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 3if1_1_D DATA FIRST_RESID 1 DATA SEQUENCE QVQLQQSGGG LVQPGGSMKI FcAASGFTFS DAWMDWVRQS PEKGLEWVAE DATA SEQUENCE IANNHETYYA ESVKGRFTIT RDDSKSRMSL QLRAEDTGIY YcSGGKVRNA DATA SEQUENCE XYWGQGTTVT VSSKTTKAPS VYPLAPVXXX XXXXSVTLGc LVKGYFPEPV DATA SEQUENCE TLTWNSGSLS SGVHTFPAVL QSDLYTLSSS VTVTSSTWPS QSITcNVAHP DATA SEQUENCE ASSTKVDKKI EP 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 1 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 1 Q C 0.000 175.998 176.000 -0.004 0.000 1.003 1 Q CA 0.000 55.808 55.803 0.008 0.000 1.022 1 Q CB 0.000 28.745 28.738 0.011 0.000 1.108 2 V N 3.847 123.733 119.914 -0.046 0.000 2.508 2 V HA 0.232 4.348 4.120 -0.007 0.000 0.281 2 V C -0.297 175.772 176.094 -0.041 0.000 1.041 2 V CA 0.421 62.657 62.300 -0.106 0.000 1.016 2 V CB 1.296 32.780 31.823 -0.565 0.000 0.984 2 V HN 0.689 8.879 8.190 0.000 0.000 0.478 3 Q N 4.337 124.159 119.800 0.036 0.000 2.304 3 Q HA 0.562 4.898 4.340 -0.007 0.000 0.270 3 Q C -1.687 174.381 176.000 0.112 0.000 1.035 3 Q CA -0.772 55.066 55.803 0.060 0.000 0.781 3 Q CB 2.402 31.162 28.738 0.036 0.000 1.261 3 Q HN 0.458 8.728 8.270 0.000 0.000 0.444 4 L N 2.966 124.264 121.223 0.125 0.000 2.345 4 L HA 0.374 4.710 4.340 -0.007 0.000 0.274 4 L C -0.970 175.975 176.870 0.125 0.000 0.999 4 L CA -0.269 54.654 54.840 0.138 0.000 0.849 4 L CB 1.517 43.666 42.059 0.149 0.000 1.220 4 L HN 0.536 8.766 8.230 0.000 0.000 0.422 5 Q N 2.198 122.061 119.800 0.106 0.000 2.368 5 Q HA 0.534 4.870 4.340 -0.007 0.000 0.263 5 Q C -0.787 175.298 176.000 0.143 0.000 1.009 5 Q CA -0.421 55.449 55.803 0.112 0.000 0.818 5 Q CB 1.292 30.075 28.738 0.076 0.000 1.239 5 Q HN 0.483 8.753 8.270 0.000 0.000 0.464 6 Q N 1.030 120.940 119.800 0.183 0.000 2.382 6 Q HA 0.705 5.041 4.340 -0.007 0.000 0.229 6 Q C -0.729 175.386 176.000 0.193 0.000 1.006 6 Q CA -0.055 55.897 55.803 0.249 0.000 0.916 6 Q CB 1.507 30.429 28.738 0.306 0.000 1.235 6 Q HN 0.766 9.036 8.270 0.000 0.000 0.512 7 S N -1.661 114.171 115.700 0.220 0.000 2.587 7 S HA 0.697 5.163 4.470 -0.007 0.000 0.269 7 S C 0.174 174.883 174.600 0.180 0.000 1.154 7 S CA -0.399 57.898 58.200 0.162 0.000 0.824 7 S CB 1.291 64.572 63.200 0.135 0.000 1.118 7 S HN 1.235 9.545 8.310 0.000 0.000 0.462 8 G N -0.296 108.570 108.800 0.109 0.000 2.176 8 G HA2 0.059 4.015 3.960 -0.007 0.000 0.232 8 G HA3 0.059 4.015 3.960 -0.007 0.000 0.232 8 G C 0.751 175.624 174.900 -0.046 0.000 0.986 8 G CA 0.230 45.383 45.100 0.087 0.000 0.643 8 G HN 1.599 9.889 8.290 0.000 0.000 0.522 9 G N -0.677 108.082 108.800 -0.068 0.000 2.611 9 G HA2 0.775 4.731 3.960 -0.007 0.000 0.273 9 G HA3 0.775 4.731 3.960 -0.007 0.000 0.273 9 G C 0.781 175.615 174.900 -0.109 0.000 1.305 9 G CA 1.109 46.132 45.100 -0.128 0.000 1.010 9 G HN 1.860 10.150 8.290 0.000 0.000 0.509 10 G N -1.872 106.855 108.800 -0.122 0.000 2.302 10 G HA2 0.387 4.343 3.960 -0.007 0.000 0.264 10 G HA3 0.387 4.343 3.960 -0.007 0.000 0.264 10 G C -1.522 173.318 174.900 -0.100 0.000 1.335 10 G CA -0.270 44.765 45.100 -0.108 0.000 0.982 10 G HN 1.237 9.527 8.290 0.000 0.000 0.473 11 L N 0.981 122.157 121.223 -0.078 0.000 2.276 11 L HA 0.737 5.073 4.340 -0.007 0.000 0.286 11 L C 0.242 177.103 176.870 -0.014 0.000 1.061 11 L CA -0.462 54.358 54.840 -0.033 0.000 0.807 11 L CB 1.250 43.310 42.059 0.001 0.000 1.177 11 L HN 1.040 9.270 8.230 0.000 0.000 0.429 12 V N 2.215 122.129 119.914 0.001 0.000 2.925 12 V HA 0.524 4.640 4.120 -0.007 0.000 0.311 12 V C -0.323 175.788 176.094 0.030 0.000 1.104 12 V CA -1.024 61.274 62.300 -0.004 0.000 0.954 12 V CB 1.428 33.222 31.823 -0.048 0.000 1.022 12 V HN 0.755 8.945 8.190 0.000 0.000 0.427 13 Q N 2.310 122.124 119.800 0.024 0.000 2.373 13 Q HA 0.326 4.662 4.340 -0.007 0.000 0.255 13 Q C -2.392 173.620 176.000 0.021 0.000 0.980 13 Q CA -1.469 54.352 55.803 0.030 0.000 0.882 13 Q CB 0.968 29.718 28.738 0.021 0.000 1.249 13 Q HN 0.526 8.796 8.270 0.000 0.000 0.438 14 P HA -0.089 4.331 4.420 0.000 0.000 0.265 14 P C 0.399 177.708 177.300 0.015 0.000 1.187 14 P CA 1.050 64.165 63.100 0.025 0.000 0.766 14 P CB 0.375 32.091 31.700 0.026 0.000 0.820 15 G N 1.233 110.042 108.800 0.015 0.000 2.184 15 G HA2 -0.190 3.766 3.960 -0.007 0.000 0.264 15 G HA3 -0.190 3.766 3.960 -0.007 0.000 0.264 15 G C 0.669 175.567 174.900 -0.003 0.000 0.975 15 G CA 0.047 45.152 45.100 0.008 0.000 0.642 15 G HN 0.900 9.190 8.290 0.000 0.000 0.536 16 G N -0.649 108.146 108.800 -0.009 0.000 2.588 16 G HA2 0.615 4.571 3.960 -0.007 0.000 0.281 16 G HA3 0.615 4.571 3.960 -0.007 0.000 0.281 16 G C -0.009 174.860 174.900 -0.052 0.000 1.236 16 G CA 0.662 45.745 45.100 -0.027 0.000 0.969 16 G HN 0.888 9.178 