REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1jba_1_A DATA FIRST_RESID 2 DATA SEQUENCE GQQFSWEEAE ENGAVGAADA AQLQEWYKKF LEECPSGTLF MHEFKRFFKV DATA SEQUENCE PDNEEATQYV EAMFRAFDTN GDNTIDFLEY VAALNLVLRG TLEHKLKWTF DATA SEQUENCE KIYDKDRNGC IDRQELLDIV ESIYKLKKAC SVEVEAEQQG KLLTPEEVVD DATA SEQUENCE RIFLLVDENG DGQLSLNEFV EGARRDKWVM KMLQMDLNP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.936 3.960 -0.040 0.000 0.244 2 G C 0.000 174.869 174.900 -0.051 0.000 0.946 2 G CA 0.000 45.079 45.100 -0.034 0.000 0.502 3 Q N -0.860 118.922 119.800 -0.029 0.000 1.640 3 Q HA -0.337 3.999 4.340 -0.007 0.000 0.401 3 Q C -0.867 175.120 176.000 -0.022 0.000 0.902 3 Q CA 1.099 56.885 55.803 -0.030 0.000 0.738 3 Q CB -0.123 28.580 28.738 -0.059 0.000 4.166 3 Q HN 0.204 8.465 8.270 -0.015 0.000 0.686 4 Q N -1.928 117.840 119.800 -0.054 0.000 2.870 4 Q HA 0.105 4.504 4.340 0.100 0.000 0.366 4 Q C -1.336 174.596 176.000 -0.113 0.000 0.738 4 Q CA 0.114 55.931 55.803 0.024 0.000 0.870 4 Q CB 1.290 30.082 28.738 0.091 0.000 1.237 4 Q HN 0.049 8.267 8.270 -0.087 0.000 0.497 5 F N 0.336 120.237 119.950 -0.082 0.000 2.664 5 F HA 0.222 4.708 4.527 -0.068 0.000 0.303 5 F C -0.485 175.179 175.800 -0.227 0.000 1.092 5 F CA -0.221 57.721 58.000 -0.097 0.000 1.305 5 F CB 0.734 39.703 39.000 -0.051 0.000 1.054 5 F HN 0.242 8.804 8.300 0.437 0.000 0.565 6 S N -1.887 113.694 115.700 -0.198 0.000 2.862 6 S HA 0.163 4.028 4.470 -1.009 0.000 0.300 6 S C -1.540 172.734 174.600 -0.543 0.000 1.240 6 S CA -1.180 56.591 58.200 -0.716 0.000 1.025 6 S CB 0.662 63.436 63.200 -0.710 0.000 1.340 6 S HN -0.679 7.500 8.310 -0.094 0.075 0.544 7 W N 0.095 121.439 121.300 0.075 0.000 2.215 7 W HA 0.241 4.935 4.660 0.057 0.000 0.342 7 W C 1.389 177.931 176.519 0.037 0.000 1.237 7 W CA -0.896 56.481 57.345 0.054 0.000 1.283 7 W CB 0.571 30.060 29.460 0.048 0.000 1.131 7 W HN -0.086 7.500 8.180 -0.990 0.000 0.606 8 E N 2.114 122.470 120.200 0.260 0.000 2.160 8 E HA -0.540 3.886 4.350 0.127 0.000 0.195 8 E C 1.365 178.061 176.600 0.159 0.000 0.991 8 E CA 3.882 60.378 56.400 0.160 0.000 0.810 8 E CB -0.221 29.547 29.700 0.113 0.000 0.742 8 E HN 0.529 9.044 8.360 0.258 0.000 0.466 9 E N -0.965 119.346 120.200 0.185 0.000 2.023 9 E HA -0.266 4.125 4.350 0.068 0.000 0.196 9 E C 2.128 178.802 176.600 0.124 0.000 1.003 9 E CA 2.458 58.923 56.400 0.108 0.000 0.809 9 E CB -0.934 28.789 29.700 0.037 0.000 0.755 9 E HN 0.388 8.870 8.360 0.237 0.019 0.449 10 A N -1.733 121.225 122.820 0.231 0.000 1.908 10 A HA -0.256 4.212 4.320 0.119 -0.077 0.218 10 A C 1.916 179.579 177.584 0.131 0.000 1.181 10 A CA 2.872 55.032 52.037 0.206 0.000 0.627 10 A CB -0.778 18.472 19.000 0.416 0.000 0.818 10 A HN -0.120 8.258 8.150 0.380 0.000 0.445 11 E N -2.607 117.675 120.200 0.137 0.000 2.048 11 E HA -0.390 4.002 4.350 0.069 0.000 0.202 11 E C 1.934 178.570 176.600 0.059 0.000 1.021 11 E CA 2.644 59.094 56.400 0.084 0.000 0.825 11 E CB -0.217 29.533 29.700 0.083 0.000 0.756 11 E HN -0.728 7.741 8.360 0.186 0.003 0.454 12 E N -2.051 118.185 120.200 0.059 0.000 2.012 12 E HA -0.051 4.319 4.350 0.033 0.000 0.192 12 E C 0.880 177.498 176.600 0.030 0.000 0.977 12 E CA 0.395 56.819 56.400 0.039 0.000 0.832 12 E CB 0.805 30.526 29.700 0.036 0.000 0.790 12 E HN -0.512 7.892 8.360 0.073 0.000 0.466 13 N N -0.060 118.657 118.700 0.029 0.000 2.353 13 N HA -0.113 4.632 4.740 0.009 0.000 0.248 13 N C 1.234 176.754 175.510 0.016 0.000 1.240 13 N CA 0.625 53.684 53.050 0.015 0.000 0.862 13 N CB 0.519 39.008 38.487 0.005 0.000 1.086 13 N HN -0.441 7.960 8.380 0.034 0.000 0.453 14 G N 0.556 109.360 108.800 0.006 0.000 2.408 14 G HA2 -0.190 3.776 3.960 0.009 0.000 0.217 14 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 14 G C -0.518 174.382 174.900 -0.001 0.000 1.150 14 G CA 1.426 46.529 45.100 0.004 0.000 0.776 14 G HN 0.526 8.817 8.290 0.002 0.000 0.542 15 A N -2.442 120.371 122.820 -0.012 0.000 2.602 15 A HA 0.258 4.562 4.320 -0.026 0.000 0.238 15 A C -1.123 176.431 177.584 -0.051 0.000 0.863 15 A CA -0.646 51.374 52.037 -0.029 0.000 1.148 15 A CB 0.099 19.081 19.000 -0.029 0.000 1.227 15 A HN -0.634 7.508 8.150 -0.013 0.000 0.460 16 V N -1.415 118.473 119.914 -0.044 0.000 0.690 16 V HA -0.485 3.608 4.120 -0.045 0.000 0.092 16 V C -0.167 175.889 176.094 -0.063 0.000 0.787 16 V CA 1.619 63.881 62.300 -0.063 0.000 3.100 16 V CB -0.646 31.106 31.823 -0.117 0.000 0.193 16 V HN -0.007 8.169 8.190 -0.023 0.000 0.096 17 G N -4.403 104.347 108.800 -0.083 0.000 2.327 17 G HA2 -0.034 3.888 3.960 -0.065 0.000 0.291 17 G HA3 -0.034 3.893 3.960 -0.056 0.000 0.291 17 G C -2.612 172.238 174.900 -0.083 0.000 1.290 17 G CA -0.615 44.443 45.100 -0.070 0.000 0.857 17 G HN -0.370 7.854 8.290 -0.110 0.000 0.520 18 A N -2.556 120.223 122.820 -0.069 0.000 5.100 18 A HA -0.283 4.002 4.320 -0.059 0.000 0.533 18 A C 0.090 177.620 177.584 -0.089 0.000 1.142 18 A CA 0.119 52.113 52.037 -0.072 0.000 0.463 18 A CB 0.214 19.169 19.000 -0.075 0.000 3.021 18 A HN -0.143 7.973 8.150 -0.056 0.000 0.487 19 A N -2.307 120.461 122.820 -0.086 0.000 2.239 19 A HA -0.123 4.138 4.320 -0.098 0.000 0.209 19 A C 1.300 178.799 177.584 -0.142 0.000 1.171 19 A CA 1.608 53.585 52.037 -0.101 0.000 0.768 19 A CB -0.352 18.600 19.000 -0.081 0.000 0.790 19 A HN 0.485 8.591 8.150 -0.073 0.000 0.478 20 D N 0.914 121.225 120.400 -0.149 0.000 2.096 20 D HA -0.319 4.204 4.640 -0.194 0.000 0.200 20 D C 1.920 178.062 176.300 -0.263 0.000 0.980 20 D CA 2.857 56.739 54.000 -0.195 0.000 0.860 20 D CB -0.756 39.938 40.800 -0.177 0.000 1.005 20 D HN -0.374 7.814 8.370 -0.126 0.106 0.449 21 A N -0.803 121.853 122.820 -0.273 0.000 1.948 21 A HA -0.360 3.695 4.320 -0.442 0.000 0.220 21 A C 1.860 179.286 177.584 -0.263 0.000 1.177 21 A CA 2.950 54.786 52.037 -0.335 0.000 0.636 21 A CB -0.814 18.000 19.000 -0.310 0.000 0.815 21 A HN -0.179 7.829 8.150 -0.237 0.000 0.449 22 A N -2.141 120.559 122.820 -0.200 0.000 1.884 22 A HA -0.554 3.694 4.320 -0.121 0.000 0.219 22 A C 2.031 179.492 177.584 -0.204 0.000 1.197 22 A CA 3.397 55.340 52.037 -0.156 0.000 0.637 22 A CB -1.132 17.795 19.000 -0.121 0.000 0.827 22 A HN -0.226 7.802 8.150 -0.183 0.012 0.450 23 Q N -2.127 117.497 119.800 -0.293 0.000 2.096 23 Q HA -0.289 3.838 4.340 -0.355 0.000 0.204 23 Q C 2.756 178.328 176.000 -0.714 0.000 0.982 23 Q CA 2.857 58.373 55.803 -0.478 0.000 0.850 23 Q CB -0.272 28.134 28.738 -0.554 0.000 0.901 23 Q HN -0.494 7.541 8.270 -0.270 0.073 0.422 24 L N -0.399 120.498 121.223 -0.544 0.000 2.109 24 L HA -0.334 3.855 4.340 -0.252 0.000 0.207 24 L C 1.863 178.764 176.870 0.050 0.000 1.086 24 L CA 3.149 57.857 54.840 -0.219 0.000 0.760 24 L CB -0.347 41.633 42.059 -0.132 0.000 0.910 24 L HN -0.531 7.337 8.230 -0.461 0.086 0.437 25 Q N 0.071 119.836 119.800 -0.058 0.000 2.096 25 Q HA -0.541 3.840 4.340 0.069 0.000 0.208 25 Q C 2.414 178.497 176.000 0.139 0.000 0.993 25 Q CA 3.956 59.782 55.803 0.038 0.000 0.862 25 Q CB -0.244 28.481 28.738 -0.022 0.000 0.915 25 Q HN 0.933 8.896 8.270 -0.163 0.209 0.416 26 E N -0.395 119.864 120.200 0.098 0.000 2.047 26 E HA -0.249 4.202 4.350 0.169 0.000 0.191 26 E C 1.988 178.828 176.600 0.401 0.000 0.987 26 E CA 3.213 59.730 56.400 0.195 0.000 0.799 26 E CB -0.438 29.353 29.700 0.152 0.000 0.752 26 E HN -0.654 7.698 8.360 -0.013 0.000 0.449 27 W N -0.669 120.795 121.300 0.274 0.000 2.333 27 W HA -0.319 4.577 4.660 0.393 0.000 0.316 27 W C 2.568 179.293 176.519 0.344 0.000 1.215 27 W CA 2.406 60.009 57.345 0.430 0.000 1.278 27 W CB -0.730 29.137 29.460 0.680 0.000 1.154 27 W HN -0.583 7.723 8.180 0.326 0.069 0.486 28 Y N -0.626 119.760 120.300 0.143 0.000 2.274 28 Y HA -0.570 3.327 4.550 -1.089 0.000 0.290 28 Y C 1.641 177.499 175.900 -0.071 0.000 1.145 28 Y CA 3.826 61.653 58.100 -0.455 0.000 1.203 28 Y CB 0.186 38.395 38.460 -0.418 0.000 0.984 28 Y HN 0.940 9.398 8.280 0.495 0.119 0.533 29 K N -0.505 119.999 120.400 0.172 0.000 2.044 29 K HA -0.298 4.016 4.320 -0.011 0.000 0.204 29 K C 1.982 178.616 176.600 0.057 0.000 1.045 29 K CA 2.887 59.224 56.287 0.084 0.000 0.951 29 K CB 0.053 32.640 32.500 0.145 0.000 0.738 29 K HN -0.160 8.140 8.250 0.280 0.118 0.443 30 K N -1.820 118.680 120.400 0.166 0.000 2.173 30 K HA -0.325 4.071 4.320 0.126 0.000 0.207 30 K C 2.394 179.087 176.600 0.154 0.000 1.046 30 K CA 3.428 59.819 56.287 0.173 0.000 0.929 30 K CB -0.142 32.518 32.500 0.267 0.000 0.720 30 K HN 0.503 8.768 8.250 0.230 0.123 0.453 31 F N -1.749 118.191 119.950 -0.017 0.000 2.317 31 F HA -0.039 4.395 4.527 -0.155 0.000 0.290 31 F C 0.069 175.770 175.800 -0.164 0.000 1.075 31 F CA 1.602 59.536 58.000 -0.110 0.000 1.380 31 F CB 1.085 40.060 39.000 -0.041 0.000 1.093 31 F HN -0.688 7.738 8.300 0.260 0.030 0.524 32 L N -2.785 118.067 121.223 -0.618 0.000 2.567 32 L HA 0.152 4.055 4.340 -0.971 -0.146 0.225 32 L C 1.496 178.141 176.870 -0.374 0.000 1.119 32 L CA 0.244 54.639 54.840 -0.743 0.000 0.871 32 L CB 0.034 41.569 42.059 -0.873 0.000 1.036 32 L HN -0.512 7.427 8.230 -0.380 0.064 0.459 33 E N 0.949 121.016 120.200 -0.222 0.000 2.047 33 E HA -0.302 3.992 4.350 -0.094 0.000 0.191 33 E C 1.352 177.889 176.600 -0.105 0.000 0.987 33 E CA 2.879 59.214 56.400 -0.109 0.000 0.799 33 E CB -0.283 29.396 29.700 -0.034 0.000 0.752 33 E HN 0.435 8.534 8.360 -0.191 0.147 0.449 34 E N -1.616 118.517 120.200 -0.112 0.000 2.502 34 E HA -0.078 4.237 4.350 -0.059 0.000 0.194 34 E C -1.004 175.522 176.600 -0.123 0.000 1.062 34 E CA 0.185 56.533 56.400 -0.086 0.000 0.867 34 E CB 0.087 29.756 29.700 -0.052 0.000 0.888 34 E HN 0.333 8.622 8.360 -0.118 0.000 0.510 35 C N -0.031 119.150 119.300 -0.199 0.000 3.044 35 C HA 0.237 4.615 4.460 -0.137 0.000 0.382 35 C C -2.599 172.237 174.990 -0.258 0.000 1.071 35 C CA -2.522 56.371 59.018 -0.209 0.000 1.296 35 C CB 2.583 30.178 27.740 -0.243 0.000 1.730 35 C HN -0.708 7.224 8.230 -0.238 0.155 0.513 36 P HA 0.116 4.514 4.420 -0.168 -0.078 0.267 36 P C -0.007 177.217 177.300 -0.127 0.000 1.205 36 P CA 0.296 63.313 63.100 -0.139 0.000 0.765 36 P CB 0.134 31.790 31.700 -0.074 0.000 0.828 37 S N -0.229 115.396 115.700 -0.124 0.000 3.445 37 S HA -0.342 4.129 4.470 0.000 0.000 0.319 37 S C -0.180 174.376 174.600 -0.073 0.000 1.209 37 S CA 1.021 59.195 58.200 -0.044 0.000 0.934 37 S CB -0.211 63.002 63.200 0.021 0.000 0.999 37 S HN 0.460 8.684 8.310 -0.144 0.000 0.582 38 G N -0.154 108.496 108.800 -0.251 0.000 2.354 38 G HA2 -0.102 3.823 3.960 -0.059 0.000 0.266 38 G HA3 -0.102 3.603 3.960 -0.524 -0.059 0.266 38 G C -1.535 173.355 174.900 -0.017 0.000 1.242 38 G CA 0.173 45.121 45.100 -0.253 0.000 0.923 38 G HN -0.580 7.448 8.290 -0.372 0.039 0.476 39 T N 1.036 115.751 114.554 0.268 0.000 2.944 39 T HA 0.095 4.697 4.350 0.419 0.000 0.284 39 T C -0.649 174.311 174.700 0.435 0.000 1.010 39 T CA -2.347 59.954 62.100 0.334 0.000 1.025 39 T CB 2.547 71.451 68.868 0.060 0.000 1.079 39 T HN -0.431 7.968 8.240 0.265 0.000 0.516 40 L N 0.779 122.102 121.223 0.165 0.000 2.375 40 L HA 0.257 4.818 4.340 0.368 0.000 0.268 40 L C -1.105 175.708 176.870 -0.096 0.000 1.058 40 L CA -0.405 54.514 54.840 0.132 0.000 0.803 40 L CB 1.974 43.990 42.059 -0.072 0.000 1.212 40 L HN -0.181 8.095 8.230 0.076 0.000 0.451 41 F N -2.502 117.502 119.950 0.091 0.000 2.588 41 F HA 0.381 4.943 4.527 0.059 0.000 0.314 41 F C 1.258 177.040 175.800 -0.030 0.000 1.069 41 F CA -1.396 56.636 58.000 0.052 0.000 0.931 41 F CB 3.665 42.705 39.000 0.068 0.000 1.260 41 F HN -0.191 8.391 8.300 0.470 0.000 0.465 42 M N 2.085 121.588 119.600 -0.161 0.000 2.192 42 M HA -0.417 3.671 4.480 -0.654 0.000 0.256 42 M C 0.470 176.702 176.300 -0.113 0.000 1.076 42 M CA 5.203 60.217 55.300 -0.478 0.000 1.075 42 M CB -0.468 31.669 32.600 -0.770 0.000 1.368 42 M HN 0.828 8.995 8.290 -0.204 0.000 0.406 43 H N -1.722 117.363 119.070 0.026 0.000 2.355 43 H HA -0.108 4.463 4.556 0.026 0.000 0.303 43 H C 1.942 177.331 175.328 0.102 0.000 1.061 43 H CA 4.103 60.181 56.048 0.050 0.000 1.368 43 H CB -0.228 29.549 29.762 0.025 0.000 1.412 43 H HN 0.004 8.441 8.280 0.309 0.027 0.523 44 E N -1.158 119.212 120.200 0.284 0.000 2.333 44 E HA -0.275 4.190 4.350 0.192 0.000 0.198 44 E C 2.173 178.916 176.600 0.239 0.000 1.007 44 E CA 2.375 58.915 56.400 0.234 0.000 0.845 44 E CB -0.931 28.929 29.700 0.268 0.000 0.766 44 E HN 0.375 8.887 8.360 0.351 0.059 0.507 45 F N 1.748 121.742 119.950 0.074 0.000 2.104 45 F HA -0.189 4.364 4.527 0.043 0.000 0.288 45 F C 0.903 176.757 175.800 0.090 0.000 1.107 45 F CA 2.206 60.231 58.000 0.042 0.000 1.208 45 F CB 0.508 39.498 39.000 -0.016 0.000 1.033 45 F HN 0.308 8.648 8.300 0.316 0.149 0.478 46 K N -0.760 119.616 120.400 -0.040 0.000 2.127 46 K HA -0.497 3.644 4.320 -0.297 0.000 0.208 46 K C 2.211 178.767 176.600 -0.074 0.000 1.047 46 K CA 3.381 59.586 56.287 -0.137 0.000 0.927 46 K CB -0.162 32.312 32.500 -0.042 0.000 0.716 46 K HN -0.604 7.759 8.250 0.187 0.000 0.450 47 R N -2.367 118.137 120.500 0.006 0.000 2.054 47 R HA -0.250 4.096 4.340 0.010 0.000 0.223 47 R C 2.332 178.652 176.300 0.033 0.000 1.176 47 R CA 2.938 59.060 56.100 0.037 0.000 0.934 47 R CB -0.152 30.204 30.300 0.094 0.000 0.828 47 R HN -0.518 7.764 8.270 0.047 0.017 0.441 48 F N 0.388 120.306 119.950 -0.052 0.000 2.440 48 F HA -0.321 4.170 4.527 -0.060 0.000 0.297 48 F C 0.312 176.038 175.800 -0.124 0.000 1.077 48 F CA 2.584 60.539 58.000 -0.073 0.000 1.462 48 F CB -0.000 38.964 39.000 -0.060 0.000 1.101 48 F HN -0.631 7.819 8.300 0.250 0.000 0.584 49 F N -0.990 118.764 119.950 -0.328 0.000 2.293 49 F HA 0.035 4.307 4.527 -0.425 0.000 0.272 49 F C 0.714 176.323 175.800 -0.318 0.000 1.053 49 F CA 2.127 59.868 58.000 -0.431 0.000 1.152 49 F CB 1.194 39.765 39.000 -0.716 0.000 1.119 49 F HN -0.459 7.711 8.300 -0.033 0.110 0.564 50 K N -2.955 117.438 120.400 -0.012 0.000 2.355 50 K HA 0.165 4.375 4.320 -0.184 0.000 0.198 50 K C -0.295 176.267 176.600 -0.063 0.000 1.039 50 K CA -0.869 55.384 56.287 -0.057 0.000 1.075 50 K CB 1.893 34.458 32.500 0.108 0.000 0.870 50 K HN -0.282 8.028 8.250 0.100 0.000 0.540 51 V N 2.208 122.088 119.914 -0.058 0.000 5.674 51 V HA -0.292 3.819 4.120 -0.016 0.000 0.156 51 V C -1.942 174.136 176.094 -0.028 0.000 0.726 51 V CA 0.324 62.601 62.300 -0.038 0.000 0.518 51 V CB -0.988 30.801 31.823 -0.056 0.000 0.181 51 V HN -0.414 7.661 8.190 -0.057 0.080 0.381 52 P HA 0.067 4.480 4.420 -0.012 0.000 0.306 52 P C -0.922 176.377 177.300 -0.002 0.000 1.301 52 P CA -0.184 62.913 63.100 -0.004 0.000 0.744 52 P CB 1.107 32.814 31.700 0.011 0.000 1.400 53 D N -2.584 117.817 120.400 0.001 0.000 2.954 53 D HA -0.086 4.556 4.640 0.004 0.000 0.266 53 D C 0.678 176.983 176.300 0.008 0.000 1.277 53 D CA 0.945 54.947 54.000 0.003 0.000 1.130 53 D CB -0.093 40.706 40.800 -0.001 0.000 1.440 53 D HN 0.099 8.470 8.370 0.003 0.000 0.427 54 N N -0.443 118.262 118.700 0.009 0.000 2.519 54 N HA -0.214 4.532 4.740 0.011 0.000 0.186 54 N C 0.835 176.355 175.510 0.016 0.000 1.062 54 N CA 1.343 54.400 53.050 0.012 0.000 0.910 54 N CB 0.104 38.598 38.487 0.012 0.000 0.958 54 N HN 0.214 8.598 8.380 0.006 0.000 0.445 55 E N -4.335 115.874 120.200 0.016 0.000 4.976 55 E HA -0.534 3.826 4.350 0.016 0.000 0.222 55 E C 0.291 176.905 176.600 0.024 0.000 0.944 55 E CA 2.729 59.140 56.400 0.018 0.000 1.778 55 E CB -1.528 28.183 29.700 0.018 0.000 1.790 55 E HN 0.568 8.868 8.360 0.014 0.068 0.404 56 E N -1.039 119.176 120.200 0.025 0.000 2.169 56 E HA -0.458 3.911 4.350 0.032 0.000 0.202 56 E C 0.722 177.349 176.600 0.045 0.000 1.016 56 E CA 2.658 59.078 56.400 0.033 0.000 0.817 56 E CB -0.185 29.533 29.700 0.030 0.000 0.736 56 E HN -0.030 8.177 8.360 0.022 0.167 0.462 57 A N -5.146 117.700 122.820 0.044 0.000 2.233 57 A HA -0.053 4.311 4.320 0.073 0.000 0.230 57 A C -0.325 177.312 177.584 0.088 0.000 1.347 57 A CA 0.308 52.383 52.037 0.065 0.000 1.087 57 A CB -1.387 17.641 19.000 0.047 0.000 0.871 57 A HN 0.356 8.514 8.150 0.033 0.012 0.519 58 T N 1.202 115.796 114.554 0.067 0.000 3.039 58 T HA -0.007 4.376 4.350 0.054 0.000 0.250 58 T C 1.562 176.298 174.700 0.061 0.000 1.052 58 T CA 2.674 64.803 62.100 0.049 0.000 1.125 58 T CB 0.341 69.214 68.868 0.009 0.000 0.908 58 T HN -0.000 8.108 8.240 0.055 0.164 0.473 59 Q N 2.468 122.311 119.800 0.071 0.000 2.096 59 Q HA -0.282 4.079 4.340 0.035 0.000 0.204 59 Q C 1.667 177.721 176.000 0.089 0.000 0.982 59 Q CA 3.505 59.347 55.803 0.065 0.000 0.850 59 Q CB -0.724 28.056 28.738 0.071 0.000 0.901 59 Q HN -0.555 7.757 8.270 0.070 0.000 0.422 60 Y N -0.840 119.469 120.300 0.016 0.000 2.089 60 Y HA -0.417 4.134 4.550 0.002 0.000 0.282 60 Y C 1.512 177.443 175.900 0.051 0.000 1.139 60 Y CA 3.359 61.471 58.100 0.021 0.000 1.123 60 Y CB -0.388 38.086 38.460 0.024 0.000 0.980 60 Y HN -0.072 8.352 8.280 0.240 0.000 0.493 61 V N -1.769 118.200 119.914 0.091 0.000 2.332 61 V HA -0.588 3.491 4.120 -0.068 0.000 0.248 61 V C 1.640 177.766 176.094 0.053 0.000 1.055 61 V CA 3.725 66.046 62.300 0.035 0.000 1.038 61 V CB -0.321 31.569 31.823 0.112 0.000 0.651 61 V HN -0.396 7.954 8.190 0.267 0.000 0.450 62 E N -0.848 119.380 120.200 0.047 0.000 2.187 62 E HA -0.513 3.874 4.350 0.062 0.000 0.199 62 E C 1.754 178.394 176.600 0.067 0.000 1.004 62 E CA 3.292 59.722 56.400 0.049 0.000 0.813 62 E CB -0.231 29.473 29.700 0.007 0.000 0.736 62 E HN 0.607 8.878 8.360 0.049 0.118 0.468 63 A N -1.161 121.642 122.820 -0.027 0.000 1.873 63 A HA -0.326 3.959 4.320 -0.058 0.000 0.215 63 A C 1.778 179.338 177.584 -0.040 0.000 1.186 63 A CA 3.326 55.314 52.037 -0.083 0.000 0.616 63 A CB -0.851 18.029 19.000 -0.199 0.000 0.823 63 A HN -0.448 7.534 8.150 -0.062 0.131 0.442 64 M N 0.029 119.613 119.600 -0.027 0.000 2.082 64 M HA -0.407 4.265 4.480 0.319 0.000 0.258 64 M C 1.475 177.905 176.300 0.217 0.000 1.071 64 M CA 3.499 58.896 55.300 0.161 0.000 1.103 64 M CB -0.166 32.501 32.600 0.112 0.000 1.307 64 M HN -0.792 7.332 8.290 -0.137 0.084 0.409 65 F N -1.297 118.648 119.950 -0.008 0.000 2.202 65 F HA -0.443 3.984 4.527 -0.167 0.000 0.301 65 F C 1.502 177.287 175.800 -0.025 0.000 1.082 65 F CA 3.565 61.507 58.000 -0.096 0.000 1.313 65 F CB -0.060 38.856 39.000 -0.141 0.000 1.024 65 F HN -0.453 8.010 8.300 0.272 0.000 0.495 66 R N 0.466 121.039 120.500 0.122 0.000 2.061 66 R HA -0.400 3.921 4.340 -0.032 0.000 0.230 66 R C 1.837 178.020 176.300 -0.195 0.000 1.140 66 R CA 2.874 58.958 56.100 -0.028 0.000 0.940 66 R CB 0.056 30.366 30.300 0.016 0.000 0.839 66 R HN -0.483 7.798 8.270 0.221 0.122 0.429 67 A N -2.170 120.518 122.820 -0.220 0.000 1.972 67 A HA -0.247 3.789 4.320 -0.474 0.000 0.219 67 A C 1.420 178.789 177.584 -0.358 0.000 1.169 67 A CA 2.832 54.586 52.037 -0.471 0.000 0.635 67 A CB 0.004 18.456 19.000 -0.915 0.000 0.810 67 A HN 0.284 8.232 8.150 -0.152 0.111 0.446 68 F N -3.945 115.980 119.950 -0.042 0.000 2.188 68 F HA -0.057 4.606 4.527 0.227 0.000 0.289 68 F C 0.223 175.869 175.800 -0.257 0.000 1.082 68 F CA 1.699 59.726 58.000 0.044 0.000 1.282 68 F CB 0.913 39.964 39.000 0.085 0.000 1.060 68 F HN 0.190 8.562 8.300 0.146 0.016 0.493 69 D N -1.314 118.868 120.400 -0.362 0.000 2.435 69 D HA 0.173 4.744 4.640 -0.396 -0.169 0.230 69 D C -0.270 175.750 176.300 -0.466 0.000 1.215 69 D CA -0.070 53.526 54.000 -0.675 0.000 0.947 69 D CB -0.551 39.112 40.800 -1.895 0.000 1.048 69 D HN 0.216 8.167 8.370 -0.470 0.136 0.512 70 T N 3.933 118.345 114.554 -0.237 0.000 3.004 70 T HA 0.184 4.436 4.350 -0.163 0.000 0.266 70 T C 0.402 175.038 174.700 -0.107 0.000 0.986 70 T CA -0.434 61.570 62.100 -0.160 0.000 0.902 70 T CB 0.972 69.757 68.868 -0.139 0.000 1.118 70 T HN -0.344 7.794 8.240 -0.170 0.000 0.522 71 N N 3.411 122.048 118.700 -0.106 0.000 2.182 71 N HA -0.292 4.412 4.740 -0.061 0.000 0.192 71 N C 0.633 176.108 175.510 -0.058 0.000 1.007 71 N CA 2.131 55.136 53.050 -0.074 0.000 0.873 71 N CB -0.018 38.419 38.487 -0.082 0.000 0.998 71 N HN 0.114 8.415 8.380 -0.131 0.000 0.436 72 G N -4.241 104.526 108.800 -0.055 0.000 2.138 72 G HA2 -0.340 3.611 3.960 -0.015 0.000 0.193 72 G HA3 -0.340 3.606 3.960 -0.024 0.000 0.193 72 G C -0.776 174.119 174.900 -0.009 0.000 0.998 72 G CA 0.218 45.303 45.100 -0.024 0.000 0.668 72 G HN 0.150 8.372 8.290 -0.075 0.023 0.516 73 D N -0.669 119.721 120.400 -0.016 