 -0.04 1.99 2.28 2zicA1 GLU 113 HG2 0.02 -0.10 -0.03 -0.04 2.34 2.19 2zicA1 GLU 113 HG3 0.04 0.03 -0.20 -0.04 2.34 2.16 2zicA1 ALA 114 H 0.06 0.48 -0.21 -0.55 8.40 8.18 2zicA1 ALA 114 HA -0.04 -0.03 0.13 -0.75 4.34 3.64 2zicA1 ALA 114 HB3 0.11 0.05 -0.07 -0.04 1.41 1.46 2zicA1 ARG 115 H -0.28 0.53 -0.33 -0.55 8.46 7.82 2zicA1 ARG 115 HA -0.31 0.06 0.47 -0.75 4.34 3.80 2zicA1 ARG 115 HB2 -0.45 -0.03 0.02 -0.04 1.90 1.40 2zicA1 ARG 115 HB3 -0.24 0.07 0.08 -0.04 1.80 1.67 2zicA1 ARG 115 HG2 -0.11 0.04 -0.25 -0.04 1.67 1.31 2zicA1 ARG 115 HG3 -0.11 -0.10 -0.01 -0.04 1.67 1.41 2zicA1 ARG 115 HD2 0.02 -0.09 -0.02 -0.04 3.22 3.09 2zicA1 ARG 115 HD3 0.05 -0.02 -0.01 -0.04 3.22 3.19 2zicA1 GLU 116 H -0.12 0.50 -0.12 -0.55 8.60 8.31 2zicA1 GLU 116 HA -0.22 0.01 0.42 -0.75 4.29 3.75 2zicA1 GLU 116 HB2 -0.07 0.09 0.16 -0.04 2.09 2.22 2zicA1 GLU 116 HB3 -0.01 -0.04 0.12 -0.04 1.99 2.02 2zicA1 GLU 116 HG2 -0.70 -0.01 -0.07 -0.04 2.34 1.51 2zicA1 GLU 116 HG3 -0.20 -0.03 0.06 -0.04 2.34 2.13 2zicA1 HIS 117 H -0.04 0.75 -0.21 -0.55 8.41 8.37 2zicA1 HIS 117 HA -0.09 0.22 0.87 -0.75 4.63 4.87 2zicA1 HIS 117 HB2 -0.07 -0.03 0.19 -0.04 3.26 3.32 2zicA1 HIS 117 HB3 -0.07 -0.11 0.10 -0.04 3.20 3.08 2zicA1 HIS 117 HD2 -0.04 -0.00 -0.04 -0.04 6.97 6.85 2zicA1 HIS 117 HE1 -0.03 -0.01 -0.03 -0.04 7.75 7.63 2zicA1 PRO 118 HA -0.25 0.19 0.44 -0.51 4.44 4.30 2zicA1 PRO 118 HB2 -0.24 -0.01 0.05 -0.04 2.28 2.04 2zicA1 PRO 118 HB3 -0.36 0.06 0.12 -0.04 2.02 1.79 2zicA1 PRO 118 HG2 -0.13 -0.05 0.00 -0.04 2.03 1.82 2zicA1 PRO 118 HG3 -0.18 0.08 0.04 -0.04 2.03 1.93 2zicA1 PRO 118 HD2 -0.14 0.11 0.08 -0.04 3.68 3.69 2zicA1 PRO 118 HD3 -0.21 0.33 -0.20 -0.04 3.65 3.53 2zicA1 ASP 119 H -0.04 0.00 -0.66 -0.55 8.40 7.16 2zicA1 ASP 119 HA -0.07 0.19 0.76 -0.75 4.63 4.76 2zicA1 ASP 119 HB2 -0.03 -0.03 -0.02 -0.04 2.71 2.59 2zicA1 ASP 119 HB3 -0.04 -0.03 0.03 -0.04 2.70 2.62 2zicA1 SER 120 H -0.04 0.58 -0.03 -0.55 8.46 8.42 2zicA1 SER 120 HA -0.08 0.04 0.39 -0.75 4.49 4.09 2zicA1 SER 120 HB2 -0.09 -0.17 0.10 -0.04 3.95 3.75 2zicA1 SER 120 HB3 -0.04 0.08 0.13 -0.04 3.93 4.06 2zicA1 SER 121 H -0.13 0.12 0.16 -0.55 8.46 8.06 2zicA1 SER 121 HA -0.13 0.20 0.49 -0.75 4.49 4.29 2zicA1 SER 121 HB2 -0.20 -0.05 0.11 -0.04 3.95 3.78 2zicA1 SER 121 HB3 -0.17 0.00 0.01 -0.04 3.93 3.74 2zicA1 GLU 122 H -0.34 0.09 -0.11 -0.55 8.60 7.70 2zicA1 GLU 122 HA -1.96 0.06 0.29 -0.75 4.29 1.93 2zicA1 GLU 122 HB2 0.00 0.17 0.03 -0.04 2.09 2.25 2zicA1 GLU 122 HB3 -0.59 -0.04 0.07 -0.04 1.99 1.40 2zicA1 GLU 122 HG2 -0.08 0.05 -0.15 -0.04 2.34 2.12 2zicA1 GLU 122 HG3 0.07 0.04 0.00 -0.04 2.34 2.41 2zicA1 ARG 123 H -0.14 0.26 -0.91 -0.55 8.46 7.12 2zicA1 ARG 123 HA 0.16 0.00 0.36 -0.75 4.34 4.10 2zicA1 ARG 123 HB2 -0.12 0.01 -0.03 -0.04 1.90 1.72 2zicA1 ARG 123 HB3 -0.08 0.15 -0.03 -0.04 1.80 1.80 2zicA1 ARG 123 HG2 -0.24 0.24 0.05 -0.04 1.67 1.68 2zicA1 ARG 123 HG3 -0.18 -0.10 -0.18 -0.04 1.67 1.17 2zicA1 ARG 123 HD2 -0.46 -0.14 0.01 -0.04 3.22 2.60 2zicA1 ARG 123 HD3 -0.43 0.08 0.12 -0.04 3.22 2.95 2zicA1 ASP 124 H -0.05 0.44 -0.18 -0.55 8.40 8.07 2zicA1 ASP 124 HA 0.22 0.18 0.56 -0.75 4.63 4.84 2zicA1 ASP 124 HB2 0.03 0.03 0.11 -0.04 2.71 2.83 2zicA1 ASP 124 HB3 0.02 0.03 0.09 -0.04 2.70 2.79 2zicA1 TYR 125 H 0.12 0.41 -0.76 -0.55 8.29 7.50 2zicA1 TYR 125 HA -0.30 0.03 0.61 -0.75 4.56 4.15 2zicA1 TYR 125 HB2 -0.17 0.32 0.06 -0.04 3.06 3.23 2zicA1 TYR 125 HB3 -0.63 -0.09 0.05 -0.04 2.98 2.26 2zicA1 TYR 125 HD2 -0.53 0.00 -0.12 -0.04 7.15 6.46 2zicA1 TYR 125 HE2 -0.78 -0.03 -0.12 -0.04 6.85 5.88 2zicA1 TYR 126 H 0.41 0.34 -0.29 -0.55 8.29 8.21 2zicA1 TYR 126 HA 0.11 0.27 0.92 -0.75 4.56 5.11 2zicA1 TYR 126 HB2 0.29 0.09 -0.01 -0.04 3.06 3.39 2zicA1 TYR 126 HB3 -0.14 -0.07 0.10 -0.04 2.98 2.83 2zicA1 TYR 126 HD2 0.24 0.20 -0.19 -0.04 7.15 7.37 2zicA1 TYR 126 HE2 0.30 -0.02 -0.36 -0.04 6.85 6.73 2zicA1 ILE 127 H 0.03 0.22 0.14 -0.55 8.25 8.10 2zicA1 ILE 127 HA 0.23 0.19 0.97 -0.75 4.18 4.82 2zicA1 ILE 127 HB 0.02 -0.10 0.16 -0.04 1.89 1.93 2zicA1 ILE 127 HG12 0.15 0.04 -0.17 -0.04 1.49 1.47 2zicA1 ILE 127 HG13 0.11 0.00 -0.44 -0.04 1.21 0.84 2zicA1 ILE 127 HG23 0.31 0.00 -0.12 -0.04 0.93 1.08 2zicA1 ILE 127 HD13 0.11 -0.01 -0.09 -0.04 0.88 0.85 2zicA1 TRP 128 H 0.48 0.21 0.17 -0.55 7.97 8.28 2zicA1 TRP 128 HA 0.40 0.44 1.12 -0.75 4.62 5.83 2zicA1 TRP 128 HB2 0.14 -0.02 -0.02 -0.04 3.23 3.29 2zicA1 TRP 128 HB3 0.15 0.00 0.02 -0.04 3.23 3.37 2zicA1 TRP 128 HD1 0.18 0.08 -0.15 -0.04 7.22 7.28 2zicA1 TRP 128 HE1 0.21 0.21 0.01 -0.04 10.20 10.59 2zicA1 TRP 128 HE3 0.18 0.02 -0.45 -0.04 7.59 7.30 2zicA1 TRP 128 HZ2 -0.34 -0.04 -0.15 -0.04 7.44 6.86 2zicA1 TRP 128 HZ3 0.17 -0.02 -0.11 -0.04 7.13 7.13 2zicA1 TRP 128 HH2 -0.33 -0.05 -0.10 -0.04 7.19 6.66 2zicA1 CYS 129 H 0.38 0.48 0.31 -0.55 8.50 9.12 2zicA1 CYS 129 HA 0.07 0.10 0.52 -0.75 4.58 4.52 2zicA1 CYS 129 HB2 -0.28 -0.04 0.04 -0.04 2.97 2.65 2zicA1 CYS 129 HB3 -0.33 0.08 -0.35 -0.04 2.97 2.33 2zicA1 ASP 130 H -0.02 0.09 0.16 -0.55 8.40 8.07 2zicA1 ASP 130 HA 0.18 0.20 0.88 -0.75 4.63 5.14 2zicA1 ASP 130 HB2 0.02 -0.04 0.13 -0.04 2.71 2.77 2zicA1 ASP 130 HB3 0.06 0.05 0.06 -0.04 2.70 2.82 2zicA1 GLN 131 H -0.12 0.02 0.08 -0.55 8.47 7.91 2zicA1 GLN 131 HA -0.15 0.27 0.90 -0.75 4.36 4.63 2zicA1 GLN 131 HB2 -0.10 -0.06 0.15 -0.04 2.15 2.09 2zicA1 GLN 131 HB3 -0.11 0.08 -0.01 -0.04 2.02 1.94 2zicA1 GLN 131 HG2 -0.03 0.11 -0.09 -0.04 2.40 2.35 2zicA1 GLN 131 HG3 -0.03 -0.08 -0.10 -0.04 2.39 2.14 2zicA1 GLN 131 HE21 -0.02 -0.01 -0.01 -0.04 6.97 6.89 2zicA1 GLN 131 HE22 -0.02 0.03 -0.01 -0.04 7.69 7.65 2zicA1 PRO 132 HA -1.24 -0.02 0.49 -0.51 4.44 3.16 2zicA1 PRO 132 HB2 -0.57 0.12 -0.03 -0.04 2.28 1.75 2zicA1 PRO 132 HB3 -1.25 -0.04 -0.07 -0.04 2.02 0.62 2zicA1 PRO 132 HG2 -0.41 0.05 0.07 -0.04 2.03 1.70 2zicA1 PRO 132 HG3 -1.07 0.03 -0.01 -0.04 2.03 0.94 2zicA1 PRO 132 HD2 -0.33 0.10 0.21 -0.04 3.68 3.62 2zicA1 PRO 132 HD3 -0.79 0.23 -0.10 -0.04 3.65 2.94 2zicA1 ASN 133 H -0.34 0.03 0.10 -0.55 8.53 7.77 2zicA1 ASN 133 HA -0.02 0.21 0.64 -0.75 4.76 4.83 2zicA1 ASN 133 HB2 0.15 -0.10 0.18 -0.04 2.88 3.07 2zicA1 ASN 133 HB3 0.04 0.10 0.08 -0.04 2.79 2.97 2zicA1 ASN 133 HD21 0.04 0.12 -0.04 -0.04 7.03 7.11 2zicA1 ASN 133 HD22 -0.04 0.08 0.04 -0.04 7.74 7.77 2zicA1 ASP 134 H 0.20 0.15 0.08 -0.55 8.40 8.29 2zicA1 ASP 134 HA 0.08 0.25 0.70 -0.75 4.63 4.91 2zicA1 ASP 134 HB2 0.08 0.02 0.15 -0.04 2.71 2.91 2zicA1 ASP 134 HB3 0.08 0.02 0.04 -0.04 2.70 2.80 2zicA1 LEU 135 H 0.11 0.02 -0.46 -0.55 8.37 7.49 2zicA1 LEU 135 HA 0.03 0.07 0.40 -0.75 4.35 4.09 2zicA1 LEU 135 HB2 -0.14 -0.06 -0.03 -0.04 1.64 1.37 2zicA1 LEU 135 HB3 -0.18 0.06 -0.09 -0.04 1.64 1.38 2zicA1 LEU 135 HG -0.25 -0.03 -0.01 -0.04 1.64 1.31 2zicA1 LEU 135 HD13 -0.08 0.01 -0.03 -0.04 0.93 0.79 2zicA1 LEU 135 HD23 0.04 0.00 -0.04 -0.04 0.89 0.86 2zicA1 GLU 136 H -0.01 0.13 0.17 -0.55 8.60 8.35 2zicA1 GLU 136 HA -0.09 0.13 1.04 -0.75 4.29 4.61 2zicA1 GLU 136 HB2 -0.03 -0.06 -0.01 -0.04 2.09 1.95 2zicA1 GLU 136 HB3 -0.03 0.12 0.01 -0.04 1.99 2.05 2zicA1 GLU 136 HG2 0.01 0.02 -0.21 -0.04 2.34 2.12 2zicA1 GLU 136 HG3 0.02 0.06 -0.04 -0.04 2.34 2.34 2zicA1 SER 137 H -0.12 0.71 -0.12 -0.55 8.46 8.39 2zicA1 SER 137 HA -0.28 0.06 0.56 -0.75 4.49 4.08 2zicA1 SER 137 HB2 -0.30 0.19 -0.21 -0.04 3.95 3.59 2zicA1 SER 137 HB3 -0.03 0.23 -0.36 -0.04 3.93 3.73 2zicA1 ILE 138 H -0.48 0.83 0.34 -0.55 8.25 8.39 2zicA1 ILE 138 HA -0.21 0.07 0.40 -0.75 4.18 3.69 2zicA1 ILE 138 HB -0.97 0.04 0.14 -0.04 1.89 1.06 2zicA1 ILE 138 HG12 -0.37 -0.00 0.04 -0.04 1.49 1.12 2zicA1 ILE 138 HG13 -0.50 0.09 0.14 -0.04 1.21 0.90 2zicA1 ILE 138 HG23 -0.29 -0.03 -0.02 -0.04 0.93 0.55 2zicA1 ILE 138 HD13 -0.69 -0.03 -0.00 -0.04 0.88 0.12 2zicA1 PHE 139 H -0.09 0.17 -0.52 -0.55 8.34 7.35 2zicA1 PHE 139 HA 0.07 0.14 0.75 -0.75 4.62 4.82 2zicA1 PHE 139 HB2 0.08 0.09 -0.22 -0.04 3.15 3.05 2zicA1 PHE 139 HB3 0.08 -0.01 0.03 -0.04 3.06 3.12 2zicA1 PHE 139 HD2 0.11 0.09 -0.20 -0.04 7.28 7.24 2zicA1 PHE 139 HE2 0.11 -0.01 -0.06 -0.04 7.38 7.37 2zicA1 PHE 139 HZ 0.07 0.02 -0.05 -0.04 7.32 7.32 2zicA1 GLY 140 H 0.07 0.50 -0.53 -0.55 8.43 7.93 2zicA1 GLY 140 HA2 0.08 -0.01 0.30 -0.51 4.01 3.86 2zicA1 GLY 140 HA3 0.11 0.12 0.59 -0.51 4.01 4.32 2zicA1 GLY 141 H 0.05 0.07 0.10 -0.55 8.43 8.10 2zicA1 GLY 141 HA2 0.04 0.01 0.33 -0.51 4.01 3.89 2zicA1 GLY 141 HA3 0.06 0.13 0.50 -0.51 4.01 4.20 2zicA1 SER 142 H 0.05 0.10 0.16 -0.55 8.46 8.22 2zicA1 SER 142 HA -0.03 0.18 0.57 -0.75 4.49 4.46 2zicA1 SER 142 HB2 0.06 -0.00 0.13 -0.04 3.95 4.10 2zicA1 SER 142 HB3 0.09 0.08 0.15 -0.04 3.93 4.20 2zicA1 ALA 143 H -0.24 0.61 0.13 -0.55 8.40 8.36 2zicA1 ALA 143 HA -0.89 0.33 0.44 -0.75 4.34 3.46 2zicA1 ALA 143 HB3 -0.84 -0.05 -0.39 -0.04 1.41 0.09 2zicA1 TRP 144 H -0.05 0.06 -0.38 -0.55 7.97 7.05 2zicA1 TRP 144 HA -0.16 0.31 0.84 -0.75 4.62 4.85 2zicA1 TRP 144 HB2 -0.17 0.01 0.01 -0.04 3.23 3.03 2zicA1 TRP 144 HB3 -0.04 0.00 -0.19 -0.04 3.23 2.96 2zicA1 TRP 144 HD1 -0.20 0.18 -0.07 -0.04 7.22 7.10 2zicA1 TRP 144 HE1 -0.20 -0.09 -0.09 -0.04 10.20 9.79 2zicA1 TRP 144 HE3 -0.01 0.04 -0.64 -0.04 7.59 6.94 2zicA1 TRP 144 HZ2 -0.11 -0.03 -0.17 -0.04 7.44 7.09 2zicA1 TRP 144 HZ3 0.00 0.16 -0.39 -0.04 7.13 6.86 2zicA1 TRP 144 HH2 -0.02 -0.01 -0.22 -0.04 7.19 6.90 2zicA1 GLN 145 H -0.09 0.67 0.22 -0.55 8.47 8.73 2zicA1 GLN 145 HA 0.13 0.14 0.90 -0.75 4.36 4.77 2zicA1 GLN 145 HB2 -0.22 0.02 -0.05 -0.04 2.15 1.86 2zicA1 GLN 145 HB3 -1.27 0.03 0.10 -0.04 2.02 0.84 2zicA1 GLN 145 HG2 -0.07 -0.03 -0.06 -0.04 2.40 2.20 2zicA1 GLN 145 HG3 -0.09 0.07 -0.38 -0.04 2.39 1.95 2zicA1 GLN 145 HE21 0.07 -0.04 0.03 -0.04 6.97 7.00 2zicA1 GLN 145 HE22 0.09 0.07 0.01 -0.04 7.69 7.82 2zicA1 TYR 146 H 0.21 0.15 0.11 -0.55 8.29 8.21 2zicA1 TYR 146 HA -0.37 0.13 0.48 -0.75 4.56 4.05 2zicA1 TYR 146 HB2 -0.43 0.03 0.00 -0.04 3.06 2.62 2zicA1 TYR 146 HB3 -0.10 -0.04 0.08 -0.04 2.98 2.88 2zicA1 TYR 146 HD2 -0.79 -0.04 -0.26 -0.04 7.15 6.02 2zicA1 TYR 146 HE2 -0.12 0.05 -0.19 -0.04 6.85 6.55 2zicA1 ASP 147 H -0.47 0.73 0.30 -0.55 8.40 8.40 2zicA1 ASP 147 HA 0.02 0.12 0.86 -0.75 4.63 4.88 2zicA1 ASP 147 HB2 0.46 0.09 0.08 -0.04 2.71 3.30 2zicA1 ASP 147 HB3 0.15 0.06 0.27 -0.04 2.70 3.15 2zicA1 ASP 148 H -0.02 0.23 0.12 -0.55 8.40 8.18 2zicA1 ASP 148 HA -0.06 0.15 0.49 -0.75 4.63 4.45 2zicA1 ASP 148 HB2 0.10 0.05 0.10 -0.04 2.71 2.92 2zicA1 ASP 148 HB3 0.23 0.02 0.05 -0.04 2.70 2.96 2zicA1 LYS 149 H -0.06 -0.02 -0.25 -0.55 8.42 7.54 2zicA1 LYS 149 HA -0.05 0.15 0.57 -0.75 4.32 4.25 2zicA1 LYS 149 HB2 -0.03 -0.07 0.06 -0.04 1.87 1.79 2zicA1 LYS 149 HB3 -0.07 -0.01 0.06 -0.04 1.79 1.73 2zicA1 LYS 149 HG2 -0.10 0.13 -0.10 -0.04 1.46 1.35 2zicA1 LYS 149 HG3 -0.06 -0.03 0.05 -0.04 1.46 1.38 2zicA1 LYS 149 HD2 -0.05 -0.08 -0.03 -0.04 1.69 1.49 2zicA1 LYS 149 HD3 -0.09 0.03 -0.15 -0.04 1.68 1.43 2zicA1 LYS 149 HE2 -0.13 0.14 0.02 -0.04 2.99 2.97 2zicA1 LYS 149 HE3 -0.08 -0.04 0.00 -0.04 2.99 2.83 2zicA1 SER 150 H -0.13 -0.04 -0.05 -0.55 8.46 7.69 2zicA1 SER 150 HA -0.16 0.24 0.78 -0.75 4.49 4.59 2zicA1 SER 150 HB2 -0.38 0.03 0.09 -0.04 3.95 3.65 2zicA1 SER 150 HB3 -0.31 0.12 0.07 -0.04 3.93 3.77 2zicA1 ASP 151 H -0.23 0.17 -0.14 -0.55 8.40 7.65 2zicA1 ASP 151 HA -0.32 0.05 0.32 -0.75 4.63 3.92 2zicA1 ASP 151 HB2 -0.03 0.22 0.02 -0.04 2.71 2.88 2zicA1 ASP 151 HB3 0.07 -0.07 0.20 -0.04 2.70 2.87 2zicA1 GLN 152 H -0.21 0.14 0.06 -0.55 8.47 7.91 2zicA1 GLN 152 HA 0.10 0.22 0.81 -0.75 4.36 4.74 2zicA1 GLN 152 HB2 0.13 -0.06 -0.11 -0.04 2.15 2.06 2zicA1 GLN 152 HB3 0.40 -0.01 0.07 -0.04 2.02 2.44 2zicA1 GLN 152 HG2 0.08 0.05 -0.05 -0.04 2.40 2.45 2zicA1 GLN 152 HG3 -0.04 0.12 -0.35 -0.04 2.39 2.07 2zicA1 GLN 152 HE21 0.07 -0.02 -0.14 -0.04 6.97 6.84 2zicA1 GLN 152 HE22 0.08 -0.03 -0.19 -0.04 7.69 7.51 2zicA1 TYR 153 H 0.46 0.58 0.28 -0.55 8.29 9.06 2zicA1 TYR 153 HA 0.19 0.29 0.82 -0.75 4.56 5.11 2zicA1 TYR 153 HB2 0.05 -0.05 -0.08 -0.04 3.06 2.93 2zicA1 TYR 153 HB3 0.32 -0.05 -0.25 -0.04 2.98 2.95 2zicA1 TYR 153 HD2 0.14 0.06 -0.33 -0.04 7.15 6.98 2zicA1 TYR 153 HE2 0.10 0.10 -0.03 -0.04 6.85 6.97 2zicA1 TYR 154 H -0.07 0.52 0.35 -0.55 8.29 8.54 2zicA1 TYR 154 HA -0.23 0.37 1.06 -0.75 4.56 5.01 2zicA1 TYR 154 HB2 -0.79 -0.00 0.10 -0.04 3.06 2.32 2zicA1 TYR 154 HB3 -1.61 -0.02 -0.04 -0.04 2.98 1.27 2zicA1 TYR 154 HD2 0.02 0.09 -0.17 -0.04 7.15 7.05 2zicA1 TYR 154 HE2 -0.02 -0.01 -0.09 -0.04 6.85 6.70 2zicA1 LEU 155 H -0.05 0.46 0.33 -0.55 8.37 8.55 2zicA1 LEU 155 HA -0.81 0.27 0.70 -0.75 4.35 3.75 2zicA1 LEU 155 HB2 -1.01 0.01 0.03 -0.04 1.64 0.64 2zicA1 LEU 155 HB3 -0.31 -0.05 0.16 -0.04 1.64 1.41 2zicA1 LEU 155 HG -0.84 -0.08 -0.18 -0.04 1.64 0.50 2zicA1 LEU 155 HD13 -1.90 0.06 -0.13 -0.04 0.93 -1.08 2zicA1 LEU 155 HD23 -0.44 -0.01 -0.06 -0.04 0.89 0.35 2zicA1 HIS 156 H -0.83 0.72 0.19 -0.55 8.41 7.94 2zicA1 HIS 156 HA -0.15 -0.02 0.54 -0.75 4.63 4.25 2zicA1 HIS 156 HB2 -0.03 0.12 -0.23 -0.04 3.26 3.08 2zicA1 HIS 156 HB3 0.05 0.04 -0.29 -0.04 3.20 2.95 2zicA1 HIS 156 HD2 -0.35 0.01 -0.23 -0.04 6.97 6.37 2zicA1 HIS 156 HE1 -0.04 0.02 -0.14 -0.04 7.75 7.55 2zicA1 PHE 157 H -0.13 0.16 0.08 -0.55 8.34 7.90 2zicA1 PHE 157 HA -0.52 0.16 0.58 -0.75 4.62 4.08 2zicA1 PHE 157 HB2 -0.38 -0.00 0.07 -0.04 3.15 2.80 2zicA1 PHE 157 HB3 -0.80 -0.04 0.09 -0.04 3.06 2.28 2zicA1 PHE 157 HD2 -0.26 0.09 0.03 -0.04 7.28 7.10 2zicA1 PHE 157 HE2 -0.18 0.03 -0.04 -0.04 7.38 7.14 2zicA1 PHE 157 HZ -0.17 0.01 -0.11 -0.04 7.32 7.01 2zicA1 PHE 158 H -0.05 0.09 -0.37 -0.55 8.34 7.46 2zicA1 PHE 158 HA -0.55 0.09 0.75 -0.75 4.62 4.15 2zicA1 PHE 158 HB2 -0.34 0.12 0.03 -0.04 3.15 2.92 2zicA1 PHE 158 HB3 -0.26 -0.13 0.09 -0.04 3.06 2.72 2zicA1 PHE 158 HD2 -0.92 0.02 -0.10 -0.04 7.28 6.24 2zicA1 PHE 158 HE2 -0.26 0.02 -0.07 -0.04 7.38 7.03 2zicA1 PHE 158 HZ -0.25 -0.02 -0.05 -0.04 7.32 6.96 2zicA1 SER 159 H 0.40 0.04 -0.02 -0.55 8.46 8.34 2zicA1 SER 159 HA 0.29 0.23 0.34 -0.75 4.49 4.59 2zicA1 SER 159 HB2 0.15 0.07 0.05 -0.04 3.95 4.17 2zicA1 SER 159 HB3 0.36 0.02 -0.01 -0.04 3.93 4.26 2zicA1 LYS 160 H -0.07 0.19 0.09 -0.55 8.42 8.07 2zicA1 LYS 160 HA -0.99 0.21 0.30 -0.75 4.32 3.08 2zicA1 LYS 160 HB2 -0.07 -0.06 0.02 -0.04 1.87 1.71 2zicA1 LYS 160 HB3 -0.12 0.04 0.02 -0.04 1.79 1.68 2zicA1 LYS 160 HG2 -0.33 0.11 -0.02 -0.04 1.46 1.17 2zicA1 LYS 160 HG3 -0.10 -0.02 0.04 -0.04 1.46 1.35 2zicA1 LYS 160 HD2 -0.00 -0.04 -0.01 -0.04 1.69 1.60 2zicA1 LYS 160 HD3 -0.02 0.00 -0.01 -0.04 1.68 1.62 2zicA1 LYS 160 HE2 0.06 0.06 -0.01 -0.04 2.99 3.06 2zicA1 LYS 160 HE3 0.04 0.01 -0.01 -0.04 2.99 2.99 2zicA1 LYS 161 H -0.01 -0.01 -0.42 -0.55 8.42 7.42 2zicA1 LYS 161 HA -0.09 0.23 0.66 -0.75 4.32 4.37 2zicA1 LYS 161 HB2 0.02 -0.05 0.00 -0.04 1.87 1.81 2zicA1 LYS 161 HB3 -0.01 -0.13 0.18 -0.04 1.79 1.79 2zicA1 LYS 161 HG2 -0.00 0.09 -0.06 -0.04 1.46 1.45 2zicA1 LYS 161 HG3 0.00 -0.01 -0.10 -0.04 1.46 1.31 2zicA1 LYS 161 HD2 0.02 0.09 -0.03 -0.04 1.69 1.73 2zicA1 LYS 161 HD3 0.02 -0.02 -0.01 -0.04 1.68 1.63 2zicA1 LYS 161 HE2 0.01 0.06 -0.01 -0.04 2.99 3.01 2zicA1 LYS 161 HE3 0.01 -0.15 0.03 -0.04 2.99 2.83 2zicA1 GLN 162 H -0.02 0.48 -0.88 -0.55 8.47 7.51 2zicA1 GLN 162 HA 0.05 0.35 0.74 -0.75 4.36 4.74 2zicA1 GLN 162 HB2 0.09 -0.01 -0.04 -0.04 2.15 2.15 2zicA1 GLN 162 HB3 -0.07 -0.01 0.02 -0.04 2.02 1.92 2zicA1 GLN 162 HG2 0.20 0.09 -0.15 -0.04 2.40 2.50 2zicA1 GLN 162 HG3 0.12 -0.09 -0.49 -0.04 2.39 1.88 2zicA1 GLN 162 HE21 0.18 -0.03 -0.18 -0.04 6.97 6.91 2zicA1 GLN 162 HE22 0.29 0.44 -0.38 -0.04 7.69 8.00 2zicA1 PRO 163 HA 0.10 0.23 0.57 -0.51 4.44 4.83 2zicA1 PRO 163 HB2 -0.35 0.05 -0.04 -0.04 2.28 1.90 2zicA1 PRO 163 HB3 -1.05 0.04 0.04 -0.04 2.02 1.01 2zicA1 PRO 163 HG2 -0.31 -0.03 -0.14 -0.04 2.03 1.51 2zicA1 PRO 163 HG3 -1.98 -0.03 -0.10 -0.04 2.03 -0.12 2zicA1 PRO 163 HD2 -0.25 0.16 -0.41 -0.04 3.68 3.15 2zicA1 PRO 163 HD3 -0.52 0.12 -0.18 -0.04 3.65 3.03 2zicA1 ASP 164 H 0.11 0.57 0.32 -0.55 8.40 8.85 2zicA1 ASP 164 HA 0.30 0.06 0.66 -0.75 4.63 4.90 2zicA1 ASP 164 HB2 -0.00 -0.04 0.04 -0.04 2.71 2.66 2zicA1 ASP 164 HB3 0.15 0.14 -0.02 -0.04 2.70 2.93 2zicA1 LEU 165 H 0.25 0.62 0.28 -0.55 8.37 8.98 2zicA1 LEU 165 HA -0.19 0.25 0.72 -0.75 4.35 4.38 2zicA1 LEU 165 HB2 0.24 0.07 -0.12 -0.04 1.64 1.79 2zicA1 LEU 165 HB3 -0.23 -0.01 -0.09 -0.04 1.64 1.27 2zicA1 LEU 165 HG 0.15 -0.12 -0.25 -0.04 1.64 1.39 2zicA1 LEU 165 HD13 0.17 0.01 -0.19 -0.04 0.93 0.89 2zicA1 LEU 165 HD23 -0.26 -0.00 -0.08 -0.04 0.89 0.50 2zicA1 ASN 166 H -0.17 0.87 0.16 -0.55 8.53 8.84 2zicA1 ASN 166 HA 0.11 0.07 0.61 -0.75 4.76 4.79 2zicA1 ASN 166 HB2 0.08 0.07 -0.44 -0.04 2.88 2.54 2zicA1 ASN 166 HB3 -0.03 0.11 0.06 -0.04 2.79 2.89 2zicA1 ASN 166 HD21 0.09 -0.10 0.01 -0.04 7.03 6.99 2zicA1 ASN 166 HD22 0.09 0.50 0.14 -0.04 7.74 8.44 2zicA1 TRP 167 H 0.33 0.33 0.14 -0.55 7.97 8.22 2zicA1 TRP 167 