8.290 0.000 0.000 0.504 17 S N -0.835 114.820 115.700 -0.074 0.000 2.566 17 S HA 0.739 5.205 4.470 -0.007 0.000 0.298 17 S C -0.441 174.067 174.600 -0.154 0.000 1.083 17 S CA -0.499 57.630 58.200 -0.118 0.000 0.978 17 S CB 1.729 64.870 63.200 -0.100 0.000 1.073 17 S HN 0.747 9.057 8.310 0.000 0.000 0.491 18 M N 1.842 121.301 119.600 -0.235 0.000 2.471 18 M HA 0.473 4.949 4.480 -0.007 0.000 0.284 18 M C -2.418 173.660 176.300 -0.370 0.000 1.203 18 M CA -0.438 54.702 55.300 -0.266 0.000 0.915 18 M CB 1.708 34.136 32.600 -0.286 0.000 1.734 18 M HN 0.512 8.802 8.290 0.000 0.000 0.485 19 K N 5.301 125.494 120.400 -0.345 0.000 2.376 19 K HA 0.682 4.998 4.320 -0.007 0.000 0.257 19 K C -1.034 175.156 176.600 -0.684 0.000 0.939 19 K CA -0.715 55.252 56.287 -0.534 0.000 0.809 19 K CB 2.229 34.487 32.500 -0.403 0.000 1.121 19 K HN 0.726 8.976 8.250 0.000 0.000 0.425 20 I N -0.898 119.129 120.570 -0.906 0.000 2.797 20 I HA 0.669 4.835 4.170 -0.007 0.000 0.307 20 I C -1.122 174.487 176.117 -0.846 0.000 1.033 20 I CA -0.977 59.892 61.300 -0.720 0.000 1.071 20 I CB 1.223 38.866 38.000 -0.596 0.000 1.255 20 I HN 0.347 8.557 8.210 0.000 0.000 0.445 21 F N 2.821 122.832 119.950 0.103 0.000 2.629 21 F HA 0.663 5.187 4.527 -0.005 0.000 0.316 21 F C -0.466 175.552 175.800 0.362 0.000 1.081 21 F CA -0.849 57.295 58.000 0.241 0.000 0.954 21 F CB 1.864 40.922 39.000 0.097 0.000 1.337 21 F HN 0.661 8.961 8.300 0.000 0.000 0.474 22 c N 2.100 120.989 118.600 0.481 0.000 2.446 22 c HA 0.885 5.451 4.570 -0.007 0.000 0.329 22 c C -0.667 173.502 174.090 0.132 0.000 1.166 22 c CA -0.337 56.143 56.329 0.251 0.000 1.341 22 c CB -0.391 42.145 42.510 0.043 0.000 1.970 22 c HN 0.972 9.202 8.230 0.000 0.000 0.452 23 A N 4.661 127.527 122.820 0.078 0.000 2.260 23 A HA 0.835 5.151 4.320 -0.007 0.000 0.314 23 A C 0.088 177.654 177.584 -0.029 0.000 1.257 23 A CA 0.073 52.097 52.037 -0.022 0.000 0.871 23 A CB 0.662 19.647 19.000 -0.025 0.000 1.166 23 A HN 1.800 9.950 8.150 0.000 0.000 0.522 24 A N 2.337 125.079 122.820 -0.131 0.000 2.340 24 A HA 0.897 5.213 4.320 -0.007 0.000 0.331 24 A C 0.128 177.565 177.584 -0.246 0.000 1.140 24 A CA 0.098 52.078 52.037 -0.096 0.000 0.801 24 A CB 0.936 19.947 19.000 0.019 0.000 1.234 24 A HN 2.138 10.288 8.150 0.000 0.000 0.469 25 S N -0.241 115.337 115.700 -0.203 0.000 2.547 25 S HA 0.698 5.164 4.470 -0.007 0.000 0.270 25 S C 0.287 174.813 174.600 -0.124 0.000 1.150 25 S CA 0.191 58.263 58.200 -0.213 0.000 0.850 25 S CB 1.050 64.183 63.200 -0.112 0.000 1.118 25 S HN 2.653 10.963 8.310 0.000 0.000 0.461 26 G N 0.286 109.022 108.800 -0.107 0.000 2.176 26 G HA2 -0.051 3.905 3.960 -0.007 0.000 0.232 26 G HA3 -0.051 3.905 3.960 -0.007 0.000 0.232 26 G C -0.233 174.741 174.900 0.124 0.000 0.986 26 G CA 0.441 45.549 45.100 0.013 0.000 0.643 26 G HN 2.022 10.312 8.290 0.000 0.000 0.522 27 F N -1.588 118.352 119.950 -0.016 0.000 2.686 27 F HA 0.742 5.265 4.527 -0.006 0.000 0.311 27 F C -0.110 175.736 175.800 0.078 0.000 1.128 27 F CA -0.942 57.071 58.000 0.022 0.000 0.946 27 F CB 0.642 39.646 39.000 0.007 0.000 1.336 27 F HN -0.021 8.279 8.300 0.000 0.000 0.457 28 T N 3.389 118.085 114.554 0.236 0.000 2.848 28 T HA 0.072 4.418 4.350 -0.007 0.000 0.283 28 T C 0.742 175.583 174.700 0.235 0.000 0.919 28 T CA 0.091 62.281 62.100 0.150 0.000 1.071 28 T CB -0.500 68.453 68.868 0.142 0.000 0.912 28 T HN 0.595 8.835 8.240 0.000 0.000 0.570 29 F N 3.632 123.522 119.950 -0.100 0.000 2.091 29 F HA -0.247 4.277 4.527 -0.005 0.000 0.299 29 F C 2.600 178.483 175.800 0.140 0.000 1.103 29 F CA 2.246 60.239 58.000 -0.011 0.000 1.228 29 F CB -0.480 38.424 39.000 -0.161 0.000 0.984 29 F HN 0.591 8.891 8.300 0.000 0.000 0.477 30 S N -0.921 114.894 115.700 0.192 0.000 2.419 30 S HA -0.221 4.245 4.470 -0.007 0.000 0.235 30 S C 1.579 176.213 174.600 0.057 0.000 1.019 30 S CA 1.549 59.829 58.200 0.134 0.000 0.982 30 S CB -0.631 62.660 63.200 0.152 0.000 0.789 30 S HN 0.451 8.761 8.310 0.000 0.000 0.490 31 D N 1.931 122.375 120.400 0.073 0.000 2.355 31 D HA 0.362 4.998 4.640 -0.007 0.000 0.218 31 D C 0.617 176.948 176.300 0.052 0.000 1.004 31 D CA 0.594 54.633 54.000 0.064 0.000 0.880 31 D CB 0.135 40.994 40.800 0.098 0.000 0.911 31 D HN 0.587 8.957 8.370 0.000 0.000 0.528 32 A N 0.382 123.214 122.820 0.020 0.000 2.309 32 A HA 0.285 4.601 4.320 -0.007 0.000 0.298 32 A C -0.623 176.962 177.584 0.001 0.000 1.165 32 A CA -0.514 51.537 52.037 0.023 0.000 0.821 32 A CB 0.760 19.816 19.000 0.095 0.000 1.102 32 A HN 0.124 8.274 8.150 0.000 0.000 0.500 33 W N 4.748 125.980 121.300 -0.114 0.000 2.335 33 W HA 0.478 5.133 4.660 -0.007 0.000 0.306 33 W C -1.121 175.319 176.519 -0.133 0.000 1.216 33 W CA -0.971 