0.000 2.369 73 D HA 0.026 4.666 4.640 -0.000 0.000 0.211 73 D C -0.844 175.470 176.300 0.023 0.000 1.077 73 D CA -0.865 53.130 54.000 -0.008 0.000 0.842 73 D CB 0.316 41.091 40.800 -0.041 0.000 0.947 73 D HN 0.021 8.370 8.370 -0.036 0.000 0.509 74 N N -4.242 114.502 118.700 0.073 0.000 2.922 74 N HA -0.284 4.620 4.740 0.274 0.000 0.231 74 N C -1.642 173.964 175.510 0.161 0.000 0.889 74 N CA 1.806 54.956 53.050 0.166 0.000 1.027 74 N CB -1.801 36.755 38.487 0.116 0.000 1.059 74 N HN 0.141 8.488 8.380 0.057 0.066 0.613 75 T N -4.984 109.575 114.554 0.009 0.000 2.918 75 T HA 0.267 4.458 4.350 -0.266 0.000 0.286 75 T C -1.075 173.573 174.700 -0.087 0.000 1.026 75 T CA -1.502 60.495 62.100 -0.173 0.000 1.031 75 T CB 2.202 70.872 68.868 -0.331 0.000 1.046 75 T HN -0.808 7.249 8.240 -0.008 0.179 0.479 76 I N 3.865 124.373 120.570 -0.103 0.000 2.439 76 I HA 0.141 4.438 4.170 -0.116 -0.197 0.283 76 I C -2.437 173.635 176.117 -0.076 0.000 1.023 76 I CA -1.372 59.873 61.300 -0.091 0.000 1.100 76 I CB 2.404 40.362 38.000 -0.070 0.000 1.238 76 I HN 0.046 8.137 8.210 -0.198 0.000 0.445 77 D N 10.077 130.449 120.400 -0.046 0.000 2.360 77 D HA 0.011 4.722 4.640 0.119 0.000 0.242 77 D C 0.185 176.570 176.300 0.141 0.000 1.184 77 D CA -1.073 52.967 54.000 0.067 0.000 0.930 77 D CB 2.112 42.934 40.800 0.035 0.000 1.161 77 D HN -0.392 8.081 8.370 -0.075 -0.149 0.447 78 F N 4.522 124.567 119.950 0.159 0.000 2.063 78 F HA -0.451 4.177 4.527 0.169 0.000 0.298 78 F C 0.919 176.859 175.800 0.233 0.000 1.105 78 F CA 3.992 62.141 58.000 0.248 0.000 1.215 78 F CB 0.382 39.646 39.000 0.440 0.000 0.972 78 F HN 0.559 9.160 8.300 0.502 0.000 0.483 79 L N -2.724 118.661 121.223 0.271 0.000 1.957 79 L HA -0.524 3.947 4.340 0.218 0.000 0.228 79 L C 2.371 179.187 176.870 -0.090 0.000 1.086 79 L CA 3.609 58.489 54.840 0.068 0.000 0.796 79 L CB -1.303 40.710 42.059 -0.077 0.000 0.900 79 L HN 0.102 8.560 8.230 0.380 0.000 0.439 80 E N -1.710 118.425 120.200 -0.107 0.000 2.082 80 E HA -0.530 3.716 4.350 -0.173 0.000 0.215 80 E C 2.017 178.383 176.600 -0.391 0.000 1.048 80 E CA 3.253 59.529 56.400 -0.206 0.000 0.869 80 E CB -0.482 29.112 29.700 -0.178 0.000 0.773 80 E HN -0.226 8.092 8.360 -0.069 0.000 0.466 81 Y N -0.456 119.572 120.300 -0.453 0.000 1.977 81 Y HA -0.519 3.651 4.550 -0.633 0.000 0.264 81 Y C 1.764 177.361 175.900 -0.505 0.000 1.167 81 Y CA 2.762 60.544 58.100 -0.530 0.000 1.102 81 Y CB -0.293 37.899 38.460 -0.447 0.000 0.948 81 Y HN -0.880 7.316 8.280 -0.139 0.000 0.489 82 V N -0.519 118.723 119.914 -1.120 0.000 2.277 82 V HA -0.684 2.567 4.120 -1.448 0.000 0.255 82 V C 1.917 177.669 176.094 -0.571 0.000 1.074 82 V CA 4.221 65.935 62.300 -0.977 0.000 1.058 82 V CB -0.681 30.891 31.823 -0.419 0.000 0.656 82 V HN -0.378 7.383 8.190 -0.715 0.000 0.449 83 A N -2.572 120.001 122.820 -0.412 0.000 1.927 83 A HA -0.421 3.805 4.320 -0.157 0.000 0.220 83 A C 1.887 179.214 177.584 -0.429 0.000 1.185 83 A CA 3.231 55.090 52.037 -0.296 0.000 0.639 83 A CB -1.011 17.865 19.000 -0.207 0.000 0.820 83 A HN -0.169 7.763 8.150 -0.365 -0.000 0.451 84 A N -1.659 120.657 122.820 -0.840 0.000 1.883 84 A HA -0.350 3.605 4.320 -0.608 0.000 0.217 84 A C 1.896 179.239 177.584 -0.402 0.000 1.186 84 A CA 2.819 54.347 52.037 -0.847 0.000 0.624 84 A CB -0.878 17.433 19.000 -1.148 0.000 0.822 84 A HN -0.118 7.344 8.150 -0.980 0.100 0.444 85 L N -1.943 119.010 121.223 -0.450 0.000 1.951 85 L HA -0.540 3.703 4.340 -0.160 0.000 0.222 85 L C 2.457 179.243 176.870 -0.140 0.000 1.078 85 L CA 3.016 57.703 54.840 -0.256 0.000 0.778 85 L CB -0.835 41.037 42.059 -0.311 0.000 0.893 85 L HN -0.784 6.963 8.230 -0.672 0.080 0.436 86 N N -2.205 116.419 118.700 -0.127 0.000 2.247 86 N HA -0.411 4.311 4.740 -0.031 0.000 0.189 86 N C 1.742 177.199 175.510 -0.088 0.000 1.009 86 N CA 2.859 55.866 53.050 -0.072 0.000 0.872 86 N CB -0.711 37.736 38.487 -0.067 0.000 0.980 86 N HN -0.370 7.912 8.380 -0.164 0.000 0.436 87 L N -3.864 117.282 121.223 -0.128 0.000 2.478 87 L HA -0.096 4.169 4.340 -0.124 0.000 0.223 87 L C -0.258 176.544 176.870 -0.114 0.000 1.140 87 L CA 1.050 55.807 54.840 -0.138 0.000 0.842 87 L CB -0.822 41.127 42.059 -0.183 0.000 0.953 87 L HN -0.418 7.566 8.230 -0.162 0.149 0.452 88 V N -4.816 115.046 119.914 -0.088 0.000 3.629 88 V HA 0.183 4.289 4.120 -0.024 0.000 0.194 88 V C 1.763 177.860 176.094 0.006 0.000 1.343 88 V CA 0.271 62.550 62.300 -0.037 0.000 1.292 88 V CB 1.030 32.830 31.823 -0.037 0.000 1.287 88 V HN -0.082 7.829 8.190 -0.096 0.222 0.554 89 L N 0.564 121.793 121.223 0.011 0.000 1.952 89 L HA -0.396 3.980 4.340 0.060 0.000 0.231 89 L C 0.158 177.049 176.870 0.035 0.000 1.088 89 L CA 2.775 57.638 54.840 0.040 0.000 0.802 89 L CB 0.002 42.086 42.059 0.043 0.000 0.903 89 L HN -0.289 7.855 8.230 -0.014 0.077 0.439 90 R N -3.906 116.611 120.500 0.028 0.000 2.822 90 R HA -0.022 4.337 4.340 0.033 0.000 0.277 90 R C 0.293 176.603 176.300 0.017 0.000 1.102 90 R CA -0.222 55.893 56.100 0.026 0.000 1.207 90 R CB 0.244 30.557 30.300 0.022 0.000 1.139 90 R HN -0.342 7.942 8.270 0.024 0.000 0.557 91 G N -1.124 107.686 108.800 0.018 0.000 2.257 91 G HA2 -0.219 3.754 3.960 0.022 0.000 0.235 91 G HA3 -0.219 3.751 3.960 0.017 0.000 0.235 91 G C -0.625 174.285 174.900 0.016 0.000 1.225 91 G CA 0.489 45.600 45.100 0.018 0.000 0.878 91 G HN 0.084 8.385 8.290 0.018 0.000 0.505 92 T N 2.159 116.727 114.554 0.024 0.000 2.758 92 T HA 0.152 4.512 4.350 0.016 0.000 0.285 92 T C -0.031 174.698 174.700 0.047 0.000 0.981 92 T CA -0.209 61.909 62.100 0.030 0.000 0.965 92 T CB 1.282 70.172 68.868 0.036 0.000 0.927 92 T HN -0.151 8.106 8.240 0.028 0.000 0.448 93 L N 5.586 126.844 121.223 0.058 0.000 2.682 93 L HA 0.120 4.492 4.340 0.053 0.000 0.209 93 L C 1.562 178.490 176.870 0.097 0.000 1.195 93 L CA -0.375 54.508 54.840 0.070 0.000 0.869 93 L CB 1.079 43.182 42.059 0.075 0.000 1.599 93 L HN 0.254 8.514 8.230 0.050 0.000 0.518 94 E N -1.613 118.639 120.200 0.087 0.000 2.333 94 E HA -0.442 3.953 4.350 0.073 0.000 0.198 94 E C 1.371 178.040 176.600 0.114 0.000 1.007 94 E CA 2.320 58.768 56.400 0.080 0.000 0.845 94 E CB -0.502 29.224 29.700 0.044 0.000 0.766 94 E HN 0.378 8.781 8.360 0.072 0.000 0.507 95 H N 1.037 120.140 119.070 0.056 0.000 2.501 95 H HA -0.283 4.313 4.556 0.068 0.000 0.296 95 H C 1.680 177.079 175.328 0.118 0.000 1.115 95 H CA 2.972 59.064 56.048 0.073 0.000 1.242 95 H CB -0.188 29.608 29.762 0.058 0.000 1.363 95 H HN 0.142 8.498 8.280 0.210 0.050 0.537 96 K N -0.213 120.333 120.400 0.245 0.000 2.097 96 K HA -0.285 4.231 4.320 0.325 0.000 0.206 96 K C 2.058 178.817 176.600 0.264 0.000 1.049 96 K CA 2.383 58.826 56.287 0.260 0.000 0.933 96 K CB -0.703 31.914 32.500 0.195 0.000 0.717 96 K HN -0.644 7.661 8.250 0.205 0.068 0.442 97 L N -3.408 117.938 121.223 0.205 0.000 2.089 97 L HA -0.488 4.098 4.340 0.410 0.000 0.213 97 L C 1.900 178.935 176.870 0.274 0.000 1.079 97 L CA 3.406 58.416 54.840 0.283 0.000 0.758 97 L CB -0.750 41.405 42.059 0.160 0.000 0.891 97 L HN 0.559 8.769 8.230 0.154 0.112 0.433 98 K N -0.917 119.543 120.400 0.100 0.000 2.005 98 K HA -0.272 4.026 4.320 -0.038 0.000 0.206 98 K C 2.006 178.666 176.600 0.101 0.000 1.044 98 K CA 2.814 59.103 56.287 0.002 0.000 0.942 98 K CB -0.090 32.290 32.500 -0.201 0.000 0.727 98 K HN -0.781 7.376 8.250 0.040 0.117 0.439 99 W N -0.529 120.764 121.300 -0.012 0.000 2.317 99 W HA -0.352 4.247 4.660 -0.102 0.000 0.318 99 W C 2.074 178.577 176.519 -0.026 0.000 1.227 99 W CA 4.433 61.748 57.345 -0.050 0.000 1.269 99 W CB -0.118 29.306 29.460 -0.060 0.000 1.155 99 W HN -0.424 7.927 8.180 0.287 0.000 0.484 100 T N 0.299 115.044 114.554 0.318 0.000 2.684 100 T HA -0.504 3.945 4.350 0.166 0.000 0.267 100 T C 1.777 176.485 174.700 0.013 0.000 1.036 100 T CA 4.506 66.726 62.100 0.200 0.000 1.148 100 T CB -0.363 68.701 68.868 0.327 0.000 0.863 100 T HN 0.402 8.790 8.240 0.429 0.109 0.436 101 F N 0.263 120.082 119.950 -0.218 0.000 2.287 101 F HA -0.319 3.727 4.527 -0.801 0.000 0.301 101 F C 0.977 176.578 175.800 -0.331 0.000 1.069 101 F CA 2.921 60.620 58.000 -0.502 0.000 1.372 101 F CB 0.060 38.761 39.000 -0.498 0.000 1.056 101 F HN -0.594 7.815 8.300 0.181 0.000 0.523 102 K N -1.094 119.204 120.400 -0.170 0.000 2.098 102 K HA -0.267 3.899 4.320 -0.258 0.000 0.203 102 K C 2.010 178.302 176.600 -0.514 0.000 1.051 102 K CA 2.571 58.646 56.287 -0.354 0.000 0.957 102 K CB 0.202 32.397 32.500 -0.509 0.000 0.738 102 K HN -0.380 7.613 8.250 -0.116 0.188 0.447 103 I N -0.739 119.462 120.570 -0.614 0.000 2.236 103 I HA -0.421 3.358 4.170 -0.653 0.000 0.249 103 I C 1.207 177.030 176.117 -0.489 0.000 1.102 103 I CA 3.365 64.311 61.300 -0.590 0.000 1.365 103 I CB -0.207 37.491 38.000 -0.502 0.000 1.051 103 I HN -0.276 7.466 8.210 -0.635 0.086 0.420 104 Y N -5.224 114.815 120.300 -0.433 0.000 2.263 104 Y HA -0.268 4.119 4.550 -0.272 0.000 0.292 104 Y C 0.542 176.210 175.900 -0.388 0.000 1.130 104 Y CA 1.683 59.552 58.100 -0.385 0.000 1.179 104 Y CB 0.402 38.578 38.460 -0.473 0.000 0.998 104 Y HN -0.892 7.263 8.280 -0.189 0.011 0.532 105 D N -1.662 118.530 120.400 -0.347 0.000 2.483 105 D HA -0.190 4.505 4.640 -0.277 -0.221 0.261 105 D C 0.432 176.605 176.300 -0.212 0.000 1.318 105 D CA 0.808 54.628 54.000 -0.300 0.000 1.201 105 D CB -1.035 39.579 40.800 -0.309 0.000 1.127 105 D HN -0.676 7.318 8.370 -0.447 0.107 0.519 106 K N 2.813 123.117 120.400 -0.161 0.000 2.323 106 K HA -0.148 4.085 4.320 -0.144 0.000 0.197 106 K C -0.255 176.292 176.600 -0.089 0.000 1.043 106 K CA 1.182 57.393 56.287 -0.126 0.000 0.997 106 K CB 0.871 33.310 32.500 -0.102 0.000 0.807 106 K HN 0.173 8.319 8.250 -0.144 0.017 0.497 107 D N -4.496 115.855 120.400 -0.081 0.000 2.349 107 D HA -0.058 4.554 4.640 -0.047 0.000 0.214 107 D C -0.310 175.957 176.300 -0.054 0.000 1.063 107 D CA -0.516 53.451 54.000 -0.055 0.000 0.847 107 D CB -0.391 40.384 40.800 -0.041 0.000 0.933 107 D HN -0.379 7.904 8.370 -0.093 0.031 0.513 108 R N -2.330 118.127 120.500 -0.072 0.000 2.564 108 R HA -0.400 4.227 4.340 -0.067 -0.327 0.298 108 R C -0.834 175.446 176.300 -0.034 0.000 1.011 108 R CA 0.754 56.819 56.100 -0.058 0.000 0.867 108 R CB -2.607 27.660 30.300 -0.055 0.000 2.352 108 R HN -0.208 8.065 8.270 -0.096 -0.061 0.511 109 N N 0.810 119.497 118.700 -0.022 0.000 1.952 109 N HA 0.046 4.782 4.740 -0.006 0.000 0.231 109 N C 0.333 175.854 175.510 0.019 0.000 1.378 109 N CA -0.026 53.022 53.050 -0.004 0.000 0.828 109 N CB 1.531 40.015 38.487 -0.005 0.000 1.097 109 N HN -0.081 8.432 8.380 -0.026 -0.149 0.476 110 G N 0.711 109.538 108.800 0.044 0.000 2.176 110 G HA2 -0.329 3.716 3.960 0.141 0.000 0.232 110 G HA3 -0.329 3.666 3.960 0.057 0.000 0.232 110 G C -1.351 173.642 174.900 0.155 0.000 0.986 110 G CA -0.212 44.947 45.100 0.098 0.000 0.643 110 G HN 0.454 8.761 8.290 0.029 0.000 0.522 111 C N -2.563 116.800 119.300 0.105 0.000 2.686 111 C HA 0.348 4.920 4.460 0.187 0.000 0.318 111 C C -1.532 173.463 174.990 0.009 0.000 1.160 111 C CA -2.519 56.560 59.018 0.103 0.000 1.396 111 C CB 2.911 30.693 27.740 0.070 0.000 1.924 111 C HN -0.408 8.122 8.230 0.050 -0.271 0.471 112 I N 3.529 124.083 120.570 -0.027 0.000 2.440 112 I HA 0.013 4.511 4.170 -0.159 -0.423 0.294 112 I C -1.454 174.695 176.117 0.054 0.000 0.995 112 I CA 0.127 61.354 61.300 -0.122 0.000 1.306 112 I CB 2.235 40.042 38.000 -0.322 0.000 1.407 112 I HN 0.020 8.263 8.210 0.056 0.000 0.501 113 D N 3.857 124.311 120.400 0.091 0.000 2.581 113 D HA 0.224 5.118 4.640 0.424 0.000 0.232 113 D C -0.011 176.410 176.300 0.203 0.000 1.143 113 D CA -1.941 52.187 54.000 0.214 0.000 0.881 113 D CB 3.472 44.323 40.800 0.084 0.000 1.500 113 D HN -0.025 8.505 8.370 0.021 -0.148 0.458 114 R N 0.572 121.149 120.500 0.129 0.000 2.332 114 R HA -0.456 4.008 4.340 0.208 0.000 0.239 114 R C 0.996 177.327 176.300 0.052 0.000 1.160 114 R CA 3.296 59.426 56.100 0.050 0.000 1.020 114 R CB -0.778 29.411 30.300 -0.186 0.000 0.859 114 R HN 0.524 8.787 8.270 -0.011 0.000 0.478 115 Q N -1.293 118.530 119.800 0.038 0.000 2.049 115 Q HA -0.179 4.173 4.340 0.020 0.000 0.198 115 Q C 2.570 178.597 176.000 0.044 0.000 0.971 115 Q CA 3.206 59.024 55.803 0.026 0.000 0.833 115 Q CB -0.641 28.102 28.738 0.008 0.000 0.896 115 Q HN 0.354 8.699 8.270 0.038 -0.052 0.434 116 E N 0.444 120.675 120.200 0.052 0.000 2.152 116 E HA -0.269 4.096 4.350 0.026 0.000 0.192 116 E C 2.411 179.115 176.600 0.173 0.000 0.983 116 E CA 2.965 59.404 56.400 0.065 0.000 0.818 116 E CB -0.245 29.471 29.700 0.027 0.000 0.758 116 E HN -0.067 8.234 8.360 0.049 0.088 0.467 117 L N -0.508 120.824 121.223 0.181 0.000 1.994 117 L HA -0.270 4.296 4.340 0.375 0.000 0.208 117 L C 2.063 179.053 176.870 0.200 0.000 1.071 117 L CA 3.252 58.232 54.840 0.234 0.000 0.745 117 L CB -0.810 41.356 42.059 0.180 0.000 0.892 117 L HN -0.501 7.797 8.230 0.139 0.016 0.431 118 L N -2.129 119.175 121.223 0.136 0.000 2.191 118 L HA -0.381 4.042 4.340 0.139 0.000 0.212 118 L C 2.307 179.233 176.870 0.094 0.000 1.103 118 L CA 2.809 57.717 54.840 0.114 0.000 0.769 118 L CB -0.171 41.934 42.059 0.077 0.000 0.908 118 L HN -0.541 7.759 8.230 0.117 0.000 0.438 119 D N 0.440 120.881 120.400 0.068 0.000 2.075 119 D HA -0.274 4.382 4.640 0.027 0.000 0.196 119 D C 2.217 178.515 176.300 -0.003 0.000 0.985 119 D CA 3.287 57.301 54.000 0.023 0.000 0.834 119 D CB 0.359 41.154 40.800 -0.009 0.000 0.987 119 D HN -0.638 7.658 8.370 0.076 0.120 0.452 120 I N -0.853 119.681 120.570 -0.061 0.000 2.113 120 