HA -0.23 0.09 0.43 -0.75 4.62 4.15 2zicA1 TRP 167 HB2 0.00 0.13 0.19 -0.04 3.23 3.51 2zicA1 TRP 167 HB3 -0.35 0.01 0.13 -0.04 3.23 2.98 2zicA1 TRP 167 HD1 -0.03 0.20 -0.03 -0.04 7.22 7.32 2zicA1 TRP 167 HE1 -0.06 0.50 0.14 -0.04 10.20 10.74 2zicA1 TRP 167 HE3 -0.60 0.02 0.02 -0.04 7.59 6.99 2zicA1 TRP 167 HZ2 -0.12 -0.03 -0.04 -0.04 7.44 7.21 2zicA1 TRP 167 HZ3 -0.02 0.03 -0.03 -0.04 7.13 7.07 2zicA1 TRP 167 HH2 -0.05 -0.01 -0.05 -0.04 7.19 7.03 2zicA1 GLU 168 H 0.09 0.07 -0.40 -0.55 8.60 7.82 2zicA1 GLU 168 HA 0.19 0.14 0.54 -0.75 4.29 4.40 2zicA1 GLU 168 HB2 0.10 0.01 -0.00 -0.04 2.09 2.16 2zicA1 GLU 168 HB3 0.12 -0.01 0.07 -0.04 1.99 2.13 2zicA1 GLU 168 HG2 0.23 0.04 -0.02 -0.04 2.34 2.54 2zicA1 GLU 168 HG3 0.19 -0.01 -0.00 -0.04 2.34 2.48 2zicA1 ASN 169 H -0.10 0.35 -0.26 -0.55 8.53 7.97 2zicA1 ASN 169 HA -0.05 0.07 0.58 -0.75 4.76 4.61 2zicA1 ASN 169 HB2 -0.04 0.19 0.17 -0.04 2.88 3.16 2zicA1 ASN 169 HB3 -0.23 0.09 0.30 -0.04 2.79 2.91 2zicA1 ASN 169 HD21 0.08 -0.04 -0.09 -0.04 7.03 6.94 2zicA1 ASN 169 HD22 0.07 0.42 -0.12 -0.04 7.74 8.07 2zicA1 ALA 170 H -0.06 0.31 0.21 -0.55 8.40 8.31 2zicA1 ALA 170 HA -0.16 0.12 0.31 -0.75 4.34 3.85 2zicA1 ALA 170 HB3 -0.02 0.03 0.09 -0.04 1.41 1.47 2zicA1 ASN 171 H -0.12 0.09 -0.28 -0.55 8.53 7.67 2zicA1 ASN 171 HA -0.15 0.11 0.46 -0.75 4.76 4.42 2zicA1 ASN 171 HB2 -0.06 -0.00 0.02 -0.04 2.88 2.79 2zicA1 ASN 171 HB3 -0.08 0.01 -0.05 -0.04 2.79 2.63 2zicA1 ASN 171 HD21 -0.02 0.04 -0.00 -0.04 7.03 7.00 2zicA1 ASN 171 HD22 -0.02 0.00 -0.01 -0.04 7.74 7.68 2zicA1 LEU 172 H -0.38 0.23 -0.20 -0.55 8.37 7.47 2zicA1 LEU 172 HA -1.12 -0.01 0.42 -0.75 4.35 2.89 2zicA1 LEU 172 HB2 -0.71 -0.04 0.13 -0.04 1.64 0.98 2zicA1 LEU 172 HB3 -0.66 0.28 0.18 -0.04 1.64 1.40 2zicA1 LEU 172 HG -0.69 0.07 0.06 -0.04 1.64 1.05 2zicA1 LEU 172 HD13 -1.07 0.01 -0.37 -0.04 0.93 -0.55 2zicA1 LEU 172 HD23 -1.34 -0.05 0.03 -0.04 0.89 -0.51 2zicA1 ARG 173 H -0.64 0.48 -0.17 -0.55 8.46 7.58 2zicA1 ARG 173 HA -1.30 0.01 0.33 -0.75 4.34 2.62 2zicA1 ARG 173 HB2 -0.41 0.14 0.08 -0.04 1.90 1.67 2zicA1 ARG 173 HB3 -0.61 -0.02 0.00 -0.04 1.80 1.13 2zicA1 ARG 173 HG2 -1.26 -0.08 -0.01 -0.04 1.67 0.28 2zicA1 ARG 173 HG3 -0.53 0.13 -0.16 -0.04 1.67 1.07 2zicA1 ARG 173 HD2 -0.01 -0.08 0.00 -0.04 3.22 3.09 2zicA1 ARG 173 HD3 -0.61 0.34 0.04 -0.04 3.22 2.95 2zicA1 GLN 174 H -0.40 0.44 -0.27 -0.55 8.47 7.69 2zicA1 GLN 174 HA -0.11 0.06 0.41 -0.75 4.36 3.96 2zicA1 GLN 174 HB2 -0.08 0.07 0.12 -0.04 2.15 2.22 2zicA1 GLN 174 HB3 -0.16 0.10 0.15 -0.04 2.02 2.06 2zicA1 GLN 174 HG2 -0.02 -0.01 -0.01 -0.04 2.40 2.32 2zicA1 GLN 174 HG3 -0.02 -0.05 -0.18 -0.04 2.39 2.09 2zicA1 GLN 174 HE21 0.13 0.10 0.01 -0.04 6.97 7.17 2zicA1 GLN 174 HE22 0.08 -0.08 0.01 -0.04 7.69 7.66 2zicA1 LYS 175 H -0.40 0.51 -0.18 -0.55 8.42 7.80 2zicA1 LYS 175 HA -0.08 -0.01 0.42 -0.75 4.32 3.90 2zicA1 LYS 175 HB2 -0.63 0.25 0.22 -0.04 1.87 1.66 2zicA1 LYS 175 HB3 -0.13 -0.11 0.00 -0.04 1.79 1.51 2zicA1 LYS 175 HG2 -0.30 0.17 0.07 -0.04 1.46 1.36 2zicA1 LYS 175 HG3 -0.58 -0.08 0.00 -0.04 1.46 0.76 2zicA1 LYS 175 HD2 0.11 -0.05 0.03 -0.04 1.69 1.73 2zicA1 LYS 175 HD3 -0.02 0.01 0.02 -0.04 1.68 1.65 2zicA1 LYS 175 HE2 0.07 0.00 -0.01 -0.04 2.99 3.01 2zicA1 LYS 175 HE3 -0.02 0.02 -0.03 -0.04 2.99 2.93 2zicA1 ILE 176 H -0.49 0.52 -0.24 -0.55 8.25 7.48 2zicA1 ILE 176 HA -0.11 -0.05 0.41 -0.75 4.18 3.68 2zicA1 ILE 176 HB -0.66 0.25 0.17 -0.04 1.89 1.61 2zicA1 ILE 176 HG12 -0.56 0.20 0.00 -0.04 1.49 1.09 2zicA1 ILE 176 HG13 -0.54 0.02 -0.03 -0.04 1.21 0.61 2zicA1 ILE 176 HG23 0.04 -0.03 -0.13 -0.04 0.93 0.77 2zicA1 ILE 176 HD13 -0.05 -0.04 -0.03 -0.04 0.88 0.72 2zicA1 TYR 177 H -0.45 0.55 -0.10 -0.55 8.29 7.73 2zicA1 TYR 177 HA 0.03 -0.03 0.39 -0.75 4.56 4.20 2zicA1 TYR 177 HB2 -0.01 0.10 0.15 -0.04 3.06 3.26 2zicA1 TYR 177 HB3 0.03 0.08 -0.01 -0.04 2.98 3.04 2zicA1 TYR 177 HD2 0.02 -0.07 -0.08 -0.04 7.15 6.98 2zicA1 TYR 177 HE2 0.13 -0.05 -0.11 -0.04 6.85 6.78 2zicA1 ASP 178 H 0.06 0.59 -0.15 -0.55 8.40 8.36 2zicA1 ASP 178 HA 0.12 0.07 0.40 -0.75 4.63 4.47 2zicA1 ASP 178 HB2 0.07 0.09 0.15 -0.04 2.71 2.98 2zicA1 ASP 178 HB3 0.08 -0.06 0.01 -0.04 2.70 2.69 2zicA1 MET 179 H 0.09 0.50 -0.20 -0.55 8.47 8.31 2zicA1 MET 179 HA 0.14 -0.00 0.45 -0.75 4.52 4.35 2zicA1 MET 179 HB2 0.11 -0.03 0.11 -0.04 2.15 2.30 2zicA1 MET 179 HB3 0.02 0.18 0.19 -0.04 2.03 2.38 2zicA1 MET 179 HG2 0.24 -0.03 -0.03 -0.04 2.63 2.77 2zicA1 MET 179 HG3 0.09 -0.14 -0.01 -0.04 2.56 2.45 2zicA1 MET 179 HE3 -0.74 -0.01 -0.03 -0.04 2.10 1.27 2zicA1 MET 180 H 0.15 0.58 -0.14 -0.55 8.47 8.51 2zicA1 MET 180 HA 0.34 -0.03 0.45 -0.75 4.52 4.53 2zicA1 MET 180 HB2 0.19 0.17 0.17 -0.04 2.15 2.64 2zicA1 MET 180 HB3 0.16 -0.06 -0.02 -0.04 2.03 2.07 2zicA1 MET 180 HG2 -0.46 -0.10 -0.02 -0.04 2.63 2.01 2zicA1 MET 180 HG3 -0.04 0.15 0.00 -0.04 2.56 2.63 2zicA1 MET 180 HE3 -0.07 -0.01 -0.08 -0.04 2.10 1.89 2zicA1 ASN 181 H 0.21 0.69 -0.11 -0.55 8.53 8.77 2zicA1 ASN 181 HA 0.17 0.00 0.44 -0.75 4.76 4.62 2zicA1 ASN 181 HB2 0.14 0.10 0.16 -0.04 2.88 3.25 2zicA1 ASN 181 HB3 0.11 -0.05 0.06 -0.04 2.79 2.86 2zicA1 ASN 181 HD21 0.10 0.53 0.20 -0.04 7.03 7.82 2zicA1 ASN 181 HD22 0.13 -0.11 -0.04 -0.04 7.74 7.68 2zicA1 PHE 182 H 0.29 0.30 -0.51 -0.55 8.34 7.86 2zicA1 PHE 182 HA -0.05 0.04 0.45 -0.75 4.62 4.30 2zicA1 PHE 182 HB2 -0.06 -0.00 0.12 -0.04 3.15 3.17 2zicA1 PHE 182 HB3 -0.08 0.29 0.22 -0.04 3.06 3.45 2zicA1 PHE 182 HD2 -0.80 0.04 -0.04 -0.04 7.28 6.43 2zicA1 PHE 182 HE2 -0.87 -0.03 -0.01 -0.04 7.38 6.43 2zicA1 PHE 182 HZ -0.36 -0.03 0.02 -0.04 7.32 6.91 2zicA1 TRP 183 H 0.43 0.39 -0.13 -0.55 7.97 8.11 2zicA1 TRP 183 HA -0.10 0.04 0.51 -0.75 4.62 4.32 2zicA1 TRP 183 HB2 0.41 0.13 0.16 -0.04 3.23 3.90 2zicA1 TRP 183 HB3 0.16 -0.06 0.02 -0.04 3.23 3.31 2zicA1 TRP 183 HD1 0.35 0.11 0.02 -0.04 7.22 7.66 2zicA1 TRP 183 HE1 0.38 0.39 0.13 -0.04 10.20 11.06 2zicA1 TRP 183 HE3 0.04 0.01 0.03 -0.04 7.59 7.63 2zicA1 TRP 183 HZ2 0.42 -0.02 -0.07 -0.04 7.44 7.73 2zicA1 TRP 183 HZ3 0.04 -0.01 -0.05 -0.04 7.13 7.07 2zicA1 TRP 183 HH2 0.13 -0.10 -0.11 -0.04 7.19 7.07 2zicA1 ILE 184 H 0.27 0.53 -0.08 -0.55 8.25 8.42 2zicA1 ILE 184 HA -0.02 0.00 0.41 -0.75 4.18 3.82 2zicA1 ILE 184 HB 0.04 0.04 0.12 -0.04 1.89 2.05 2zicA1 ILE 184 HG12 0.03 -0.04 -0.08 -0.04 1.49 1.36 2zicA1 ILE 184 HG13 0.38 0.16 -0.02 -0.04 1.21 1.69 2zicA1 ILE 184 HG23 -0.44 0.02 -0.19 -0.04 0.93 0.28 2zicA1 ILE 184 HD13 0.19 -0.01 -0.27 -0.04 0.88 0.76 2zicA1 ASP 185 H -0.04 0.50 -0.28 -0.55 8.40 8.04 2zicA1 ASP 185 HA -0.03 0.06 0.40 -0.75 4.63 4.31 2zicA1 ASP 185 HB2 -0.15 0.11 0.08 -0.04 2.71 2.71 2zicA1 ASP 185 HB3 -0.07 -0.07 0.10 -0.04 2.70 2.61 2zicA1 LYS 186 H -0.12 0.27 -0.63 -0.55 8.42 7.39 2zicA1 LYS 186 HA -0.13 0.07 0.62 -0.75 4.32 4.12 2zicA1 LYS 186 HB2 -0.00 0.13 0.13 -0.04 1.87 2.08 2zicA1 LYS 186 HB3 -0.06 -0.10 0.11 -0.04 1.79 1.71 2zicA1 LYS 186 HG2 -0.42 -0.05 0.02 -0.04 1.46 0.97 2zicA1 LYS 186 HG3 -0.71 0.31 0.08 -0.04 1.46 1.09 2zicA1 LYS 186 HD2 -1.42 -0.04 -0.03 -0.04 1.69 0.16 2zicA1 LYS 186 HD3 -0.92 -0.03 0.00 -0.04 1.68 0.70 2zicA1 LYS 186 HE2 -0.20 -0.10 -0.02 -0.04 2.99 2.62 2zicA1 LYS 186 HE3 -0.03 0.03 -0.00 -0.04 2.99 2.94 2zicA1 GLY 187 H -0.03 0.43 -0.28 -0.55 8.43 8.01 2zicA1 GLY 187 HA2 -0.03 0.07 0.29 -0.51 4.01 3.83 2zicA1 GLY 187 HA3 -0.03 0.10 0.72 -0.51 4.01 4.29 2zicA1 ILE 188 H -0.01 0.16 0.10 -0.55 8.25 7.95 2zicA1 ILE 188 HA -0.05 0.02 0.54 -0.75 4.18 3.94 2zicA1 ILE 188 HB -0.18 0.03 0.28 -0.04 1.89 1.98 2zicA1 ILE 188 HG12 -0.06 0.12 -0.02 -0.04 1.49 1.48 2zicA1 ILE 188 HG13 -0.26 -0.02 -0.22 -0.04 1.21 0.67 2zicA1 ILE 188 HG23 0.10 -0.00 0.02 -0.04 0.93 1.01 2zicA1 ILE 188 HD13 -0.55 0.01 -0.12 -0.04 0.88 0.18 2zicA1 GLY 189 H -0.09 0.70 0.36 -0.55 8.43 8.86 2zicA1 GLY 189 HA2 -0.07 0.25 0.78 -0.51 4.01 4.46 2zicA1 GLY 189 HA3 -0.06 -0.05 0.28 -0.51 4.01 3.67 2zicA1 GLY 190 H -0.23 0.19 0.12 -0.55 8.43 7.96 2zicA1 GLY 190 HA2 -0.24 0.01 0.22 -0.51 4.01 3.50 2zicA1 GLY 190 HA3 -0.12 0.34 0.67 -0.51 4.01 4.39 2zicA1 PHE 191 H -0.17 0.50 0.33 -0.55 8.34 8.44 2zicA1 PHE 191 HA -0.12 0.30 0.96 -0.75 4.62 5.01 2zicA1 PHE 191 HB2 -0.29 -0.02 0.01 -0.04 3.15 2.81 2zicA1 PHE 191 HB3 -0.16 -0.06 -0.12 -0.04 3.06 2.68 2zicA1 PHE 191 HD2 -0.10 0.02 -0.11 -0.04 7.28 7.05 2zicA1 PHE 191 HE2 0.09 -0.01 -0.08 -0.04 7.38 7.34 2zicA1 PHE 191 HZ 0.23 0.14 0.04 -0.04 7.32 7.69 2zicA1 ARG 192 H -0.02 0.68 0.30 -0.55 8.46 8.87 2zicA1 ARG 192 HA -0.44 0.26 0.79 -0.75 4.34 4.20 2zicA1 ARG 192 HB2 -0.68 0.07 -0.09 -0.04 1.90 1.15 2zicA1 ARG 192 HB3 -0.40 -0.13 0.12 -0.04 1.80 1.35 2zicA1 ARG 192 HG2 -1.06 0.07 -0.09 -0.04 1.67 0.55 2zicA1 ARG 192 HG3 -3.60 -0.02 -0.14 -0.04 1.67 -2.13 2zicA1 ARG 192 HD2 -0.43 0.06 -0.26 -0.04 3.22 2.55 2zicA1 ARG 192 HD3 -0.72 -0.03 -0.19 -0.04 3.22 2.24 2zicA1 MET 193 H -0.29 0.72 0.26 -0.55 8.47 8.61 2zicA1 MET 193 HA -0.10 0.25 1.04 -0.75 4.52 4.96 2zicA1 MET 193 HB2 -0.21 -0.13 0.15 -0.04 2.15 1.92 2zicA1 MET 193 HB3 -0.15 0.04 0.01 -0.04 2.03 1.89 2zicA1 MET 193 HG2 -0.16 -0.00 -0.22 -0.04 2.63 2.21 2zicA1 MET 193 HG3 -0.22 0.08 -0.23 -0.04 2.56 2.14 2zicA1 MET 193 HE3 -0.33 0.02 -0.11 -0.04 2.10 1.64 2zicA1 ASP 194 H 0.01 0.71 0.35 -0.55 8.40 8.92 2zicA1 ASP 194 HA 0.07 -0.05 0.44 -0.75 4.63 4.33 2zicA1 ASP 194 HB2 0.20 0.08 0.08 -0.04 2.71 3.03 2zicA1 ASP 194 HB3 0.04 -0.09 0.26 -0.04 2.70 2.87 2zicA1 VAL 195 H 0.08 0.10 0.26 -0.55 8.24 8.12 2zicA1 VAL 195 HA 0.10 0.18 0.48 -0.75 4.13 4.14 2zicA1 VAL 195 HB 0.09 -0.04 0.20 -0.04 2.12 2.33 2zicA1 VAL 195 HG13 0.12 -0.00 0.05 -0.04 0.97 1.10 2zicA1 VAL 195 HG23 0.11 0.00 -0.21 -0.04 0.95 0.80 2zicA1 ILE 196 H -0.07 0.28 -0.27 -0.55 8.25 7.65 2zicA1 ILE 196 HA -0.17 0.11 0.33 -0.75 4.18 3.70 2zicA1 ILE 196 HB -0.16 0.06 -0.04 -0.04 1.89 1.71 2zicA1 ILE 196 HG12 -0.16 0.05 -0.07 -0.04 1.49 1.28 2zicA1 ILE 196 HG13 -0.18 -0.02 -0.02 -0.04 1.21 0.94 2zicA1 ILE 196 HG23 -0.24 0.00 -0.19 -0.04 0.93 0.47 2zicA1 ILE 196 HD13 -0.22 0.00 -0.03 -0.04 0.88 0.58 2zicA1 ASP 197 H -0.04 0.14 -0.29 -0.55 8.40 7.67 2zicA1 ASP 197 HA -0.02 0.19 0.47 -0.75 4.63 4.52 2zicA1 ASP 197 HB2 0.11 -0.04 0.15 -0.04 2.71 2.89 2zicA1 ASP 197 HB3 0.10 0.07 0.01 -0.04 2.70 2.84 2zicA1 MET 198 H -0.08 0.44 -0.55 -0.55 8.47 7.73 2zicA1 MET 198 HA -0.09 0.24 0.82 -0.75 4.52 4.74 2zicA1 MET 198 HB2 -0.02 0.20 0.09 -0.04 2.15 2.38 2zicA1 MET 198 HB3 -0.09 0.01 0.06 -0.04 2.03 1.96 2zicA1 MET 198 HG2 -0.19 -0.02 -0.16 -0.04 2.63 2.21 2zicA1 MET 198 HG3 -0.04 -0.14 -0.14 -0.04 2.56 2.20 2zicA1 MET 198 HE3 -0.59 0.00 -0.03 -0.04 2.10 1.45 2zicA1 ILE 199 H -0.22 0.35 -0.03 -0.55 8.25 7.79 2zicA1 ILE 199 HA -0.28 0.12 0.41 -0.75 4.18 3.68 2zicA1 ILE 199 HB -1.56 0.02 0.13 -0.04 1.89 0.44 2zicA1 ILE 199 HG12 -0.32 0.23 0.12 -0.04 1.49 1.48 2zicA1 ILE 199 HG13 -0.14 -0.03 -0.25 -0.04 1.21 0.74 2zicA1 ILE 199 HG23 -0.92 0.01 0.04 -0.04 0.93 0.01 2zicA1 ILE 199 HD13 -0.63 -0.00 -0.04 -0.04 0.88 0.17 2zicA1 GLY 200 H -0.05 0.05 -0.71 -0.55 8.43 7.17 2zicA1 GLY 200 HA2 0.14 0.20 0.55 -0.51 4.01 4.38 2zicA1 GLY 200 HA3 -0.02 -0.17 0.17 -0.51 4.01 3.48 2zicA1 LYS 201 H 0.06 0.34 -0.34 -0.55 8.42 7.93 2zicA1 LYS 201 HA 0.05 0.11 0.31 -0.75 4.32 4.04 2zicA1 LYS 201 HB2 0.18 -0.07 0.10 -0.04 1.87 2.04 2zicA1 LYS 201 HB3 0.04 0.11 0.25 -0.04 1.79 2.15 2zicA1 LYS 201 HG2 0.16 -0.04 0.05 -0.04 1.46 1.59 2zicA1 LYS 201 HG3 0.19 -0.10 -0.05 -0.04 1.46 1.46 2zicA1 LYS 201 HD2 0.33 -0.11 0.02 -0.04 1.69 1.89 2zicA1 LYS 201 HD3 0.15 0.08 0.06 -0.04 1.68 1.92 2zicA1 LYS 201 HE2 0.25 -0.05 0.10 -0.04 2.99 3.25 2zicA1 LYS 201 HE3 0.24 -0.03 0.07 -0.04 2.99 3.23 2zicA1 ILE 202 H 0.10 0.65 0.13 -0.55 8.25 8.58 2zicA1 ILE 202 HA 0.13 0.17 0.75 -0.75 4.18 4.47 2zicA1 ILE 202 HB 0.09 -0.04 0.20 -0.04 1.89 2.10 2zicA1 ILE 202 HG12 0.11 0.06 -0.03 -0.04 1.49 1.58 2zicA1 ILE 202 HG13 0.08 0.17 -0.36 -0.04 1.21 1.07 2zicA1 ILE 202 HG23 0.10 -0.06 0.03 -0.04 0.93 0.96 2zicA1 ILE 202 HD13 0.06 -0.02 0.01 -0.04 0.88 0.89 2zicA1 PRO 203 HA 0.12 0.05 0.35 -0.51 4.44 4.45 2zicA1 PRO 203 HB2 0.29 0.03 0.01 -0.04 2.28 2.57 2zicA1 PRO 203 HB3 0.11 0.02 -0.01 -0.04 2.02 2.10 2zicA1 PRO 203 HG2 0.09 0.07 -0.02 -0.04 2.03 2.13 2zicA1 PRO 203 HG3 0.10 0.04 -0.01 -0.04 2.03 2.12 2zicA1 PRO 203 HD2 0.16 0.11 0.06 -0.04 3.68 3.98 2zicA1 PRO 203 HD3 0.16 0.24 -0.43 -0.04 3.65 3.58 2zicA1 ALA 204 H 0.16 0.15 -0.22 -0.55 8.40 7.94 2zicA1 ALA 204 HA 0.11 0.08 0.41 -0.75 4.34 4.18 2zicA1 ALA 204 HB3 0.10 0.02 0.05 -0.04 1.41 1.54 2zicA1 GLN 205 H 0.13 0.39 -0.24 -0.55 8.47 8.19 2zicA1 GLN 205 HA 0.17 0.19 0.78 -0.75 4.36 4.75 2zicA1 GLN 205 HB2 0.10 0.03 0.11 -0.04 2.15 2.35 2zicA1 GLN 205 HB3 0.09 0.02 0.15 -0.04 2.02 2.24 2zicA1 GLN 205 HG2 0.08 0.05 -0.03 -0.04 2.40 2.46 2zicA1 GLN 205 HG3 0.09 -0.10 -0.13 -0.04 2.39 2.21 2zicA1 GLN 205 HE21 0.06 0.01 0.00 -0.04 6.97 7.00 2zicA1 GLN 205 HE22 0.07 -0.03 -0.02 -0.04 7.69 7.67 2zicA1 HIS 206 H 0.11 0.41 -0.38 -0.55 8.41 8.00 2zicA1 HIS 206 HA 0.11 0.01 0.24 -0.75 4.63 4.24 2zicA1 HIS 206 HB2 0.05 0.25 -0.12 -0.04 3.26 3.40 2zicA1 HIS 206 HB3 0.05 -0.06 0.20 -0.04 3.20 3.35 2zicA1 HIS 206 HD2 0.06 -0.00 -0.05 -0.04 6.97 6.93 2zicA1 HIS 206 HE1 0.05 0.01 0.01 -0.04 7.75 7.77 2zicA1 ILE 207 H 0.12 0.32 -0.34 -0.55 8.25 7.79 2zicA1 ILE 207 HA 0.06 0.17 0.70 -0.75 4.18 4.35 2zicA1 ILE 207 HB 0.08 -0.11 0.12 -0.04 1.89 1.94 2zicA1 ILE 207 HG12 0.06 0.06 -0.09 -0.04 1.49 1.48 2zicA1 ILE 207 HG13 0.09 0.12 -0.24 -0.04 1.21 1.13 2zicA1 ILE 207 HG23 0.03 0.02 -0.23 -0.04 0.93 0.71 2zicA1 ILE 207 HD13 0.05 -0.01 0.01 -0.04 0.88 0.89 2zicA1 VAL 208 H -0.02 0.21 0.03 -0.55 8.24 7.91 2zicA1 VAL 208 HA -0.12 0.14 0.85 -0.75 4.13 4.24 2zicA1 VAL 208 HB -0.19 -0.10 0.18 -0.04 2.12 1.97 2zicA1 VAL 208 HG13 -0.81 -0.00 -0.07 -0.04 0.97 0.05 2zicA1 VAL 208 HG23 -0.10 0.04 -0.17 -0.04 0.95 0.67 2zicA1 SER 209 H -0.10 0.10 0.11 -0.55 8.46 8.02 2zicA1 SER 209 HA -0.06 0.30 0.73 -0.75 4.49 4.70 2zicA1 SER 209 HB2 -0.02 0.03 0.06 -0.04 3.95 3.98 2zicA1 SER 209 HB3 0.03 -0.02 -0.01 -0.04 3.93 3.88 2zicA1 ASN 210 H 0.00 0.40 0.25 -0.55 8.53 8.64 2zicA1 ASN 210 HA -0.01 -0.03 0.33 -0.75 4.76 4.31 2zicA1 ASN 210 HB2 0.03 0.21 -0.12 -0.04 2.88 2.96 2zicA1 ASN 210 HB3 0.03 0.02 0.18 -0.04 2.79 2.98 2zicA1 ASN 210 HD21 0.12 0.39 -0.02 -0.04 7.03 7.48 2zicA1 ASN 210 HD22 0.07 0.02 -0.09 -0.04 7.74 7.69 2zicA1 GLY 211 H -0.03 -0.02 -0.26 -0.55 8.43 7.58 2zicA1 GLY 211 HA2 0.01 0.14 0.28 -0.51 4.01 3.92 2zicA1 GLY 211 HA3 -0.00 0.37 0.15 -0.51 4.01 4.01 2zicA1 PRO 212 HA -0.01 0.12 0.42 -0.51 4.44 4.46 2zicA1 PRO 212 HB2 -0.01 0.03 0.01 -0.04 2.28 2.27 2zicA1 PRO 212 HB3 0.01 0.05 0.12 -0.04 2.02 2.16 2zicA1 PRO 212 HG2 0.00 0.00 0.06 -0.04 2.03 2.05 2zicA1 PRO 212 HG3 0.02 0.05 0.07 -0.04 2.03 2.13 2zicA1 PRO 212 HD2 0.02 0.21 0.19 -0.04 3.68 4.06 2zicA1 PRO 212 HD3 0.02 0.15 0.17 -0.04 3.65 3.95 2zicA1 LYS 213 H -0.11 0.18 -0.26 -0.55 8.42 7.68 2zicA1 LYS 213 HA -0.21 0.23 0.91 -0.75 4.32 4.51 2zicA1 LYS 213 HB2 -0.38 0.06 -0.00 -0.04 1.87 1.51 2zicA1 LYS 213 HB3 -0.94 -0.01 0.11 -0.04 1.79 0.90 2zicA1 LYS 213 HG2 -0.11 0.05 -0.08 -0.04 1.46 1.28 2zicA1 LYS 213 HG3 -0.07 -0.03 -0.14 -0.04 1.46 1.18 2zicA1 LYS 213 HD2 0.07 0.02 -0.03 -0.04 1.69 1.71 2zicA1 LYS 213 HD3 -0.00 0.01 -0.01 -0.04 1.68 1.64 2zicA1 LYS 213 HE2 0.02 0.01 -0.03 -0.04 2.99 2.95 2zicA1 LYS 213 HE3 0.03 -0.01 -0.03 -0.04 2.99 2.94 2zicA1 LEU 214 H -0.15 0.46 -0.34 -0.55 8.37 7.79 2zicA1 LEU 214 HA -0.12 0.05 0.23 -0.75 4.35 3.75 2zicA1 LEU 214 HB2 -0.13 -0.12 0.04 -0.04 1.64 1.38 2zicA1 LEU 214 HB3 -0.27 0.17 0.05 -0.04 1.64 1.55 2zicA1 LEU 214 HG -0.52 0.07 -0.35 -0.04 1.64 0.79 2zicA1 LEU 214 HD13 -0.09 -0.04 -0.07 -0.04 0.93 0.68 2zicA1 LEU 214 HD23 -0.10 -0.01 0.01 -0.04 0.89 0.75 2zicA1 HIS 215 H -0.15 0.22 -0.14 -0.55 8.41 7.80 2zicA1 HIS 215 HA 0.05 0.07 0.42 -0.75 4.63 4.41 2zicA1 HIS 215 HB2 -0.05 0.03 0.01 -0.04 3.26 3.22 2zicA1 HIS 215 HB3 -0.02 0.14 -0.01 -0.04 3.20 3.27 2zicA1 HIS 215 HD2 -0.09 0.06 -0.03 -0.04 6.97 6.86 2zicA1 HIS 215 HE1 -1.33 0.01 -0.10 -0.04 7.75 6.29 2zicA1 ALA 216 H -0.04 0.11 -0.38 -0.55 8.40 7.54 2zicA1 ALA 216 HA 0.06 0.13 0.43 -0.75 4.34 4.21 2zicA1 ALA 216 HB3 -0.05 0.04 0.06 -0.04 1.41 1.42 2zicA1 TYR 217 H -0.05 0.48 -0.21 -0.55 8.29 7.95 2zicA1 TYR 217 HA 0.19 0.03 0.44 -0.75 4.56 4.47 2zicA1 TYR 217 HB2 0.01 0.14 0.12 -0.04 3.06 3.29 2zicA1 TYR 217 HB3 0.22 -0.07 -0.01 -0.04 2.98 3.08 2zicA1 TYR 217 HD2 0.10 -0.07 -0.16 -0.04 7.15 6.98 2zicA1 TYR 217 HE2 0.15 0.01 -0.05 -0.04 6.85 6.91 2zicA1 LEU 218 H 0.14 0.43 -0.12 -0.55 8.37 8.27 2zicA1 LEU 218 HA 0.15 -0.04 0.40 -0.75 4.35 4.11 2zicA1 LEU 218 HB2 0.16 0.12 0.12 -0.04 1.64 2.00 2zicA1 LEU 218 HB3 0.18 0.01 -0.01 -0.04 1.64 1.78 2zicA1 LEU 218 HG 0.03 0.18 -0.01 -0.04 1.64 