56.316 57.345 -0.096 0.000 1.237 33 W CB 0.946 30.364 29.460 -0.069 0.000 1.243 33 W HN 0.473 8.653 8.180 0.000 0.000 0.493 34 M N 5.318 125.092 119.600 0.290 0.000 2.578 34 M HA 0.367 4.843 4.480 -0.007 0.000 0.321 34 M C -0.537 175.812 176.300 0.082 0.000 1.182 34 M CA -0.448 54.886 55.300 0.057 0.000 0.965 34 M CB 1.827 34.397 32.600 -0.050 0.000 1.694 34 M HN 0.290 8.580 8.290 0.000 0.000 0.461 35 D N 0.451 120.775 120.400 -0.127 0.000 2.661 35 D HA 0.434 5.070 4.640 -0.007 0.000 0.228 35 D C -1.643 174.484 176.300 -0.289 0.000 1.183 35 D CA -0.140 53.814 54.000 -0.077 0.000 0.844 35 D CB 2.103 42.904 40.800 0.001 0.000 1.555 35 D HN 0.513 8.883 8.370 0.000 0.000 0.453 36 W N 1.073 122.325 121.300 -0.080 0.000 2.475 36 W HA 0.509 5.164 4.660 -0.007 0.000 0.317 36 W C -0.490 175.964 176.519 -0.109 0.000 1.046 36 W CA -0.600 56.716 57.345 -0.048 0.000 1.215 36 W CB 1.608 31.081 29.460 0.022 0.000 1.335 36 W HN -0.071 8.109 8.180 0.000 0.000 0.471 37 V N 4.800 124.860 119.914 0.243 0.000 2.588 37 V HA 0.556 4.672 4.120 -0.007 0.000 0.304 37 V C -0.096 176.138 176.094 0.234 0.000 1.042 37 V CA -1.287 61.153 62.300 0.233 0.000 0.877 37 V CB 1.526 33.556 31.823 0.343 0.000 0.996 37 V HN 0.579 8.769 8.190 0.000 0.000 0.425 38 R N 3.487 123.987 120.500 0.000 0.000 2.732 38 R HA 0.823 5.159 4.340 -0.007 0.000 0.278 38 R C -0.887 175.410 176.300 -0.004 0.000 0.976 38 R CA -0.837 55.113 56.100 -0.250 0.000 0.963 38 R CB 2.216 32.016 30.300 -0.832 0.000 1.150 38 R HN 0.669 8.939 8.270 0.000 0.000 0.478 39 Q N 1.429 121.227 119.800 -0.002 0.000 2.347 39 Q HA 0.441 4.778 4.340 -0.007 0.000 0.271 39 Q C -1.654 174.379 176.000 0.055 0.000 1.064 39 Q CA -0.634 55.232 55.803 0.105 0.000 0.800 39 Q CB 2.311 31.212 28.738 0.272 0.000 1.304 39 Q HN 0.946 9.216 8.270 0.000 0.000 0.438 40 S N 1.761 117.501 115.700 0.067 0.000 2.596 40 S HA 0.520 4.987 4.470 -0.007 0.000 0.270 40 S C -2.530 172.111 174.600 0.067 0.000 1.155 40 S CA -1.111 57.128 58.200 0.066 0.000 0.827 40 S CB 1.552 64.788 63.200 0.060 0.000 1.130 40 S HN 0.449 8.759 8.310 0.000 0.000 0.467 41 P HA -0.100 4.320 4.420 0.000 0.000 0.213 41 P C -0.128 177.203 177.300 0.052 0.000 1.176 41 P CA 1.545 64.683 63.100 0.062 0.000 0.919 41 P CB -0.289 31.450 31.700 0.066 0.000 0.791 42 E N -0.578 119.652 120.200 0.051 0.000 2.392 42 E HA 0.117 4.463 4.350 -0.007 0.000 0.256 42 E C 0.709 177.336 176.600 0.045 0.000 1.145 42 E CA -0.173 56.254 56.400 0.044 0.000 0.929 42 E CB -0.005 29.720 29.700 0.042 0.000 0.998 42 E HN 0.036 8.396 8.360 0.000 0.000 0.442 43 K N -0.114 120.311 120.400 0.041 0.000 3.517 43 K HA -0.302 4.014 4.320 -0.007 0.000 0.320 43 K C 1.074 177.704 176.600 0.050 0.000 0.769 43 K CA 1.187 57.501 56.287 0.044 0.000 1.397 43 K CB -1.816 30.709 32.500 0.043 0.000 1.376 43 K HN 0.951 9.201 8.250 0.000 0.000 0.456 44 G N 0.742 109.573 108.800 0.053 0.000 2.574 44 G HA2 -0.340 3.616 3.960 -0.007 0.000 0.282 44 G HA3 -0.340 3.616 3.960 -0.007 0.000 0.282 44 G C -0.141 174.806 174.900 0.079 0.000 1.257 44 G CA 0.239 45.376 45.100 0.060 0.000 0.956 44 G HN 0.204 8.494 8.290 0.000 0.000 0.560 45 L N 2.066 123.342 121.223 0.089 0.000 2.418 45 L HA 0.417 4.753 4.340 -0.007 0.000 0.274 45 L C 0.775 177.725 176.870 0.135 0.000 1.135 45 L CA 0.382 55.300 54.840 0.131 0.000 0.870 45 L CB 0.298 42.429 42.059 0.120 0.000 1.154 45 L HN 0.757 8.987 8.230 0.000 0.000 0.462 46 E N 3.537 123.824 120.200 0.145 0.000 2.263 46 E HA 0.143 4.490 4.350 -0.007 0.000 0.268 46 E C -1.269 175.451 176.600 0.201 0.000 0.884 46 E CA -0.972 55.522 56.400 0.157 0.000 0.766 46 E CB 1.086 30.845 29.700 0.098 0.000 1.196 46 E HN 0.444 8.804 8.360 0.000 0.000 0.416 47 W N 4.519 125.861 121.300 0.071 0.000 2.223 47 W HA 0.160 4.816 4.660 -0.006 0.000 0.334 47 W C -0.311 176.262 176.519 0.090 0.000 1.334 47 W CA 0.206 57.597 57.345 0.078 0.000 1.246 47 W CB 1.047 30.536 29.460 0.047 0.000 1.184 47 W HN 0.470 8.650 8.180 0.000 0.000 0.563 48 V N 4.487 124.003 119.914 -0.664 0.000 2.854 48 V HA 0.492 4.609 4.120 -0.007 0.000 0.236 48 V C 0.683 176.216 176.094 -0.936 0.000 1.157 48 V CA 0.860 62.842 62.300 -0.529 0.000 1.187 48 V CB -0.428 31.335 31.823 -0.099 0.000 0.949 48 V HN 0.737 8.927 8.190 0.000 0.000 0.488 49 A N 0.382 122.531 122.820 -1.118 0.000 2.608 49 A HA 0.732 5.048 4.320 -0.007 0.000 0.292 49 A C -1.414 175.996 177.584 -0.289 0.000 1.066 49 A CA -0.466 51.093 52.037 -0.795 0.000 0.676 49 A CB 1.457 20.310 19.000 -0.245 0.000 1.277 49 A HN 0.399 8.549 8.150 0.000 0.000 0.413 50 E N 0.550 120.822 120.200 0.120 0.000 2.343 50 E HA 0.840 5.186 4.350 -0.007 0.000 0.270 50 E C -1.264 175.476 176.600 0.234 0.000 0.895 50 E CA -0.685 55.957 