I HA -0.323 3.738 4.170 -0.182 0.000 0.238 120 I C 2.732 178.826 176.117 -0.038 0.000 1.070 120 I CA 2.178 63.369 61.300 -0.181 0.000 1.332 120 I CB -1.175 36.439 38.000 -0.643 0.000 1.044 120 I HN -0.212 7.979 8.210 -0.032 0.000 0.402 121 V N -1.974 117.976 119.914 0.059 0.000 2.278 121 V HA -0.541 3.579 4.120 -0.000 0.000 0.251 121 V C 1.405 177.573 176.094 0.123 0.000 1.062 121 V CA 4.351 66.693 62.300 0.070 0.000 1.038 121 V CB -1.339 30.566 31.823 0.135 0.000 0.646 121 V HN -0.391 7.878 8.190 0.131 0.000 0.447 122 E N -1.343 118.967 120.200 0.183 0.000 2.130 122 E HA -0.442 4.142 4.350 0.390 0.000 0.196 122 E C 2.154 178.861 176.600 0.179 0.000 0.998 122 E CA 3.426 59.964 56.400 0.229 0.000 0.806 122 E CB -0.517 29.260 29.700 0.128 0.000 0.738 122 E HN -0.290 8.163 8.360 0.147 -0.005 0.459 123 S N -0.221 115.539 115.700 0.100 0.000 2.355 123 S HA -0.261 4.265 4.470 0.093 0.000 0.222 123 S C 1.979 176.642 174.600 0.104 0.000 1.031 123 S CA 3.729 61.983 58.200 0.089 0.000 0.993 123 S CB -0.099 63.130 63.200 0.049 0.000 0.859 123 S HN -0.077 8.137 8.310 0.067 0.137 0.453 124 I N 2.590 123.195 120.570 0.059 0.000 2.423 124 I HA -0.408 3.778 4.170 0.026 0.000 0.254 124 I C 1.615 177.700 176.117 -0.054 0.000 1.151 124 I CA 3.841 65.130 61.300 -0.018 0.000 1.421 124 I CB -0.325 37.609 38.000 -0.109 0.000 1.079 124 I HN -0.022 8.134 8.210 0.039 0.078 0.431 125 Y N -0.502 119.816 120.300 0.030 0.000 2.163 125 Y HA -0.515 4.047 4.550 0.019 0.000 0.288 125 Y C 2.013 177.924 175.900 0.018 0.000 1.136 125 Y CA 3.784 61.898 58.100 0.023 0.000 1.147 125 Y CB -0.550 37.927 38.460 0.030 0.000 0.987 125 Y HN -0.057 8.165 8.280 0.124 0.133 0.509 126 K N -1.682 118.838 120.400 0.200 0.000 2.152 126 K HA -0.377 4.008 4.320 0.108 0.000 0.206 126 K C 2.259 178.907 176.600 0.080 0.000 1.048 126 K CA 2.774 59.131 56.287 0.117 0.000 0.933 126 K CB -0.710 31.846 32.500 0.093 0.000 0.721 126 K HN -0.663 7.714 8.250 0.212 0.000 0.447 127 L N -0.156 121.105 121.223 0.063 0.000 1.961 127 L HA -0.221 4.132 4.340 0.022 0.000 0.209 127 L C 1.819 178.686 176.870 -0.004 0.000 1.075 127 L CA 2.891 57.737 54.840 0.010 0.000 0.749 127 L CB -0.676 41.346 42.059 -0.063 0.000 0.890 127 L HN -0.326 7.829 8.230 0.075 0.120 0.433 128 K N -2.488 117.903 120.400 -0.016 0.000 2.442 128 K HA -0.399 3.904 4.320 -0.028 0.000 0.200 128 K C 1.407 178.031 176.600 0.040 0.000 1.045 128 K CA 2.681 58.966 56.287 -0.003 0.000 0.937 128 K CB -0.250 32.245 32.500 -0.008 0.000 0.757 128 K HN -0.510 7.720 8.250 -0.034 0.000 0.474 129 K N -3.113 117.325 120.400 0.064 0.000 2.098 129 K HA -0.123 4.239 4.320 0.069 0.000 0.203 129 K C 0.964 177.587 176.600 0.038 0.000 1.051 129 K CA 2.224 58.549 56.287 0.065 0.000 0.957 129 K CB 0.329 32.877 32.500 0.079 0.000 0.738 129 K HN -0.524 7.647 8.250 0.069 0.120 0.447 130 A N -2.079 120.759 122.820 0.031 0.000 2.302 130 A HA 0.049 4.381 4.320 0.020 0.000 0.219 130 A C 0.139 177.729 177.584 0.010 0.000 1.243 130 A CA 0.153 52.202 52.037 0.020 0.000 0.856 130 A CB -0.852 18.161 19.000 0.022 0.000 0.893 130 A HN -0.452 7.638 8.150 0.035 0.080 0.491 131 C N -1.211 118.093 119.300 0.007 0.000 2.186 131 C HA 0.008 4.463 4.460 -0.008 0.000 0.297 131 C C 0.090 175.080 174.990 0.000 0.000 2.822 131 C CA -0.529 58.486 59.018 -0.004 0.000 1.799 131 C CB 1.575 29.307 27.740 -0.014 0.000 2.015 131 C HN -0.414 7.617 8.230 0.013 0.207 0.418 132 S N 0.310 116.009 115.700 -0.003 0.000 2.677 132 S HA -0.071 4.400 4.470 0.001 0.000 0.246 132 S C -1.378 173.225 174.600 0.005 0.000 1.005 132 S CA 0.745 58.945 58.200 -0.000 0.000 1.062 132 S CB -0.613 62.585 63.200 -0.004 0.000 0.778 132 S HN 0.174 8.479 8.310 -0.008 0.000 0.461 133 V N -2.295 117.625 119.914 0.010 0.000 3.225 133 V HA 0.088 4.217 4.120 0.015 0.000 0.293 133 V C -2.311 173.798 176.094 0.024 0.000 1.405 133 V CA -0.902 61.408 62.300 0.016 0.000 1.038 133 V CB 2.522 34.355 31.823 0.017 0.000 1.123 133 V HN -0.832 7.250 8.190 0.010 0.114 0.447 134 E N 2.817 123.034 120.200 0.027 0.000 2.511 134 E HA 0.104 4.476 4.350 0.036 0.000 0.209 134 E C 0.027 176.653 176.600 0.044 0.000 0.986 134 E CA -0.152 56.268 56.400 0.033 0.000 0.974 134 E CB 0.521 30.235 29.700 0.024 0.000 1.030 134 E HN 0.247 8.622 8.360 0.024 0.000 0.490 135 V N 0.947 120.888 119.914 0.044 0.000 3.919 135 V HA -0.431 3.718 4.120 0.048 0.000 0.203 135 V C -1.770 174.356 176.094 0.053 0.000 0.540 135 V CA 1.014 63.347 62.300 0.055 0.000 0.950 135 V CB -0.636 31.235 31.823 0.079 0.000 1.024 135 V HN -0.452 7.760 8.190 0.037 0.000 1.096 136 E N -6.806 113.417 120.200 0.038 0.000 0.794 136 E HA -0.411 3.953 4.350 0.024 0.000 0.205 136 E C -0.153 176.466 176.600 0.032 0.000 0.535 136 E CA 0.666 57.083 56.400 0.029 0.000 0.544 136 E CB -2.474 27.239 29.700 0.022 0.000 1.012 136 E HN -0.038 8.301 8.360 0.033 0.042 0.248 137 A N 3.480 126.321 122.820 0.035 0.000 1.853 137 A HA -0.496 3.873 4.320 0.063 -0.012 0.255 137 A C 0.915 178.517 177.584 0.030 0.000 2.273 137 A CA 2.954 55.013 52.037 0.036 0.000 0.797 137 A CB -0.262 18.740 19.000 0.002 0.000 0.844 137 A HN 0.286 8.461 8.150 0.036 -0.003 0.520 138 E N -1.787 118.423 120.200 0.017 0.000 1.928 138 E HA -0.225 4.134 4.350 0.014 0.000 0.215 138 E C 0.689 177.300 176.600 0.019 0.000 0.926 138 E CA 1.252 57.660 56.400 0.014 0.000 0.951 138 E CB -0.307 29.397 29.700 0.008 0.000 0.826 138 E HN -0.165 8.206 8.360 0.010 -0.005 0.587 139 Q N 1.142 120.951 119.800 0.015 0.000 2.430 139 Q HA -0.255 4.093 4.340 0.014 0.000 0.263 139 Q C -0.453 175.559 176.000 0.021 0.000 1.319 139 Q CA 1.788 57.600 55.803 0.015 0.000 0.926 139 Q CB -0.851 27.894 28.738 0.012 0.000 1.522 139 Q HN -0.007 8.270 8.270 0.012 0.000 0.506 140 Q N 1.331 121.146 119.800 0.025 0.000 1.560 140 Q HA 0.095 4.452 4.340 0.028 0.000 0.150 140 Q C -0.530 175.490 176.000 0.034 0.000 0.740 140 Q CA 0.318 56.140 55.803 0.032 0.000 0.722 140 Q CB 1.546 30.309 28.738 0.042 0.000 1.186 140 Q HN 0.433 8.708 8.270 0.023 0.008 0.354 141 G N -0.233 108.584 108.800 0.028 0.000 2.263 141 G HA2 -0.220 3.749 3.960 0.015 0.000 0.207 141 G HA3 -0.220 3.758 3.960 0.030 0.000 0.207 141 G C -1.056 173.859 174.900 0.024 0.000 1.072 141 G CA 0.088 45.202 45.100 0.024 0.000 0.800 141 G HN -0.467 7.838 8.290 0.024 0.000 0.491 142 K N -0.726 119.687 120.400 0.022 0.000 6.691 142 K HA -0.331 3.999 4.320 0.017 0.000 0.741 142 K C -0.616 176.004 176.600 0.034 0.000 2.096 142 K CA 0.438 56.737 56.287 0.021 0.000 1.671 142 K CB -0.389 32.118 32.500 0.012 0.000 1.891 142 K HN -0.067 8.195 8.250 0.020 0.000 0.314 143 L N 0.150 121.392 121.223 0.033 0.000 2.543 143 L HA 0.179 4.558 4.340 0.065 0.000 0.231 143 L C -0.696 176.197 176.870 0.040 0.000 1.194 143 L CA 0.070 54.935 