1.80 2zicA1 LEU 218 HD13 0.20 -0.03 -0.13 -0.04 0.93 0.93 2zicA1 LEU 218 HD23 0.02 -0.02 -0.08 -0.04 0.89 0.77 2zicA1 LYS 219 H 0.12 0.49 -0.22 -0.55 8.42 8.27 2zicA1 LYS 219 HA 0.07 0.32 0.53 -0.75 4.32 4.49 2zicA1 LYS 219 HB2 0.07 -0.00 0.18 -0.04 1.87 2.08 2zicA1 LYS 219 HB3 0.04 -0.04 0.05 -0.04 1.79 1.80 2zicA1 LYS 219 HG2 0.10 0.29 0.06 -0.04 1.46 1.87 2zicA1 LYS 219 HG3 0.11 0.19 0.10 -0.04 1.46 1.82 2zicA1 LYS 219 HD2 0.06 -0.13 -0.02 -0.04 1.69 1.55 2zicA1 LYS 219 HD3 0.05 -0.02 0.00 -0.04 1.68 1.68 2zicA1 LYS 219 HE2 0.06 -0.12 -0.10 -0.04 2.99 2.79 2zicA1 LYS 219 HE3 0.03 -0.09 -0.04 -0.04 2.99 2.86 2zicA1 GLU 220 H 0.12 0.47 -0.21 -0.55 8.60 8.44 2zicA1 GLU 220 HA -0.02 0.02 0.42 -0.75 4.29 3.95 2zicA1 GLU 220 HB2 0.15 0.02 0.12 -0.04 2.09 2.34 2zicA1 GLU 220 HB3 0.24 0.11 0.21 -0.04 1.99 2.50 2zicA1 GLU 220 HG2 0.04 -0.02 -0.25 -0.04 2.34 2.07 2zicA1 GLU 220 HG3 0.07 -0.03 0.01 -0.04 2.34 2.35 2zicA1 MET 221 H 0.06 0.69 -0.08 -0.55 8.47 8.58 2zicA1 MET 221 HA -0.99 -0.04 0.34 -0.75 4.52 3.08 2zicA1 MET 221 HB2 0.33 0.00 0.07 -0.04 2.15 2.51 2zicA1 MET 221 HB3 0.13 0.16 0.16 -0.04 2.03 2.43 2zicA1 MET 221 HG2 0.24 -0.02 -0.28 -0.04 2.63 2.53 2zicA1 MET 221 HG3 0.30 -0.06 -0.05 -0.04 2.56 2.71 2zicA1 MET 221 HE3 0.31 -0.01 -0.08 -0.04 2.10 2.27 2zicA1 ASN 222 H -0.17 0.74 -0.11 -0.55 8.53 8.45 2zicA1 ASN 222 HA -1.53 -0.17 0.39 -0.75 4.76 2.69 2zicA1 ASN 222 HB2 -0.20 0.04 0.14 -0.04 2.88 2.82 2zicA1 ASN 222 HB3 -0.13 0.21 0.28 -0.04 2.79 3.11 2zicA1 ASN 222 HD21 0.10 -0.03 -0.12 -0.04 7.03 6.93 2zicA1 ASN 222 HD22 0.15 0.29 -0.15 -0.04 7.74 7.99 2zicA1 ALA 223 H -0.18 0.63 -0.12 -0.55 8.40 8.19 2zicA1 ALA 223 HA -0.11 0.00 0.39 -0.75 4.34 3.87 2zicA1 ALA 223 HB3 -0.08 0.01 0.10 -0.04 1.41 1.39 2zicA1 ALA 224 H -0.31 0.47 -0.28 -0.55 8.40 7.74 2zicA1 ALA 224 HA -0.09 0.09 0.65 -0.75 4.34 4.23 2zicA1 ALA 224 HB3 -0.38 -0.04 0.08 -0.04 1.41 1.03 2zicA1 SER 225 H -0.23 0.34 -0.33 -0.55 8.46 7.70 2zicA1 SER 225 HA 0.07 0.18 0.85 -0.75 4.49 4.83 2zicA1 SER 225 HB2 0.22 -0.06 -0.01 -0.04 3.95 4.05 2zicA1 SER 225 HB3 0.08 0.03 -0.16 -0.04 3.93 3.84 2zicA1 PHE 226 H 0.17 0.10 0.07 -0.55 8.34 8.13 2zicA1 PHE 226 HA 0.14 0.07 0.33 -0.75 4.62 4.41 2zicA1 PHE 226 HB2 0.14 0.01 -0.05 -0.04 3.15 3.21 2zicA1 PHE 226 HB3 0.26 -0.07 -0.00 -0.04 3.06 3.21 2zicA1 PHE 226 HD2 0.10 0.01 -0.20 -0.04 7.28 7.15 2zicA1 PHE 226 HE2 0.02 0.13 -0.07 -0.04 7.38 7.42 2zicA1 PHE 226 HZ 0.02 0.04 -0.10 -0.04 7.32 7.25 2zicA1 GLY 227 H -0.48 0.38 -0.09 -0.55 8.43 7.69 2zicA1 GLY 227 HA2 0.05 0.04 0.32 -0.51 4.01 3.91 2zicA1 GLY 227 HA3 -0.11 0.09 0.19 -0.51 4.01 3.68 2zicA1 GLN 228 H 0.07 0.21 -0.18 -0.55 8.47 8.03 2zicA1 GLN 228 HA 0.01 0.02 0.36 -0.75 4.36 4.00 2zicA1 GLN 228 HB2 -0.14 0.02 -0.06 -0.04 2.15 1.93 2zicA1 GLN 228 HB3 -0.10 -0.07 0.08 -0.04 2.02 1.89 2zicA1 GLN 228 HG2 -0.01 -0.03 0.02 -0.04 2.40 2.34 2zicA1 GLN 228 HG3 0.02 0.08 0.02 -0.04 2.39 2.48 2zicA1 GLN 228 HE21 -0.00 -0.07 0.01 -0.04 6.97 6.87 2zicA1 GLN 228 HE22 -0.01 -0.01 0.02 -0.04 7.69 7.64 2zicA1 HIS 229 H 0.34 0.34 -0.59 -0.55 8.41 7.95 2zicA1 HIS 229 HA 0.11 0.13 0.84 -0.75 4.63 4.96 2zicA1 HIS 229 HB2 0.17 0.04 -0.01 -0.04 3.26 3.42 2zicA1 HIS 229 HB3 0.12 -0.09 0.03 -0.04 3.20 3.22 2zicA1 HIS 229 HD2 0.06 0.01 -0.06 -0.04 6.97 6.93 2zicA1 HIS 229 HE1 0.07 0.02 -0.08 -0.04 7.75 7.71 2zicA1 ASP 230 H 0.26 0.12 0.04 -0.55 8.40 8.27 2zicA1 ASP 230 HA 0.29 0.24 0.80 -0.75 4.63 5.20 2zicA1 ASP 230 HB2 0.25 0.04 0.04 -0.04 2.71 3.00 2zicA1 ASP 230 HB3 0.28 -0.03 0.22 -0.04 2.70 3.13 2zicA1 LEU 231 H 0.27 0.36 -0.23 -0.55 8.37 8.23 2zicA1 LEU 231 HA 0.43 0.28 0.91 -0.75 4.35 5.21 2zicA1 LEU 231 HB2 0.11 -0.04 -0.17 -0.04 1.64 1.51 2zicA1 LEU 231 HB3 0.02 -0.03 -0.19 -0.04 1.64 1.40 2zicA1 LEU 231 HG 0.23 -0.05 -0.29 -0.04 1.64 1.49 2zicA1 LEU 231 HD13 -0.00 -0.04 -0.17 -0.04 0.93 0.67 2zicA1 LEU 231 HD23 0.08 0.02 -0.27 -0.04 0.89 0.68 2zicA1 LEU 232 H 0.14 0.66 0.37 -0.55 8.37 9.00 2zicA1 LEU 232 HA -0.88 0.17 0.82 -0.75 4.35 3.71 2zicA1 LEU 232 HB2 -0.45 0.04 0.00 -0.04 1.64 1.19 2zicA1 LEU 232 HB3 -0.14 -0.07 0.03 -0.04 1.64 1.42 2zicA1 LEU 232 HG -1.46 0.06 -0.09 -0.04 1.64 0.11 2zicA1 LEU 232 HD13 -0.29 -0.00 -0.16 -0.04 0.93 0.43 2zicA1 LEU 232 HD23 -0.44 -0.01 -0.44 -0.04 0.89 -0.05 2zicA1 THR 233 H -0.57 0.26 0.18 -0.55 8.28 7.60 2zicA1 THR 233 HA -0.35 0.27 1.10 -0.75 4.39 4.65 2zicA1 THR 233 HB -0.51 -0.04 -0.01 -0.04 4.32 3.73 2zicA1 THR 233 HG23 -1.06 0.00 -0.15 -0.04 1.22 -0.03 2zicA1 VAL 234 H -0.39 0.63 0.31 -0.55 8.24 8.24 2zicA1 VAL 234 HA -0.51 0.46 0.89 -0.75 4.13 4.22 2zicA1 VAL 234 HB -0.50 0.10 -0.25 -0.04 2.12 1.42 2zicA1 VAL 234 HG13 -0.55 -0.02 -0.06 -0.04 0.97 0.30 2zicA1 VAL 234 HG23 -1.50 -0.02 -0.40 -0.04 0.95 -1.02 2zicA1 GLY 235 H -0.49 0.49 0.34 -0.55 8.43 8.22 2zicA1 GLY 235 HA2 -0.33 0.06 0.95 -0.51 4.01 4.18 2zicA1 GLY 235 HA3 -0.37 0.05 0.31 -0.51 4.01 3.48 2zicA1 GLU 236 H -0.13 0.79 0.26 -0.55 8.60 8.96 2zicA1 GLU 236 HA 0.18 0.14 0.70 -0.75 4.29 4.56 2zicA1 GLU 236 HB2 0.16 0.08 0.01 -0.04 2.09 2.30 2zicA1 GLU 236 HB3 0.08 -0.16 0.34 -0.04 1.99 2.21 2zicA1 GLU 236 HG2 0.28 -0.08 -0.17 -0.04 2.34 2.33 2zicA1 GLU 236 HG3 0.24 0.11 -0.06 -0.04 2.34 2.59 2zicA1 THR 237 H 0.10 0.59 0.11 -0.55 8.28 8.54 2zicA1 THR 237 HA 0.10 0.00 0.95 -0.75 4.39 4.69 2zicA1 THR 237 HB 0.12 -0.05 -0.03 -0.04 4.32 4.32 2zicA1 THR 237 HG23 -0.38 -0.03 -0.31 -0.04 1.22 0.46 2zicA1 TRP 238 H 0.37 0.15 0.00 -0.55 7.97 7.94 2zicA1 TRP 238 HA 0.18 0.09 0.39 -0.75 4.62 4.53 2zicA1 TRP 238 HB2 -0.12 -0.04 0.05 -0.04 3.23 3.08 2zicA1 TRP 238 HB3 -0.11 0.10 0.01 -0.04 3.23 3.18 2zicA1 TRP 238 HD1 -0.26 -0.07 -0.07 -0.04 7.22 6.78 2zicA1 TRP 238 HE1 -0.49 -0.04 -0.07 -0.04 10.20 9.56 2zicA1 TRP 238 HE3 -0.15 0.03 -0.01 -0.04 7.59 7.43 2zicA1 TRP 238 HZ2 -0.39 -0.03 -0.09 -0.04 7.44 6.88 2zicA1 TRP 238 HZ3 -0.06 0.09 -0.07 -0.04 7.13 7.06 2zicA1 TRP 238 HH2 -0.15 0.08 -0.08 -0.04 7.19 7.01 2zicA1 GLY 239 H 0.22 -0.03 -0.31 -0.55 8.43 7.76 2zicA1 GLY 239 HA2 0.19 0.25 0.66 -0.51 4.01 4.60 2zicA1 GLY 239 HA3 0.14 -0.02 0.25 -0.51 4.01 3.86 2zicA1 ALA 240 H 0.25 0.31 -0.49 -0.55 8.40 7.92 2zicA1 ALA 240 HA 0.27 0.05 0.61 -0.75 4.34 4.53 2zicA1 ALA 240 HB3 0.32 0.01 -0.00 -0.04 1.41 1.69 2zicA1 THR 241 H 0.20 0.07 0.22 -0.55 8.28 8.22 2zicA1 THR 241 HA 0.26 0.25 0.79 -0.75 4.39 4.94 2zicA1 THR 241 HB -0.05 0.08 0.15 -0.04 4.32 4.46 2zicA1 THR 241 HG23 0.10 0.06 -0.10 -0.04 1.22 1.23 2zicA1 PRO 242 HA -1.02 0.12 0.38 -0.51 4.44 3.40 2zicA1 PRO 242 HB2 -0.48 0.02 0.04 -0.04 2.28 1.82 2zicA1 PRO 242 HB3 -0.75 0.15 -0.01 -0.04 2.02 1.38 2zicA1 PRO 242 HG2 -0.83 0.09 0.01 -0.04 2.03 1.26 2zicA1 PRO 242 HG3 -2.74 0.07 0.01 -0.04 2.03 -0.67 2zicA1 PRO 242 HD2 -0.37 0.10 0.20 -0.04 3.68 3.56 2zicA1 PRO 242 HD3 -0.47 0.14 0.20 -0.04 3.65 3.48 2zicA1 GLU 243 H -0.20 0.11 -0.16 -0.55 8.60 7.80 2zicA1 GLU 243 HA -0.11 0.19 0.40 -0.75 4.29 4.02 2zicA1 GLU 243 HB2 -0.08 -0.08 0.07 -0.04 2.09 1.95 2zicA1 GLU 243 HB3 -0.08 0.05 -0.06 -0.04 1.99 1.86 2zicA1 GLU 243 HG2 -0.12 -0.01 0.04 -0.04 2.34 2.21 2zicA1 GLU 243 HG3 -0.07 0.02 0.02 -0.04 2.34 2.27 2zicA1 ILE 244 H -0.03 0.03 -0.22 -0.55 8.25 7.48 2zicA1 ILE 244 HA -0.12 0.12 0.48 -0.75 4.18 3.90 2zicA1 ILE 244 HB 0.13 -0.18 0.18 -0.04 1.89 1.99 2zicA1 ILE 244 HG12 -0.01 0.07 0.02 -0.04 1.49 1.54 2zicA1 ILE 244 HG13 0.01 -0.08 0.06 -0.04 1.21 1.16 2zicA1 ILE 244 HG23 -0.06 0.01 -0.06 -0.04 0.93 0.78 2zicA1 ILE 244 HD13 0.08 0.01 0.07 -0.04 0.88 1.00 2zicA1 ALA 245 H 0.11 0.54 -0.19 -0.55 8.40 8.31 2zicA1 ALA 245 HA 0.46 -0.05 0.37 -0.75 4.34 4.36 2zicA1 ALA 245 HB3 0.40 0.04 0.01 -0.04 1.41 1.82 2zicA1 LYS 246 H -0.00 0.36 -0.31 -0.55 8.42 7.92 2zicA1 LYS 246 HA 0.05 0.12 0.49 -0.75 4.32 4.23 2zicA1 LYS 246 HB2 -0.05 0.09 0.17 -0.04 1.87 2.04 2zicA1 LYS 246 HB3 -0.02 0.05 0.08 -0.04 1.79 1.87 2zicA1 LYS 246 HG2 -0.02 0.05 -0.01 -0.04 1.46 1.44 2zicA1 LYS 246 HG3 -0.07 0.21 0.04 -0.04 1.46 1.60 2zicA1 LYS 246 HD2 -0.07 -0.11 0.05 -0.04 1.69 1.52 2zicA1 LYS 246 HD3 -0.04 0.02 0.05 -0.04 1.68 1.67 2zicA1 LYS 246 HE2 -0.07 0.56 0.07 -0.04 2.99 3.51 2zicA1 LYS 246 HE3 -0.12 -0.21 -0.17 -0.04 2.99 2.45 2zicA1 GLN 247 H -0.10 0.24 -0.25 -0.55 8.47 7.81 2zicA1 GLN 247 HA -0.12 0.07 0.43 -0.75 4.36 3.99 2zicA1 GLN 247 HB2 -0.29 -0.01 0.12 -0.04 2.15 1.93 2zicA1 GLN 247 HB3 -0.45 0.11 0.16 -0.04 2.02 1.80 2zicA1 GLN 247 HG2 -1.14 -0.09 -0.01 -0.04 2.40 1.11 2zicA1 GLN 247 HG3 -0.85 -0.01 -0.17 -0.04 2.39 1.31 2zicA1 GLN 247 HE21 -0.10 0.03 0.00 -0.04 6.97 6.86 2zicA1 GLN 247 HE22 -0.20 -0.04 -0.03 -0.04 7.69 7.39 2zicA1 TYR 248 H 0.01 0.26 -0.26 -0.55 8.29 7.75 2zicA1 TYR 248 HA 0.11 -0.01 0.39 -0.75 4.56 4.29 2zicA1 TYR 248 HB2 0.06 0.10 0.07 -0.04 3.06 3.26 2zicA1 TYR 248 HB3 0.03 -0.07 -0.18 -0.04 2.98 2.71 2zicA1 TYR 248 HD2 0.12 0.01 -0.14 -0.04 7.15 7.10 2zicA1 TYR 248 HE2 -0.01 -0.07 -0.16 -0.04 6.85 6.57 2zicA1 SER 249 H 0.18 0.63 -0.03 -0.55 8.46 8.69 2zicA1 SER 249 HA 0.10 0.42 0.64 -0.75 4.49 4.90 2zicA1 SER 249 HB2 0.22 0.11 0.11 -0.04 3.95 4.34 2zicA1 SER 249 HB3 0.12 -0.18 -0.12 -0.04 3.93 3.72 2zicA1 ASN 250 H 0.08 0.50 -0.08 -0.55 8.53 8.49 2zicA1 ASN 250 HA 0.09 0.09 0.26 -0.75 4.76 4.45 2zicA1 ASN 250 HB2 0.04 0.30 0.21 -0.04 2.88 3.39 2zicA1 ASN 250 HB3 0.02 -0.12 0.14 -0.04 2.79 2.79 2zicA1 ASN 250 HD21 0.02 -0.06 0.07 -0.04 7.03 7.02 2zicA1 ASN 250 HD22 0.02 0.05 0.13 -0.04 7.74 7.89 2zicA1 PRO 251 HA -0.03 0.08 0.35 -0.51 4.44 4.33 2zicA1 PRO 251 HB2 0.00 -0.02 0.06 -0.04 2.28 2.28 2zicA1 PRO 251 HB3 0.03 0.01 0.10 -0.04 2.02 2.12 2zicA1 PRO 251 HG2 0.07 -0.02 0.13 -0.04 2.03 2.17 2zicA1 PRO 251 HG3 0.13 0.11 0.13 -0.04 2.03 2.36 2zicA1 PRO 251 HD2 0.06 0.21 0.24 -0.04 3.68 4.15 2zicA1 PRO 251 HD3 0.12 0.23 0.25 -0.04 3.65 4.22 2zicA1 VAL 252 H -0.01 0.16 -0.35 -0.55 8.24 7.49 2zicA1 VAL 252 HA -0.04 0.07 0.39 -0.75 4.13 3.79 2zicA1 VAL 252 HB 0.02 0.01 0.07 -0.04 2.12 2.18 2zicA1 VAL 252 HG13 0.02 0.01 -0.15 -0.04 0.97 0.81 2zicA1 VAL 252 HG23 0.06 -0.01 0.04 -0.04 0.95 0.99 2zicA1 ASN 253 H -0.00 0.59 -0.37 -0.55 8.53 8.20 2zicA1 ASN 253 HA 0.10 0.09 0.66 -0.75 4.76 4.85 2zicA1 ASN 253 HB2 0.04 0.23 0.02 -0.04 2.88 3.13 2zicA1 ASN 253 HB3 0.04 -0.11 0.09 -0.04 2.79 2.77 2zicA1 ASN 253 HD21 -0.03 -0.11 0.01 -0.04 7.03 6.86 2zicA1 ASN 253 HD22 -0.01 0.30 0.15 -0.04 7.74 8.14 2zicA1 HIS 254 H -0.19 0.37 -0.36 -0.55 8.41 7.68 2zicA1 HIS 254 HA 0.07 0.06 0.25 -0.75 4.63 4.26 2zicA1 HIS 254 HB2 0.03 0.05 -0.12 -0.04 3.26 3.17 2zicA1 HIS 254 HB3 0.01 -0.06 0.14 -0.04 3.20 3.25 2zicA1 HIS 254 HD2 0.03 -0.01 -0.02 -0.04 6.97 6.92 2zicA1 HIS 254 HE1 0.03 -0.06 -0.00 -0.04 7.75 7.67 2zicA1 GLU 255 H 0.11 0.19 -0.29 -0.55 8.60 8.06 2zicA1 GLU 255 HA 0.19 0.13 0.77 -0.75 4.29 4.62 2zicA1 GLU 255 HB2 0.18 0.28 0.12 -0.04 2.09 2.62 2zicA1 GLU 255 HB3 0.25 -0.20 0.09 -0.04 1.99 2.09 2zicA1 GLU 255 HG2 0.19 -0.17 -0.14 -0.04 2.34 2.18 2zicA1 GLU 255 HG3 0.15 0.30 -0.38 -0.04 2.34 2.37 2zicA1 LEU 256 H 0.15 0.54 0.17 -0.55 8.37 8.68 2zicA1 LEU 256 HA 0.02 0.16 0.89 -0.75 4.35 4.66 2zicA1 LEU 256 HB2 -0.07 0.03 -0.16 -0.04 1.64 1.40 2zicA1 LEU 256 HB3 -0.21 -0.04 0.01 -0.04 1.64 1.36 2zicA1 LEU 256 HG 0.09 -0.01 -0.17 -0.04 1.64 1.50 2zicA1 LEU 256 HD13 -0.30 -0.05 -0.12 -0.04 0.93 0.42 2zicA1 LEU 256 HD23 -0.03 0.03 -0.24 -0.04 0.89 0.61 2zicA1 SER 257 H -0.32 0.21 0.29 -0.55 8.46 8.10 2zicA1 SER 257 HA -0.22 0.18 0.61 -0.75 4.49 4.30 2zicA1 SER 257 HB2 -0.83 0.11 0.17 -0.04 3.95 3.37 2zicA1 SER 257 HB3 -1.85 0.02 0.05 -0.04 3.93 2.11 2zicA1 MET 258 H -0.32 0.35 0.28 -0.55 8.47 8.24 2zicA1 MET 258 HA -0.02 0.19 0.46 -0.75 4.52 4.40 2zicA1 MET 258 HB2 -0.08 -0.02 -0.01 -0.04 2.15 2.00 2zicA1 MET 258 HB3 0.14 0.22 -0.31 -0.04 2.03 2.04 2zicA1 MET 258 HG2 -0.40 -0.03 -0.18 -0.04 2.63 1.98 2zicA1 MET 258 HG3 -0.41 -0.15 -0.35 -0.04 2.56 1.61 2zicA1 MET 258 HE3 -0.38 0.00 -0.20 -0.04 2.10 1.48 2zicA1 VAL 259 H -0.19 0.40 0.22 -0.55 8.24 8.12 2zicA1 VAL 259 HA -0.55 -0.07 0.81 -0.75 4.13 3.57 2zicA1 VAL 259 HB -0.31 -0.00 0.07 -0.04 2.12 1.84 2zicA1 VAL 259 HG13 -0.53 -0.04 -0.26 -0.04 0.97 0.10 2zicA1 VAL 259 HG23 0.01 0.00 -0.22 -0.04 0.95 0.70 2zicA1 PHE 260 H -0.43 0.72 0.33 -0.55 8.34 8.41 2zicA1 PHE 260 HA -0.46 0.18 0.73 -0.75 4.62 4.33 2zicA1 PHE 260 HB2 -0.39 -0.20 0.14 -0.04 3.15 2.66 2zicA1 PHE 260 HB3 -1.18 0.06 -0.11 -0.04 3.06 1.79 2zicA1 PHE 260 HD2 -0.59 -0.03 -0.18 -0.04 7.28 6.44 2zicA1 PHE 260 HE2 -1.56 0.03 -0.21 -0.04 7.38 5.60 2zicA1 PHE 260 HZ -1.05 0.03 -0.20 -0.04 7.32 6.06 2zicA1 GLN 261 H -0.33 0.28 0.16 -0.55 8.47 8.04 2zicA1 GLN 261 HA -0.11 0.23 0.83 -0.75 4.36 4.55 2zicA1 GLN 261 HB2 -0.60 0.01 0.03 -0.04 2.15 1.55 2zicA1 GLN 261 HB3 -0.68 0.04 -0.08 -0.04 2.02 1.26 2zicA1 GLN 261 HG2 -2.56 0.10 0.01 -0.04 2.40 -0.10 2zicA1 GLN 261 HG3 -0.85 0.02 0.16 -0.04 2.39 1.68 2zicA1 GLN 261 HE21 -0.76 -0.08 -0.02 -0.04 6.97 6.07 2zicA1 GLN 261 HE22 -1.10 0.17 0.03 -0.04 7.69 6.75 2zicA1 PHE 262 H 0.13 0.29 0.09 -0.55 8.34 8.29 2zicA1 PHE 262 HA -0.23 0.22 0.94 -0.75 4.62 4.79 2zicA1 PHE 262 HB2 -0.40 0.09 0.09 -0.04 3.15 2.89 2zicA1 PHE 262 HB3 -0.57 0.01 0.11 -0.04 3.06 2.56 2zicA1 PHE 262 HD2 -0.70 0.08 -0.21 -0.04 7.28 6.40 2zicA1 PHE 262 HE2 -0.45 -0.05 -0.23 -0.04 7.38 6.61 2zicA1 PHE 262 HZ -0.47 -0.05 -0.16 -0.04 7.32 6.60 2zicA1 GLU 263 H 0.02 0.17 -0.14 -0.55 8.60 8.10 2zicA1 GLU 263 HA 0.16 0.16 0.50 -0.75 4.29 4.35 2zicA1 GLU 263 HB2 0.33 0.06 0.11 -0.04 2.09 2.54 2zicA1 GLU 263 HB3 0.24 0.00 0.08 -0.04 1.99 2.27 2zicA1 GLU 263 HG2 0.17 0.02 -0.17 -0.04 2.34 2.32 2zicA1 GLU 263 HG3 0.17 0.01 0.06 -0.04 2.34 2.54 2zicA1 HIS 264 H 0.36 0.13 -0.08 -0.55 8.41 8.28 2zicA1 HIS 264 HA -0.09 0.12 0.44 -0.75 4.63 4.35 2zicA1 HIS 264 HB2 -0.28 0.06 0.03 -0.04 3.26 3.03 2zicA1 HIS 264 HB3 -0.29 0.02 0.07 -0.04 3.20 2.95 2zicA1 HIS 264 HD2 0.21 0.03 -0.03 -0.04 6.97 7.14 2zicA1 HIS 264 HE1 -0.93 0.23 0.12 -0.04 7.75 7.12 2zicA1 ILE 265 H -0.50 0.00 -0.41 -0.55 8.25 6.79 2zicA1 ILE 265 HA 0.02 0.13 0.34 -0.75 4.18 3.91 2zicA1 ILE 265 HB -0.03 0.09 -0.00 -0.04 1.89 1.92 2zicA1 ILE 265 HG12 -1.07 -0.07 -0.01 -0.04 1.49 0.29 2zicA1 ILE 265 HG13 -0.12 -0.05 -0.08 -0.04 1.21 0.91 2zicA1 ILE 265 HG23 0.07 0.00 -0.06 -0.04 0.93 0.90 2zicA1 ILE 265 HD13 -0.34 0.02 -0.11 -0.04 0.88 0.41 2zicA1 GLY 266 H 0.05 0.23 -0.61 -0.55 8.43 7.55 2zicA1 GLY 266 HA2 -0.09 0.01 0.38 -0.51 4.01 3.80 2zicA1 GLY 266 HA3 0.01 0.05 0.30 -0.51 4.01 3.86 2zicA1 LEU 267 H 0.09 0.40 -0.49 -0.55 8.37 7.82 2zicA1 LEU 267 HA -0.01 0.08 0.44 -0.75 4.35 4.10 2zicA1 LEU 267 HB2 0.23 0.17 0.06 -0.04 1.64 2.06 2zicA1 LEU 267 HB3 0.07 -0.12 0.13 -0.04 1.64 1.68 2zicA1 LEU 267 HG 0.01 0.06 0.08 -0.04 1.64 1.75 2zicA1 LEU 267 HD13 -0.18 -0.02 -0.05 -0.04 0.93 0.63 2zicA1 LEU 267 HD23 -0.01 -0.01 -0.00 -0.04 0.89 0.82 2zicA1 GLN 268 H 0.03 0.42 -0.60 -0.55 8.47 7.78 2zicA1 GLN 268 HA 0.19 0.12 0.54 -0.75 4.36 4.45 2zicA1 GLN 268 HB2 -0.00 0.09 0.07 -0.04 2.15 2.27 2zicA1 GLN 268 HB3 -0.06 -0.04 0.14 -0.04 2.02 2.02 2zicA1 GLN 268 HG2 -0.28 -0.00 -0.07 -0.04 2.40 2.00 2zicA1 GLN 268 HG3 0.06 0.02 0.04 -0.04 2.39 2.46 2zicA1 GLN 268 HE21 -0.66 0.00 0.01 -0.04 6.97 6.27 2zicA1 GLN 268 HE22 -1.88 -0.02 -0.04 -0.04 7.69 5.72 2zicA1 HIS 269 H -0.26 0.47 -0.38 -0.55 8.41 7.70 2zicA1 HIS 269 HA 0.08 0.02 0.63 -0.75 4.63 4.60 2zicA1 HIS 269 HB2 0.02 0.15 -0.17 -0.04 3.26 3.22 2zicA1 HIS 269 HB3 0.00 0.04 -0.25 -0.04 3.20 2.94 2zicA1 HIS 269 HD2 -0.00 -0.06 -0.11 -0.04 6.97 6.75 2zicA1 HIS 269 HE1 0.05 -0.20 -0.01 -0.04 7.75 7.55 2zicA1 LYS 270 H 0.15 0.48 0.11 -0.55 8.42 8.61 2zicA1 LYS 270 HA 0.08 0.02 0.38 -0.75 4.32 4.05 2zicA1 LYS 270 HB2 0.09 -0.05 -0.02 -0.04 1.87 1.84 2zicA1 LYS 270 HB3 0.06 -0.01 0.04 -0.04 1.79 1.85 2zicA1 LYS 270 HG2 0.06 0.32 0.05 -0.04 1.46 1.84 2zicA1 LYS 270 HG3 0.03 -0.08 -0.00 -0.04 1.46 1.37 2zicA1 LYS 270 HD2 0.03 -0.05 -0.00 -0.04 1.69 1.63 2zicA1 LYS 270 HD3 0.04 -0.01 -0.08 -0.04 1.68 1.60 2zicA1 LYS 270 HE2 -0.01 -0.10 -0.02 -0.04 2.99 2.83 2zicA1 LYS 270 HE3 -0.03 0.21 -0.19 -0.04 2.99 2.94 2zicA1 PRO 271 HA 0.15 0.04 0.49 -0.51 4.44 4.61 2zicA1 PRO 271 HB2 0.06 -0.00 0.01 -0.04 2.28 2.30 2zicA1 PRO 271 HB3 0.06 0.03 0.12 -0.04 2.02 2.19 2zicA1 PRO 271 HG2 0.05 0.02 0.10 -0.04 2.03 2.15 2zicA1 PRO 271 HG3 0.04 0.01 0.08 -0.04 2.03 2.12 2zicA1 PRO 271 HD2 0.06 0.04 0.21 -0.04 3.68 3.95 2zicA1 PRO 271 HD3 0.05 0.16 0.20 -0.04 3.65 4.02 2zicA1 GLU 272 H 0.13 0.11 0.18 -0.55 8.60 8.47 2zicA1 GLU 272 HA 0.05 -0.03 0.31 -0.75 4.29 3.87 2zicA1 GLU 272 HB2 0.05 0.23 -0.08 -0.04 2.09 2.24 2zicA1 GLU 272 HB3 0.03 -0.04 0.21 -0.04 1.99 2.16 2zicA1 GLU 272 HG2 0.05 -0.02 0.03 -0.04 2.34 2.36 2zicA1 GLU 272 HG3 0.05 -0.05 -0.16 -0.04 2.34 2.15 2zicA1 ALA 273 H 0.06 