56.400 0.404 0.000 0.767 50 E CB 2.216 32.409 29.700 0.823 0.000 1.248 50 E HN 0.774 9.134 8.360 0.000 0.000 0.440 51 I N 0.620 121.327 120.570 0.229 0.000 3.174 51 I HA 0.514 4.680 4.170 -0.007 0.000 0.313 51 I C 0.833 176.981 176.117 0.052 0.000 1.155 51 I CA -0.188 61.176 61.300 0.108 0.000 0.977 51 I CB 1.966 39.997 38.000 0.052 0.000 1.248 51 I HN 0.904 9.114 8.210 0.000 0.000 0.453 52 A N 3.115 125.861 122.820 -0.123 0.000 4.110 52 A HA -0.334 3.982 4.320 -0.007 0.000 0.235 52 A C 1.154 178.667 177.584 -0.118 0.000 0.729 52 A CA 2.665 54.641 52.037 -0.102 0.000 1.089 52 A CB -1.720 17.236 19.000 -0.073 0.000 1.235 52 A HN 0.825 8.975 8.150 0.000 0.000 0.592 53 N N 0.089 118.700 118.700 -0.148 0.000 2.327 53 N HA 0.070 4.807 4.740 -0.007 0.000 0.231 53 N C 0.013 175.447 175.510 -0.126 0.000 1.130 53 N CA 0.481 53.441 53.050 -0.151 0.000 0.845 53 N CB 0.087 38.431 38.487 -0.238 0.000 1.073 53 N HN 0.553 8.933 8.380 0.000 0.000 0.496 54 N N 0.821 119.429 118.700 -0.153 0.000 2.747 54 N HA -0.207 4.529 4.740 -0.007 0.000 0.249 54 N C -0.703 174.764 175.510 -0.072 0.000 1.107 54 N CA 0.715 53.676 53.050 -0.147 0.000 0.707 54 N CB -2.128 36.311 38.487 -0.080 0.000 1.054 54 N HN 0.593 8.973 8.380 0.000 0.000 0.555 55 H N -1.374 117.655 119.070 -0.069 0.000 2.690 55 H HA -0.212 4.340 4.556 -0.006 0.000 0.309 55 H C -0.088 175.203 175.328 -0.061 0.000 1.138 55 H CA 0.914 56.928 56.048 -0.056 0.000 1.142 55 H CB -1.121 28.636 29.762 -0.008 0.000 1.410 55 H HN 0.470 8.750 8.280 0.000 0.000 0.409 56 E N 1.596 121.805 120.200 0.015 0.000 2.442 56 E HA 0.076 4.422 4.350 -0.007 0.000 0.262 56 E C 0.805 177.351 176.600 -0.091 0.000 1.004 56 E CA 0.861 57.226 56.400 -0.059 0.000 0.928 56 E CB 0.716 30.398 29.700 -0.029 0.000 0.937 56 E HN 0.384 8.744 8.360 0.000 0.000 0.446 57 T N 0.302 114.696 114.554 -0.266 0.000 2.863 57 T HA 0.579 4.925 4.350 -0.007 0.000 0.285 57 T C -0.973 173.388 174.700 -0.564 0.000 1.009 57 T CA -0.761 61.176 62.100 -0.270 0.000 0.989 57 T CB 0.620 69.386 68.868 -0.170 0.000 1.004 57 T HN 0.331 8.571 8.240 0.000 0.000 0.455 58 Y N 0.362 120.603 120.300 -0.099 0.000 2.504 58 Y HA 0.591 5.138 4.550 -0.007 0.000 0.344 58 Y C -1.114 174.751 175.900 -0.059 0.000 1.023 58 Y CA -1.257 56.901 58.100 0.097 0.000 1.020 58 Y CB 2.015 40.670 38.460 0.324 0.000 1.282 58 Y HN 0.696 8.976 8.280 0.000 0.000 0.454 59 Y N 0.708 121.243 120.300 0.391 0.000 2.485 59 Y HA 0.722 5.268 4.550 -0.007 0.000 0.345 59 Y C 0.312 176.331 175.900 0.199 0.000 0.998 59 Y CA -1.534 56.627 58.100 0.102 0.000 1.059 59 Y CB 1.573 40.055 38.460 0.036 0.000 1.234 59 Y HN 0.739 9.019 8.280 0.000 0.000 0.461 60 A N 1.374 124.270 122.820 0.127 0.000 2.507 60 A HA 0.053 4.370 4.320 -0.007 0.000 0.235 60 A C 1.179 178.856 177.584 0.155 0.000 1.070 60 A CA -0.111 52.077 52.037 0.252 0.000 0.768 60 A CB 0.215 19.275 19.000 0.100 0.000 1.011 60 A HN 0.976 9.126 8.150 0.000 0.000 0.502 61 E N 0.562 120.850 120.200 0.146 0.000 2.204 61 E HA -0.125 4.221 4.350 -0.007 0.000 0.194 61 E C 2.104 178.709 176.600 0.008 0.000 0.989 61 E CA 1.614 58.065 56.400 0.084 0.000 0.824 61 E CB -0.047 29.702 29.700 0.083 0.000 0.756 61 E HN 0.828 9.188 8.360 0.000 0.000 0.477 62 S N -0.907 114.780 115.700 -0.021 0.000 2.481 62 S HA -0.104 4.362 4.470 -0.007 0.000 0.231 62 S C 1.790 176.273 174.600 -0.196 0.000 0.996 62 S CA 0.848 59.000 58.200 -0.079 0.000 0.942 62 S CB 0.135 63.298 63.200 -0.063 0.000 0.768 62 S HN 0.236 8.546 8.310 0.000 0.000 0.520 63 V N -2.800 116.947 119.914 -0.279 0.000 3.556 63 V HA 0.440 4.556 4.120 -0.007 0.000 0.287 63 V C 0.355 176.247 176.094 -0.336 0.000 1.422 63 V CA -0.622 61.340 62.300 -0.562 0.000 1.038 63 V CB -0.701 30.448 31.823 -1.124 0.000 0.850 63 V HN 0.193 8.383 8.190 0.000 0.000 0.437 64 K N 1.608 121.909 120.400 -0.164 0.000 2.466 64 K HA 0.348 4.665 4.320 -0.007 0.000 0.278 64 K C 1.389 177.893 176.600 -0.160 0.000 1.048 64 K CA 1.455 57.660 56.287 -0.137 0.000 1.088 64 K CB -0.029 32.466 32.500 -0.008 0.000 0.884 64 K HN 0.832 9.082 8.250 0.000 0.000 0.478 65 G N 3.615 112.275 108.800 -0.235 0.000 2.241 65 G HA2 -0.310 3.646 3.960 -0.007 0.000 0.244 65 G HA3 -0.310 3.646 3.960 -0.007 0.000 0.244 65 G C 0.885 175.725 174.900 -0.100 0.000 0.998 65 G CA 0.412 45.422 45.100 -0.149 0.000 0.621 65 G HN 0.690 8.980 8.290 0.000 0.000 0.519 66 R N -1.232 119.229 120.500 -0.065 0.000 2.221 66 R HA 0.368 4.704 4.340 -0.007 0.000 0.195 66 R C 0.105 176.580 176.300 0.292 0.000 0.956 66 R CA 0.278 56.438 56.100 0.100 0.000 1.064 66 R CB 0.333 30.721 30.300 0.147 0.000 1.049 66 R HN 0.267 8.537 8.270 0.000 0.000 0.534 67 F N 0.897 120.719 119.950 -0.214 0.000 2.443 67 F HA 0.368 