54.840 0.042 0.000 0.823 143 L CB 0.756 42.830 42.059 0.023 0.000 1.374 143 L HN -0.312 7.932 8.230 0.024 0.000 0.507 144 L N -5.903 115.345 121.223 0.042 0.000 2.485 144 L HA 0.413 4.771 4.340 0.031 0.000 0.245 144 L C -0.532 176.348 176.870 0.017 0.000 1.137 144 L CA -1.819 53.046 54.840 0.041 0.000 0.954 144 L CB 0.921 43.026 42.059 0.077 0.000 1.560 144 L HN -0.214 8.040 8.230 0.040 0.000 0.403 145 T N -3.615 110.953 114.554 0.023 0.000 2.922 145 T HA 0.348 4.686 4.350 -0.021 0.000 0.285 145 T C -0.377 174.332 174.700 0.014 0.000 1.005 145 T CA -3.020 59.082 62.100 0.004 0.000 1.061 145 T CB -0.037 68.837 68.868 0.010 0.000 1.007 145 T HN -0.126 8.136 8.240 0.037 0.000 0.502 146 P HA -0.162 4.251 4.420 -0.011 0.000 0.220 146 P C 0.562 177.904 177.300 0.070 0.000 1.144 146 P CA 2.036 65.137 63.100 0.002 0.000 0.800 146 P CB -0.133 31.548 31.700 -0.031 0.000 0.772 147 E N -5.201 115.029 120.200 0.050 0.000 2.400 147 E HA -0.170 4.220 4.350 0.067 0.000 0.195 147 E C 1.632 178.275 176.600 0.072 0.000 1.012 147 E CA 1.951 58.385 56.400 0.056 0.000 0.875 147 E CB -1.506 28.211 29.700 0.028 0.000 0.859 147 E HN 0.493 8.823 8.360 0.029 0.047 0.498 148 E N 1.093 121.339 120.200 0.077 0.000 2.012 148 E HA -0.334 4.059 4.350 0.073 0.000 0.197 148 E C 2.156 178.833 176.600 0.129 0.000 1.007 148 E CA 3.318 59.772 56.400 0.090 0.000 0.816 148 E CB -0.142 29.610 29.700 0.087 0.000 0.762 148 E HN -0.222 8.010 8.360 0.066 0.168 0.451 149 V N -3.421 116.594 119.914 0.167 0.000 2.317 149 V HA -0.435 3.818 4.120 0.222 0.000 0.251 149 V C 1.909 178.106 176.094 0.173 0.000 1.065 149 V CA 3.568 65.988 62.300 0.200 0.000 1.049 149 V CB -1.507 30.460 31.823 0.240 0.000 0.651 149 V HN -0.703 7.589 8.190 0.171 0.000 0.450 150 V N 1.442 121.450 119.914 0.158 0.000 2.287 150 V HA -0.529 3.691 4.120 0.165 0.000 0.248 150 V C 1.807 178.002 176.094 0.169 0.000 1.053 150 V CA 4.555 66.948 62.300 0.155 0.000 1.027 150 V CB -0.390 31.508 31.823 0.125 0.000 0.646 150 V HN -0.432 7.846 8.190 0.154 0.005 0.447 151 D N -1.725 118.750 120.400 0.125 0.000 2.310 151 D HA -0.240 4.467 4.640 0.112 0.000 0.212 151 D C 2.466 178.861 176.300 0.158 0.000 0.965 151 D CA 3.123 57.193 54.000 0.116 0.000 0.879 151 D CB 0.175 41.012 40.800 0.061 0.000 0.921 151 D HN -0.384 7.981 8.370 0.105 0.067 0.510 152 R N -0.135 120.463 120.500 0.163 0.000 2.080 152 R HA -0.047 4.383 4.340 0.150 0.000 0.222 152 R C 2.196 178.604 176.300 0.180 0.000 1.107 152 R CA 2.388 58.592 56.100 0.173 0.000 0.980 152 R CB -0.234 30.191 30.300 0.207 0.000 0.879 152 R HN -0.333 7.844 8.270 0.161 0.189 0.439 153 I N -0.479 120.194 120.570 0.172 0.000 2.546 153 I HA -0.393 3.840 4.170 0.105 0.000 0.255 153 I C 1.346 177.524 176.117 0.102 0.000 1.163 153 I CA 3.735 65.105 61.300 0.117 0.000 1.457 153 I CB 0.099 38.144 38.000 0.075 0.000 1.092 153 I HN 0.011 8.327 8.210 0.176 0.000 0.434 154 F N 0.673 120.646 119.950 0.038 0.000 2.118 154 F HA -0.296 4.245 4.527 0.023 0.000 0.293 154 F C 1.283 177.103 175.800 0.034 0.000 1.102 154 F CA 4.534 62.551 58.000 0.029 0.000 1.247 154 F CB 0.665 39.679 39.000 0.023 0.000 1.017 154 F HN -0.287 8.169 8.300 0.306 0.027 0.475 155 L N -1.368 120.051 121.223 0.326 0.000 1.989 155 L HA -0.393 4.099 4.340 0.254 0.000 0.211 155 L C 1.666 178.602 176.870 0.110 0.000 1.071 155 L CA 3.112 58.077 54.840 0.208 0.000 0.749 155 L CB -0.956 41.193 42.059 0.150 0.000 0.890 155 L HN -0.706 7.717 8.230 0.322 0.000 0.431 156 L N -4.390 116.889 121.223 0.093 0.000 1.989 156 L HA -0.307 4.065 4.340 0.053 0.000 0.211 156 L C 2.043 178.917 176.870 0.008 0.000 1.071 156 L CA 2.704 57.577 54.840 0.056 0.000 0.749 156 L CB -0.127 41.980 42.059 0.081 0.000 0.890 156 L HN -0.642 7.660 8.230 0.120 0.000 0.431 157 V N -5.147 114.751 119.914 -0.027 0.000 2.469 157 V HA -0.295 3.768 4.120 -0.095 0.000 0.251 157 V C 0.832 176.867 176.094 -0.100 0.000 1.064 157 V CA 2.383 64.627 62.300 -0.094 0.000 1.066 157 V CB -0.284 31.456 31.823 -0.138 0.000 0.667 157 V HN -0.723 7.462 8.190 -0.007 0.000 0.461 158 D N -2.015 118.332 120.400 -0.089 0.000 2.529 158 D HA -0.022 4.577 4.640 -0.068 0.000 0.273 158 D C -1.099 175.209 176.300 0.014 0.000 1.197 158 D CA -0.273 53.699 54.000 -0.046 0.000 1.070 158 D CB 2.294 43.092 40.800 -0.005 0.000 1.134 158 D HN -0.300 7.828 8.370 -0.067 0.202 0.590 159 E N -2.034 118.186 120.200 0.034 0.000 1.845 159 E HA -0.035 4.341 4.350 0.044 0.000 0.211 159 E C -0.288 176.335 176.600 0.039 0.000 1.033 159 E CA 1.135 57.556 56.400 0.034 0.000 1.310 159 E CB 0.965 30.674 29.700 0.014 0.000 4.050 159 E HN 0.336 8.720 8.360 0.040 0.000 0.920 160 N N -0.755 117.968 118.700 0.039 0.000 2.446 160 N HA -0.072 4.686 4.740 0.030 0.000 0.179 160 N C 1.738 177.280 175.510 0.053 0.000 1.054 160 N CA 0.005 53.078 53.050 0.038 0.000 0.905 160 N CB -0.200 38.306 38.487 0.031 0.000 0.973 160 N HN -0.102 8.348 8.380 0.035 -0.049 0.448 161 G N -0.428 108.420 108.800 0.081 0.000 2.168 161 G HA2 -0.370 3.672 3.960 0.137 0.000 0.257 161 G HA3 -0.370 3.632 3.960 0.070 0.000 0.257 161 G C 0.014 174.966 174.900 0.087 0.000 0.997 161 G CA 0.908 46.065 45.100 0.095 0.000 0.708 161 G HN 0.237 8.936 8.290 0.090 -0.355 0.520 162 D N -0.655 119.796 120.400 0.086 0.000 2.228 162 D HA -0.316 4.355 4.640 0.052 0.000 0.203 162 D C 1.613 177.964 176.300 0.085 0.000 0.988 162 D CA 1.137 55.180 54.000 0.072 0.000 0.864 162 D CB 0.114 40.953 40.800 0.066 0.000 0.928 162 D HN -0.454 8.214 8.370 0.084 -0.247 0.469 163 G N -1.157 107.724 108.800 0.135 0.000 2.159 163 G HA2 -0.374 3.646 3.960 0.100 0.000 0.227 163 G HA3 -0.374 3.624 3.960 0.064 0.000 0.227 163 G C -1.611 173.399 174.900 0.184 0.000 0.986 163 G CA -0.455 44.717 45.100 0.120 0.000 0.651 163 G HN 0.492 8.852 8.290 0.179 0.038 0.523 164 Q N -0.953 118.979 119.800 0.220 0.000 2.289 164 Q HA 0.101 4.594 4.340 0.255 0.000 0.270 164 Q C -1.812 174.282 176.000 0.156 0.000 1.038 164 Q CA -0.857 55.068 55.803 0.204 0.000 0.812 164 Q CB 3.678 32.482 28.738 0.110 0.000 1.300 164 Q HN -0.168 8.709 8.270 0.192 -0.492 0.427 165 L N 6.781 128.075 121.223 0.118 0.000 2.315 165 L HA 0.426 4.881 4.340 -0.100 -0.175 0.278 165 L C -1.482 175.426 176.870 0.063 0.000 1.088 165 L CA -1.383 53.421 54.840 -0.059 0.000 0.899 165 L CB 0.654 42.525 42.059 -0.314 0.000 1.277 165 L HN -0.003 8.346 8.230 0.200 0.000 0.431 166 S N 5.180 120.925 115.700 0.075 0.000 2.634 166 S HA 0.123 4.681 4.470 0.145 0.000 0.261 166 S C 0.821 175.505 174.600 0.140 0.000 1.271 166 S CA 0.025 58.288 58.200 0.105 0.000 0.985 166 S CB 1.296 64.518 63.200 0.037 0.000 0.968 166 S HN -0.352 8.240 8.310 0.042 -0.256 0.568 167 L N 3.804 125.012 121.223 -0.026 0.000 1.961 167 L HA -0.317 3.860 4.340 -0.270 0.000 