0.36 -0.22 -0.55 8.40 8.05 2zicA1 ALA 273 HA 0.01 0.12 0.80 -0.75 4.34 4.52 2zicA1 ALA 273 HB3 0.05 0.04 -0.11 -0.04 1.41 1.35 2zicA1 PRO 274 HA -0.17 0.05 0.43 -0.51 4.44 4.24 2zicA1 PRO 274 HB2 0.15 -0.13 0.02 -0.04 2.28 2.29 2zicA1 PRO 274 HB3 0.08 0.07 0.10 -0.04 2.02 2.22 2zicA1 PRO 274 HG2 0.10 -0.06 0.05 -0.04 2.03 2.09 2zicA1 PRO 274 HG3 0.13 0.08 0.05 -0.04 2.03 2.25 2zicA1 PRO 274 HD2 0.04 0.14 0.20 -0.04 3.68 4.02 2zicA1 PRO 274 HD3 0.03 0.15 0.15 -0.04 3.65 3.94 2zicA1 LYS 275 H -0.40 0.11 0.13 -0.55 8.42 7.70 2zicA1 LYS 275 HA -0.31 0.18 0.25 -0.75 4.32 3.69 2zicA1 LYS 275 HB2 -0.46 0.08 -0.01 -0.04 1.87 1.45 2zicA1 LYS 275 HB3 -0.41 0.01 0.08 -0.04 1.79 1.43 2zicA1 LYS 275 HG2 -0.87 -0.10 0.06 -0.04 1.46 0.52 2zicA1 LYS 275 HG3 -2.02 0.02 -0.20 -0.04 1.46 -0.78 2zicA1 LYS 275 HD2 -0.49 0.00 -0.01 -0.04 1.69 1.15 2zicA1 LYS 275 HD3 -0.73 -0.05 -0.04 -0.04 1.68 0.82 2zicA1 LYS 275 HE2 -1.29 -0.03 -0.15 -0.04 2.99 1.49 2zicA1 LYS 275 HE3 -0.52 0.08 -0.05 -0.04 2.99 2.45 2zicA1 TRP 276 H -0.40 -0.04 -0.47 -0.55 7.97 6.52 2zicA1 TRP 276 HA -0.10 0.09 0.35 -0.75 4.62 4.21 2zicA1 TRP 276 HB2 -0.24 0.02 -0.06 -0.04 3.23 2.91 2zicA1 TRP 276 HB3 -0.40 -0.00 0.00 -0.04 3.23 2.79 2zicA1 TRP 276 HD1 -0.28 0.02 -0.03 -0.04 7.22 6.89 2zicA1 TRP 276 HE1 -0.16 0.04 -0.04 -0.04 10.20 10.01 2zicA1 TRP 276 HE3 -0.24 0.06 -0.16 -0.04 7.59 7.21 2zicA1 TRP 276 HZ2 -0.07 -0.00 -0.20 -0.04 7.44 7.13 2zicA1 TRP 276 HZ3 -0.09 -0.06 -0.18 -0.04 7.13 6.76 2zicA1 TRP 276 HH2 -0.07 -0.18 -0.10 -0.04 7.19 6.80 2zicA1 ASP 277 H 0.09 0.48 -0.42 -0.55 8.40 8.00 2zicA1 ASP 277 HA 0.08 0.06 0.60 -0.75 4.63 4.62 2zicA1 ASP 277 HB2 0.09 -0.09 0.05 -0.04 2.71 2.72 2zicA1 ASP 277 HB3 0.06 0.12 0.13 -0.04 2.70 2.98 2zicA1 TYR 278 H 0.27 0.29 -0.19 -0.55 8.29 8.11 2zicA1 TYR 278 HA 0.09 0.18 0.59 -0.75 4.56 4.67 2zicA1 TYR 278 HB2 0.04 0.16 0.09 -0.04 3.06 3.31 2zicA1 TYR 278 HB3 0.03 0.01 0.07 -0.04 2.98 3.06 2zicA1 TYR 278 HD2 0.09 0.21 -0.24 -0.04 7.15 7.17 2zicA1 TYR 278 HE2 0.08 -0.05 -0.10 -0.04 6.85 6.73 2zicA1 VAL 279 H 0.21 0.49 -0.12 -0.55 8.24 8.28 2zicA1 VAL 279 HA 0.04 0.01 0.64 -0.75 4.13 4.06 2zicA1 VAL 279 HB 0.17 0.16 0.00 -0.04 2.12 2.41 2zicA1 VAL 279 HG13 0.10 -0.06 -0.06 -0.04 0.97 0.90 2zicA1 VAL 279 HG23 0.07 -0.04 -0.30 -0.04 0.95 0.64 2zicA1 LYS 280 H 0.06 0.08 0.13 -0.55 8.42 8.13 2zicA1 LYS 280 HA 0.31 0.12 0.38 -0.75 4.32 4.38 2zicA1 LYS 280 HB2 0.08 -0.06 0.11 -0.04 1.87 1.96 2zicA1 LYS 280 HB3 0.13 -0.01 0.02 -0.04 1.79 1.88 2zicA1 LYS 280 HG2 0.05 -0.05 0.03 -0.04 1.46 1.45 2zicA1 LYS 280 HG3 0.15 0.04 0.00 -0.04 1.46 1.60 2zicA1 LYS 280 HD2 -0.11 0.04 0.10 -0.04 1.69 1.67 2zicA1 LYS 280 HD3 -0.02 -0.05 0.09 -0.04 1.68 1.66 2zicA1 LYS 280 HE2 -0.07 -0.07 0.01 -0.04 2.99 2.82 2zicA1 LYS 280 HE3 -0.34 0.01 -0.01 -0.04 2.99 2.61 2zicA1 GLU 281 H 0.12 0.07 -0.07 -0.55 8.60 8.17 2zicA1 GLU 281 HA 0.18 0.32 0.94 -0.75 4.29 4.98 2zicA1 GLU 281 HB2 0.08 -0.09 -0.01 -0.04 2.09 2.02 2zicA1 GLU 281 HB3 0.09 0.05 -0.01 -0.04 1.99 2.08 2zicA1 GLU 281 HG2 0.12 0.14 -0.01 -0.04 2.34 2.55 2zicA1 GLU 281 HG3 0.10 -0.08 -0.35 -0.04 2.34 1.97 2zicA1 LEU 282 H 0.18 0.19 0.15 -0.55 8.37 8.35 2zicA1 LEU 282 HA 0.05 0.11 0.43 -0.75 4.35 4.18 2zicA1 LEU 282 HB2 -0.17 0.11 0.11 -0.04 1.64 1.64 2zicA1 LEU 282 HB3 -0.01 0.02 0.18 -0.04 1.64 1.78 2zicA1 LEU 282 HG -0.24 -0.14 -0.47 -0.04 1.64 0.76 2zicA1 LEU 282 HD13 -1.00 -0.03 -0.08 -0.04 0.93 -0.21 2zicA1 LEU 282 HD23 -0.38 0.01 -0.02 -0.04 0.89 0.47 2zicA1 ASN 283 H -0.06 0.24 0.15 -0.55 8.53 8.30 2zicA1 ASN 283 HA -0.03 0.12 0.70 -0.75 4.76 4.79 2zicA1 ASN 283 HB2 -0.01 0.13 0.15 -0.04 2.88 3.12 2zicA1 ASN 283 HB3 -0.05 -0.02 0.28 -0.04 2.79 2.97 2zicA1 ASN 283 HD21 -0.01 -0.00 0.03 -0.04 7.03 7.00 2zicA1 ASN 283 HD22 -0.00 0.08 0.05 -0.04 7.74 7.83 2zicA1 VAL 284 H -0.06 0.34 0.03 -0.55 8.24 7.99 2zicA1 VAL 284 HA -0.08 0.02 0.33 -0.75 4.13 3.64 2zicA1 VAL 284 HB -0.05 0.02 0.03 -0.04 2.12 2.08 2zicA1 VAL 284 HG13 0.06 -0.00 -0.11 -0.04 0.97 0.87 2zicA1 VAL 284 HG23 -0.07 0.06 0.09 -0.04 0.95 1.00 2zicA1 PRO 285 HA -0.08 0.16 0.51 -0.51 4.44 4.52 2zicA1 PRO 285 HB2 -0.04 -0.01 0.03 -0.04 2.28 2.21 2zicA1 PRO 285 HB3 -0.05 0.05 0.10 -0.04 2.02 2.08 2zicA1 PRO 285 HG2 -0.04 -0.00 0.07 -0.04 2.03 2.02 2zicA1 PRO 285 HG3 -0.05 0.14 0.13 -0.04 2.03 2.21 2zicA1 PRO 285 HD2 -0.04 0.00 0.00 -0.04 3.68 3.60 2zicA1 PRO 285 HD3 -0.05 0.13 0.03 -0.04 3.65 3.72 2zicA1 ALA 286 H -0.06 0.18 -0.35 -0.55 8.40 7.62 2zicA1 ALA 286 HA -0.04 0.03 0.46 -0.75 4.34 4.03 2zicA1 ALA 286 HB3 -0.05 0.05 0.12 -0.04 1.41 1.49 2zicA1 LEU 287 H -0.13 0.45 -0.05 -0.55 8.37 8.09 2zicA1 LEU 287 HA -0.28 -0.02 0.45 -0.75 4.35 3.75 2zicA1 LEU 287 HB2 -0.35 0.01 0.07 -0.04 1.64 1.33 2zicA1 LEU 287 HB3 -0.07 0.14 0.13 -0.04 1.64 1.79 2zicA1 LEU 287 HG -0.47 -0.02 -0.14 -0.04 1.64 0.97 2zicA1 LEU 287 HD13 -0.88 -0.01 0.03 -0.04 0.93 0.03 2zicA1 LEU 287 HD23 -0.10 0.01 -0.06 -0.04 0.89 0.71 2zicA1 LYS 288 H -0.08 0.61 -0.14 -0.55 8.42 8.26 2zicA1 LYS 288 HA -0.21 0.01 0.39 -0.75 4.32 3.75 2zicA1 LYS 288 HB2 -0.17 0.13 0.19 -0.04 1.87 1.98 2zicA1 LYS 288 HB3 -0.30 -0.03 0.03 -0.04 1.79 1.44 2zicA1 LYS 288 HG2 -1.15 -0.05 0.05 -0.04 1.46 0.26 2zicA1 LYS 288 HG3 -0.33 -0.01 0.04 -0.04 1.46 1.11 2zicA1 LYS 288 HD2 -0.14 0.04 -0.16 -0.04 1.69 1.39 2zicA1 LYS 288 HD3 -0.14 -0.11 -0.09 -0.04 1.68 1.30 2zicA1 LYS 288 HE2 -0.17 -0.09 0.05 -0.04 2.99 2.74 2zicA1 LYS 288 HE3 -0.28 -0.04 0.10 -0.04 2.99 2.73 2zicA1 THR 289 H -0.06 0.42 -0.22 -0.55 8.28 7.87 2zicA1 THR 289 HA -0.01 0.03 0.42 -0.75 4.39 4.07 2zicA1 THR 289 HB -0.02 0.13 0.18 -0.04 4.32 4.57 2zicA1 THR 289 HG23 -0.00 -0.02 -0.07 -0.04 1.22 1.08 2zicA1 ILE 290 H -0.02 0.47 -0.12 -0.55 8.25 8.03 2zicA1 ILE 290 HA 0.14 0.00 0.46 -0.75 4.18 4.03 2zicA1 ILE 290 HB -0.10 0.11 0.17 -0.04 1.89 2.02 2zicA1 ILE 290 HG12 0.10 -0.07 -0.00 -0.04 1.49 1.47 2zicA1 ILE 290 HG13 0.01 0.18 0.10 -0.04 1.21 1.46 2zicA1 ILE 290 HG23 0.22 -0.04 -0.15 -0.04 0.93 0.91 2zicA1 ILE 290 HD13 0.02 -0.03 -0.17 -0.04 0.88 0.66 2zicA1 PHE 291 H 0.07 0.72 0.02 -0.55 8.34 8.60 2zicA1 PHE 291 HA -0.09 -0.01 0.41 -0.75 4.62 4.18 2zicA1 PHE 291 HB2 0.23 0.10 0.10 -0.04 3.15 3.55 2zicA1 PHE 291 HB3 -0.06 0.04 -0.06 -0.04 3.06 2.94 2zicA1 PHE 291 HD2 -0.19 -0.02 -0.08 -0.04 7.28 6.94 2zicA1 PHE 291 HE2 -0.75 -0.04 -0.05 -0.04 7.38 6.49 2zicA1 PHE 291 HZ -0.93 0.01 -0.03 -0.04 7.32 6.33 2zicA1 ASN 292 H 0.13 0.57 -0.19 -0.55 8.53 8.49 2zicA1 ASN 292 HA -0.16 0.03 0.40 -0.75 4.76 4.28 2zicA1 ASN 292 HB2 0.17 0.04 0.14 -0.04 2.88 3.18 2zicA1 ASN 292 HB3 0.06 0.09 0.16 -0.04 2.79 3.06 2zicA1 ASN 292 HD21 0.07 -0.03 -0.02 -0.04 7.03 7.01 2zicA1 ASN 292 HD22 0.04 0.02 -0.05 -0.04 7.74 7.71 2zicA1 LYS 293 H 0.05 0.48 -0.24 -0.55 8.42 8.16 2zicA1 LYS 293 HA -0.07 -0.00 0.45 -0.75 4.32 3.94 2zicA1 LYS 293 HB2 -0.04 0.09 0.18 -0.04 1.87 2.06 2zicA1 LYS 293 HB3 -0.00 0.12 0.26 -0.04 1.79 2.12 2zicA1 LYS 293 HG2 -0.45 -0.05 -0.17 -0.04 1.46 0.75 2zicA1 LYS 293 HG3 -0.18 -0.03 0.05 -0.04 1.46 1.26 2zicA1 LYS 293 HD2 -0.19 -0.07 0.02 -0.04 1.69 1.41 2zicA1 LYS 293 HD3 -0.08 0.03 0.02 -0.04 1.68 1.61 2zicA1 LYS 293 HE2 0.03 0.08 0.06 -0.04 2.99 3.12 2zicA1 LYS 293 HE3 -0.27 -0.06 0.03 -0.04 2.99 2.65 2zicA1 TRP 294 H 0.24 0.55 -0.01 -0.55 7.97 8.20 2zicA1 TRP 294 HA -0.10 -0.07 0.40 -0.75 4.62 4.11 2zicA1 TRP 294 HB2 -0.15 0.12 0.14 -0.04 3.23 3.29 2zicA1 TRP 294 HB3 -0.19 0.02 0.03 -0.04 3.23 3.05 2zicA1 TRP 294 HD1 -0.01 0.38 0.08 -0.04 7.22 7.63 2zicA1 TRP 294 HE1 0.01 -0.06 0.02 -0.04 10.20 10.13 2zicA1 TRP 294 HE3 -0.10 0.12 -0.01 -0.04 7.59 7.56 2zicA1 TRP 294 HZ2 0.04 0.10 -0.07 -0.04 7.44 7.47 2zicA1 TRP 294 HZ3 -0.01 0.03 -0.13 -0.04 7.13 6.98 2zicA1 TRP 294 HH2 0.04 -0.04 -0.60 -0.04 7.19 6.55 2zicA1 GLN 295 H -0.15 0.42 -0.32 -0.55 8.47 7.88 2zicA1 GLN 295 HA -0.24 0.12 0.51 -0.75 4.36 4.00 2zicA1 GLN 295 HB2 -0.75 0.02 0.17 -0.04 2.15 1.55 2zicA1 GLN 295 HB3 -0.57 -0.03 -0.00 -0.04 2.02 1.37 2zicA1 GLN 295 HG2 -0.65 0.08 0.04 -0.04 2.40 1.83 2zicA1 GLN 295 HG3 -1.87 -0.08 -0.04 -0.04 2.39 0.35 2zicA1 GLN 295 HE21 -0.41 0.50 0.08 -0.04 6.97 7.10 2zicA1 GLN 295 HE22 -0.44 -0.12 -0.06 -0.04 7.69 7.03 2zicA1 THR 296 H -0.09 0.57 -0.02 -0.55 8.28 8.19 2zicA1 THR 296 HA 0.01 0.08 0.52 -0.75 4.39 4.25 2zicA1 THR 296 HB -0.03 0.02 0.20 -0.04 4.32 4.47 2zicA1 THR 296 HG23 -0.00 -0.03 -0.08 -0.04 1.22 1.06 2zicA1 GLU 297 H -0.12 0.72 0.05 -0.55 8.60 8.70 2zicA1 GLU 297 HA -0.08 0.02 0.45 -0.75 4.29 3.92 2zicA1 GLU 297 HB2 -0.30 0.05 0.04 -0.04 2.09 1.84 2zicA1 GLU 297 HB3 -0.21 -0.11 -0.02 -0.04 1.99 1.60 2zicA1 GLU 297 HG2 -0.18 0.17 0.12 -0.04 2.34 2.40 2zicA1 GLU 297 HG3 -0.25 -0.16 0.01 -0.04 2.34 1.90 2zicA1 LEU 298 H -0.07 0.35 -0.53 -0.55 8.37 7.57 2zicA1 LEU 298 HA -0.00 0.10 0.73 -0.75 4.35 4.42 2zicA1 LEU 298 HB2 -0.00 0.30 0.10 -0.04 1.64 2.00 2zicA1 LEU 298 HB3 0.02 -0.01 -0.15 -0.04 1.64 1.46 2zicA1 LEU 298 HG 0.06 0.00 -0.20 -0.04 1.64 1.46 2zicA1 LEU 298 HD13 -0.10 0.01 -0.27 -0.04 0.93 0.53 2zicA1 LEU 298 HD23 0.21 -0.04 -0.24 -0.04 0.89 0.77 2zicA1 GLU 299 H 0.01 0.15 -0.20 -0.55 8.60 8.02 2zicA1 GLU 299 HA 0.04 0.17 0.55 -0.75 4.29 4.29 2zicA1 GLU 299 HB2 0.04 -0.03 0.14 -0.04 2.09 2.20 2zicA1 GLU 299 HB3 0.02 0.09 0.10 -0.04 1.99 2.15 2zicA1 GLU 299 HG2 0.04 -0.03 -0.13 -0.04 2.34 2.18 2zicA1 GLU 299 HG3 0.02 -0.04 0.01 -0.04 2.34 2.30 2zicA1 LEU 300 H 0.09 0.14 0.20 -0.55 8.37 8.25 2zicA1 LEU 300 HA 0.21 0.13 0.43 -0.75 4.35 4.37 2zicA1 LEU 300 HB2 0.11 0.01 0.11 -0.04 1.64 1.82 2zicA1 LEU 300 HB3 0.13 0.15 0.20 -0.04 1.64 2.08 2zicA1 LEU 300 HG 0.05 -0.02 -0.10 -0.04 1.64 1.53 2zicA1 LEU 300 HD13 0.05 0.03 0.05 -0.04 0.93 1.02 2zicA1 LEU 300 HD23 0.06 -0.03 0.11 -0.04 0.89 0.98 2zicA1 GLY 301 H 0.14 0.20 0.19 -0.55 8.43 8.42 2zicA1 GLY 301 HA2 0.06 -0.01 0.45 -0.51 4.01 3.99 2zicA1 GLY 301 HA3 0.04 0.11 0.57 -0.51 4.01 4.22 2zicA1 GLN 302 H 0.08 0.61 -0.66 -0.55 8.47 7.96 2zicA1 GLN 302 HA 0.05 0.03 0.70 -0.75 4.36 4.39 2zicA1 GLN 302 HB2 0.04 0.13 0.05 -0.04 2.15 2.33 2zicA1 GLN 302 HB3 0.03 -0.03 0.02 -0.04 2.02 1.99 2zicA1 GLN 302 HG2 0.01 -0.04 0.05 -0.04 2.40 2.38 2zicA1 GLN 302 HG3 0.01 -0.06 0.11 -0.04 2.39 2.41 2zicA1 GLN 302 HE21 0.01 -0.03 -0.01 -0.04 6.97 6.90 2zicA1 GLN 302 HE22 0.01 -0.03 0.01 -0.04 7.69 7.64 2zicA1 GLY 303 H 0.16 0.30 -0.10 -0.55 8.43 8.25 2zicA1 GLY 303 HA2 0.17 0.06 0.01 -0.51 4.01 3.75 2zicA1 GLY 303 HA3 0.13 -0.01 0.28 -0.51 4.01 3.89 2zicA1 TRP 304 H 0.26 0.16 0.07 -0.55 7.97 7.92 2zicA1 TRP 304 HA 0.09 0.19 0.79 -0.75 4.62 4.93 2zicA1 TRP 304 HB2 0.21 0.01 -0.18 -0.04 3.23 3.23 2zicA1 TRP 304 HB3 0.08 0.19 0.15 -0.04 3.23 3.61 2zicA1 TRP 304 HD1 -0.03 -0.13 -0.24 -0.04 7.22 6.78 2zicA1 TRP 304 HE1 0.12 -0.04 -0.08 -0.04 10.20 10.16 2zicA1 TRP 304 HE3 0.15 0.08 0.11 -0.04 7.59 7.88 2zicA1 TRP 304 HZ2 0.08 0.17 -0.11 -0.04 7.44 7.54 2zicA1 TRP 304 HZ3 0.06 0.04 0.06 -0.04 7.13 7.25 2zicA1 TRP 304 HH2 0.06 0.06 0.08 -0.04 7.19 7.35 2zicA1 ASN 305 H -0.82 0.27 0.12 -0.55 8.53 7.56 2zicA1 ASN 305 HA -0.17 0.00 0.75 -0.75 4.76 4.59 2zicA1 ASN 305 HB2 -0.54 0.27 0.17 -0.04 2.88 2.75 2zicA1 ASN 305 HB3 -0.37 0.08 -0.01 -0.04 2.79 2.45 2zicA1 ASN 305 HD21 -0.03 0.42 0.02 -0.04 7.03 7.40 2zicA1 ASN 305 HD22 -0.26 0.12 0.04 -0.04 7.74 7.60 2zicA1 SER 306 H -0.23 0.14 0.30 -0.55 8.46 8.12 2zicA1 SER 306 HA 0.01 0.21 0.79 -0.75 4.49 4.75 2zicA1 SER 306 HB2 -0.11 -0.00 -0.04 -0.04 3.95 3.76 2zicA1 SER 306 HB3 -0.25 -0.05 -0.06 -0.04 3.93 3.53 2zicA1 LEU 307 H 0.13 0.82 0.18 -0.55 8.37 8.95 2zicA1 LEU 307 HA -0.34 0.12 0.88 -0.75 4.35 4.25 2zicA1 LEU 307 HB2 -0.23 -0.06 -0.22 -0.04 1.64 1.09 2zicA1 LEU 307 HB3 -0.44 -0.01 -0.18 -0.04 1.64 0.97 2zicA1 LEU 307 HG -0.31 -0.12 -0.84 -0.04 1.64 0.32 2zicA1 LEU 307 HD13 -0.30 0.10 -0.58 -0.04 0.93 0.11 2zicA1 LEU 307 HD23 -0.56 0.05 -0.20 -0.04 0.89 0.14 2zicA1 PHE 308 H -0.43 0.30 0.13 -0.55 8.34 7.79 2zicA1 PHE 308 HA -0.08 0.20 0.67 -0.75 4.62 4.66 2zicA1 PHE 308 HB2 -0.05 -0.01 0.08 -0.04 3.15 3.14 2zicA1 PHE 308 HB3 -0.12 0.06 -0.24 -0.04 3.06 2.72 2zicA1 PHE 308 HD2 -0.21 -0.01 -0.34 -0.04 7.28 6.67 2zicA1 PHE 308 HE2 -0.44 -0.04 -0.14 -0.04 7.38 6.72 2zicA1 PHE 308 HZ -1.60 -0.03 -0.21 -0.04 7.32 5.44 2zicA1 TRP 309 H 0.35 0.12 0.22 -0.55 7.97 8.11 2zicA1 TRP 309 HA 0.12 0.22 0.86 -0.75 4.62 5.06 2zicA1 TRP 309 HB2 0.15 -0.04 0.11 -0.04 3.23 3.41 2zicA1 TRP 309 HB3 0.15 -0.04 -0.01 -0.04 3.23 3.29 2zicA1 TRP 309 HD1 0.24 -0.01 -0.08 -0.04 7.22 7.33 2zicA1 TRP 309 HE1 0.15 0.34 -0.16 -0.04 10.20 10.49 2zicA1 TRP 309 HE3 0.67 -0.02 0.04 -0.04 7.59 8.24 2zicA1 TRP 309 HZ2 0.08 0.07 -0.03 -0.04 7.44 7.52 2zicA1 TRP 309 HZ3 -0.03 -0.02 -0.05 -0.04 7.13 6.99 2zicA1 TRP 309 HH2 0.08 0.00 -0.08 -0.04 7.19 7.15 2zicA1 ASN 310 H 0.35 0.13 0.21 -0.55 8.53 8.67 2zicA1 ASN 310 HA 0.08 0.13 0.48 -0.75 4.76 4.70 2zicA1 ASN 310 HB2 -0.11 0.12 -0.07 -0.04 2.88 2.78 2zicA1 ASN 310 HB3 -0.01 0.25 -0.14 -0.04 2.79 2.85 2zicA1 ASN 310 HD21 0.23 -0.04 0.04 -0.04 7.03 7.22 2zicA1 ASN 310 HD22 0.17 0.02 0.02 -0.04 7.74 7.91 2zicA1 ASN 311 H -0.22 0.22 0.07 -0.55 8.53 8.06 2zicA1 ASN 311 HA -0.61 0.18 0.55 -0.75 4.76 4.13 2zicA1 ASN 311 HB2 -0.00 -0.16 0.14 -0.04 2.88 2.82 2zicA1 ASN 311 HB3 -0.12 0.16 -0.15 -0.04 2.79 2.64 2zicA1 ASN 311 HD21 0.17 0.04 -0.18 -0.04 7.03 7.02 2zicA1 ASN 311 HD22 -0.31 0.07 -0.21 -0.04 7.74 7.24 2zicA1 HIS 312 H 0.03 0.14 0.08 -0.55 8.41 8.11 2zicA1 HIS 312 HA -0.46 0.27 0.45 -0.75 4.63 4.14 2zicA1 HIS 312 HB2 -0.39 0.05 0.08 -0.04 3.26 2.96 2zicA1 HIS 312 HB3 0.03 0.01 0.04 -0.04 3.20 3.23 2zicA1 HIS 312 HD2 0.31 0.02 -0.10 -0.04 6.97 7.15 2zicA1 HIS 312 HE1 0.37 -0.01 -0.07 -0.04 7.75 7.99 2zicA1 ASP 313 H -0.41 -0.04 -0.40 -0.55 8.40 7.00 2zicA1 ASP 313 HA -0.23 0.18 0.90 -0.75 4.63 4.73 2zicA1 ASP 313 HB2 -0.10 -0.01 -0.08 -0.04 2.71 2.49 2zicA1 ASP 313 HB3 -0.10 0.02 0.10 -0.04 2.70 2.68 2zicA1 LEU 314 H -0.24 0.21 -0.24 -0.55 8.37 7.56 2zicA1 LEU 314 HA -0.12 0.35 0.98 -0.75 4.35 4.80 2zicA1 LEU 314 HB2 -0.12 -0.30 0.03 -0.04 1.64 1.21 2zicA1 LEU 314 HB3 -0.14 0.23 0.08 -0.04 1.64 1.78 2zicA1 LEU 314 HG 0.03 -0.27 -0.40 -0.04 1.64 0.96 2zicA1 LEU 314 HD13 0.12 -0.01 -0.13 -0.04 0.93 0.86 2zicA1 LEU 314 HD23 0.10 0.09 -0.10 -0.04 0.89 0.95 2zicA1 PRO 315 HA -0.10 0.01 0.37 -0.51 4.44 4.21 2zicA1 PRO 315 HB2 -0.18 -0.02 -0.00 -0.04 2.28 2.04 2zicA1 PRO 315 HB3 -0.14 0.40 0.17 -0.04 2.02 2.41 2zicA1 PRO 315 HG2 -0.33 -0.07 0.01 -0.04 2.03 1.61 2zicA1 PRO 315 HG3 -0.26 0.13 0.08 -0.04 2.03 1.94 2zicA1 PRO 315 HD2 -0.19 -0.00 0.21 -0.04 3.68 3.66 2zicA1 PRO 315 HD3 -0.16 0.23 0.17 -0.04 3.65 3.84 2zicA1 ARG 316 H -0.07 0.12 -0.00 -0.55 8.46 7.95 2zicA1 ARG 316 HA -0.05 0.04 0.35 -0.75 4.34 3.93 2zicA1 ARG 316 HB2 -0.05 -0.13 -0.04 -0.04 1.90 1.64 2zicA1 ARG 316 HB3 -0.02 0.05 -0.06 -0.04 1.80 1.73 2zicA1 ARG 316 HG2 0.06 -0.01 -0.11 -0.04 1.67 1.57 2zicA1 ARG 316 HG3 0.00 0.08 -0.18 -0.04 1.67 1.53 2zicA1 ARG 316 HD2 -0.01 0.15 -0.47 -0.04 3.22 2.84 2zicA1 ARG 316 HD3 0.01 -0.02 -0.44 -0.04 3.22 2.73 2zicA1 VAL 317 H -0.03 0.12 0.08 -0.55 8.24 7.85 2zicA1 VAL 317 HA -0.21 0.15 0.27 -0.75 4.13 3.57 2zicA1 VAL 317 HB 0.02 0.01 0.01 -0.04 2.12 2.11 2zicA1 VAL 317 HG13 -0.11 0.01 -0.04 -0.04 0.97 0.79 2zicA1 VAL 317 HG23 -0.48 0.02 -0.10 -0.04 0.95 0.35 2zicA1 LEU 318 H -0.10 0.16 -0.27 -0.55 8.37 7.62 2zicA1 LEU 318 HA -0.16 -0.01 0.34 -0.75 4.35 3.77 2zicA1 LEU 318 HB2 -0.09 0.08 -0.03 -0.04 1.64 1.56 2zicA1 LEU 318 HB3 -0.12 0.05 -0.19 -0.04 1.64 1.34 2zicA1 LEU 318 HG -0.10 -0.08 -0.00 -0.04 1.64 1.43 2zicA1 LEU 318 HD13 -0.07 0.05 -0.07 -0.04 0.93 0.79 2zicA1 LEU 318 HD23 -0.22 0.03 0.02 -0.04 0.89 0.68 2zicA1 SER 319 H -0.10 0.22 -0.26 -0.55 8.46 7.77 2zicA1 SER 319 HA -0.06 0.05 0.37 -0.75 4.49 4.10 2zicA1 SER 319 HB2 -0.10 0.13 0.10 -0.04 3.95 4.03 2zicA1 SER 319 HB3 -0.08 0.10 0.03 -0.04 3.93 3.94 2zicA1 ILE 320 H -0.18 0.20 -0.20 -0.55 8.25 7.52 2zicA1 ILE 320 HA -0.10 0.22 0.72 -0.75 4.18 4.26 2zicA1 ILE 320 HB -0.32 0.01 -0.01 -0.04 1.89 1.52 2zicA1 ILE 320 HG12 -0.63 -0.05 -0.04 -0.04 1.49 0.73 2zicA1 ILE 320 HG13 -0.53 -0.01 -0.16 -0.04 1.21 0.47 2zicA1 ILE 320 HG23 -0.82 0.00 -0.11 -0.04 0.93 -0.03 2zicA1 ILE 320 HD13 -0.09 0.04 0.04 -0.04 0.88 0.83 2zicA1 TRP 321 H -0.03 0.44 0.04 -0.55 7.97 7.88 2zicA1 TRP 321 HA 0.03 0.20 1.02 -0.75 4.62 5.11 2zicA1 TRP 321 HB2 -0.19 0.01 0.01 -0.04 3.23 3.02 2zicA1 TRP 321 HB3 -0.06 -0.06 0.07 -0.04 3.23 3.13 2zicA1 TRP 321 HD1 0.03 0.22 -0.10 -0.04 7.22 7.33 2zicA1 TRP 321 HE1 0.02 0.07 -0.23 -0.04 10.20 10.02 2zicA1 TRP 321 HE3 -0.05 -0.03 -0.04 -0.04 7.59 7.43 2zicA1 TRP 321 HZ2 -0.03 0.04 -0.11 -0.04 7.44 7.30 2zicA1 TRP 321 HZ3 0.64 -0.01 -0.02 -0.04 7.13 7.70 2zicA1 TRP 321 HH2 -0.08 -0.13 -0.41 -0.04 7.19 6.53 2zicA1 GLY 322 H 0.00 0.19 -0.01 -0.55 8.43 8.06 2zicA1 GLY 322 HA2 -0.18 0.16 0.80 -0.51 4.01 4.27 2zicA1 GLY 322 HA3 -0.28 -0.12 0.33 -0.51 4.01 3.43 2zicA1 ASN 323 H -0.51 0.17 0.13 -0.55 8.53 7.77 2zicA1 ASN 323 HA -0.01 0.21 0.84 -0.75 4.76 5.04 2zicA1 ASN 323 HB2 -0.10 0.10 -0.13 -0.04 2.88 2.71 2zicA1 ASN 323 HB3 -0.46 0.11 -0.13 -0.04 2.79 2.26 2zicA1 ASN 323 HD21 0.25 -0.06 0.02 -0.04 7.03 7.20 2zicA1 ASN 323 HD22 0.40 0.15 -0.02 -0.04 7.74 8.23 2zicA1 THR 324 H -0.03 0.19 0.05 -0.55 8.28 7.95 2zicA1 THR 324 HA -0.09 0.23 0.89 -0.75 4.39 4.67 2zicA1 THR 324 HB -0.06 0.01 0.14 -0.04 4.32 4.37 2zicA1 THR 324 HG23 -0.07 0.06 -0.33 -0.04 1.22 0.84 2zicA1 GLY 325 H -0.04 -0.05 -0.22 -0.55 8.43 7.57 2zicA1 GLY 325 HA2 -0.05 0.34 0.96 -0.51 4.01 4.74 2zicA1 GLY 325 HA3 -0.04 -0.02 0.38 -0.51 4.01 3.83 2zicA1 LYS 326 H -0.11 0.18 0.14 -0.55 8.42 8.07 2zicA1 LYS 326 HA -0.17 0.13 0.42 -0.75 4.32 3.95 2zicA1 LYS 326 HB2 -0.22 0.03 0.14 -0.04 1.87 1.78 2zicA1 LYS 326 HB3 -0.44 -0.02 0.13 -0.04 1.79 1.42 2zicA1 LYS 326 HG2 -1.17 0.03 -0.18 -0.04 1.46 0.09 2zicA1 LYS 326 HG3 -0.32 0.02 0.09 -0.04 1.46 1.20 2zicA1 LYS 326 HD2 -0.18 -0.00 0.04 -0.04 1.69 1.50 2zicA1 LYS 326 HD3 -0.35 0.01 0.02 -0.04 1.68 1.32 2zicA1 LYS 326 HE2 -0.04 0.01 0.02 -0.04 2.99 2.93 2zicA1 LYS 326 HE3 -0.17 0.02 -0.00 -0.04 2.99 2.80 2zicA1 TYR 327 H -0.06 -0.02 -0.33 -0.55 8.29 7.33 2zicA1 TYR 327 HA -0.02 0.26 0.90 -0.75 4.56 4.95 2zicA1 TYR 327 HB2 -0.13 -0.02 0.01 -0.04 3.06 2.88 2zicA1 TYR 327 HB3 -0.07 0.02 0.10 -0.04 2.98 2.99 2zicA1 TYR 327 HD2 0.19 -0.01 -0.03 -0.04 7.15 7.25 2zicA1 TYR 327 HE2 0.12 0.05 0.02 -0.04 6.85 7.00 2zicA1 ARG 328 H -0.07 0.46 -0.39 -0.55 8.46 7.92 2zicA1 ARG 328 HA -0.17 0.46 0.35 -0.75 4.34 4.23 2zicA1 ARG 328 HB2 -0.07 0.00 -0.13 -0.04 1.90 1.65 2zicA1 ARG 328 HB3 -0.06 -0.07 0.08 -0.04 1.80 1.71 2zicA1 ARG 328 HG2 -0.07 -0.04 -0.18 -0.04 1.67 1.34 2zicA1 ARG 328 HG3 -0.09 0.04 0.10 -0.04 1.67 1.68 2zicA1 ARG 328 HD2 -0.05 0.19 0.03 -0.04 3.22 3.35 2zicA1 ARG 328 HD3 -0.06 0.01 -0.01 -0.04 3.22 3.12 2zicA1 GLU 329 H -0.03 0.16 -0.06 -0.55 8.60 8.12 2zicA1 GLU 329 HA -0.01 0.08 0.38 -0.75 4.29 3.98 2zicA1 GLU 329 HB2 0.01 0.04 0.12 -0.04 2.09 2.21 2zicA1 GLU 329 HB3 0.02 0.00 0.06 -0.04 1.99 2.04 2zicA1 GLU 329 HG2 0.05 0.10 -0.04 -0.04 2.34 2.42 2zicA1 GLU 329 HG3 0.04 -0.05 0.06 -0.04 2.34 2.35 2zicA1 LYS 330 H 0.02 0.05 -0.28 -0.55 8.42 7.65 2zicA1 LYS 330 HA 0.04 0.09 0.45 -0.75 4.32 4.15 2zicA1 LYS 330 HB2 0.13 -0.02 0.09 -0.04 1.87 2.03 2zicA1 LYS 330 HB3 0.15 -0.00 0.05 -0.04 1.79 1.95 2zicA1 LYS 330 HG2 0.19 0.12 -0.13 -0.04 1.46 1.60 2zicA1 LYS 330 HG3 0.12 -0.01 0.07 -0.04 1.46 1.60 2zicA1 LYS 330 HD2 0.17 -0.06 0.00 -0.04 1.69 1.75 2zicA1 LYS 330 HD3 0.19 0.11 -0.05 -0.04 1.68 1.88 2zicA1 LYS 330 HE2 0.14 0.04 -0.57 -0.04 2.99 2.57 2zicA1 LYS 330 HE3 0.12 0.04 -0.13 -0.04 2.99 2.98 2zicA1 SER 331 H -0.31 0.73 -0.05 -0.55 8.46 8.28 2zicA1 SER 331 HA -0.37 0.08 0.51 -0.75 4.49 3.96 2zicA1 SER 331 HB2 -2.44 -0.04 0.10 -0.04 3.95 1.54 2zicA1 SER 331 HB3 -2.16 -0.00 0.12 -0.04 3.93 1.85 2zicA1 ALA 332 H -0.20 0.56 -0.17 -0.55 8.40 8.04 2zicA1 ALA 332 HA -0.13 -0.03 0.40 -0.75 4.34 3.81 2zicA1 ALA 332 HB3 -0.02 0.05 0.11 -0.04 1.41 1.51 2zicA1 LYS 333 H -0.04 0.44 -0.17 -0.55 8.42 8.10 2zicA1 LYS 333 HA -0.11 0.02 0.43 -0.75 4.32 3.91 2zicA1 LYS 333 HB2 0.03 0.15 0.15 -0.04 1.87 2.16 2zicA1 LYS 333 HB3 0.00 -0.05 0.00 -0.04 1.79 1.70 2zicA1 LYS 333 HG2 0.02 -0.06 0.02 -0.04 1.46 1.39 2zicA1 LYS 333 HG3 0.02 0.25 0.12 -0.04 1.46 1.81 2zicA1 LYS 333 HD2 0.05 -0.02 0.01 -0.04 1.69 1.69 2zicA1 LYS 333 HD3 0.05 -0.03 -0.02 -0.04 1.68 1.65 2zicA1 LYS 333 HE2 0.09 0.03 -0.32 -0.04 2.99 2.75 2zicA1 LYS 333 HE3 0.06 -0.14 -0.12 -0.04 2.99 2.75 2zicA1 ALA 334 H 0.03 0.54 -0.13 -0.55 8.40 8.29 2zicA1 ALA 334 HA 0.09 -0.03 0.36 -0.75 4.34 4.01 2zicA1 ALA 334 HB3 0.29 0.09 0.07 -0.04 1.41 1.82 2zicA1 LEU 335 H -0.00 0.67 -0.11 -0.55 8.37 8.38 2zicA1 LEU 335 HA 0.15 0.02 0.33 -0.75 4.35 4.09 2zicA1 LEU 335 HB2 -0.22 0.09 0.05 -0.04 1.64 1.53 2zicA1 LEU 335 HB3 -0.74 -0.07 -0.06 -0.04 1.64 0.73 2zicA1 LEU 335 HG -0.05 0.07 0.01 -0.04 1.64 1.63 2zicA1 LEU 335 HD13 -0.36 -0.02 -0.22 -0.04 0.93 0.29 2zicA1 LEU 335 HD23 -0.37 0.01 -0.08 -0.04 0.89 0.41 2zicA1 ALA 336 H -0.01 0.40 -0.43 -0.55 8.40 7.81 2zicA1 ALA 336 HA 0.20 -0.03 0.38 -0.75 4.34 4.14 2zicA1 ALA 336 HB3 -0.68 0.04 0.05 -0.04 1.41 0.77 2zicA1 ILE 337 H -0.01 0.65 -0.14 -0.55 8.25 8.21 2zicA1 ILE 337 HA 0.02 0.02 0.26 -0.75 4.18 3.72 2zicA1 ILE 337 HB 0.05 0.11 0.07 -0.04 1.89 2.08 2zicA1 ILE 337 HG12 -0.02 0.42 -0.00 -0.04 1.49 1.85 2zicA1 ILE 337 HG13 0.04 -0.12 -0.21 -0.04 1.21 0.88 2zicA1 ILE 337 HG23 0.04 -0.03 -0.31 -0.04 0.93 0.58 2zicA1 ILE 337 HD13 -0.01 -0.02 -0.14 -0.04 0.88 0.66 2zicA1 LEU 338 H 0.15 0.55 -0.22 -0.55 8.37 8.30 2zicA1 LEU 338 HA 0.14 0.02 0.24 -0.75 4.35 3.99 2zicA1 LEU 338 HB2 0.09 -0.02 -0.00 -0.04 1.64 1.66 2zicA1 LEU 338 HB3 0.31 0.06 0.06 -0.04 1.64 2.03 2zicA1 LEU 338 HG 0.01 0.01 -0.32 -0.04 1.64 1.30 2zicA1 LEU 338 HD13 -0.67 0.00 -0.07 -0.04 0.93 0.15 2zicA1 LEU 338 HD23 -0.11 -0.03 -0.08 -0.04 0.89 0.63 2zicA1 LEU 339 H 0.32 0.39 -0.31 -0.55 8.37 8.23 2zicA1 LEU 339 HA -0.30 0.07 0.47 -0.75 4.35 3.84 2zicA1 LEU 339 HB2 -0.38 -0.03 -0.01 -0.04 1.64 1.18 2zicA1 LEU 339 HB3 0.23 0.04 0.05 -0.04 1.64 1.92 2zicA1 LEU 339 HG -0.43 0.08 -0.38 -0.04 1.64 0.87 2zicA1 LEU 339 HD13 -1.22 -0.03 -0.10 -0.04 0.93 -0.47 2zicA1 LEU 339 HD23 -0.59 -0.04 -0.34 -0.04 0.89 -0.12 2zicA1 HIS 340 H 0.32 0.48 -0.02 -0.55 8.41 8.65 2zicA1 HIS 340 HA -0.05 0.07 0.29 -0.75 4.63 4.18 2zicA1 HIS 340 HB2 0.01 0.09 0.02 -0.04 3.26 3.35 2zicA1 HIS 340 HB3 -0.00 0.04 -0.01 -0.04 3.20 3.19 2zicA1 HIS 340 HD2 0.14 -0.04 0.00 -0.04 6.97 7.02 2zicA1 HIS 340 HE1 0.22 -0.04 -0.14 -0.04 7.75 7.74 2zicA1 LEU 341 H 0.15 0.23 -0.60 -0.55 8.37 7.61 2zicA1 LEU 341 HA 0.05 0.20 0.77 -0.75 4.35 4.61 2zicA1 LEU 341 HB2 0.28 0.07 -0.05 -0.04 1.64 1.90 2zicA1 LEU 341 HB3 0.35 -0.10 0.05 -0.04 1.64 1.90 2zicA1 LEU 341 HG 0.13 0.05 -0.12 -0.04 1.64 1.65 2zicA1 LEU 341 HD13 0.16 -0.05 -0.11 -0.04 0.93 0.89 2zicA1 LEU 341 HD23 0.09 0.03 -0.13 -0.04 0.89 0.83 2zicA1 MET 342 H -0.02 0.31 -0.40 -0.55 8.47 7.81 2zicA1 MET 342 HA 0.05 0.04 0.57 -0.75 4.52 4.42 2zicA1 MET 342 HB2 -0.33 0.15 -0.03 -0.04 2.15 1.90 2zicA1 MET 342 HB3 -0.39 -0.06 0.02 -0.04 2.03 1.57 2zicA1 MET 342 HG2 -0.37 -0.07 -0.07 -0.04 2.63 2.08 2zicA1 MET 342 HG3 -0.16 0.19 -0.02 -0.04 2.56 2.52 2zicA1 MET 342 HE3 -1.04 0.03 -0.04 -0.04 2.10 1.01 2zicA1 ARG 343 H -0.17 0.01 0.08 -0.55 8.46 7.83 2zicA1 ARG 343 HA -0.15 0.35 0.77 -0.75 4.34 4.56 2zicA1 ARG 343 HB2 -0.02 0.12 0.10 -0.04 1.90 2.06 2zicA1 ARG 343 HB3 -0.21 -0.13 0.18 -0.04 1.80 1.60 2zicA1 ARG 343 HG2 -0.60 -0.17 -0.11 -0.04 1.67 0.76 2zicA1 ARG 343 HG3 -0.07 0.08 0.20 -0.04 1.67 1.85 2zicA1 ARG 343 HD2 0.20 -0.08 0.13 -0.04 3.22 3.42 2zicA1 ARG 343 HD3 0.09 0.30 0.09 -0.04 3.22 3.66 2zicA1 GLY 344 H -0.27 0.37 0.22 -0.55 8.43 8.21 2zicA1 GLY 344 HA2 -1.59 -0.03 0.32 -0.51 4.01 2.20 2zicA1 GLY 344 HA3 -0.60 0.03 0.49 -0.51 4.01 3.42 2zicA1 THR 345 H -0.06 0.47 0.24 -0.55 8.28 8.38 2zicA1 THR 345 HA 0.15 0.39 0.85 -0.75 4.39 5.03 2zicA1 THR 345 HB 0.30 -0.17 0.15 -0.04 4.32 4.56 2zicA1 THR 345 HG23 -0.08 0.02 -0.17 -0.04 1.22 0.95 2zicA1 PRO 346 HA -0.01 0.21 0.80 -0.51 4.44 4.92 2zicA1 PRO 346 HB2 -0.79 -0.08 -0.07 -0.04 2.28 1.30 2zicA1 PRO 346 HB3 -0.56 0.05 -0.07 -0.04 2.02 1.40 2zicA1 PRO 346 HG2 -0.14 -0.12 0.12 -0.04 2.03 1.85 2zicA1 PRO 346 HG3 -0.28 0.13 0.03 -0.04 2.03 1.86 2zicA1 PRO 346 HD2 -0.02 0.31 0.34 -0.04 3.68 4.27 2zicA1 PRO 346 HD3 -0.11 0.40 0.03 -0.04 3.65 3.94 2zicA1 TYR 347 H 0.25 0.66 0.40 -0.55 8.29 9.05 2zicA1 TYR 347 HA 0.14 0.28 1.00 -0.75 4.56 5.23 2zicA1 TYR 347 HB2 0.15 -0.04 0.09 -0.04 3.06 3.22 2zicA1 TYR 347 HB3 0.20 -0.09 -0.10 -0.04 2.98 2.95 2zicA1 TYR 347 HD2 0.28 0.02 -0.22 -0.04 7.15 7.19 2zicA1 TYR 347 HE2 0.07 0.03 -0.17 -0.04 6.85 6.74 2zicA1 ILE 348 H 0.14 0.86 0.38 -0.55 8.25 9.08 2zicA1 ILE 348 HA 0.17 0.10 0.92 -0.75 4.18 4.61 2zicA1 ILE 348 HB 0.09 0.03 0.10 -0.04 1.89 2.07 2zicA1 ILE 348 HG12 0.21 -0.01 -0.09 -0.04 1.49 1.55 2zicA1 ILE 348 HG13 0.30 0.03 -0.26 -0.04 1.21 1.25 2zicA1 ILE 348 HG23 -0.21 -0.02 -0.18 -0.04 0.93 0.47 2zicA1 ILE 348 HD13 0.17 0.02 -0.12 -0.04 0.88 0.91 2zicA1 TYR 349 H 0.14 0.15 0.16 -0.55 8.29 8.19 2zicA1 TYR 349 HA -0.22 0.09 0.76 -0.75 4.56 4.43 2zicA1 TYR 349 HB2 -0.01 0.16 0.00 -0.04 3.06 3.17 2zicA1 TYR 349 HB3 -0.03 -0.06 0.02 -0.04 2.98 2.86 2zicA1 TYR 349 HD2 -0.12 -0.05 -0.10 -0.04 7.15 6.83 2zicA1 TYR 349 HE2 -0.09 0.03 -0.08 -0.04 6.85 6.67 2zicA1 GLN 350 H -0.84 0.48 0.26 -0.55 8.47 7.82 2zicA1 GLN 350 HA -0.34 -0.03 0.35 -0.75 4.36 3.58 2zicA1 GLN 350 HB2 0.13 0.01 0.05 -0.04 2.15 2.29 2zicA1 GLN 350 HB3 -0.05 0.08 0.20 -0.04 2.02 2.21 2zicA1 GLN 350 HG2 -0.98 -0.02 0.12 -0.04 2.40 1.48 2zicA1 GLN 350 HG3 -0.44 0.10 -0.02 -0.04 2.39 2.00 2zicA1 GLN 350 HE21 0.27 -0.04 -0.37 -0.04 6.97 6.78 2zicA1 GLN 350 HE22 0.02 0.17 -0.10 -0.04 7.69 7.73 2zicA1 GLY 351 H -0.01 0.11 0.15 -0.55 8.43 8.13 2zicA1 GLY 351 HA2 -0.13 0.01 0.35 -0.51 4.01 3.73 2zicA1 GLY 351 HA3 -0.12 0.28 0.64 -0.51 4.01 4.30 2zicA1 GLU 352 H -0.09 0.77 -0.32 -0.55 8.60 8.42 2zicA1 GLU 352 HA 0.01 0.05 0.45 -0.75 4.29 4.04 2zicA1 GLU 352 HB2 0.08 0.03 0.14 -0.04 2.09 2.29 2zicA1 GLU 352 HB3 -0.12 0.02 0.13 -0.04 1.99 1.98 2zicA1 GLU 352 HG2 0.05 0.04 -0.11 -0.04 2.34 2.28 2zicA1 GLU 352 HG3 0.12 -0.06 0.07 -0.04 2.34 2.43 2zicA1 GLU 353 H -0.13 0.09 -0.19 -0.55 8.60 7.83 2zicA1 GLU 353 HA -0.47 0.16 0.29 -0.75 4.29 3.52 2zicA1 GLU 353 HB2 -0.12 0.09 0.06 -0.04 2.09 2.08 2zicA1 GLU 353 HB3 -0.23 0.02 0.01 -0.04 1.99 1.75 2zicA1 GLU 353 HG2 0.24 0.03 -0.42 -0.04 2.34 2.14 2zicA1 GLU 353 HG3 0.36 0.10 -0.09 -0.04 2.34 2.67 2zicA1 ILE 354 H 0.00 0.28 -0.65 -0.55 8.25 7.33 2zicA1 ILE 354 HA 0.10 0.12 0.88 -0.75 4.18 4.53 2zicA1 ILE 354 HB 0.00 0.00 -0.00 -0.04 1.89 1.86 2zicA1 ILE 354 HG12 -0.06 -0.15 -0.03 -0.04 1.49 1.21 2zicA1 ILE 354 HG13 -0.05 0.08 -0.31 -0.04 1.21 0.89 2zicA1 ILE 354 HG23 0.07 -0.03 -0.19 -0.04 0.93 0.74 2zicA1 ILE 354 HD13 -0.16 -0.02 -0.11 -0.04 0.88 0.54 2zicA1 GLY 355 H 0.03 0.32 -0.15 -0.55 8.43 8.08 2zicA1 GLY 355 HA2 0.01 0.04 0.36 -0.51 4.01 3.90 2zicA1 GLY 355 HA3 0.00 0.01 0.43 -0.51 4.01 3.94 2zicA1 MET 356 H -0.03 0.32 0.03 -0.55 8.47 8.25 2zicA1 MET 356 HA -0.04 0.09 0.45 -0.75 4.52 4.27 2zicA1 MET 356 HB2 -0.04 -0.06 -0.00 -0.04 2.15 2.01 2zicA1 MET 356 HB3 -0.04 0.13 0.04 -0.04 2.03 2.12 2zicA1 MET 356 HG2 -0.06 0.04 0.03 -0.04 2.63 2.60 2zicA1 MET 356 HG3 -0.08 -0.04 -0.04 -0.04 2.56 2.36 2zicA1 MET 356 HE3 -0.08 0.08 -0.08 -0.04 2.10 1.98 2zicA1 THR 357 H -0.04 0.17 0.17 -0.55 8.28 8.04 2zicA1 THR 357 HA -0.05 0.06 0.87 -0.75 4.39 4.51 2zicA1 THR 357 HB -0.07 -0.11 0.12 -0.04 4.32 4.23 2zicA1 THR 357 HG23 -0.06 0.01 -0.15 -0.04 1.22 0.98 2zicA1 ASN 358 H -0.06 0.05 0.15 -0.55 8.53 8.12 2zicA1 ASN 358 HA -0.01 0.14 0.51 -0.75 4.76 4.66 2zicA1 ASN 358 HB2 -0.05 -0.04 0.11 -0.04 2.88 2.85 2zicA1 ASN 358 HB3 -0.01 0.14 0.15 -0.04 2.79 3.03 2zicA1 ASN 358 HD21 -0.08 0.17 0.04 -0.04 7.03 7.12 2zicA1 ASN 358 HD22 -0.04 0.54 0.24 -0.04 7.74 8.44 2zicA1 TYR 359 H 0.01 0.14 0.22 -0.55 8.29 8.11 2zicA1 TYR 359 HA -0.25 0.21 0.91 -0.75 4.56 4.68 2zicA1 TYR 359 HB2 -0.35 0.08 -0.02 -0.04 3.06 2.73 2zicA1 TYR 359 HB3 -0.95 -0.07 0.05 -0.04 2.98 1.98 2zicA1 TYR 359 HD2 -0.99 -0.10 -0.35 -0.04 7.15 5.67 2zicA1 TYR 359 HE2 -0.21 0.02 -0.36 -0.04 6.85 6.26 2zicA1 PRO 360 HA -0.14 0.14 0.46 -0.51 4.44 4.39 2zicA1 PRO 360 HB2 -0.22 0.01 0.13 -0.04 2.28 2.17 2zicA1 PRO 360 HB3 -0.22 0.04 0.07 -0.04 2.02 1.87 2zicA1 PRO 360 HG2 -0.80 0.00 0.07 -0.04 2.03 1.26 2zicA1 PRO 360 HG3 -0.42 0.02 0.08 -0.04 2.03 1.67 2zicA1 PRO 360 HD2 -1.34 0.07 0.17 -0.04 3.68 2.54 2zicA1 PRO 360 HD3 -0.44 0.19 0.14 -0.04 3.65 3.51 2zicA1 PHE 361 H 0.06 0.49 0.11 -0.55 8.34 8.43 2zicA1 PHE 361 HA 0.28 -0.03 0.33 -0.75 4.62 4.45 2zicA1 PHE 361 HB2 0.07 0.04 0.03 -0.04 3.15 3.25 2zicA1 PHE 361 HB3 0.05 -0.03 -0.12 -0.04 3.06 2.92 2zicA1 PHE 361 HD2 0.02 0.02 -0.07 -0.04 7.28 7.21 2zicA1 PHE 361 HE2 -0.22 0.03 -0.19 -0.04 7.38 6.97 2zicA1 PHE 361 HZ -0.26 0.14 -0.17 -0.04 7.32 6.98 2zicA1 LYS 362 H 0.22 0.05 0.19 -0.55 8.42 8.32 2zicA1 LYS 362 HA 0.07 0.21 0.67 -0.75 4.32 4.51 2zicA1 LYS 362 HB2 0.08 -0.07 0.15 -0.04 1.87 1.99 2zicA1 LYS 362 HB3 0.04 -0.03 -0.01 -0.04 1.79 1.75 2zicA1 LYS 362 HG2 0.02 0.03 0.01 -0.04 1.46 1.48 2zicA1 LYS 362 HG3 0.04 0.12 0.05 -0.04 1.46 1.62 2zicA1 LYS 362 HD2 0.04 -0.02 0.02 -0.04 1.69 1.69 2zicA1 LYS 362 HD3 0.02 -0.04 0.01 -0.04 1.68 1.63 2zicA1 LYS 362 HE2 -0.01 0.00 0.01 -0.04 2.99 2.95 2zicA1 LYS 362 HE3 -0.01 0.04 0.01 -0.04 2.99 2.99 2zicA1 ASP 363 H 0.10 0.11 0.11 -0.55 8.40 8.17 2zicA1 ASP 363 HA 0.01 0.24 0.64 -0.75 4.63 4.76 2zicA1 ASP 363 HB2 -0.02 -0.12 0.15 -0.04 2.71 2.68 2zicA1 ASP 363 HB3 0.00 0.17 -0.07 -0.04 2.70 2.76 2zicA1 LEU 364 H -0.05 0.19 0.12 -0.55 8.37 8.08 2zicA1 LEU 364 HA -0.09 0.10 0.38 -0.75 4.35 3.98 2zicA1 LEU 364 HB2 -0.09 -0.00 0.08 -0.04 1.64 1.58 2zicA1 LEU 364 HB3 -0.10 0.06 -0.02 -0.04 1.64 1.54 2zicA1 LEU 364 HG -0.10 -0.03 0.04 -0.04 1.64 1.50 2zicA1 LEU 364 HD13 -0.17 0.02 -0.03 -0.04 0.93 0.71 2zicA1 LEU 364 HD23 -0.11 0.01 -0.09 -0.04 0.89 0.66 2zicA1 ASN 365 H -0.04 0.04 -0.13 -0.55 8.53 7.86 2zicA1 ASN 365 HA -0.04 0.12 0.36 -0.75 4.76 4.44 2zicA1 ASN 365 HB2 -0.03 -0.03 0.08 -0.04 2.88 2.86 2zicA1 ASN 365 HB3 -0.01 -0.05 0.01 -0.04 2.79 2.70 2zicA1 ASN 365 HD21 -0.00 0.02 -0.07 -0.04 7.03 6.94 2zicA1 ASN 365 HD22 -0.00 -0.04 -0.13 -0.04 7.74 7.53 2zicA1 GLU 366 H -0.00 -0.02 -0.38 -0.55 8.60 7.65 2zicA1 GLU 366 HA -0.00 0.11 0.38 -0.75 4.29 4.02 2zicA1 GLU 366 HB2 0.07 -0.09 0.08 -0.04 2.09 2.11 2zicA1 GLU 366 HB3 0.13 0.07 0.06 -0.04 1.99 2.20 2zicA1 GLU 366 HG2 0.32 0.03 -0.05 -0.04 2.34 2.60 2zicA1 GLU 366 HG3 0.06 0.06 0.09 -0.04 2.34 2.51 2zicA1 LEU 367 H -0.12 0.22 -0.50 -0.55 8.37 7.43 2zicA1 LEU 367 HA -0.48 0.03 0.51 -0.75 4.35 3.66 2zicA1 LEU 367 HB2 -0.17 0.20 0.02 -0.04 1.64 1.65 2zicA1 LEU 367 HB3 -0.26 -0.24 0.07 -0.04 1.64 1.16 2zicA1 LEU 367 HG -0.22 0.14 -0.02 -0.04 1.64 1.50 2zicA1 LEU 367 HD13 -0.15 -0.03 -0.10 -0.04 0.93 0.61 2zicA1 LEU 367 HD23 -0.91 -0.01 -0.10 -0.04 0.89 -0.17 2zicA1 ASP 368 H -0.19 -0.20 0.19 -0.55 8.40 7.65 2zicA1 ASP 368 HA -0.01 0.30 0.86 -0.75 4.63 5.03 2zicA1 ASP 368 HB2 0.01 0.22 -0.08 -0.04 2.71 2.82 2zicA1 ASP 368 HB3 -0.01 -0.08 0.05 -0.04 2.70 2.62 2zicA1 ASP 369 H -0.07 -0.07 0.16 -0.55 8.40 7.87 2zicA1 ASP 369 HA 0.03 0.13 0.45 -0.75 4.63 4.49 2zicA1 ASP 369 HB2 0.01 0.13 0.10 -0.04 2.71 2.92 2zicA1 ASP 369 HB3 -0.03 -0.09 0.21 -0.04 2.70 2.75 2zicA1 ILE 370 H -0.06 0.27 0.26 -0.55 8.25 8.17 2zicA1 ILE 370 HA -0.07 0.11 0.37 -0.75 4.18 3.83 2zicA1 ILE 370 HB -0.07 0.19 0.23 -0.04 1.89 2.20 2zicA1 ILE 370 HG12 -0.15 0.02 -0.14 -0.04 1.49 1.17 2zicA1 ILE 370 HG13 -0.05 0.03 0.08 -0.04 1.21 1.23 2zicA1 ILE 370 HG23 -0.43 -0.02 0.05 -0.04 0.93 0.49 2zicA1 ILE 370 HD13 0.01 -0.01 -0.01 -0.04 0.88 0.83 2zicA1 GLU 371 H -0.27 0.04 -0.26 -0.55 8.60 7.57 2zicA1 GLU 371 HA -0.14 0.16 0.41 -0.75 4.29 3.97 2zicA1 GLU 371 HB2 -0.32 0.01 0.07 -0.04 2.09 1.80 2zicA1 GLU 371 HB3 0.03 -0.10 0.07 -0.04 1.99 1.95 2zicA1 GLU 371 HG2 0.51 -0.01 -0.23 -0.04 2.34 2.57 2zicA1 GLU 371 HG3 0.35 0.09 0.03 -0.04 2.34 2.77 2zicA1 SER 372 H 0.04 0.09 -0.11 -0.55 8.46 7.94 2zicA1 SER 372 HA -0.00 0.10 0.46 -0.75 4.49 4.29 2zicA1 SER 372 HB2 -0.03 0.06 0.13 -0.04 3.95 4.06 2zicA1 SER 372 HB3 -0.05 0.05 -0.01 -0.04 3.93 3.87 2zicA1 LEU 373 H -0.05 0.49 -0.16 -0.55 8.37 8.11 2zicA1 LEU 373 HA -0.10 0.01 0.38 -0.75 4.35 3.89 2zicA1 LEU 373 HB2 -0.05 0.04 0.02 -0.04 1.64 1.60 2zicA1 LEU 373 HB3 -0.06 -0.00 -0.05 -0.04 1.64 1.48 2zicA1 LEU 373 HG -0.07 -0.01 -0.24 -0.04 1.64 1.28 2zicA1 LEU 373 HD13 -0.04 0.03 -0.23 -0.04 0.93 0.64 2zicA1 LEU 373 HD23 -0.09 0.03 -0.11 -0.04 0.89 0.68 2zicA1 ASN 374 H -0.03 0.60 -0.17 -0.55 8.53 8.39 2zicA1 ASN 374 HA -0.02 0.01 0.45 -0.75 4.76 4.45 2zicA1 ASN 374 HB2 0.06 0.06 0.19 -0.04 2.88 3.15 2zicA1 ASN 374 HB3 0.07 0.05 0.02 -0.04 2.79 2.89 2zicA1 ASN 374 HD21 0.06 -0.18 -0.01 -0.04 7.03 6.86 2zicA1 ASN 374 HD22 0.13 0.49 0.10 -0.04 7.74 8.42 2zicA1 TYR 375 H 0.04 0.47 -0.18 -0.55 8.29 8.06 2zicA1 TYR 375 HA -0.16 0.02 0.38 -0.75 4.56 4.05 2zicA1 TYR 375 HB2 -0.38 0.01 0.09 -0.04 3.06 2.74 2zicA1 TYR 375 HB3 -0.71 0.07 0.20 -0.04 2.98 2.50 2zicA1 TYR 375 HD2 -0.80 0.01 -0.02 -0.04 7.15 6.30 2zicA1 TYR 375 HE2 -0.29 0.03 -0.03 -0.04 6.85 6.53 2zicA1 ALA 376 H -0.25 0.64 -0.14 -0.55 8.40 8.10 2zicA1 ALA 376 HA -0.60 -0.02 0.37 -0.75 4.34 3.34 2zicA1 ALA 376 HB3 -0.21 0.01 0.06 -0.04 1.41 1.23 2zicA1 LYS 377 H -0.15 0.53 -0.16 -0.55 8.42 8.08 2zicA1 LYS 377 HA -0.08 -0.02 0.36 -0.75 4.32 3.83 2zicA1 LYS 377 HB2 -0.07 0.01 0.11 -0.04 1.87 1.89 2zicA1 LYS 377 HB3 -0.05 0.10 0.12 -0.04 1.79 1.92 2zicA1 LYS 377 HG2 -0.01 0.02 -0.19 -0.04 1.46 1.23 2zicA1 LYS 377 HG3 -0.03 -0.04 0.04 -0.04 1.46 1.38 2zicA1 LYS 377 HD2 -0.03 -0.02 -0.01 -0.04 1.69 1.59 2zicA1 LYS 377 HD3 -0.01 0.01 -0.03 -0.04 1.68 1.61 2zicA1 LYS 377 HE2 0.00 0.01 -0.03 -0.04 2.99 2.93 2zicA1 LYS 377 HE3 -0.01 -0.02 -0.01 -0.04 2.99 2.91 2zicA1 GLU 378 H -0.12 0.45 -0.23 -0.55 8.60 8.16 2zicA1 GLU 378 HA -0.03 0.04 0.45 -0.75 4.29 3.99 2zicA1 GLU 378 HB2 -0.01 -0.01 0.09 -0.04 2.09 2.11 2zicA1 GLU 378 HB3 -0.07 0.10 0.17 -0.04 1.99 2.14 2zicA1 GLU 378 HG2 0.03 -0.04 -0.03 -0.04 2.34 2.26 2zicA1 GLU 378 HG3 -0.02 0.02 -0.27 -0.04 2.34 2.03 2zicA1 ALA 379 H -0.36 0.71 0.02 -0.55 8.40 8.23 2zicA1 ALA 379 HA -0.13 0.03 0.36 -0.75 4.34 3.85 2zicA1 ALA 379 HB3 -0.60 -0.01 0.05 -0.04 1.41 0.81 2zicA1 PHE 380 H -0.02 0.57 -0.25 -0.55 8.34 8.09 2zicA1 PHE 380 HA -0.11 0.24 0.40 -0.75 4.62 4.40 2zicA1 PHE 380 HB2 -0.14 0.04 0.09 -0.04 3.15 3.10 2zicA1 PHE 380 HB3 -0.10 0.11 0.04 -0.04 3.06 3.07 2zicA1 PHE 380 HD2 -0.06 0.04 -0.05 -0.04 7.28 7.16 2zicA1 PHE 380 HE2 -0.03 -0.10 0.04 -0.04 7.38 7.25 2zicA1 PHE 380 HZ -0.03 -0.02 0.03 -0.04 7.32 7.26 2zicA1 THR 381 H -0.01 0.42 -0.37 -0.55 8.28 7.76 2zicA1 THR 381 HA -0.18 0.13 0.89 -0.75 4.39 4.47 2zicA1 THR 381 HB -0.03 -0.06 0.21 -0.04 4.32 4.40 2zicA1 THR 381 HG23 0.06 -0.01 -0.02 -0.04 1.22 1.21 2zicA1 ASN 382 H -0.09 0.47 -0.36 -0.55 8.53 8.00 2zicA1 ASN 382 HA -0.05 0.17 0.87 -0.75 4.76 5.00 2zicA1 ASN 382 HB2 -0.04 0.04 0.10 -0.04 2.88 2.94 2zicA1 ASN 382 HB3 -0.01 -0.06 0.21 -0.04 2.79 2.89 2zicA1 ASN 382 HD21 -0.01 -0.11 -0.07 -0.04 7.03 6.80 2zicA1 ASN 382 HD22 -0.03 0.81 -0.02 -0.04 7.74 8.45 2zicA1 GLY 383 H -0.12 0.16 -0.15 -0.55 8.43 7.78 2zicA1 GLY 383 HA2 -0.08 -0.02 0.28 -0.51 4.01 3.68 2zicA1 GLY 383 HA3 -0.04 0.15 0.59 -0.51 4.01 4.20 2zicA1 LYS 384 H -0.09 0.41 -0.16 -0.55 8.42 8.03 2zicA1 LYS 384 HA -0.01 0.11 0.89 -0.75 4.32 4.55 2zicA1 LYS 384 HB2 -0.07 0.13 -0.10 -0.04 1.87 1.79 2zicA1 LYS 384 HB3 -0.02 -0.02 -0.18 -0.04 1.79 1.52 2zicA1 LYS 384 HG2 0.05 -0.03 -0.09 -0.04 1.46 1.35 2zicA1 LYS 384 HG3 0.05 -0.03 -0.07 -0.04 1.46 1.37 2zicA1 LYS 384 HD2 0.01 0.04 -0.41 -0.04 1.69 1.29 2zicA1 LYS 384 HD3 -0.00 0.12 -0.18 -0.04 1.68 1.58 2zicA1 LYS 384 HE2 0.05 0.05 -0.05 -0.04 2.99 3.00 2zicA1 LYS 384 HE3 0.10 -0.04 -0.06 -0.04 2.99 2.96 2zicA1 SER 385 H 0.01 0.13 0.16 -0.55 8.46 8.21 2zicA1 SER 385 HA 0.03 0.19 0.51 -0.75 4.49 4.48 2zicA1 SER 385 HB2 0.05 -0.02 0.17 -0.04 3.95 4.11 2zicA1 SER 385 HB3 0.01 0.16 0.14 -0.04 3.93 4.20 2zicA1 MET 386 H 0.21 0.21 0.20 -0.55 8.47 8.54 2zicA1 MET 386 HA 0.07 0.13 0.42 -0.75 4.52 4.39 2zicA1 MET 386 HB2 0.05 0.08 0.17 -0.04 2.15 2.40 2zicA1 MET 386 HB3 0.05 -0.01 0.14 -0.04 2.03 2.18 2zicA1 MET 386 HG2 -0.08 0.03 0.04 -0.04 2.63 2.58 2zicA1 MET 386 HG3 -0.02 0.02 -0.11 -0.04 2.56 2.41 2zicA1 MET 386 HE3 -0.40 0.03 0.01 -0.04 2.10 1.71 2zicA1 GLU 387 H 0.06 0.09 -0.11 -0.55 8.60 8.10 2zicA1 GLU 387 HA 0.04 0.13 0.39 -0.75 4.29 4.11 2zicA1 GLU 387 HB2 0.04 0.01 0.10 -0.04 2.09 2.20 2zicA1 GLU 387 HB3 0.05 -0.02 0.03 -0.04 1.99 2.01 2zicA1 GLU 387 HG2 0.04 0.03 -0.02 -0.04 2.34 2.35 2zicA1 GLU 387 HG3 0.05 0.03 -0.13 -0.04 2.34 2.25 2zicA1 THR 388 H 0.06 0.03 -0.32 -0.55 8.28 7.51 2zicA1 THR 388 HA 0.09 0.11 0.41 -0.75 4.39 4.25 2zicA1 THR 388 HB 0.06 0.06 0.10 -0.04 4.32 4.49 2zicA1 THR 388 HG23 0.10 0.03 -0.08 -0.04 1.22 1.23 2zicA1 ILE 389 H 0.05 0.46 -0.29 -0.55 8.25 7.92 2zicA1 ILE 389 HA 0.12 0.05 0.39 -0.75 4.18 3.98 2zicA1 ILE 389 HB -0.02 0.09 0.16 -0.04 1.89 2.08 2zicA1 ILE 389 HG12 -0.25 -0.04 -0.09 -0.04 1.49 1.07 2zicA1 ILE 389 HG13 -0.01 0.16 -0.16 -0.04 1.21 1.16 2zicA1 ILE 389 HG23 -0.18 -0.03 -0.14 -0.04 0.93 0.54 2zicA1 ILE 389 HD13 -0.04 -0.02 -0.17 -0.04 0.88 0.61 2zicA1 MET 390 H 0.04 0.75 -0.00 -0.55 8.47 8.71 2zicA1 MET 390 HA 0.05 -0.05 0.34 -0.75 4.52 4.10 2zicA1 MET 390 HB2 0.05 0.05 0.11 -0.04 2.15 2.31 2zicA1 MET 390 HB3 0.06 0.09 -0.05 -0.04 2.03 2.09 2zicA1 MET 390 HG2 0.00 0.08 0.01 -0.04 2.63 2.68 2zicA1 MET 390 HG3 0.02 0.13 -0.07 -0.04 2.56 2.60 2zicA1 MET 390 HE3 0.08 0.06 -0.45 -0.04 2.10 1.74 2zicA1 ASP 391 H 0.10 0.40 -0.45 -0.55 8.40 7.90 2zicA1 ASP 391 HA 0.09 0.04 0.43 -0.75 4.63 4.43 2zicA1 ASP 391 HB2 0.10 0.01 0.11 -0.04 2.71 2.89 2zicA1 ASP 391 HB3 0.16 0.13 0.16 -0.04 2.70 3.11 2zicA1 SER 392 H 0.20 0.43 -0.11 -0.55 8.46 8.43 2zicA1 SER 392 HA 0.27 0.11 0.51 -0.75 4.49 4.63 2zicA1 SER 392 HB2 0.31 0.03 0.19 -0.04 3.95 4.44 2zicA1 SER 392 HB3 0.50 -0.06 0.10 -0.04 3.93 4.44 2zicA1 ILE 393 H 0.16 0.56 -0.11 -0.55 8.25 8.31 2zicA1 ILE 393 HA 0.37 -0.10 0.47 -0.75 4.18 4.17 2zicA1 ILE 393 HB 0.07 0.14 0.09 -0.04 1.89 2.16 2zicA1 ILE 393 HG12 -0.02 -0.13 0.03 -0.04 1.49 1.33 2zicA1 ILE 393 HG13 0.01 0.17 0.04 -0.04 1.21 1.38 2zicA1 ILE 393 HG23 0.01 -0.04 -0.10 -0.04 0.93 0.75 2zicA1 ILE 393 HD13 -0.09 -0.01 -0.11 -0.04 0.88 0.63 2zicA1 ARG 394 H 0.11 0.57 -0.21 -0.55 8.46 8.37 2zicA1 ARG 394 HA 0.21 -0.01 0.45 -0.75 4.34 4.23 2zicA1 ARG 394 HB2 0.05 0.12 0.13 -0.04 1.90 2.17 2zicA1 ARG 394 HB3 0.03 -0.05 0.03 -0.04 1.80 1.77 2zicA1 ARG 394 HG2 0.20 -0.17 0.15 -0.04 1.67 1.80 2zicA1 ARG 394 HG3 0.13 0.19 0.08 -0.04 1.67 2.04 2zicA1 ARG 394 HD2 0.01 -0.08 -0.02 -0.04 3.22 3.09 2zicA1 ARG 394 HD3 0.05 0.17 -0.11 -0.04 3.22 3.30 2zicA1 MET 395 H -0.04 0.23 -0.52 -0.55 8.47 7.59 2zicA1 MET 395 HA -0.14 0.12 0.83 -0.75 4.52 4.57 2zicA1 MET 395 HB2 -0.57 0.09 0.17 -0.04 2.15 1.80 2zicA1 MET 395 HB3 -0.59 0.03 -0.04 -0.04 2.03 1.39 2zicA1 MET 395 HG2 -0.23 -0.07 -0.09 -0.04 2.63 2.20 2zicA1 MET 395 HG3 -0.75 -0.02 -0.02 -0.04 2.56 1.73 2zicA1 MET 395 HE3 -0.06 0.02 0.01 -0.04 2.10 2.03 2zicA1 ILE 396 H 0.01 0.52 0.17 -0.55 8.25 8.40 2zicA1 ILE 396 HA -0.14 0.22 0.90 -0.75 4.18 4.41 2zicA1 ILE 396 HB -0.09 -0.05 -0.03 -0.04 1.89 1.68 2zicA1 ILE 396 HG12 -0.14 -0.03 -0.05 -0.04 1.49 1.22 2zicA1 ILE 396 HG13 -0.03 0.18 -0.01 -0.04 1.21 1.31 2zicA1 ILE 396 HG23 -0.48 -0.04 -0.12 -0.04 0.93 0.26 2zicA1 ILE 396 HD13 -0.11 0.05 -0.11 -0.04 0.88 0.67 2zicA1 GLY 397 H 0.16 0.36 0.17 -0.55 8.43 8.58 2zicA1 GLY 397 HA2 0.25 -0.11 0.39 -0.51 4.01 4.03 2zicA1 GLY 397 HA3 0.13 0.03 0.38 -0.51 4.01 4.04 2zicA1 ARG 398 H 0.04 0.03 0.17 -0.55 8.46 8.15 2zicA1 ARG 398 HA -0.07 0.23 0.17 -0.75 4.34 3.92 2zicA1 ARG 398 HB2 -0.01 -0.18 0.10 -0.04 1.90 1.77 2zicA1 ARG 398 HB3 -0.06 0.18 0.16 -0.04 1.80 2.04 2zicA1 ARG 398 HG2 -0.09 0.40 0.08 -0.04 1.67 2.02 2zicA1 ARG 398 HG3 -0.02 -0.10 0.11 -0.04 1.67 1.62 2zicA1 ARG 398 HD2 -0.08 -0.02 0.09 -0.04 3.22 3.17 2zicA1 ARG 398 HD3 -0.03 0.05 0.05 -0.04 3.22 3.24 2zicA1 ASP 399 H -0.04 -0.01 -0.32 -0.55 8.40 7.48 2zicA1 ASP 399 HA -0.03 0.10 0.37 -0.75 4.63 4.32 2zicA1 ASP 399 HB2 -0.40 0.03 0.01 -0.04 2.71 2.31 2zicA1 ASP 399 HB3 -0.22 0.14 0.01 -0.04 2.70 2.59 2zicA1 ASN 400 H 0.09 0.50 -0.53 -0.55 8.53 8.04 2zicA1 ASN 400 HA 0.23 -0.01 0.44 -0.75 4.76 4.67 2zicA1 ASN 400 HB2 0.03 0.22 -0.08 -0.04 2.88 3.01 2zicA1 ASN 400 HB3 0.03 -0.13 0.06 -0.04 2.79 2.72 2zicA1 ASN 400 HD21 0.17 0.19 0.05 -0.04 7.03 7.40 2zicA1 ASN 400 HD22 0.08 0.29 -0.16 -0.04 7.74 7.91 2zicA1 ALA 401 H -0.02 0.40 -0.40 -0.55 8.40 7.83 2zicA1 ALA 401 HA 0.06 0.12 0.64 -0.75 4.34 4.41 2zicA1 ALA 401 HB3 -0.16 0.10 0.05 -0.04 1.41 1.35 2zicA1 ARG 402 H -0.01 0.29 -0.47 -0.55 8.46 7.72 2zicA1 ARG 402 HA 0.04 0.19 0.87 -0.75 4.34 4.69 2zicA1 ARG 402 HB2 -0.02 -0.01 0.05 -0.04 1.90 1.88 2zicA1 ARG 402 HB3 0.36 -0.09 0.08 -0.04 1.80 2.12 2zicA1 ARG 402 HG2 -0.69 -0.03 -0.14 -0.04 1.67 0.77 2zicA1 ARG 402 HG3 -0.13 0.17 -0.14 -0.04 1.67 1.53 2zicA1 ARG 402 HD2 0.09 -0.16 -0.18 -0.04 3.22 2.92 2zicA1 ARG 402 HD3 0.33 -0.07 -0.07 -0.04 3.22 3.37 2zicA1 THR 403 H -0.05 0.15 -0.25 -0.55 8.28 7.59 2zicA1 THR 403 HA -0.32 0.07 0.45 -0.75 4.39 3.84 2zicA1 THR 403 HB -0.22 0.17 0.10 -0.04 4.32 4.32 2zicA1 THR 403 HG23 -0.21 -0.03 -0.01 -0.04 1.22 0.94 2zicA1 PRO 404 HA -0.46 0.09 0.43 -0.51 4.44 4.00 2zicA1 PRO 404 HB2 -0.42 -0.05 -0.02 -0.04 2.28 1.75 2zicA1 PRO 404 HB3 -1.70 -0.00 0.03 -0.04 2.02 0.30 2zicA1 PRO 404 HG2 -0.39 -0.03 0.02 -0.04 2.03 1.60 2zicA1 PRO 404 HG3 -0.68 -0.01 0.08 -0.04 2.03 1.38 2zicA1 PRO 404 HD2 -0.30 0.04 -0.18 -0.04 3.68 3.21 2zicA1 PRO 404 HD3 -0.43 0.12 0.00 -0.04 3.65 3.30 2zicA1 MET 405 H -0.15 0.60 0.31 -0.55 8.47 8.68 2zicA1 MET 405 HA -0.29 -0.03 0.43 -0.75 4.52 3.88 2zicA1 MET 405 HB2 -0.14 0.01 0.24 -0.04 2.15 2.22 2zicA1 MET 405 HB3 -0.17 0.21 0.26 -0.04 2.03 2.29 2zicA1 MET 405 HG2 -1.23 -0.03 -0.01 -0.04 2.63 1.31 2zicA1 MET 405 HG3 -1.89 -0.03 -0.24 -0.04 2.56 0.36 2zicA1 MET 405 HE3 -0.52 -0.04 -0.02 -0.04 2.10 1.49 2zicA1 GLN 406 H -0.38 0.08 0.16 -0.55 8.47 7.79 2zicA1 GLN 406 HA -0.16 0.17 0.88 -0.75 4.36 4.50 2zicA1 GLN 406 HB2 -0.13 -0.06 0.26 -0.04 2.15 2.18 2zicA1 GLN 406 HB3 -0.01 0.10 0.23 -0.04 2.02 2.30 2zicA1 GLN 406 HG2 -0.07 -0.03 -0.02 -0.04 2.40 2.23 2zicA1 GLN 406 HG3 -0.14 0.12 0.05 -0.04 2.39 2.37 2zicA1 GLN 406 HE21 0.00 -0.14 -0.09 -0.04 6.97 6.70 2zicA1 GLN 406 HE22 0.01 0.61 0.21 -0.04 7.69 8.47 2zicA1 TRP 407 H 0.03 0.56 0.27 -0.55 7.97 8.29 2zicA1 TRP 407 HA -0.14 -0.07 0.71 -0.75 4.62 4.36 2zicA1 TRP 407 HB2 -0.08 0.15 0.14 -0.04 3.23 3.39 2zicA1 TRP 407 HB3 -0.14 -0.08 0.01 -0.04 3.23 2.98 2zicA1 TRP 407 HD1 -0.01 0.07 -0.17 -0.04 7.22 7.07 2zicA1 TRP 407 HE1 -0.19 0.57 0.20 -0.04 10.20 10.74 2zicA1 TRP 407 HE3 -0.41 -0.07 0.02 -0.04 7.59 7.09 2zicA1 TRP 407 HZ2 -1.87 -0.03 -0.10 -0.04 7.44 5.41 2zicA1 TRP 407 HZ3 -1.19 -0.01 -0.03 -0.04 7.13 5.86 2zicA1 TRP 407 HH2 -0.20 -0.01 -0.05 -0.04 7.19 6.89 2zicA1 ASP 408 H 0.14 0.54 0.03 -0.55 8.40 8.56 2zicA1 ASP 408 HA 0.08 0.04 0.42 -0.75 4.63 4.41 2zicA1 ASP 408 HB2 0.07 -0.13 0.15 -0.04 2.71 2.76 2zicA1 ASP 408 HB3 0.08 0.13 -0.07 -0.04 2.70 2.79 2zicA1 ALA 409 H 0.09 0.13 0.05 -0.55 8.40 8.12 2zicA1 ALA 409 HA 0.36 0.27 0.75 -0.75 4.34 4.96 2zicA1 ALA 409 HB3 0.07 0.03 0.08 -0.04 1.41 1.54 2zicA1 SER 410 H 0.09 -0.02 -0.36 -0.55 8.46 7.63 2zicA1 SER 410 HA 0.07 0.18 0.54 -0.75 4.49 4.53 2zicA1 SER 410 HB2 0.03 -0.02 0.12 -0.04 3.95 4.04 2zicA1 SER 410 HB3 0.04 0.01 0.01 -0.04 3.93 3.95 2zicA1 GLN 411 H 0.03 0.13 0.09 -0.55 8.47 8.17 2zicA1 GLN 411 HA 0.03 0.04 0.37 -0.75 4.36 4.04 2zicA1 GLN 411 HB2 0.02 0.01 0.11 -0.04 2.15 2.26 2zicA1 GLN 411 HB3 0.01 -0.01 0.11 -0.04 2.02 2.09 2zicA1 GLN 411 HG2 0.01 0.06 -0.39 -0.04 2.40 2.04 2zicA1 GLN 411 HG3 0.02 -0.02 -0.02 -0.04 2.39 2.33 2zicA1 GLN 411 HE21 0.01 0.02 -0.20 -0.04 6.97 6.76 2zicA1 GLN 411 HE22 0.02 -0.01 -0.10 -0.04 7.69 7.57 2zicA1 ASN 412 H -0.09 0.15 0.16 -0.55 8.53 8.22 2zicA1 ASN 412 HA -0.19 0.05 0.33 -0.75 4.76 4.19 2zicA1 ASN 412 HB2 0.06 0.14 0.05 -0.04 2.88 3.08 2zicA1 ASN 412 HB3 0.12 -0.03 0.14 -0.04 2.79 2.97 2zicA1 ASN 412 HD21 0.04 0.46 -0.30 -0.04 7.03 7.19 2zicA1 ASN 412 HD22 0.04 0.18 -0.43 -0.04 7.74 7.49 2zicA1 ALA 413 H -0.58 0.31 -0.20 -0.55 8.40 7.38 2zicA1 ALA 413 HA -0.15 0.28 0.20 -0.75 4.34 3.91 2zicA1 ALA 413 HB3 -0.29 0.01 0.05 -0.04 1.41 1.14 2zicA1 GLY 414 H 0.00 0.51 -0.78 -0.55 8.43 7.62 2zicA1 GLY 414 HA2 0.03 0.02 0.15 -0.51 4.01 3.71 2zicA1 GLY 414 HA3 0.10 -0.05 0.35 -0.51 4.01 3.90 2zicA1 PHE 415 H 0.23 0.67 -0.28 -0.55 8.34 8.40 2zicA1 PHE 415 HA 0.22 0.09 0.55 -0.75 4.62 4.72 2zicA1 PHE 415 HB2 0.13 0.27 0.08 -0.04 3.15 3.59 2zicA1 PHE 415 HB3 0.03 0.15 0.14 -0.04 3.06 3.34 2zicA1 PHE 415 HD2 0.15 0.15 -0.20 -0.04 7.28 7.34 2zicA1 PHE 415 HE2 0.23 -0.07 -0.46 -0.04 7.38 7.04 2zicA1 PHE 415 HZ 0.30 0.08 -0.10 -0.04 7.32 7.56 2zicA1 SER 416 H 0.07 0.34 -0.03 -0.55 8.46 8.29 2zicA1 SER 416 HA -0.20 0.19 0.52 -0.75 4.49 4.24 2zicA1 SER 416 HB2 -0.49 0.10 -0.23 -0.04 3.95 3.29 2zicA1 SER 416 HB3 0.09 0.11 -0.18 -0.04 3.93 3.91 2zicA1 THR 417 H -0.06 -0.01 0.09 -0.55 8.28 7.75 2zicA1 THR 417 HA -0.01 0.24 0.75 -0.75 4.39 4.62 2zicA1 THR 417 HB -0.02 0.04 0.08 -0.04 4.32 4.38 2zicA1 THR 417 HG23 -0.05 0.01 -0.12 -0.04 1.22 1.03 2zicA1 ALA 418 H -0.00 -0.15 -0.13 -0.55 8.40 7.57 2zicA1 ALA 418 HA 0.01 0.12 0.45 -0.75 4.34 4.17 2zicA1 ALA 418 HB3 0.03 0.01 -0.10 -0.04 1.41 1.31 2zicA1 ASP 419 H 0.02 0.12 0.13 -0.55 8.40 8.13 2zicA1 ASP 419 HA 0.02 0.06 0.35 -0.75 4.63 4.31 2zicA1 ASP 419 HB2 0.02 -0.04 0.14 -0.04 2.71 2.79 2zicA1 ASP 419 HB3 0.02 0.02 -0.02 -0.04 2.70 2.68 2zicA1 LYS 420 H 0.05 0.11 -0.18 -0.55 8.42 7.84 2zicA1 LYS 420 HA 0.04 0.18 0.78 -0.75 4.32 4.57 2zicA1 LYS 420 HB2 0.05 -0.04 -0.10 -0.04 1.87 1.74 2zicA1 LYS 420 HB3 0.04 0.13 -0.04 -0.04 1.79 1.88 2zicA1 LYS 420 HG2 0.03 0.06 -0.07 -0.04 1.46 1.43 2zicA1 LYS 420 HG3 0.03 -0.11 -0.46 -0.04 1.46 0.87 2zicA1 LYS 420 HD2 0.02 -0.02 -0.08 -0.04 1.69 1.58 2zicA1 LYS 420 HD3 0.03 -0.03 -0.09 -0.04 1.68 1.55 2zicA1 LYS 420 HE2 0.03 0.10 -0.08 -0.04 2.99 2.99 2zicA1 LYS 420 HE3 0.02 -0.01 -0.04 -0.04 2.99 2.92 2zicA1 THR 421 H 0.05 0.14 0.06 -0.55 8.28 7.98 2zicA1 THR 421 HA 0.25 0.06 0.82 -0.75 4.39 4.76 2zicA1 THR 421 HB 0.14 0.07 0.12 -0.04 4.32 4.61 2zicA1 THR 421 HG23 0.28 -0.03 -0.11 -0.04 1.22 1.32 2zicA1 TRP 422 H 0.54 0.67 0.29 -0.55 7.97 8.92 2zicA1 TRP 422 HA 0.04 0.01 0.30 -0.75 4.62 4.22 2zicA1 TRP 422 HB2 0.05 -0.06 0.07 -0.04 3.23 3.26 2zicA1 TRP 422 HB3 0.09 0.04 0.09 -0.04 3.23 3.40 2zicA1 TRP 422 HD1 0.19 0.15 0.27 -0.04 7.22 7.79 2zicA1 TRP 422 HE1 0.11 0.02 -0.25 -0.04 10.20 10.04 2zicA1 TRP 422 HE3 0.05 0.01 -0.09 -0.04 7.59 7.53 2zicA1 TRP 422 HZ2 0.39 0.03 -0.07 -0.04 7.44 7.74 2zicA1 TRP 422 HZ3 0.08 -0.07 -0.07 -0.04 7.13 7.03 2zicA1 TRP 422 HH2 0.26 -0.08 -0.06 -0.04 7.19 7.27 2zicA1 LEU 423 H -0.62 0.18 -0.17 -0.55 8.37 7.21 2zicA1 LEU 423 HA -0.47 0.21 0.74 -0.75 4.35 4.08 2zicA1 LEU 423 HB2 -1.56 -0.00 0.01 -0.04 1.64 0.05 2zicA1 LEU 423 HB3 -0.65 0.06 -0.08 -0.04 1.64 0.93 2zicA1 LEU 423 HG -1.94 -0.04 -0.19 -0.04 1.64 -0.58 2zicA1 LEU 423 HD13 -0.71 0.01 -0.12 -0.04 0.93 0.07 2zicA1 LEU 423 HD23 -0.35 -0.01 0.06 -0.04 0.89 0.56 2zicA1 PRO 424 HA -0.16 -0.04 0.48 -0.51 4.44 4.22 2zicA1 PRO 424 HB2 -0.19 0.08 -0.08 -0.04 2.28 2.05 2zicA1 PRO 424 HB3 -0.12 0.00 0.08 -0.04 2.02 1.94 2zicA1 PRO 424 HG2 -1.17 0.00 0.00 -0.04 2.03 0.82 2zicA1 PRO 424 HG3 -0.36 -0.01 0.03 -0.04 2.03 1.65 2zicA1 PRO 424 HD2 -0.30 0.09 0.19 -0.04 3.68 3.62 2zicA1 PRO 424 HD3 -0.19 0.19 0.14 -0.04 3.65 3.75 2zicA1 VAL 425 H -0.08 0.05 0.17 -0.55 8.24 7.83 2zicA1 VAL 425 HA -0.14 0.16 0.54 -0.75 4.13 3.94 2zicA1 VAL 425 HB -0.09 -0.08 0.07 -0.04 2.12 1.98 2zicA1 VAL 425 HG13 -0.23 0.03 -0.22 -0.04 0.97 0.51 2zicA1 VAL 425 HG23 -0.13 -0.01 0.02 -0.04 0.95 0.79 2zicA1 ASN 426 H 0.03 0.22 0.12 -0.55 8.53 8.35 2zicA1 ASN 426 HA 0.19 0.13 0.46 -0.75 4.76 4.78 2zicA1 ASN 426 HB2 0.10 0.12 0.11 -0.04 2.88 3.17 2zicA1 ASN 426 HB3 0.04 -0.03 0.13 -0.04 2.79 2.89 2zicA1 ASN 426 HD21 -0.15 0.06 0.10 -0.04 7.03 7.00 2zicA1 ASN 426 HD22 -0.04 0.12 -0.07 -0.04 7.74 7.72 2zicA1 PRO 427 HA 0.14 0.06 0.40 -0.51 4.44 4.53 2zicA1 PRO 427 HB2 -0.09 0.02 0.05 -0.04 2.28 2.23 2zicA1 PRO 427 HB3 -0.04 0.02 0.13 -0.04 2.02 2.09 2zicA1 PRO 427 HG2 -0.09 0.04 0.10 -0.04 2.03 2.05 2zicA1 PRO 427 HG3 0.04 0.06 0.13 -0.04 2.03 2.22 2zicA1 PRO 427 HD2 -0.21 0.08 0.23 -0.04 3.68 3.74 2zicA1 PRO 427 HD3 0.06 0.28 0.30 -0.04 3.65 4.25 2zicA1 ASN 428 H -0.04 0.13 -0.48 -0.55 8.53 7.60 2zicA1 ASN 428 HA -0.11 0.09 0.49 -0.75 4.76 4.47 2zicA1 ASN 428 HB2 -0.07 0.00 0.16 -0.04 2.88 2.93 2zicA1 ASN 428 HB3 -0.08 0.02 0.08 -0.04 2.79 2.77 2zicA1 ASN 428 HD21 -0.05 -0.02 0.03 -0.04 7.03 6.94 2zicA1 ASN 428 HD22 -0.07 0.02 0.03 -0.04 7.74 7.68 2zicA1 TYR 429 H 0.11 0.44 -0.52 -0.55 8.29 7.77 2zicA1 TYR 429 HA -0.05 0.34 0.45 -0.75 4.56 4.54 2zicA1 TYR 429 HB2 -0.03 0.00 0.10 -0.04 3.06 3.09 2zicA1 TYR 429 HB3 -0.04 0.14 0.10 -0.04 2.98 3.14 2zicA1 TYR 429 HD2 -0.01 0.19 -0.20 -0.04 7.15 7.09 2zicA1 TYR 429 HE2 0.01 0.03 -0.10 -0.04 6.85 6.74 2zicA1 LYS 430 H -0.58 0.31 -0.34 -0.55 8.42 7.25 2zicA1 LYS 430 HA -0.31 0.03 0.33 -0.75 4.32 3.61 2zicA1 LYS 430 HB2 -0.21 -0.02 0.04 -0.04 1.87 1.63 2zicA1 LYS 430 HB3 -0.51 0.01 0.10 -0.04 1.79 1.35 2zicA1 LYS 430 HG2 -0.26 0.12 0.12 -0.04 1.46 1.40 2zicA1 LYS 430 HG3 -0.16 0.01 -0.14 -0.04 1.46 1.12 2zicA1 LYS 430 HD2 -0.13 -0.03 -0.02 -0.04 1.69 1.47 2zicA1 LYS 430 HD3 -0.19 0.01 0.04 -0.04 1.68 1.49 2zicA1 LYS 430 HE2 -0.12 0.01 -0.04 -0.04 2.99 2.80 2zicA1 LYS 430 HE3 -0.10 -0.02 -0.03 -0.04 2.99 2.81 2zicA1 ASP 431 H -0.11 0.28 -0.38 -0.55 8.40 7.64 