4.892 4.527 -0.005 0.000 0.335 67 F C 0.176 175.843 175.800 -0.221 0.000 1.104 67 F CA -1.016 56.882 58.000 -0.171 0.000 1.013 67 F CB 1.981 40.942 39.000 -0.064 0.000 1.136 67 F HN -0.312 7.988 8.300 0.000 0.000 0.470 68 T N 4.902 119.489 114.554 0.055 0.000 2.809 68 T HA 0.477 4.823 4.350 -0.007 0.000 0.284 68 T C -0.342 174.482 174.700 0.206 0.000 0.992 68 T CA -0.390 61.786 62.100 0.128 0.000 0.957 68 T CB 1.179 70.066 68.868 0.032 0.000 0.942 68 T HN 0.475 8.715 8.240 0.000 0.000 0.439 69 I N 2.747 123.550 120.570 0.389 0.000 2.440 69 I HA 0.575 4.741 4.170 -0.007 0.000 0.294 69 I C -0.275 175.959 176.117 0.194 0.000 0.995 69 I CA 0.169 61.628 61.300 0.265 0.000 1.306 69 I CB 1.113 39.249 38.000 0.227 0.000 1.407 69 I HN 0.497 8.707 8.210 0.000 0.000 0.501 70 T N 6.455 121.120 114.554 0.185 0.000 2.923 70 T HA 0.566 4.912 4.350 -0.007 0.000 0.311 70 T C -1.418 173.372 174.700 0.150 0.000 1.183 70 T CA -0.743 61.441 62.100 0.139 0.000 1.020 70 T CB 1.632 70.574 68.868 0.123 0.000 1.165 70 T HN 0.757 8.997 8.240 0.000 0.000 0.482 71 R N 1.217 121.765 120.500 0.081 0.000 2.668 71 R HA 0.686 5.022 4.340 -0.007 0.000 0.272 71 R C -2.220 174.113 176.300 0.055 0.000 1.019 71 R CA -0.912 55.250 56.100 0.103 0.000 0.894 71 R CB 1.792 32.142 30.300 0.083 0.000 1.228 71 R HN 0.480 8.750 8.270 0.000 0.000 0.460 72 D N 1.726 122.175 120.400 0.081 0.000 2.440 72 D HA 0.159 4.795 4.640 -0.007 0.000 0.252 72 D C -0.396 175.929 176.300 0.042 0.000 1.180 72 D CA -0.362 53.666 54.000 0.047 0.000 0.894 72 D CB 1.613 42.413 40.800 -0.000 0.000 1.111 72 D HN 0.523 8.893 8.370 0.000 0.000 0.544 73 D N 1.032 121.549 120.400 0.194 0.000 2.117 73 D HA -0.173 4.463 4.640 -0.007 0.000 0.197 73 D C 1.999 178.360 176.300 0.101 0.000 0.987 73 D CA 1.279 55.477 54.000 0.331 0.000 0.829 73 D CB 0.027 41.047 40.800 0.366 0.000 0.961 73 D HN 0.494 8.864 8.370 0.000 0.000 0.460 74 S N -0.261 115.469 115.700 0.049 0.000 2.447 74 S HA -0.072 4.394 4.470 -0.007 0.000 0.233 74 S C 1.524 176.080 174.600 -0.073 0.000 1.006 74 S CA 0.688 58.887 58.200 -0.002 0.000 0.957 74 S CB 0.054 63.259 63.200 0.009 0.000 0.773 74 S HN -0.028 8.282 8.310 0.000 0.000 0.507 75 K N 0.959 121.286 120.400 -0.123 0.000 2.358 75 K HA 0.340 4.656 4.320 -0.007 0.000 0.197 75 K C 0.423 176.820 176.600 -0.339 0.000 1.025 75 K CA 0.196 56.375 56.287 -0.181 0.000 1.104 75 K CB 0.006 32.421 32.500 -0.142 0.000 0.855 75 K HN 0.340 8.590 8.250 0.000 0.000 0.531 76 S N 1.385 116.766 115.700 -0.531 0.000 3.559 76 S HA -0.216 4.251 4.470 -0.007 0.000 0.369 76 S C 0.046 173.942 174.600 -1.173 0.000 0.987 76 S CA 0.838 58.347 58.200 -1.152 0.000 1.187 76 S CB -1.035 61.766 63.200 -0.664 0.000 0.914 76 S HN 0.448 8.758 8.310 0.000 0.000 0.480 77 R N 0.345 120.303 120.500 -0.903 0.000 2.744 77 R HA 0.758 5.094 4.340 -0.007 0.000 0.279 77 R C -0.447 175.799 176.300 -0.090 0.000 0.977 77 R CA -0.901 54.978 56.100 -0.369 0.000 0.906 77 R CB 1.164 31.365 30.300 -0.165 0.000 1.197 77 R HN 0.460 8.730 8.270 0.000 0.000 0.463 78 M N 0.853 120.541 119.600 0.147 0.000 2.631 78 M HA 0.609 5.085 4.480 -0.007 0.000 0.288 78 M C -1.544 175.001 176.300 0.410 0.000 1.260 78 M CA -0.541 54.935 55.300 0.293 0.000 0.842 78 M CB 2.510 35.314 32.600 0.340 0.000 1.743 78 M HN 0.617 8.907 8.290 0.000 0.000 0.461 79 S N 1.521 117.455 115.700 0.390 0.000 2.588 79 S HA 0.827 5.293 4.470 -0.007 0.000 0.275 79 S C -1.701 172.968 174.600 0.114 0.000 1.130 79 S CA -0.850 57.477 58.200 0.211 0.000 0.855 79 S CB 2.117 65.326 63.200 0.014 0.000 1.116 79 S HN 1.018 9.328 8.310 0.000 0.000 0.472 80 L N 1.686 122.672 121.223 -0.395 0.000 2.377 80 L HA 0.517 4.853 4.340 -0.007 0.000 0.270 80 L C -0.951 175.545 176.870 -0.622 0.000 0.991 80 L CA -0.097 54.387 54.840 -0.594 0.000 0.851 80 L CB 1.445 42.745 42.059 -1.266 0.000 1.218 80 L HN 0.857 9.087 8.230 0.000 0.000 0.420 81 Q N 5.997 125.551 119.800 -0.410 0.000 2.340 81 Q HA 0.786 5.122 4.340 -0.007 0.000 0.259 81 Q C -1.466 174.276 176.000 -0.430 0.000 0.964 81 Q CA -0.318 55.252 55.803 -0.390 0.000 0.900 81 Q CB 1.956 30.564 28.738 -0.216 0.000 1.228 81 Q HN 0.608 8.878 8.270 0.000 0.000 0.449 82 L N 1.873 123.127 121.223 0.051 0.000 2.700 82 L HA 0.446 4.782 4.340 -0.007 0.000 0.255 82 L C -1.068 175.845 176.870 0.073 0.000 0.933 82 L CA -0.620 54.271 54.840 0.084 0.000 0.920 82 L CB 2.169 44.240 42.059 0.020 0.000 1.472 82 L HN 0.533 8.763 8.230 0.000 0.000 0.426 83 R N 0.812 121.368 120.500 0.094 0.000 2.832 83 R HA 0.676 5.012 4.340 -0.007 0.000 0.271 83 R C 0.754 177.102 176.300 0.079 0.000 0.996 83 R CA -0.279 55.863 56.100 0.070 0.000 0.977 83 R CB 1.634 31.968 30.300 0.056 0.000 1.168 83 R HN 0.760 9.030 