0.210 167 L C 0.972 177.820 176.870 -0.037 0.000 1.072 167 L CA 4.372 59.048 54.840 -0.273 0.000 0.749 167 L CB -0.092 41.570 42.059 -0.661 0.000 0.889 167 L HN 0.734 8.919 8.230 -0.074 0.000 0.432 168 N N -1.878 116.777 118.700 -0.075 0.000 2.060 168 N HA -0.405 4.302 4.740 -0.055 0.000 0.195 168 N C 2.063 177.565 175.510 -0.014 0.000 1.028 168 N CA 3.943 56.967 53.050 -0.044 0.000 0.861 168 N CB -0.815 37.643 38.487 -0.048 0.000 1.029 168 N HN 0.229 8.542 8.380 -0.111 0.000 0.428 169 E N -0.625 119.580 120.200 0.008 0.000 2.038 169 E HA -0.356 3.979 4.350 -0.026 0.000 0.195 169 E C 2.136 178.739 176.600 0.004 0.000 1.000 169 E CA 3.147 59.546 56.400 -0.001 0.000 0.803 169 E CB -0.278 29.424 29.700 0.003 0.000 0.750 169 E HN 0.054 8.418 8.360 0.010 0.002 0.448 170 F N 0.840 120.751 119.950 -0.065 0.000 2.084 170 F HA -0.379 4.083 4.527 -0.108 0.000 0.296 170 F C 1.423 177.196 175.800 -0.046 0.000 1.111 170 F CA 3.239 61.202 58.000 -0.061 0.000 1.224 170 F CB 0.149 39.161 39.000 0.020 0.000 0.991 170 F HN -0.191 8.187 8.300 0.234 0.062 0.471 171 V N 0.402 120.325 119.914 0.015 0.000 2.233 171 V HA -0.741 3.253 4.120 -0.210 0.000 0.252 171 V C 1.698 177.616 176.094 -0.293 0.000 1.063 171 V CA 5.462 67.669 62.300 -0.155 0.000 1.032 171 V CB -0.250 31.572 31.823 -0.003 0.000 0.645 171 V HN 0.728 9.007 8.190 0.351 0.121 0.446 172 E N -1.904 118.186 120.200 -0.184 0.000 2.150 172 E HA -0.287 3.981 4.350 -0.136 0.000 0.193 172 E C 2.496 178.974 176.600 -0.205 0.000 0.985 172 E CA 2.580 58.886 56.400 -0.157 0.000 0.814 172 E CB -0.189 29.452 29.700 -0.097 0.000 0.752 172 E HN -0.376 7.911 8.360 -0.121 0.000 0.466 173 G N -3.045 105.594 108.800 -0.267 0.000 2.650 173 G HA2 -0.024 3.833 3.960 -0.172 0.000 0.214 173 G HA3 -0.024 3.795 3.960 -0.236 0.000 0.214 173 G C -0.012 174.659 174.900 -0.381 0.000 1.136 173 G CA 0.721 45.665 45.100 -0.261 0.000 0.789 173 G HN -0.435 7.578 8.290 -0.268 0.116 0.536 174 A N -0.898 121.550 122.820 -0.620 0.000 2.431 174 A HA 0.102 4.158 4.320 -0.441 0.000 0.239 174 A C -0.052 177.335 177.584 -0.328 0.000 1.230 174 A CA -0.104 51.550 52.037 -0.637 0.000 0.928 174 A CB 0.112 18.252 19.000 -1.434 0.000 1.006 174 A HN 0.026 7.515 8.150 -0.658 0.265 0.520 175 R N -1.910 118.437 120.500 -0.255 0.000 2.193 175 R HA -0.191 4.082 4.340 -0.112 0.000 0.213 175 R C 0.638 176.884 176.300 -0.090 0.000 1.055 175 R CA 2.487 58.506 56.100 -0.136 0.000 0.995 175 R CB 0.269 30.503 30.300 -0.111 0.000 0.893 175 R HN -0.299 7.618 8.270 -0.287 0.181 0.459 176 R N -4.294 116.149 120.500 -0.096 0.000 4.137 176 R HA 0.006 4.324 4.340 -0.037 0.000 0.082 176 R C -0.469 175.807 176.300 -0.040 0.000 0.716 176 R CA 0.351 56.420 56.100 -0.051 0.000 1.733 176 R CB 0.867 31.145 30.300 -0.037 0.000 1.564 176 R HN -0.481 7.678 8.270 -0.133 0.031 0.427 177 D N -1.585 118.785 120.400 -0.050 0.000 3.229 177 D HA -0.321 4.303 4.640 -0.027 0.000 0.214 177 D C -0.363 175.952 176.300 0.025 0.000 1.556 177 D CA 2.053 56.039 54.000 -0.022 0.000 1.086 177 D CB -0.016 40.763 40.800 -0.034 0.000 0.676 177 D HN 0.162 8.492 8.370 -0.066 0.000 0.791 178 K N -1.119 119.325 120.400 0.074 0.000 2.562 178 K HA 0.216 4.588 4.320 0.086 0.000 0.218 178 K C -0.703 176.049 176.600 0.255 0.000 1.374 178 K CA 0.245 56.602 56.287 0.116 0.000 0.996 178 K CB 2.555 35.107 32.500 0.087 0.000 1.127 178 K HN 0.326 8.626 8.250 0.083 0.000 0.603 179 W N -2.289 119.005 121.300 -0.010 0.000 0.760 179 W HA 0.054 4.716 4.660 0.003 0.000 0.145 179 W C -0.636 175.886 176.519 0.004 0.000 0.636 179 W CA 0.954 58.300 57.345 0.001 0.000 0.474 179 W CB 0.896 30.361 29.460 0.009 0.000 0.717 179 W HN -0.555 7.741 8.180 0.194 0.000 0.387 180 V N 2.333 122.259 119.914 0.020 0.000 2.392 180 V HA -0.564 3.487 4.120 -0.115 0.000 0.249 180 V C 1.132 177.142 176.094 -0.140 0.000 1.059 180 V CA 4.318 66.565 62.300 -0.088 0.000 1.051 180 V CB -0.187 31.595 31.823 -0.067 0.000 0.658 180 V HN -0.516 7.859 8.190 0.087 -0.132 0.455 181 M N -0.143 119.396 119.600 -0.102 0.000 2.126 181 M HA -0.578 3.873 4.480 -0.049 0.000 0.259 181 M C 1.566 177.789 176.300 -0.129 0.000 1.073 181 M CA 3.792 59.045 55.300 -0.079 0.000 1.103 181 M CB -0.548 32.029 32.600 -0.039 0.000 1.284 181 M HN -0.045 8.198 8.290 -0.064 0.008 0.420 182 K N -1.341 118.958 120.400 -0.168 0.000 2.071 182 K HA -0.514 3.744 4.320 -0.103 0.000 0.217 182 K C 2.396 178.805 176.600 -0.319 0.000 1.054 182 K CA 3.124 59.285 56.287 -0.210 0.000 0.937 182 K CB -0.498 31.867 32.500 -0.224 0.000 0.719 182 K HN -0.295 7.885 8.250 -0.117 0.000 0.454 183 M N -0.798 118.455 119.600 -0.579 0.000 2.334 183 M HA -0.268 3.915 4.480 -0.495 0.000 0.265 183 M C 2.031 178.196 176.300 -0.225 0.000 1.085 183 M CA 2.301 57.288 55.300 -0.523 0.000 1.093 183 M CB -0.362 31.799 32.600 -0.731 0.000 1.237 183 M HN -0.676 7.142 8.290 -0.787 0.000 0.457 184 L N -1.450 119.692 121.223 -0.135 0.000 2.171 184 L HA -0.395 4.013 4.340 0.112 0.000 0.216 184 L C 2.210 179.121 176.870 0.068 0.000 1.084 184 L CA 3.039 57.908 54.840 0.049 0.000 0.771 184 L CB -0.224 41.903 42.059 0.113 0.000 0.890 184 L HN -0.427 7.689 8.230 -0.190 0.000 0.437 185 Q N -3.467 116.337 119.800 0.007 0.000 2.050 185 Q HA -0.379 4.015 4.340 0.090 0.000 0.202 185 Q C 1.307 177.323 176.000 0.026 0.000 0.980 185 Q CA 2.367 58.192 55.803 0.036 0.000 0.840 185 Q CB 0.718 29.457 28.738 0.001 0.000 0.898 185 Q HN 0.041 8.149 8.270 -0.055 0.129 0.424 186 M N -4.096 115.482 119.600 -0.037 0.000 6.752 186 M HA -0.466 3.954 4.480 -0.101 0.000 0.128 186 M C 0.263 176.528 176.300 -0.058 0.000 0.530 186 M CA 3.425 58.687 55.300 -0.064 0.000 1.209 186 M CB -1.724 30.848 32.600 -0.046 0.000 0.849 186 M HN 0.202 8.359 8.290 -0.079 0.086 0.249 187 D N -0.347 120.035 120.400 -0.029 0.000 2.087 187 D HA -0.163 4.444 4.640 -0.055 0.000 0.192 187 D C 2.188 178.484 176.300 -0.007 0.000 0.993 187 D CA 2.133 56.119 54.000 -0.022 0.000 0.828 187 D CB 0.653 41.467 40.800 0.023 0.000 0.968 187 D HN -0.024 8.310 8.370 0.008 0.041 0.448 188 L N -4.114 117.114 121.223 0.009 0.000 2.824 188 L HA -0.461 4.073 4.340 0.013 -0.187 0.395 188 L C -0.462 176.419 176.870 0.018 0.000 1.064 188 L CA 1.907 56.754 54.840 0.010 0.000 3.242 188 L CB -0.882 41.177 42.059 0.001 0.000 0.821 188 L HN 0.022 8.265 8.230 0.022 0.000 0.792 189 N N -3.084 115.625 118.700 0.015 0.000 2.508 189 N HA -0.051 4.704 4.740 0.025 0.000 0.304 189 N C -2.412 173.106 175.510 0.013 0.000 0.698 189 N CA 0.388 53.449 53.050 0.018 0.000 0.794 189 N CB 0.203 38.700 38.487 0.017 0.000 2.379 189 N HN -0.018 8.404 8.380 0.008 -0.036 1.282 190 P HA 0.000 4.422 4.420 0.004 0.000 0.216 190 P CA 0.000 63.101 63.100 0.002 0.000 0.800 190 P CB 0.000 31.699 31.700 -0.001 0.000 0.726