2zicA1 ASP 431 HA -0.04 0.15 0.85 -0.75 4.63 4.83 2zicA1 ASP 431 HB2 -0.06 0.06 0.08 -0.04 2.71 2.75 2zicA1 ASP 431 HB3 -0.04 -0.03 0.01 -0.04 2.70 2.60 2zicA1 ILE 432 H -0.03 0.59 0.12 -0.55 8.25 8.38 2zicA1 ILE 432 HA -0.01 0.13 0.87 -0.75 4.18 4.41 2zicA1 ILE 432 HB -0.02 -0.05 0.06 -0.04 1.89 1.83 2zicA1 ILE 432 HG12 -0.02 0.05 -0.08 -0.04 1.49 1.39 2zicA1 ILE 432 HG13 -0.04 -0.09 -0.09 -0.04 1.21 0.96 2zicA1 ILE 432 HG23 -0.03 0.03 -0.22 -0.04 0.93 0.67 2zicA1 ILE 432 HD13 -0.04 0.02 -0.00 -0.04 0.88 0.82 2zicA1 ASN 433 H -0.00 0.28 0.08 -0.55 8.53 8.34 2zicA1 ASN 433 HA -0.06 0.32 0.52 -0.75 4.76 4.78 2zicA1 ASN 433 HB2 0.04 -0.13 -0.63 -0.04 2.88 2.12 2zicA1 ASN 433 HB3 0.08 0.35 -0.33 -0.04 2.79 2.85 2zicA1 ASN 433 HD21 0.03 -0.02 -0.26 -0.04 7.03 6.74 2zicA1 ASN 433 HD22 0.05 0.56 -0.51 -0.04 7.74 7.80 2zicA1 VAL 434 H -0.14 0.56 0.35 -0.55 8.24 8.47 2zicA1 VAL 434 HA -0.07 -0.01 0.42 -0.75 4.13 3.72 2zicA1 VAL 434 HB 0.04 0.12 0.29 -0.04 2.12 2.53 2zicA1 VAL 434 HG13 -0.24 -0.00 -0.09 -0.04 0.97 0.60 2zicA1 VAL 434 HG23 -0.57 0.05 0.04 -0.04 0.95 0.43 2zicA1 GLN 435 H 0.03 0.69 0.09 -0.55 8.47 8.74 2zicA1 GLN 435 HA 0.00 0.06 0.40 -0.75 4.36 4.07 2zicA1 GLN 435 HB2 0.04 0.09 0.20 -0.04 2.15 2.44 2zicA1 GLN 435 HB3 0.03 -0.08 0.11 -0.04 2.02 2.04 2zicA1 GLN 435 HG2 0.02 0.02 -0.14 -0.04 2.40 2.26 2zicA1 GLN 435 HG3 0.02 0.02 0.04 -0.04 2.39 2.43 2zicA1 GLN 435 HE21 0.02 -0.02 -0.02 -0.04 6.97 6.91 2zicA1 GLN 435 HE22 0.01 0.03 -0.02 -0.04 7.69 7.68 2zicA1 ALA 436 H 0.02 0.14 -0.25 -0.55 8.40 7.76 2zicA1 ALA 436 HA 0.03 0.03 0.44 -0.75 4.34 4.08 2zicA1 ALA 436 HB3 0.02 0.03 0.06 -0.04 1.41 1.47 2zicA1 ALA 437 H 0.01 0.39 -0.23 -0.55 8.40 8.02 2zicA1 ALA 437 HA 0.08 0.00 0.60 -0.75 4.34 4.27 2zicA1 ALA 437 HB3 0.05 -0.01 0.13 -0.04 1.41 1.54 2zicA1 LEU 438 H -0.03 0.63 0.02 -0.55 8.37 8.45 2zicA1 LEU 438 HA -0.07 0.06 0.44 -0.75 4.35 4.03 2zicA1 LEU 438 HB2 -0.02 0.05 0.11 -0.04 1.64 1.74 2zicA1 LEU 438 HB3 -0.01 -0.02 0.01 -0.04 1.64 1.58 2zicA1 LEU 438 HG -0.22 0.09 0.03 -0.04 1.64 1.50 2zicA1 LEU 438 HD13 -0.01 -0.03 -0.05 -0.04 0.93 0.80 2zicA1 LEU 438 HD23 -0.93 -0.00 -0.06 -0.04 0.89 -0.14 2zicA1 LYS 439 H 0.06 0.33 -0.26 -0.55 8.42 7.99 2zicA1 LYS 439 HA 0.07 0.05 0.45 -0.75 4.32 4.14 2zicA1 LYS 439 HB2 0.04 0.01 0.10 -0.04 1.87 1.98 2zicA1 LYS 439 HB3 0.05 0.07 0.11 -0.04 1.79 1.98 2zicA1 LYS 439 HG2 0.04 -0.02 -0.14 -0.04 1.46 1.29 2zicA1 LYS 439 HG3 0.03 -0.03 0.06 -0.04 1.46 1.49 2zicA1 LYS 439 HD2 0.02 -0.02 -0.01 -0.04 1.69 1.64 2zicA1 LYS 439 HD3 0.03 0.01 -0.02 -0.04 1.68 1.66 2zicA1 LYS 439 HE2 0.02 -0.01 -0.01 -0.04 2.99 2.95 2zicA1 LYS 439 HE3 0.02 -0.01 0.00 -0.04 2.99 2.97 2zicA1 ASN 440 H 0.13 0.32 -0.29 -0.55 8.53 8.14 2zicA1 ASN 440 HA 0.06 0.05 0.75 -0.75 4.76 4.86 2zicA1 ASN 440 HB2 0.07 0.02 0.09 -0.04 2.88 3.02 2zicA1 ASN 440 HB3 0.12 0.12 0.25 -0.04 2.79 3.24 2zicA1 ASN 440 HD21 0.08 0.05 -0.22 -0.04 7.03 6.90 2zicA1 ASN 440 HD22 0.08 0.04 0.00 -0.04 7.74 7.82 2zicA1 SER 441 H 0.01 0.20 0.16 -0.55 8.46 8.28 2zicA1 SER 441 HA -0.41 0.15 0.33 -0.75 4.49 3.80 2zicA1 SER 441 HB2 -0.05 -0.07 0.11 -0.04 3.95 3.90 2zicA1 SER 441 HB3 -0.14 0.02 0.04 -0.04 3.93 3.81 2zicA1 ASN 442 H 0.07 0.00 -0.43 -0.55 8.53 7.63 2zicA1 ASN 442 HA 0.10 0.27 0.91 -0.75 4.76 5.29 2zicA1 ASN 442 HB2 0.05 -0.06 0.04 -0.04 2.88 2.87 2zicA1 ASN 442 HB3 0.07 0.00 0.18 -0.04 2.79 3.00 2zicA1 ASN 442 HD21 0.02 0.01 -0.05 -0.04 7.03 6.97 2zicA1 ASN 442 HD22 0.02 -0.04 -0.04 -0.04 7.74 7.64 2zicA1 SER 443 H 0.34 0.54 -0.18 -0.55 8.46 8.61 2zicA1 SER 443 HA 0.14 0.06 0.54 -0.75 4.49 4.48 2zicA1 SER 443 HB2 0.16 -0.15 0.27 -0.04 3.95 4.19 2zicA1 SER 443 HB3 0.20 0.12 0.28 -0.04 3.93 4.49 2zicA1 ILE 444 H 0.13 0.15 0.18 -0.55 8.25 8.16 2zicA1 ILE 444 HA 0.11 0.06 0.37 -0.75 4.18 3.97 2zicA1 ILE 444 HB 0.15 0.02 0.04 -0.04 1.89 2.05 2zicA1 ILE 444 HG12 0.06 0.09 0.07 -0.04 1.49 1.67 2zicA1 ILE 444 HG13 0.08 -0.07 0.12 -0.04 1.21 1.29 2zicA1 ILE 444 HG23 0.26 0.01 -0.23 -0.04 0.93 0.94 2zicA1 ILE 444 HD13 0.04 0.03 -0.22 -0.04 0.88 0.68 2zicA1 PHE 445 H 0.25 0.04 -0.11 -0.55 8.34 7.96 2zicA1 PHE 445 HA 0.07 0.09 0.40 -0.75 4.62 4.42 2zicA1 PHE 445 HB2 -0.03 -0.04 0.03 -0.04 3.15 3.07 2zicA1 PHE 445 HB3 -0.26 0.08 -0.04 -0.04 3.06 2.80 2zicA1 PHE 445 HD2 -0.77 -0.02 -0.19 -0.04 7.28 6.25 2zicA1 PHE 445 HE2 -0.40 0.02 -0.10 -0.04 7.38 6.86 2zicA1 PHE 445 HZ -0.21 0.06 -0.24 -0.04 7.32 6.90 2zicA1 TYR 446 H 0.23 0.24 -0.30 -0.55 8.29 7.91 2zicA1 TYR 446 HA 0.02 0.07 0.52 -0.75 4.56 4.42 2zicA1 TYR 446 HB2 0.13 0.10 0.04 -0.04 3.06 3.29 2zicA1 TYR 446 HB3 0.10 -0.01 0.09 -0.04 2.98 3.12 2zicA1 TYR 446 HD2 0.19 -0.04 0.02 -0.04 7.15 7.27 2zicA1 TYR 446 HE2 0.17 0.09 -0.07 -0.04 6.85 7.00 2zicA1 THR 447 H 0.10 0.37 -0.27 -0.55 8.28 7.94 2zicA1 THR 447 HA 0.02 0.04 0.46 -0.75 4.39 4.16 2zicA1 THR 447 HB -0.06 0.16 0.18 -0.04 4.32 4.57 2zicA1 THR 447 HG23 -0.19 -0.02 -0.14 -0.04 1.22 0.83 2zicA1 TYR 448 H 0.02 0.45 -0.06 -0.55 8.29 8.14 2zicA1 TYR 448 HA -0.19 0.02 0.39 -0.75 4.56 4.02 2zicA1 TYR 448 HB2 -0.24 0.14 0.17 -0.04 3.06 3.09 2zicA1 TYR 448 HB3 -0.17 -0.00 -0.04 -0.04 2.98 2.73 2zicA1 TYR 448 HD2 -0.15 0.12 -0.05 -0.04 7.15 7.03 2zicA1 TYR 448 HE2 0.04 0.02 -0.09 -0.04 6.85 6.79 2zicA1 GLN 449 H -0.24 0.49 -0.09 -0.55 8.47 8.08 2zicA1 GLN 449 HA -0.15 0.26 0.48 -0.75 4.36 4.20 2zicA1 GLN 449 HB2 -0.59 -0.01 0.15 -0.04 2.15 1.65 2zicA1 GLN 449 HB3 -0.02 -0.01 0.17 -0.04 2.02 2.12 2zicA1 GLN 449 HG2 0.03 -0.07 -0.06 -0.04 2.40 2.26 2zicA1 GLN 449 HG3 -0.05 0.28 0.14 -0.04 2.39 2.71 2zicA1 GLN 449 HE21 0.35 -0.15 -0.02 -0.04 6.97 7.11 2zicA1 GLN 449 HE22 0.20 0.55 0.01 -0.04 7.69 8.40 2zicA1 GLN 450 H 0.01 0.53 -0.24 -0.55 8.47 8.22 2zicA1 GLN 450 HA 0.04 0.01 0.49 -0.75 4.36 4.15 2zicA1 GLN 450 HB2 0.03 0.08 0.21 -0.04 2.15 2.43 2zicA1 GLN 450 HB3 0.05 -0.05 0.07 -0.04 2.02 2.05 2zicA1 GLN 450 HG2 0.08 -0.07 0.08 -0.04 2.40 2.44 2zicA1 GLN 450 HG3 0.11 0.16 0.16 -0.04 2.39 2.79 2zicA1 GLN 450 HE21 0.09 -0.07 -0.02 -0.04 6.97 6.92 2zicA1 GLN 450 HE22 0.13 0.00 0.01 -0.04 7.69 7.79 2zicA1 LEU 451 H -0.04 0.57 -0.08 -0.55 8.37 8.28 2zicA1 LEU 451 HA 0.01 -0.01 0.39 -0.75 4.35 3.98 2zicA1 LEU 451 HB2 -0.14 0.06 0.13 -0.04 1.64 1.65 2zicA1 LEU 451 HB3 0.02 0.01 -0.05 -0.04 1.64 1.58 2zicA1 LEU 451 HG -0.09 0.10 -0.01 -0.04 1.64 1.60 2zicA1 LEU 451 HD13 -0.35 -0.02 -0.32 -0.04 0.93 0.19 2zicA1 LEU 451 HD23 0.03 -0.02 -0.11 -0.04 0.89 0.75 2zicA1 ILE 452 H 0.03 0.65 -0.18 -0.55 8.25 8.20 2zicA1 ILE 452 HA 0.09 0.01 0.37 -0.75 4.18 3.90 2zicA1 ILE 452 HB 0.02 0.23 0.19 -0.04 1.89 2.28 2zicA1 ILE 452 HG12 0.16 -0.11 -0.06 -0.04 1.49 1.44 2zicA1 ILE 452 HG13 0.11 0.18 0.05 -0.04 1.21 1.51 2zicA1 ILE 452 HG23 0.05 -0.05 -0.21 -0.04 0.93 0.67 2zicA1 ILE 452 HD13 0.03 -0.04 -0.22 -0.04 0.88 0.61 2zicA1 GLN 453 H 0.02 0.47 -0.15 -0.55 8.47 8.27 2zicA1 GLN 453 HA 0.02 0.05 0.49 -0.75 4.36 4.17 2zicA1 GLN 453 HB2 0.03 0.10 0.16 -0.04 2.15 2.40 2zicA1 GLN 453 HB3 0.04 0.06 0.18 -0.04 2.02 2.25 2zicA1 GLN 453 HG2 0.03 -0.05 -0.11 -0.04 2.40 2.23 2zicA1 GLN 453 HG3 0.03 -0.01 0.07 -0.04 2.39 2.44 2zicA1 GLN 453 HE21 0.05 -0.06 0.01 -0.04 6.97 6.93 2zicA1 GLN 453 HE22 0.04 0.01 0.02 -0.04 7.69 7.72 2zicA1 LEU 454 H 0.01 0.57 -0.15 -0.55 8.37 8.25 2zicA1 LEU 454 HA -0.00 -0.05 0.45 -0.75 4.35 3.99 2zicA1 LEU 454 HB2 -0.02 0.19 0.18 -0.04 1.64 1.96 2zicA1 LEU 454 HB3 -0.08 -0.07 -0.02 -0.04 1.64 1.43 2zicA1 LEU 454 HG 0.05 0.11 0.05 -0.04 1.64 1.81 2zicA1 LEU 454 HD13 0.09 -0.01 -0.11 -0.04 0.93 0.86 2zicA1 LEU 454 HD23 0.11 -0.03 0.02 -0.04 0.89 0.96 2zicA1 ARG 455 H -0.04 0.47 -0.18 -0.55 8.46 8.15 2zicA1 ARG 455 HA -0.21 -0.00 0.49 -0.75 4.34 3.86 2zicA1 ARG 455 HB2 -0.07 0.02 0.10 -0.04 1.90 1.91 2zicA1 ARG 455 HB3 -0.00 0.11 0.14 -0.04 1.80 2.01 2zicA1 ARG 455 HG2 0.00 0.15 -0.29 -0.04 1.67 1.49 2zicA1 ARG 455 HG3 -0.04 -0.06 0.03 -0.04 1.67 1.56 2zicA1 ARG 455 HD2 0.02 -0.11 -0.12 -0.04 3.22 2.97 2zicA1 ARG 455 HD3 0.05 0.05 -0.31 -0.04 3.22 2.97 2zicA1 LYS 456 H -0.01 0.35 -0.15 -0.55 8.42 8.06 2zicA1 LYS 456 HA 0.00 0.09 0.53 -0.75 4.32 4.18 2zicA1 LYS 456 HB2 0.02 0.02 0.18 -0.04 1.87 2.04 2zicA1 LYS 456 HB3 0.02 -0.12 0.07 -0.04 1.79 1.73 2zicA1 LYS 456 HG2 0.05 -0.07 0.08 -0.04 1.46 1.49 2zicA1 LYS 456 HG3 0.03 0.14 0.14 -0.04 1.46 1.73 2zicA1 LYS 456 HD2 0.05 0.04 0.03 -0.04 1.69 1.77 2zicA1 LYS 456 HD3 0.03 -0.05 -0.05 -0.04 1.68 1.56 2zicA1 LYS 456 HE2 0.03 -0.10 0.03 -0.04 2.99 2.91 2zicA1 LYS 456 HE3 0.05 -0.06 0.03 -0.04 2.99 2.97 2zicA1 GLU 457 H -0.02 0.36 -0.26 -0.55 8.60 8.13 2zicA1 GLU 457 HA 0.01 0.15 0.90 -0.75 4.29 4.59 2zicA1 GLU 457 HB2 0.02 0.02 0.05 -0.04 2.09 2.13 2zicA1 GLU 457 HB3 0.03 -0.13 0.12 -0.04 1.99 1.97 2zicA1 GLU 457 HG2 0.02 -0.04 -0.10 -0.04 2.34 2.18 2zicA1 GLU 457 HG3 0.02 0.40 0.12 -0.04 2.34 2.83 2zicA1 ASN 458 H -0.10 0.54 -0.05 -0.55 8.53 8.38 2zicA1 ASN 458 HA 0.03 0.09 1.10 -0.75 4.76 5.24 2zicA1 ASN 458 HB2 -0.37 0.18 0.18 -0.04 2.88 2.84 2zicA1 ASN 458 HB3 0.08 -0.20 0.05 -0.04 2.79 2.68 2zicA1 ASN 458 HD21 0.09 -0.05 -0.02 -0.04 7.03 7.01 2zicA1 ASN 458 HD22 -0.03 0.29 0.17 -0.04 7.74 8.13 2zicA1 ASP 459 H 0.05 0.17 0.13 -0.55 8.40 8.20 2zicA1 ASP 459 HA -0.03 0.21 0.36 -0.75 4.63 4.42 2zicA1 ASP 459 HB2 0.09 -0.05 0.06 -0.04 2.71 2.77 2zicA1 ASP 459 HB3 0.04 0.00 0.09 -0.04 2.70 2.78 2zicA1 TRP 460 H 0.22 0.07 -0.33 -0.55 7.97 7.39 2zicA1 TRP 460 HA 0.06 -0.01 0.34 -0.75 4.62 4.26 2zicA1 TRP 460 HB2 0.12 0.03 -0.06 -0.04 3.23 3.28 2zicA1 TRP 460 HB3 0.12 -0.05 0.00 -0.04 3.23 3.25 2zicA1 TRP 460 HD1 -0.05 -0.07 -0.04 -0.04 7.22 7.02 2zicA1 TRP 460 HE1 -0.35 -0.00 -0.06 -0.04 10.20 9.75 2zicA1 TRP 460 HE3 -0.00 -0.01 -0.39 -0.04 7.59 7.15 2zicA1 TRP 460 HZ2 -0.34 -0.05 -0.10 -0.04 7.44 6.92 2zicA1 TRP 460 HZ3 0.04 0.13 -0.10 -0.04 7.13 7.16 2zicA1 TRP 460 HH2 -0.09 -0.01 -0.09 -0.04 7.19 6.95 2zicA1 LEU 461 H -0.78 0.34 -0.27 -0.55 8.37 7.10 2zicA1 LEU 461 HA -0.66 0.05 0.27 -0.75 4.35 3.25 2zicA1 LEU 461 HB2 -0.45 0.17 0.15 -0.04 1.64 1.47 2zicA1 LEU 461 HB3 -0.27 0.10 -0.00 -0.04 1.64 1.43 2zicA1 LEU 461 HG -0.44 0.00 -0.05 -0.04 1.64 1.11 2zicA1 LEU 461 HD13 -0.59 0.02 -0.01 -0.04 0.93 0.31 2zicA1 LEU 461 HD23 -1.84 -0.03 -0.08 -0.04 0.89 -1.10 2zicA1 VAL 462 H -0.04 0.15 -0.40 -0.55 8.24 7.40 2zicA1 VAL 462 HA 0.25 0.15 0.82 -0.75 4.13 4.59 2zicA1 VAL 462 HB 0.03 -0.02 0.17 -0.04 2.12 2.26 2zicA1 VAL 462 HG13 0.11 -0.03 -0.10 -0.04 0.97 0.91 2zicA1 VAL 462 HG23 0.14 -0.01 0.00 -0.04 0.95 1.04 2zicA1 ASP 463 H 0.10 0.60 0.22 -0.55 8.40 8.77 2zicA1 ASP 463 HA 0.11 0.06 0.43 -0.75 4.63 4.47 2zicA1 ASP 463 HB2 0.15 -0.09 -0.04 -0.04 2.71 2.69 2zicA1 ASP 463 HB3 0.10 -0.09 0.02 -0.04 2.70 2.69 2zicA1 ALA 464 H 0.26 0.49 -0.09 -0.55 8.40 8.51 2zicA1 ALA 464 HA 0.19 0.07 0.49 -0.75 4.34 4.34 2zicA1 ALA 464 HB3 0.40 -0.06 -0.12 -0.04 1.41 1.59 2zicA1 ASP 465 H 0.14 0.31 0.36 -0.55 8.40 8.67 2zicA1 ASP 465 HA 0.13 0.20 0.67 -0.75 4.63 4.87 2zicA1 ASP 465 HB2 0.10 -0.07 0.24 -0.04 2.71 2.94 2zicA1 ASP 465 HB3 0.09 0.02 0.20 -0.04 2.70 2.96 2zicA1 PHE 466 H 0.20 0.20 0.20 -0.55 8.34 8.39 2zicA1 PHE 466 HA 0.09 0.27 0.94 -0.75 4.62 5.18 2zicA1 PHE 466 HB2 -0.03 0.13 -0.13 -0.04 3.15 3.07 2zicA1 PHE 466 HB3 -0.03 -0.01 0.02 -0.04 3.06 3.01 2zicA1 PHE 466 HD2 -0.16 0.04 -0.19 -0.04 7.28 6.92 2zicA1 PHE 466 HE2 -0.79 -0.02 -0.11 -0.04 7.38 6.42 2zicA1 PHE 466 HZ -0.02 -0.03 -0.15 -0.04 7.32 7.07 2zicA1 GLU 467 H -0.43 0.43 0.22 -0.55 8.60 8.27 2zicA1 GLU 467 HA -0.02 0.13 0.91 -0.75 4.29 4.57 2zicA1 GLU 467 HB2 -0.02 0.01 -0.13 -0.04 2.09 1.91 2zicA1 GLU 467 HB3 -0.07 -0.07 0.13 -0.04 1.99 1.94 2zicA1 GLU 467 HG2 -0.04 0.16 -0.19 -0.04 2.34 2.23 2zicA1 GLU 467 HG3 -0.00 0.00 0.06 -0.04 2.34 2.35 2zicA1 LEU 468 H 0.00 0.14 0.13 -0.55 8.37 8.09 2zicA1 LEU 468 HA -0.10 0.13 0.67 -0.75 4.35 4.29 2zicA1 LEU 468 HB2 0.18 -0.02 0.12 -0.04 1.64 1.87 2zicA1 LEU 468 HB3 0.03 -0.05 0.12 -0.04 1.64 1.69 2zicA1 LEU 468 HG -0.07 0.18 -0.12 -0.04 1.64 1.58 2zicA1 LEU 468 HD13 -0.17 0.03 0.07 -0.04 0.93 0.81 2zicA1 LEU 468 HD23 -0.07 -0.01 -0.06 -0.04 0.89 0.70 2zicA1 LEU 469 H -0.04 0.61 0.36 -0.55 8.37 8.76 2zicA1 LEU 469 HA -0.04 0.17 0.81 -0.75 4.35 4.53 2zicA1 LEU 469 HB2 -0.03 -0.02 -0.10 -0.04 1.64 1.44 2zicA1 LEU 469 HB3 -0.03 0.04 -0.06 -0.04 1.64 1.55 2zicA1 LEU 469 HG -0.05 0.04 -0.16 -0.04 1.64 1.43 2zicA1 LEU 469 HD13 -0.04 -0.02 -0.20 -0.04 0.93 0.63 2zicA1 LEU 469 HD23 -0.03 0.01 -0.09 -0.04 0.89 0.74 2zicA1 PRO 470 HA -0.04 0.06 0.54 -0.51 4.44 4.48 2zicA1 PRO 470 HB2 -0.03 -0.02 0.11 -0.04 2.28 2.30 2zicA1 PRO 470 HB3 -0.03 0.01 0.07 -0.04 2.02 2.03 2zicA1 PRO 470 HG2 -0.02 0.01 0.08 -0.04 2.03 2.06 2zicA1 PRO 470 HG3 -0.03 0.06 0.04 -0.04 2.03 2.07 2zicA1 PRO 470 HD2 -0.03 0.06 0.19 -0.04 3.68 3.86 2zicA1 PRO 470 HD3 -0.03 0.19 0.24 -0.04 3.65 4.01 2zicA1 THR 471 H -0.05 0.26 0.23 -0.55 8.28 8.18 2zicA1 THR 471 HA -0.03 0.09 0.66 -0.75 4.39 4.36 2zicA1 THR 471 HB -0.03 -0.21 0.11 -0.04 4.32 4.15 2zicA1 THR 471 HG23 -0.03 -0.01 -0.45 -0.04 1.22 0.69 2zicA1 ALA 472 H -0.03 0.11 0.11 -0.55 8.40 8.04 2zicA1 ALA 472 HA -0.03 0.05 0.44 -0.75 4.34 4.05 2zicA1 ALA 472 HB3 -0.04 -0.00 0.12 -0.04 1.41 1.45 2zicA1 ASP 473 H -0.04 0.09 0.19 -0.55 8.40 8.09 2zicA1 ASP 473 HA -0.05 0.14 0.40 -0.75 4.63 4.36 2zicA1 ASP 473 HB2 -0.04 -0.07 0.20 -0.04 2.71 2.75 2zicA1 ASP 473 HB3 -0.04 0.02 0.03 -0.04 2.70 2.67 2zicA1 LYS 474 H -0.06 0.01 -0.13 -0.55 8.42 7.68 2zicA1 LYS 474 HA -0.06 0.15 0.58 -0.75 4.32 4.24 2zicA1 LYS 474 HB2 -0.12 -0.06 -0.06 -0.04 1.87 1.59 2zicA1 LYS 474 HB3 -0.17 0.22 0.00 -0.04 1.79 1.81 2zicA1 LYS 474 HG2 -0.08 0.05 0.04 -0.04 1.46 1.43 2zicA1 LYS 474 HG3 -0.07 -0.12 0.02 -0.04 1.46 1.26 2zicA1 LYS 474 HD2 -0.10 -0.04 0.01 -0.04 1.69 1.52 2zicA1 LYS 474 HD3 -0.14 0.06 0.12 -0.04 1.68 1.68 2zicA1 LYS 474 HE2 -0.04 0.07 0.06 -0.04 2.99 3.04 2zicA1 LYS 474 HE3 -0.04 -0.03 0.03 -0.04 2.99 2.91 2zicA1 VAL 475 H -0.05 0.36 -0.56 -0.55 8.24 7.44 2zicA1 VAL 475 HA -0.03 0.13 0.87 -0.75 4.13 4.34 2zicA1 VAL 475 HB -0.03 -0.02 0.07 -0.04 2.12 2.09 2zicA1 VAL 475 HG13 -0.02 -0.00 -0.27 -0.04 0.97 0.63 2zicA1 VAL 475 HG23 -0.05 0.01 -0.12 -0.04 0.95 0.75 2zicA1 PHE 476 H 0.14 0.67 0.26 -0.55 8.34 8.85 2zicA1 PHE 476 HA 0.06 0.17 0.81 -0.75 4.62 4.90 2zicA1 PHE 476 HB2 0.05 -0.01 -0.00 -0.04 3.15 3.14 2zicA1 PHE 476 HB3 0.11 -0.03 0.20 -0.04 3.06 3.29 2zicA1 PHE 476 HD2 0.23 -0.01 -0.26 -0.04 7.28 7.20 2zicA1 PHE 476 HE2 0.25 -0.02 -0.23 -0.04 7.38 7.34 2zicA1 PHE 476 HZ 0.39 -0.03 -0.09 -0.04 7.32 7.55 2zicA1 ALA 477 H 0.02 0.30 0.12 -0.55 8.40 8.29 2zicA1 ALA 477 HA -0.01 0.43 1.15 -0.75 4.34 5.15 2zicA1 ALA 477 HB3 -0.05 -0.04 -0.05 -0.04 1.41 1.23 2zicA1 TYR 478 H -0.31 0.62 0.41 -0.55 8.29 8.46 2zicA1 TYR 478 HA -0.18 0.13 0.78 -0.75 4.56 4.54 2zicA1 TYR 478 HB2 -0.88 0.01 -0.06 -0.04 3.06 2.08 2zicA1 TYR 478 HB3 -0.24 -0.02 -0.19 -0.04 2.98 2.50 2zicA1 TYR 478 HD2 0.21 -0.03 -0.41 -0.04 7.15 6.89 2zicA1 TYR 478 HE2 0.21 0.13 -0.17 -0.04 6.85 6.97 2zicA1 LEU 479 H -0.09 0.50 0.34 -0.55 8.37 8.58 2zicA1 LEU 479 HA -0.01 0.41 1.28 -0.75 4.35 5.28 2zicA1 LEU 479 HB2 -0.03 0.01 -0.03 -0.04 1.64 1.55 2zicA1 LEU 479 HB3 -0.05 -0.09 -0.06 -0.04 1.64 1.41 2zicA1 LEU 479 HG -0.05 0.07 0.07 -0.04 1.64 1.69 2zicA1 LEU 479 HD13 -0.02 -0.02 -0.13 -0.04 0.93 0.72 2zicA1 LEU 479 HD23 -0.04 -0.02 -0.10 -0.04 0.89 0.69 2zicA1 ARG 480 H 0.10 0.50 0.34 -0.55 8.46 8.84 2zicA1 ARG 480 HA 0.19 0.45 0.90 -0.75 4.34 5.12 2zicA1 ARG 480 HB2 0.27 -0.18 0.11 -0.04 1.90 2.07 2zicA1 ARG 480 HB3 0.47 0.11 -0.03 -0.04 1.80 2.31 2zicA1 ARG 480 HG2 0.50 -0.17 -0.18 -0.04 1.67 1.78 2zicA1 ARG 480 HG3 0.79 0.10 -0.04 -0.04 1.67 2.48 2zicA1 ARG 480 HD2 0.35 -0.06 0.02 -0.04 3.22 3.49 2zicA1 ARG 480 HD3 0.46 0.01 -0.02 -0.04 3.22 3.64 2zicA1 LYS 481 H 0.12 0.22 0.12 -0.55 8.42 8.32 2zicA1 LYS 481 HA 0.02 0.33 1.11 -0.75 4.32 5.03 2zicA1 LYS 481 HB2 0.04 -0.05 0.00 -0.04 1.87 1.82 2zicA1 LYS 481 HB3 0.00 0.06 0.03 -0.04 1.79 1.84 2zicA1 LYS 481 HG2 -0.04 0.01 -0.18 -0.04 1.46 1.21 2zicA1 LYS 481 HG3 0.01 -0.02 -0.38 -0.04 1.46 1.02 2zicA1 LYS 481 HD2 -0.03 0.03 -0.08 -0.04 1.69 1.57 2zicA1 LYS 481 HD3 -0.03 -0.03 -0.12 -0.04 1.68 1.46 2zicA1 LYS 481 HE2 0.01 0.01 -0.07 -0.04 2.99 2.90 2zicA1 LYS 481 HE3 -0.00 -0.02 -0.07 -0.04 2.99 2.86 2zicA1 VAL 482 H 0.03 0.63 0.18 -0.55 8.24 8.53 2zicA1 VAL 482 HA 0.07 0.05 0.49 -0.75 4.13 3.98 2zicA1 VAL 482 HB 0.17 0.19 -0.19 -0.04 2.12 2.25 2zicA1 VAL 482 HG13 0.23 -0.04 -0.12 -0.04 0.97 1.00 2zicA1 VAL 482 HG23 0.11 -0.01 -0.11 -0.04 0.95 0.90 2zicA1 ARG 483 H 0.04 0.16 0.12 -0.55 8.46 8.23 2zicA1 ARG 483 HA 0.02 0.05 0.36 -0.75 4.34 4.02 2zicA1 ARG 483 HB2 0.05 0.14 -0.09 -0.04 1.90 1.96 2zicA1 ARG 483 HB3 0.02 -0.08 0.24 -0.04 1.80 1.94 2zicA1 ARG 483 HG2 0.03 0.02 0.06 -0.04 1.67 1.74 2zicA1 ARG 483 HG3 0.05 0.00 -0.05 -0.04 1.67 1.63 2zicA1 ARG 483 HD2 0.04 -0.02 0.01 -0.04 3.22 3.21 2zicA1 ARG 483 HD3 0.04 0.03 -0.00 -0.04 3.22 3.24 2zicA1 GLU 484 H 0.01 0.11 0.22 -0.55 8.60 8.38 2zicA1 GLU 484 HA -0.03 0.19 0.76 -0.75 4.29 4.45 2zicA1 GLU 484 HB2 -0.02 -0.01 0.12 -0.04 2.09 2.14 2zicA1 GLU 484 HB3 -0.03 0.02 0.21 -0.04 1.99 2.14 2zicA1 GLU 484 HG2 -0.00 -0.07 -0.01 -0.04 2.34 2.22 2zicA1 GLU 484 HG3 -0.01 -0.01 0.03 -0.04 2.34 2.32 2zicA1 GLU 485 H -0.03 0.59 -0.15 -0.55 8.60 8.46 2zicA1 GLU 485 HA -0.26 0.16 0.98 -0.75 4.29 4.41 2zicA1 GLU 485 HB2 0.04 0.11 0.14 -0.04 2.09 2.34 2zicA1 GLU 485 HB3 -0.27 -0.01 -0.03 -0.04 1.99 1.64 2zicA1 GLU 485 HG2 -0.05 0.03 -0.05 -0.04 2.34 2.23 2zicA1 GLU 485 HG3 0.00 -0.14 -0.15 -0.04 2.34 2.01 2zicA1 ARG 486 H -0.56 0.25 0.20 -0.55 8.46 7.80 2zicA1 ARG 486 HA -0.23 0.22 0.93 -0.75 4.34 4.50 2zicA1 ARG 486 HB2 -0.22 0.17 0.14 -0.04 1.90 1.94 2zicA1 ARG 486 HB3 -0.15 -0.06 -0.05 -0.04 1.80 1.50 2zicA1 ARG 486 HG2 -0.10 -0.01 -0.14 -0.04 1.67 1.38 2zicA1 ARG 486 HG3 -0.14 -0.07 -0.68 -0.04 1.67 0.74 2zicA1 ARG 486 HD2 -0.11 0.24 -0.07 -0.04 3.22 3.25 2zicA1 ARG 486 HD3 -0.08 -0.12 -0.10 -0.04 3.22 2.87 2zicA1 TYR 487 H -0.16 0.73 0.30 -0.55 8.29 8.61 2zicA1 TYR 487 HA -0.24 0.14 1.12 -0.75 4.56 4.82 2zicA1 TYR 487 HB2 -0.56 0.06 0.15 -0.04 3.06 2.67 2zicA1 TYR 487 HB3 -0.47 0.01 -0.06 -0.04 2.98 2.43 2zicA1 TYR 487 HD2 -0.63 0.08 -0.16 -0.04 7.15 6.40 2zicA1 TYR 487 HE2 -0.49 -0.02 -0.11 -0.04 6.85 6.19 2zicA1 LEU 488 H -0.01 0.65 0.36 -0.55 8.37 8.82 2zicA1 LEU 488 HA -0.07 0.27 1.05 -0.75 4.35 4.84 2zicA1 LEU 488 HB2 -0.03 -0.04 -0.06 -0.04 1.64 1.47 2zicA1 LEU 488 HB3 0.02 -0.01 0.15 -0.04 1.64 1.75 2zicA1 LEU 488 HG -0.04 -0.01 -0.41 -0.04 1.64 1.15 2zicA1 LEU 488 HD13 -0.06 0.04 -0.15 -0.04 0.93 0.72 2zicA1 LEU 488 HD23 0.06 -0.03 -0.17 -0.04 0.89 0.70 2zicA1 ILE 489 H -0.29 0.85 0.40 -0.55 8.25 8.67 2zicA1 ILE 489 HA -0.19 0.23 1.11 -0.75 4.18 4.57 2zicA1 ILE 489 HB -1.35 -0.01 0.14 -0.04 1.89 0.63 2zicA1 ILE 489 HG12 -0.00 0.12 -0.11 -0.04 1.49 1.45 2zicA1 ILE 489 HG13 -0.01 -0.06 -0.11 -0.04 1.21 0.99 2zicA1 ILE 489 HG23 -0.23 0.01 -0.23 -0.04 0.93 0.44 2zicA1 ILE 489 HD13 0.05 -0.06 -0.31 -0.04 0.88 0.52 2zicA1 VAL 490 H -0.51 0.64 0.32 -0.55 8.24 8.14 2zicA1 VAL 490 HA -0.22 0.20 0.95 -0.75 4.13 4.30 2zicA1 VAL 490 HB -1.38 -0.06 0.01 -0.04 2.12 0.64 2zicA1 VAL 490 HG13 -0.19 -0.01 -0.30 -0.04 0.97 0.43 2zicA1 VAL 490 HG23 -0.15 -0.00 -0.31 -0.04 0.95 0.44 2zicA1 VAL 491 H -0.05 0.44 0.08 -0.55 8.24 8.16 2zicA1 VAL 491 HA -0.08 0.24 1.05 -0.75 4.13 4.58 2zicA1 VAL 491 HB 0.07 0.02 0.12 -0.04 2.12 2.29 2zicA1 VAL 491 HG13 0.09 -0.01 -0.26 -0.04 0.97 0.75 2zicA1 VAL 491 HG23 -0.02 -0.02 -0.26 -0.04 0.95 0.62 2zicA1 ASN 492 H -0.05 0.94 0.12 -0.55 8.53 9.00 2zicA1 ASN 492 HA -0.12 0.09 0.70 -0.75 4.76 4.66 2zicA1 ASN 492 HB2 -0.09 -0.04 0.00 -0.04 2.88 2.72 2zicA1 ASN 492 HB3 -0.15 -0.12 0.26 -0.04 2.79 2.74 2zicA1 ASN 492 HD21 -0.20 0.32 -0.17 -0.04 7.03 6.94 2zicA1 ASN 492 HD22 -0.15 0.30 -0.47 -0.04 7.74 7.38 2zicA1 VAL 493 H -0.14 0.50 0.22 -0.55 8.24 8.27 2zicA1 VAL 493 HA -0.69 0.05 0.53 -0.75 4.13 3.27 2zicA1 VAL 493 HB -0.10 0.04 0.28 -0.04 2.12 2.30 2zicA1 VAL 493 HG13 0.04 -0.02 0.03 -0.04 0.97 0.99 2zicA1 VAL 493 HG23 0.09 0.02 -0.03 -0.04 0.95 0.99 2zicA1 SER 494 H -1.49 0.53 -0.02 -0.55 8.46 6.94 2zicA1 SER 494 HA -0.51 0.12 0.66 -0.75 4.49 4.00 2zicA1 SER 494 HB2 -0.29 0.09 -0.23 -0.04 3.95 3.48 2zicA1 SER 494 HB3 -0.39 0.06 -0.19 -0.04 3.93 3.37 2zicA1 ASP 495 H -0.16 0.19 0.13 -0.55 8.40 8.02 2zicA1 ASP 495 HA 0.07 0.10 0.56 -0.75 4.63 4.60 2zicA1 ASP 495 HB2 0.10 0.01 0.08 -0.04 2.71 2.86 2zicA1 ASP 495 HB3 0.23 -0.02 0.11 -0.04 2.70 2.98 2zicA1 GLN 496 H -0.19 0.04 -0.30 -0.55 8.47 7.48 2zicA1 GLN 496 HA -0.05 0.22 0.94 -0.75 4.36 4.72 2zicA1 GLN 496 HB2 -0.03 0.05 0.09 -0.04 2.15 2.22 2zicA1 GLN 496 HB3 0.00 0.02 -0.03 -0.04 2.02 1.97 2zicA1 GLN 496 HG2 -0.09 -0.01 -0.09 -0.04 2.40 2.18 2zicA1 GLN 496 HG3 -0.03 0.05 -0.05 -0.04 2.39 2.32 2zicA1 GLN 496 HE21 -0.02 0.06 0.03 -0.04 6.97 7.00 2zicA1 GLN 496 HE22 -0.10 0.00 0.05 -0.04 7.69 7.60 2zicA1 GLU 497 H -0.03 0.07 0.12 -0.55 8.60 8.22 2zicA1 GLU 497 HA -0.06 0.31 0.50 -0.75 4.29 4.28 2zicA1 GLU 497 HB2 -0.01 -0.05 0.11 -0.04 2.09 2.11 2zicA1 GLU 497 HB3 -0.01 -0.06 0.09 -0.04 1.99 1.96 2zicA1 GLU 497 HG2 -0.01 -0.00 -0.24 -0.04 2.34 2.04 2zicA1 GLU 497 HG3 -0.01 0.11 -0.12 -0.04 2.34 2.28 2zicA1 GLU 498 H -0.05 0.56 0.33 -0.55 8.60 8.89 2zicA1 GLU 498 HA -0.04 0.13 0.82 -0.75 4.29 4.44 2zicA1 GLU 498 HB2 -0.07 0.01 -0.05 -0.04 2.09 1.93 2zicA1 GLU 498 HB3 -0.06 -0.08 0.05 -0.04 1.99 1.87 2zicA1 GLU 498 HG2 -0.14 0.24 -0.45 -0.04 2.34 1.96 2zicA1 GLU 498 HG3 -0.14 -0.04 -0.24 -0.04 2.34 1.88 2zicA1 VAL 499 H -0.02 0.06 0.15 -0.55 8.24 7.87 2zicA1 VAL 499 HA 0.01 0.25 0.69 -0.75 4.13 4.33 2zicA1 VAL 499 HB -0.01 -0.01 0.10 -0.04 2.12 2.16 2zicA1 VAL 499 HG13 -0.01 -0.03 -0.06 -0.04 0.97 0.82 2zicA1 VAL 499 HG23 0.01 0.02 0.01 -0.04 0.95 0.96 2zicA1 LEU 500 H 0.05 0.71 0.05 -0.55 8.37 8.63 2zicA1 LEU 500 HA 0.03 0.05 0.56 -0.75 4.35 4.24 2zicA1 LEU 500 HB2 0.05 -0.00 -0.37 -0.04 1.64 1.28 2zicA1 LEU 500 HB3 0.08 0.03 -0.23 -0.04 1.64 1.48 2zicA1 LEU 500 HG 0.10 -0.03 -0.17 -0.04 1.64 1.49 2zicA1 LEU 500 HD13 0.03 -0.00 -0.14 -0.04 0.93 0.77 2zicA1 LEU 500 HD23 0.15 0.01 -0.27 -0.04 0.89 0.73 2zicA1 GLU 501 H 0.01 0.13 -0.05 -0.55 8.60 8.14 2zicA1 GLU 501 HA -0.02 0.20 0.64 -0.75 4.29 4.36 2zicA1 GLU 501 HB2 -0.02 0.03 0.18 -0.04 2.09 2.24 2zicA1 GLU 501 HB3 -0.05 0.03 0.14 -0.04 1.99 2.07 2zicA1 GLU 501 HG2 -0.01 -0.12 -0.04 -0.04 2.34 2.13 2zicA1 GLU 501 HG3 -0.03 0.01 0.01 -0.04 2.34 2.29 2zicA1 ILE 502 H 0.14 0.42 -0.23 -0.55 8.25 8.03 2zicA1 ILE 502 HA 0.03 0.24 0.97 -0.75 4.18 4.66 2zicA1 ILE 502 HB 0.03 -0.01 -0.07 -0.04 1.89 1.79 2zicA1 ILE 502 HG12 0.08 -0.02 -0.19 -0.04 1.49 1.32 2zicA1 ILE 502 HG13 0.08 0.01 -0.41 -0.04 1.21 0.85 2zicA1 ILE 502 HG23 0.01 -0.01 -0.31 -0.04 0.93 0.58 2zicA1 ILE 502 HD13 0.05 -0.01 -0.21 -0.04 0.88 0.67 2zicA1 ASP 503 H 0.03 0.24 0.07 -0.55 8.40 8.20 2zicA1 ASP 503 HA 0.08 0.19 0.85 -0.75 4.63 5.00 2zicA1 ASP 503 HB2 0.03 -0.03 0.09 -0.04 2.71 2.75 2zicA1 ASP 503 HB3 0.03 -0.00 -0.02 -0.04 2.70 2.67 2zicA1 VAL 504 H 0.02 0.28 0.11 -0.55 8.24 8.10 2zicA1 VAL 504 HA -0.01 0.20 0.80 -0.75 4.13 4.37 2zicA1 VAL 504 HB -0.02 -0.06 -0.06 -0.04 2.12 1.94 2zicA1 VAL 504 HG13 0.00 0.01 -0.30 -0.04 0.97 0.64 2zicA1 VAL 504 HG23 0.02 -0.00 -0.22 -0.04 0.95 0.70 2zicA1 ASP 505 H -0.03 0.13 0.07 -0.55 8.40 8.03 2zicA1 ASP 505 HA -0.02 0.22 0.88 -0.75 4.63 4.95 2zicA1 ASP 505 HB2 -0.02 0.03 0.04 -0.04 2.71 2.71 2zicA1 ASP 505 HB3 -0.03 -0.15 0.22 -0.04 2.70 2.69 2zicA1 LYS 506 H -0.03 0.21 0.01 -0.55 8.42 8.05 2zicA1 LYS 506 HA -0.04 0.12 0.53 -0.75 4.32 4.18 2zicA1 LYS 506 HB2 -0.05 -0.00 -0.02 -0.04 1.87 1.76 2zicA1 LYS 506 HB3 -0.05 0.00 0.07 -0.04 1.79 1.77 2zicA1 LYS 506 HG2 -0.04 0.01 -0.38 -0.04 1.46 1.01 2zicA1 LYS 506 HG3 -0.03 0.06 -0.07 -0.04 1.46 1.38 2zicA1 LYS 506 HD2 -0.07 -0.02 -0.19 -0.04 1.69 1.36 2zicA1 LYS 506 HD3 -0.11 0.00 -0.15 -0.04 1.68 1.38 2zicA1 LYS 506 HE2 -0.12 -0.12 -0.13 -0.04 2.99 2.58 2zicA1 LYS 506 HE3 -0.08 0.04 -0.08 -0.04 2.99 2.82 2zicA1 GLN 507 H -0.05 0.63 0.44 -0.55 8.47 8.95 2zicA1 GLN 507 HA -0.03 0.17 0.94 -0.75 4.36 4.69 2zicA1 GLN 507 HB2 -0.04 -0.02 0.07 -0.04 2.15 2.12 2zicA1 GLN 507 HB3 -0.04 -0.02 -0.09 -0.04 2.02 1.82 2zicA1 GLN 507 HG2 -0.08 0.33 -0.09 -0.04 2.40 2.51 2zicA1 GLN 507 HG3 -0.06 -0.04 -0.17 -0.04 2.39 2.08 2zicA1 GLN 507 HE21 -0.07 0.02 -0.10 -0.04 6.97 6.78 2zicA1 GLN 507 HE22 -0.05 -0.04 -0.10 -0.04 7.69 7.46 2zicA1 GLU 508 H -0.02 0.25 0.28 -0.55 8.60 8.56 2zicA1 GLU 508 HA 0.01 0.10 0.63 -0.75 4.29 4.28 2zicA1 GLU 508 HB2 0.00 0.11 -0.41 -0.04 2.09 1.75 2zicA1 GLU 508 HB3 0.03 -0.10 0.02 -0.04 1.99 1.90 2zicA1 GLU 508 HG2 0.06 0.04 -0.13 -0.04 2.34 2.27 2zicA1 GLU 508 HG3 0.03 0.04 0.09 -0.04 2.34 2.46 2zicA1 THR 509 H 0.03 0.26 0.15 -0.55 8.28 8.17 2zicA1 THR 509 HA 0.06 0.14 1.10 -0.75 4.39 4.94 2zicA1 THR 509 HB 0.02 0.03 0.14 -0.04 4.32 4.47 2zicA1 THR 509 HG23 0.04 0.02 -0.19 -0.04 1.22 1.04 2zicA1 LEU 510 H 0.13 0.57 0.37 -0.55 8.37 8.89 2zicA1 LEU 510 HA 0.12 0.13 0.72 -0.75 4.35 4.56 2zicA1 LEU 510 HB2 0.19 0.04 0.08 -0.04 1.64 1.91 2zicA1 LEU 510 HB3 0.19 0.06 -0.01 -0.04 1.64 1.83 2zicA1 LEU 510 HG 0.21 0.03 -0.04 -0.04 1.64 1.80 2zicA1 LEU 510 HD13 0.20 -0.05 -0.25 -0.04 0.93 0.79 2zicA1 LEU 510 HD23 0.27 0.01 -0.09 -0.04 0.89 1.04 2zicA1 ILE 511 H 0.13 0.29 0.25 -0.55 8.25 8.36 2zicA1 ILE 511 HA 0.08 0.10 0.47 -0.75 4.18 4.07 2zicA1 ILE 511 HB 0.08 0.24 -0.11 -0.04 1.89 2.06 2zicA1 ILE 511 HG12 0.06 -0.07 -0.19 -0.04 1.49 1.26 2zicA1 ILE 511 HG13 0.06 0.00 0.10 -0.04 1.21 1.34 2zicA1 ILE 511 HG23 0.10 -0.03 -0.11 -0.04 0.93 0.85 2zicA1 ILE 511 HD13 0.02 -0.00 -0.03 -0.04 0.88 0.82 2zicA1 SER 512 H 0.08 0.32 0.18 -0.55 8.46 8.50 2zicA1 SER 512 HA 0.17 0.25 0.87 -0.75 4.49 5.03 2zicA1 SER 512 HB2 0.12 0.02 -0.08 -0.04 3.95 3.96 2zicA1 SER 512 HB3 0.05 0.02 0.07 -0.04 3.93 4.04 2zicA1 ASN 513 H 0.13 0.55 0.32 -0.55 8.53 8.98 2zicA1 ASN 513 HA 0.07 0.20 0.83 -0.75 4.76 5.11 2zicA1 ASN 513 HB2 0.08 -0.01 0.20 -0.04 2.88 3.11 2zicA1 ASN 513 HB3 0.07 0.01 0.05 -0.04 2.79 2.88 2zicA1 ASN 513 HD21 0.15 0.44 0.13 -0.04 7.03 7.71 2zicA1 ASN 513 HD22 0.10 0.01 0.11 -0.04 7.74 7.91 2zicA1 THR 514 H 0.09 0.14 -0.15 -0.55 8.28 7.81 2zicA1 THR 514 HA 0.06 0.20 0.57 -0.75 4.39 4.47 2zicA1 THR 514 HB 0.11 0.16 -0.22 -0.04 4.32 4.32 2zicA1 THR 514 HG23 0.15 -0.02 -0.29 -0.04 1.22 1.02 2zicA1 ASN 515 H 0.02 0.21 0.06 -0.55 8.53 8.28 2zicA1 ASN 515 HA -0.04 0.17 0.70 -0.75 4.76 4.84 2zicA1 ASN 515 HB2 -0.01 0.11 0.10 -0.04 2.88 3.05 2zicA1 ASN 515 HB3 -0.02 0.02 0.23 -0.04 2.79 2.98 2zicA1 ASN 515 HD21 -0.03 0.05 0.01 -0.04 7.03 7.02 2zicA1 ASN 515 HD22 -0.02 0.08 0.03 -0.04 7.74 7.80 2zicA1 GLU 516 H -0.16 0.39 0.05 -0.55 8.60 8.34 2zicA1 GLU 516 HA -0.53 0.08 0.30 -0.75 4.29 3.39 2zicA1 GLU 516 HB2 -1.61 0.05 -0.04 -0.04 2.09 0.44 2zicA1 GLU 516 HB3 -0.63 0.06 0.01 -0.04 1.99 1.39 2zicA1 GLU 516 HG2 -0.29 -0.00 -0.18 -0.04 2.34 1.83 2zicA1 GLU 516 HG3 -0.30 0.06 -0.09 -0.04 2.34 1.97 2zicA1 SER 517 H -0.16 0.10 -0.19 -0.55 8.46 7.67 2zicA1 SER 517 HA -0.15 0.11 0.36 -0.75 4.49 4.06 2zicA1 SER 517 HB2 -0.08 -0.05 0.04 -0.04 3.95 3.83 2zicA1 SER 517 HB3 -0.08 0.07 -0.04 -0.04 3.93 3.84 2zicA1 ALA 518 H -0.09 0.08 -0.26 -0.55 8.40 7.58 2zicA1 ALA 518 HA -0.06 0.07 0.40 -0.75 4.34 3.99 2zicA1 ALA 518 HB3 -0.03 0.04 0.08 -0.04 1.41 1.46 2zicA1 ALA 519 H -0.09 0.29 -0.24 -0.55 8.40 7.81 2zicA1 ALA 519 HA -0.01 0.21 0.43 -0.75 4.34 4.21 2zicA1 ALA 519 HB3 0.04 0.00 0.02 -0.04 1.41 1.43 2zicA1 LEU 520 H -0.13 0.45 -0.15 -0.55 8.37 7.99 2zicA1 LEU 520 HA -0.07 0.06 0.41 -0.75 4.35 3.99 2zicA1 LEU 520 HB2 -0.13 0.06 0.16 -0.04 1.64 1.69 2zicA1 LEU 520 HB3 -0.10 0.00 -0.01 -0.04 1.64 1.49 2zicA1 LEU 520 HG 0.00 -0.02 -0.05 -0.04 1.64 1.52 2zicA1 LEU 520 HD13 -0.10 0.10 -0.08 -0.04 0.93 0.81 2zicA1 LEU 520 HD23 -0.09 -0.02 -0.10 -0.04 0.89 0.64 2zicA1 ALA 521 H -0.13 0.47 -0.12 -0.55 8.40 8.08 2zicA1 ALA 521 HA -0.22 0.07 0.52 -0.75 4.34 3.95 2zicA1 ALA 521 HB3 -0.08 -0.02 0.09 -0.04 1.41 1.35 2zicA1 ASN 522 H -0.11 0.63 -0.05 -0.55 8.53 8.44 2zicA1 ASN 522 HA -0.03 0.12 0.69 -0.75 4.76 4.79 2zicA1 ASN 522 HB2 -0.02 0.10 0.09 -0.04 2.88 3.00 2zicA1 ASN 522 HB3 0.00 -0.07 0.12 -0.04 2.79 2.80 2zicA1 ASN 522 HD21 -0.02 -0.07 -0.01 -0.04 7.03 6.90 2zicA1 ASN 522 HD22 -0.01 -0.03 -0.03 -0.04 7.74 7.63 2zicA1 HIS 523 H -0.31 0.24 -0.51 -0.55 8.41 7.29 2zicA1 HIS 523 HA 0.01 0.13 0.41 -0.75 4.63 4.43 2zicA1 HIS 523 HB2 -0.00 0.04 -0.16 -0.04 3.26 3.11 2zicA1 HIS 523 HB3 0.00 -0.09 0.22 -0.04 3.20 3.29 2zicA1 HIS 523 HD2 -0.00 -0.04 -0.11 -0.04 6.97 6.77 2zicA1 HIS 523 HE1 -0.00 -0.03 0.07 -0.04 7.75 7.74 2zicA1 LYS 524 H 0.02 0.25 -0.28 -0.55 8.42 7.86 2zicA1 LYS 524 HA 0.04 0.06 0.83 -0.75 4.32 4.49 2zicA1 LYS 524 HB2 0.02 -0.02 -0.04 -0.04 1.87 1.79 2zicA1 LYS 524 HB3 0.04 0.10 -0.20 -0.04 1.79 1.68 2zicA1 LYS 524 HG2 0.02 0.02 -0.13 -0.04 1.46 1.33 2zicA1 LYS 524 HG3 0.01 -0.10 -0.31 -0.04 1.46 1.03 2zicA1 LYS 524 HD2 0.01 -0.04 -0.12 -0.04 1.69 1.50 2zicA1 LYS 524 HD3 0.02 0.07 -0.07 -0.04 1.68 1.66 2zicA1 LYS 524 HE2 0.01 -0.06 -0.11 -0.04 2.99 2.79 2zicA1 LYS 524 HE3 0.01 -0.02 -0.06 -0.04 2.99 2.88 2zicA1 LEU 525 H 0.01 0.94 0.26 -0.55 8.37 9.03 2zicA1 LEU 525 HA 0.05 0.09 0.91 -0.75 4.35 4.64 2zicA1 LEU 525 HB2 -0.03 -0.04 0.00 -0.04 1.64 1.54 2zicA1 LEU 525 HB3 -0.01 0.05 -0.06 -0.04 1.64 1.59 2zicA1 LEU 525 HG 0.05 -0.01 -0.43 -0.04 1.64 1.21 2zicA1 LEU 525 HD13 -0.03 0.01 -0.26 -0.04 0.93 0.61 2zicA1 LEU 525 HD23 0.15 0.00 -0.21 -0.04 0.89 0.80 2zicA1 GLN 526 H 0.03 0.08 0.09 -0.55 8.47 8.12 2zicA1 GLN 526 HA -0.02 0.09 0.50 -0.75 4.36 4.18 2zicA1 GLN 526 HB2 0.03 -0.03 -0.01 -0.04 2.15 2.10 2zicA1 GLN 526 HB3 0.03 0.08 0.06 -0.04 2.02 2.14 2zicA1 GLN 526 HG2 0.03 -0.03 -0.00 -0.04 2.40 2.35 2zicA1 GLN 526 HG3 0.04 -0.01 -0.00 -0.04 2.39 2.38 2zicA1 GLN 526 HE21 0.03 -0.01 -0.02 -0.04 6.97 6.93 2zicA1 GLN 526 HE22 0.04 0.04 0.03 -0.04 7.69 7.76 2zicA1 PRO 527 HA -0.36 0.17 0.23 -0.51 4.44 3.97 2zicA1 PRO 527 HB2 -0.97 -0.06 0.01 -0.04 2.28 1.22 2zicA1 PRO 527 HB3 -0.54 0.06 -0.17 -0.04 2.02 1.32 2zicA1 PRO 527 HG2 -0.03 0.05 0.02 -0.04 2.03 2.02 2zicA1 PRO 527 HG3 -0.13 -0.17 -0.33 -0.04 2.03 1.36 2zicA1 PRO 527 HD2 -0.03 0.08 0.10 -0.04 3.68 3.80 2zicA1 PRO 527 HD3 -0.03 0.06 0.09 -0.04 3.65 3.72 2zicA1 TRP 528 H -0.60 0.29 0.31 -0.55 7.97 7.42 2zicA1 TRP 528 HA -0.07 0.43 0.50 -0.75 4.62 4.73 2zicA1 TRP 528 HB2 -0.13 0.09 -0.21 -0.04 3.23 2.93 2zicA1 TRP 528 HB3 -0.04 -0.03 -0.01 -0.04 3.23 3.10 2zicA1 TRP 528 HD1 -0.60 -0.04 -0.21 -0.04 7.22 6.32 2zicA1 TRP 528 HE1 0.00 -0.11 -0.18 -0.04 10.20 9.87 2zicA1 TRP 528 HE3 -0.04 0.01 0.05 -0.04 7.59 7.58 2zicA1 TRP 528 HZ2 0.01 0.03 -0.26 -0.04 7.44 7.18 2zicA1 TRP 528 HZ3 -0.06 0.02 -0.02 -0.04 7.13 7.03 2zicA1 TRP 528 HH2 -0.02 0.33 0.03 -0.04 7.19 7.49 2zicA1 ASP 529 H -0.01 0.46 -0.30 -0.55 8.40 8.00 2zicA1 ASP 529 HA 0.12 0.01 0.31 -0.75 4.63 4.32 2zicA1 ASP 529 HB2 0.04 0.07 0.06 -0.04 2.71 2.84 2zicA1 ASP 529 HB3 0.17 -0.01 -0.14 -0.04 2.70 2.67 2zicA1 ALA 530 H 0.17 0.09 0.16 -0.55 8.40 8.27 2zicA1 ALA 530 HA -0.10 0.39 0.85 -0.75 4.34 4.73 2zicA1 ALA 530 HB3 0.07 0.02 -0.03 -0.04 1.41 1.43 2zicA1 PHE 531 H -0.39 0.67 0.36 -0.55 8.34 8.42 2zicA1 PHE 531 HA 0.03 0.20 0.67 -0.75 4.62 4.77 2zicA1 PHE 531 HB2 0.02 0.05 0.15 -0.04 3.15 3.33 2zicA1 PHE 531 HB3 0.02 -0.06 0.02 -0.04 3.06 3.01 2zicA1 PHE 531 HD2 0.01 -0.02 -0.38 -0.04 7.28 6.84 2zicA1 PHE 531 HE2 -0.01 0.00 -0.17 -0.04 7.38 7.16 2zicA1 PHE 531 HZ -0.02 0.03 -0.17 -0.04 7.32 7.13 2zicA1 CYS 532 H 0.23 0.63 0.40 -0.55 8.50 9.21 2zicA1 CYS 532 HA 0.09 0.40 1.14 -0.75 4.58 5.46 2zicA1 CYS 532 HB2 0.12 0.07 -0.03 -0.04 2.97 3.09 2zicA1 CYS 532 HB3 0.16 -0.09 0.17 -0.04 2.97 3.17 2zicA1 ILE 533 H 0.15 0.67 0.36 -0.55 8.25 8.88 2zicA1 ILE 533 HA 0.11 0.09 1.23 -0.75 4.18 4.85 2zicA1 ILE 533 HB 0.03 0.05 0.03 -0.04 1.89 1.96 2zicA1 ILE 533 HG12 0.30 0.07 0.02 -0.04 1.49 1.83 2zicA1 ILE 533 HG13 0.08 -0.04 -0.01 -0.04 1.21 1.20 2zicA1 ILE 533 HG23 0.06 -0.04 -0.17 -0.04 0.93 0.73 2zicA1 ILE 533 HD13 0.06 -0.02 -0.15 -0.04 0.88 0.72 2zicA1 LYS 534 H 0.03 0.59 0.37 -0.55 8.42 8.86 2zicA1 LYS 534 HA -0.29 0.23 0.89 -0.75 4.32 4.41 2zicA1 LYS 534 HB2 0.02 -0.01 0.09 -0.04 1.87 1.93 2zicA1 LYS 534 HB3 -0.06 -0.13 0.19 -0.04 1.79 1.75 2zicA1 LYS 534 HG2 -0.26 0.03 -0.06 -0.04 1.46 1.13 2zicA1 LYS 534 HG3 -0.80 0.09 0.11 -0.04 1.46 0.81 2zicA1 LYS 534 HD2 -0.03 -0.00 -0.02 -0.04 1.69 1.60 2zicA1 LYS 534 HD3 -0.06 -0.04 -0.04 -0.04 1.68 1.50 2zicA1 LYS 534 HE2 -0.35 -0.05 0.04 -0.04 2.99 2.60 2zicA1 LYS 534 HE3 -0.06 -0.01 -0.01 -0.04 2.99 2.86 2zicA1 ILE 535 H -0.23 0.60 0.37 -0.55 8.25 8.44 2zicA1 ILE 535 HA -0.08 0.19 1.11 -0.75 4.18 4.64 2zicA1 ILE 535 HB -0.06 -0.18 0.01 -0.04 1.89 1.62 2zicA1 ILE 535 HG12 -0.13 0.08 -0.11 -0.04 1.49 1.28 2zicA1 ILE 535 HG13 -0.11 0.03 -0.31 -0.04 1.21 0.78 2zicA1 ILE 535 HG23 -0.03 0.02 -0.28 -0.04 0.93 0.60 2zicA1 ILE 535 HD13 -0.05 -0.01 -0.14 -0.04 0.88 0.63 2zicA1 LEU 536 H -0.06 0.32 0.18 -0.55 8.37 8.26 2zicA1 LEU 536 HA -0.08 0.19 0.42 -0.75 4.35 4.12 2zicA1 LEU 536 HB2 -0.05 0.05 0.05 -0.04 1.64 1.65 2zicA1 LEU 536 HB3 -0.04 -0.07 0.16 -0.04 1.64 1.64 2zicA1 LEU 536 HG -0.04 -0.01 0.05 -0.04 1.64 1.60 2zicA1 LEU 536 HD13 -0.04 0.02 0.04 -0.04 0.93 0.90 2zicA1 LEU 536 HD23 -0.03 -0.01 0.01 -0.04 0.89 0.83