8.270 0.000 0.000 0.482 84 A N 1.530 124.389 122.820 0.066 0.000 1.958 84 A HA -0.225 4.091 4.320 -0.007 0.000 0.221 84 A C 1.643 179.278 177.584 0.085 0.000 1.178 84 A CA 1.986 54.068 52.037 0.074 0.000 0.642 84 A CB -0.510 18.525 19.000 0.058 0.000 0.816 84 A HN 0.851 9.001 8.150 0.000 0.000 0.453 85 E N -0.366 119.879 120.200 0.075 0.000 2.502 85 E HA -0.097 4.249 4.350 -0.007 0.000 0.194 85 E C 0.075 176.737 176.600 0.103 0.000 1.062 85 E CA 0.774 57.219 56.400 0.076 0.000 0.867 85 E CB -0.323 29.407 29.700 0.051 0.000 0.888 85 E HN 0.550 8.910 8.360 0.000 0.000 0.510 86 D N 1.553 122.038 120.400 0.141 0.000 2.317 86 D HA -0.021 4.615 4.640 -0.007 0.000 0.211 86 D C 0.109 176.585 176.300 0.293 0.000 0.966 86 D CA 0.504 54.650 54.000 0.243 0.000 0.876 86 D CB -0.040 40.940 40.800 0.301 0.000 0.927 86 D HN 0.067 8.437 8.370 0.000 0.000 0.519 87 T N 0.811 115.482 114.554 0.195 0.000 2.908 87 T HA 0.412 4.758 4.350 -0.007 0.000 0.301 87 T C 0.609 175.426 174.700 0.196 0.000 1.019 87 T CA 0.445 62.657 62.100 0.186 0.000 1.152 87 T CB 1.047 69.999 68.868 0.140 0.000 0.966 87 T HN 0.261 8.501 8.240 0.000 0.000 0.540 88 G N 2.085 111.023 108.800 0.230 0.000 2.317 88 G HA2 0.390 4.346 3.960 -0.007 0.000 0.293 88 G HA3 0.390 4.346 3.960 -0.007 0.000 0.293 88 G C -1.579 173.415 174.900 0.155 0.000 1.287 88 G CA -1.073 44.111 45.100 0.139 0.000 0.850 88 G HN 0.692 8.982 8.290 0.000 0.000 0.515 89 I N 0.929 121.506 120.570 0.010 0.000 2.312 89 I HA 0.309 4.475 4.170 -0.007 0.000 0.291 89 I C -0.848 175.137 176.117 -0.220 0.000 1.031 89 I CA -0.510 60.727 61.300 -0.105 0.000 1.293 89 I CB 0.874 38.716 38.000 -0.263 0.000 1.403 89 I HN 0.300 8.510 8.210 0.000 0.000 0.484 90 Y N 6.297 126.476 120.300 -0.201 0.000 2.367 90 Y HA 0.356 4.903 4.550 -0.006 0.000 0.342 90 Y C -0.415 175.529 175.900 0.075 0.000 0.979 90 Y CA -0.379 57.709 58.100 -0.020 0.000 1.161 90 Y CB 0.503 38.958 38.460 -0.009 0.000 1.155 90 Y HN 0.333 8.613 8.280 0.000 0.000 0.503 91 Y N 1.738 122.310 120.300 0.453 0.000 2.342 91 Y HA 0.379 4.925 4.550 -0.006 0.000 0.334 91 Y C 0.208 176.225 175.900 0.195 0.000 1.067 91 Y CA -1.219 57.104 58.100 0.372 0.000 1.128 91 Y CB 1.204 39.925 38.460 0.435 0.000 1.200 91 Y HN 0.602 8.882 8.280 0.000 0.000 0.464 92 c N 3.206 121.865 118.600 0.098 0.000 2.369 92 c HA 0.777 5.343 4.570 -0.007 0.000 0.358 92 c C 0.120 174.005 174.090 -0.341 0.000 1.274 92 c CA -0.033 56.001 56.329 -0.491 0.000 1.935 92 c CB -0.695 41.520 42.510 -0.492 0.000 2.431 92 c HN 0.816 9.046 8.230 0.000 0.000 0.545 93 S N 3.218 118.596 115.700 -0.535 0.000 2.546 93 S HA 0.940 5.406 4.470 -0.007 0.000 0.274 93 S C -0.394 173.945 174.600 -0.435 0.000 1.121 93 S CA 0.376 58.171 58.200 -0.675 0.000 0.887 93 S CB 1.496 63.859 63.200 -1.394 0.000 1.094 93 S HN 1.728 10.037 8.310 0.000 0.000 0.474 94 G N 0.784 109.390 108.800 -0.325 0.000 2.342 94 G HA2 0.688 4.644 3.960 -0.007 0.000 0.297 94 G HA3 0.688 4.644 3.960 -0.007 0.000 0.297 94 G C -0.307 174.487 174.900 -0.177 0.000 1.313 94 G CA 0.131 45.115 45.100 -0.193 0.000 0.830 94 G HN 1.755 10.045 8.290 0.000 0.000 0.506 95 G N -1.380 107.324 108.800 -0.159 0.000 2.361 95 G HA2 0.356 4.312 3.960 -0.007 0.000 0.305 95 G HA3 0.356 4.312 3.960 -0.007 0.000 0.305 95 G C 0.332 175.202 174.900 -0.050 0.000 1.367 95 G CA 0.262 45.245 45.100 -0.194 0.000 0.951 95 G HN 0.718 9.008 8.290 0.000 0.000 0.615 96 K N -1.086 119.306 120.400 -0.013 0.000 2.032 96 K HA 0.009 4.325 4.320 -0.007 0.000 0.209 96 K C 1.223 177.844 176.600 0.035 0.000 1.048 96 K CA 1.475 57.791 56.287 0.047 0.000 0.927 96 K CB -0.180 32.354 32.500 0.057 0.000 0.712 96 K HN 0.249 8.499 8.250 0.000 0.000 0.441 97 V N 2.645 122.532 119.914 -0.046 0.000 2.408 97 V HA 0.074 4.190 4.120 -0.007 0.000 0.267 97 V C 0.136 176.139 176.094 -0.153 0.000 1.047 97 V CA -0.549 61.698 62.300 -0.088 0.000 0.937 97 V CB 0.915 32.660 31.823 -0.131 0.000 0.999 97 V HN 0.249 8.439 8.190 0.000 0.000 0.472 98 R N 5.971 126.360 120.500 -0.185 0.000 2.523 98 R HA -0.055 4.281 4.340 -0.007 0.000 0.281 98 R C 0.929 177.044 176.300 -0.308 0.000 0.969 98 R CA 0.932 56.817 56.100 -0.359 0.000 1.093 98 R CB -0.263 29.599 30.300 -0.731 0.000 0.917 98 R HN 0.826 9.096 8.270 0.000 0.000 0.408 99 N N 0.425 118.928 118.700 -0.329 0.000 2.741 99 N HA -0.241 4.495 4.740 -0.007 0.000 0.251 99 N C -0.471 174.957 175.510 -0.137 0.000 1.112 99 N CA 1.191 54.067 53.050 -0.291 0.000 0.750 99 N CB -1.491 36.935 38.487 -0.103 0.000 1.119 99 N HN 0.732 9.112 8.380 0.000 0.000 0.561 103 W N 0.662 122.024 121.300 0.103 0.000 3.129 103 W HA 0.705 5.361 4.660 -0.007 0.000 0.333 103 W C 0.265 176.841 176.519 0.095 0.000 1.141 103 W CA -1.179 56.193 57.345 0.045 0.000 1.224 103 W CB 1.860 31.276 29.460 -0.074 0.000 1.393 103 W HN 0.769 8.949 8.180 0.000 0.000 0.499 104 G N 0.881 109.877 108.800 0.326 0.000 2.588 104 G HA2 0.245 4.201 3.960 -0.007 0.000 0.278 104 G HA3 0.245 4.201 3.960 -0.007 0.000 0.278 104 G C 0.719 175.839 174.900 0.366 0.000 1.307 104 G CA -0.312 44.961 45.100 0.289 0.000 1.016 104 G HN 0.619 8.909 8.290 0.000 0.000 0.503 105 Q N -0.789 119.183 119.800 0.287 0.000 2.297 105 Q HA 0.269 4.605 4.340 -0.007 0.000 0.204 105 Q C 0.975 177.189 176.000 0.357 0.000 0.962 105 Q CA 0.900 56.872 55.803 0.281 0.000 0.879 105 Q CB -0.200 28.642 28.738 0.175 0.000 0.947 105 Q HN 1.579 9.849 8.270 0.000 0.000 0.462 106 G N -0.027 108.974 108.800 0.336 0.000 2.690 106 G HA2 -0.155 3.801 3.960 -0.007 0.000 0.686 106 G HA3 -0.155 3.801 3.960 -0.007 0.000 0.686 106 G C -0.996 173.964 174.900 0.101 0.000 1.277 106 G CA -0.201 44.994 45.100 0.159 0.000 0.799 106 G HN 0.277 8.567 8.290 0.000 0.000 0.613 107 T N 0.069 114.671 114.554 0.080 0.000 2.900 107 T HA 0.722 5.068 4.350 -0.007 0.000 0.295 107 T C 0.297 175.007 174.700 0.018 0.000 1.044 107 T CA 0.398 62.529 62.100 0.052 0.000 0.995 107 T CB 1.353 70.262 68.868 0.068 0.000 1.072 107 T HN 0.983 9.223 8.240 0.000 0.000 0.473 108 T N 3.336 117.881 114.554 -0.015 0.000 2.780 108 T HA 0.477 4.823 4.350 -0.007 0.000 0.294 108 T C -0.321 174.348 174.700 -0.052 0.000 0.949 108 T CA -0.381 61.710 62.100 -0.016 0.000 1.074 108 T CB 0.674 69.517 68.868 -0.041 0.000 0.910 108 T HN 0.405 8.645 8.240 0.000 0.000 0.501 109 V N 4.076 123.981 119.914 -0.015 0.000 2.334 109 V HA 0.544 4.660 4.120 -0.007 0.000 0.281 109 V C 0.401 176.493 176.094 -0.003 0.000 1.016 109 V CA -0.741 61.492 62.300 -0.111 0.000 0.832 109 V CB 1.423 33.017 31.823 -0.382 0.000 0.999 109 V HN 1.002 9.192 8.190 0.000 0.000 0.439 110 T N 4.319 118.858 114.554 -0.025 0.000 2.815 110 T HA 0.527 4.873 4.350 -0.007 0.000 0.289 110 T C -0.890 173.842 174.700 0.054 0.000 1.000 110 T CA -0.497 61.623 62.100 0.034 0.000 0.958 110 T CB 1.359 70.230 68.868 0.004 0.000 0.944 110 T HN 0.611 8.851 8.240 0.000 0.000 0.442 111 V N 5.535 125.500 119.914 0.085 0.000 2.370 111 V HA 0.703 4.819 4.120 -0.007 0.000 0.279 111 V C 0.587 176.756 176.094 0.125 0.000 1.029 111 V CA 0.647 62.997 62.300 0.083 0.000 0.870 111 V CB 1.003 32.862 31.823 0.061 0.000 0.984 111 V HN 1.131 9.321 8.190 0.000 0.000 0.451 112 S N 4.235 120.016 115.700 0.136 0.000 3.226 112 S HA 0.218 4.684 4.470 -0.007 0.000 0.195 112 S C 1.295 175.948 174.600 0.089 0.000 0.793 112 S CA 0.772 59.089 58.200 0.195 0.000 0.816 112 S CB 0.283 63.678 63.200 0.326 0.000 0.847 112 S HN 1.920 10.230 8.310 0.000 0.000 0.630 113 S N 0.826 116.567 115.700 0.069 0.000 1.620 113 S HA -0.195 4.271 4.470 -0.007 0.000 0.239 113 S C -0.127 174.460 174.600 -0.022 0.000 0.823 113 S CA 1.361 59.571 58.200 0.017 0.000 1.359 113 S CB -2.305 60.892 63.200 -0.006 0.000 1.678 113 S HN 0.794 9.104 8.310 0.000 0.000 0.521 114 K N 1.939 122.278 120.400 -0.102 0.000 2.469 114 K HA 0.274 4.590 4.320 -0.007 0.000 0.274 114 K C 0.276 176.824 176.600 -0.087 0.000 0.983 114 K CA 0.834 56.944 56.287 -0.295 0.000 0.974 114 K CB 0.388 32.311 32.500 -0.961 0.000 0.913 114 K HN 0.328 8.578 8.250 0.000 0.000 0.493 115 T N 0.756 115.272 114.554 -0.062 0.000 2.922 115 T HA 0.064 4.410 4.350 -0.007 0.000 0.285 115 T C -0.236 174.609 174.700 0.241 0.000 1.005 115 T CA -0.613 61.541 62.100 0.090 0.000 1.061 115 T CB 0.908 69.804 68.868 0.047 0.000 1.007 115 T HN 0.623 8.863 8.240 0.000 0.000 0.502 116 T N 3.414 118.137 114.554 0.283 0.000 2.834 116 T HA 0.410 4.756 4.350 -0.007 0.000 0.298 116 T C -0.457 174.405 174.700 0.271 0.000 0.966 116 T CA -0.232 62.075 62.100 0.345 0.000 1.141 116 T CB -0.013 68.991 68.868 0.226 0.000 0.905 116 T HN 0.509 8.749 8.240 0.000 0.000 0.535 117 K N 3.165 123.761 120.400 0.327 0.000 2.324 117 K HA 0.712 5.028 4.320 -0.007 0.000 0.253 117 K C -0.193 176.536 176.600 0.216 0.000 0.932 117 K CA -0.554 55.867 56.287 0.223 0.000 0.799 117 K CB 1.994 34.594 32.500 0.167 0.000 1.154 117 K HN 0.839 9.089 8.250 0.000 0.000 0.425 118 A N 3.892 126.806 122.820 0.156 0.000 2.407 118 A HA 0.391 4.707 4.320 -0.007 0.000 0.248 118 A C -2.159 175.423 177.584 -0.003 0.000 1.082 118 A CA -0.940 51.154 52.037 0.094 0.000 0.785 118 A CB -0.372 18.680 19.000 0.086 0.000 1.020 118 A HN 0.486 8.636 8.150 0.000 0.000 0.489 119 P HA 0.249 4.669 4.420 0.000 0.000 0.277 119 P C -0.553 176.677 177.300 -0.117 0.000 1.240 119 P CA -0.274 62.787 63.100 -0.065 0.000 0.798 119 P CB 1.075 32.658 31.700 -0.195 0.000 0.979 120 S N 0.630 116.229 115.700 -0.168 0.000 2.499 120 S HA 0.328 4.794 4.470 -0.007 0.000 0.279 120 S C -0.012 174.219 174.600 -0.615 0.000 1.219 120 S CA -0.532 57.432 58.200 -0.393 0.000 1.062 120 S CB 0.444 63.375 63.200 -0.448 0.000 0.978 120 S HN 0.192 8.502 8.310 0.000 0.000 0.489 121 V N 5.041 124.617 119.914 -0.563 0.000 2.334 121 V HA 0.351 4.467 4.120 -0.007 0.000 0.281 121 V C -1.357 174.541 176.094 -0.326 0.000 1.016 121 V CA -0.659 61.404 62.300 -0.394 0.000 0.832 121 V CB 0.139 31.836 31.823 -0.210 0.000 0.999 121 V HN 0.743 8.933 8.190 0.000 0.000 0.439 122 Y N 5.834 126.143 120.300 0.016 0.000 2.331 122 Y HA 0.554 5.101 4.550 -0.006 0.000 0.338 122 Y C -2.284 173.640 175.900 0.040 0.000 0.992 122 Y CA -3.617 54.501 58.100 0.029 0.000 1.121 122 Y CB 1.389 39.870 38.460 0.035 0.000 1.184 122 Y HN 0.444 8.724 8.280 0.000 0.000 0.469 123 P HA 0.249 4.669 4.420 0.000 0.000 0.276 123 P C -0.852 176.539 177.300 0.152 0.000 1.230 123 P CA -0.138 63.060 63.100 0.164 0.000 0.776 123 P CB 0.807 32.597 31.700 0.150 0.000 0.888 124 L N 2.215 123.521 121.223 0.138 0.000 2.324 124 L HA 0.609 4.945 4.340 -0.007 0.000 0.274 124 L C 0.353 177.246 176.870 0.037 0.000 1.012 124 L CA -0.840 54.055 54.840 0.093 0.000 0.859 124 L CB 1.187 43.305 42.059 0.098 0.000 1.224 124 L HN 0.333 8.563 8.230 0.000 0.000 0.429 125 A N 4.383 127.234 122.820 0.051 0.000 2.310 125 A HA 0.815 5.131 4.320 -0.007 0.000 0.299 125 A C -2.225 175.384 177.584 0.041 0.000 1.147 125 A CA -1.189 50.873 52.037 0.043 0.000 0.818 125 A CB 0.094 19.196 19.000 0.171 0.000 1.096 125 A HN 0.455 8.605 8.150 0.000 0.000 0.495 126 P HA 0.311 4.731 4.420 0.000 0.000 0.272 126 P C 0.061 177.406 177.300 0.074 0.000 1.223 126 P CA -0.405 62.719 63.100 0.039 0.000 0.784 126 P CB 0.404 32.133 31.700 0.048 0.000 0.923 136 V N 3.910 123.835 119.914 0.019 0.000 2.459 136 V HA 0.743 4.859 4.120 -0.007 0.000 0.295 136 V C -1.274 174.780 176.094 -0.066 0.000 1.029 136 V CA 0.256 62.562 62.300 0.010 0.000 0.874 136 V CB 1.480 33.356 31.823 0.088 0.000 0.985 136 V HN 0.593 8.783 8.190 0.000 0.000 0.438 137 T N 8.165 122.667 114.554 -0.086 0.000 2.786 137 T HA 0.654 5.000 4.350 -0.007 0.000 0.283 137 T C -0.694 173.887 174.700 -0.199 0.000 0.992 137 T CA -0.238 61.785 62.100 -0.130 0.000 0.954 137 T CB 1.150 69.982 68.868 -0.061 0.000 0.934 137 T HN 0.397 8.637 8.240 0.000 0.000 0.440 138 L N 2.149 123.184 121.223 -0.314 0.000 2.331 138 L HA 0.944 5.280 4.340 -0.007 0.000 0.268 138 L C 0.772 177.536 176.870 -0.177 0.000 1.015 138 L CA -0.297 54.334 54.840 -0.349 0.000 0.807 138 L CB 1.515 43.208 42.059 -0.609 0.000 1.293 138 L HN 0.828 9.058 8.230 0.000 0.000 0.451 139 G N -1.348 107.459 108.800 0.011 0.000 2.695 139 G HA2 0.576 4.532 3.960 -0.007 0.000 0.290 139 G HA3 0.576 4.532 3.960 -0.007 0.000 0.290 139 G C -2.097 173.047 174.900 0.407 0.000 1.410 139 G CA -0.454 44.783 45.100 0.229 0.000 0.844 139 G HN 0.675 8.965 8.290 0.000 0.000 0.478 140 c N 1.015 119.845 118.600 0.384 0.000 2.607 140 c HA 0.695 5.261 4.570 -0.007 0.000 0.350 140 c C -1.150 173.028 174.090 0.146 0.000 1.101 140 c CA -0.727 55.720 56.329 0.197 0.000 1.282 140 c CB 0.115 42.589 42.510 -0.059 0.000 1.825 140 c HN 0.823 9.053 8.230 0.000 0.000 0.460 141 L N 6.949 128.254 121.223 0.136 0.000 2.296 141 L HA 0.781 5.117 4.340 -0.007 0.000 0.286 141 L C -0.690 176.222 176.870 0.070 0.000 1.023 141 L CA 0.047 54.973 54.840 0.143 0.000 0.812 141 L CB 1.695 43.882 42.059 0.213 0.000 1.223 141 L HN 0.532 8.762 8.230 0.000 0.000 0.421 142 V N 5.598 125.554 119.914 0.070 0.000 2.326 142 V HA 0.483 4.599 4.120 -0.007 0.000 0.281 142 V C -0.178 176.001 176.094 0.142 0.000 1.015 142 V CA -0.671 61.647 62.300 0.030 0.000 0.823 142 V CB 1.041 32.873 31.823 0.016 0.000 1.009 142 V HN 0.757 8.947 8.190 0.000 0.000 0.436 143 K N 3.034 123.472 120.400 0.062 0.000 2.324 143 K HA 0.667 4.983 4.320 -0.007 0.000 0.253 143 K C 0.596 177.252 176.600 0.094 0.000 0.932 143 K CA 0.147 56.499 56.287 0.108 0.000 0.799 143 K CB 1.782 34.377 32.500 0.159 0.000 1.154 143 K HN 0.898 9.148 8.250 0.000 0.000 0.425 144 G N 3.077 111.917 108.800 0.066 0.000 2.248 144 G HA2 -0.257 3.699 3.960 -0.007 0.000 0.263 144 G HA3 -0.257 3.699 3.960 -0.007 0.000 0.263 144 G C -0.905 174.047 174.900 0.087 0.000 1.082 144 G CA 0.747 45.873 45.100 0.044 0.000 0.863 144 G HN 0.629 8.919 8.290 0.000 0.000 0.495 145 Y N -1.818 118.504 120.300 0.035 0.000 2.468 145 Y HA 0.869 5.415 4.550 -0.006 0.000 0.342 145 Y C -0.598 175.445 175.900 0.239 0.000 1.021 145 Y CA -3.182 54.899 58.100 -0.032 0.000 1.079 145 Y CB 1.587 39.812 38.460 -0.392 0.000 1.226 145 Y HN 0.374 8.654 8.280 0.000 0.000 0.460 146 F N 5.133 125.226 119.950 0.238 0.000 2.615 146 F HA 0.680 5.203 4.527 -0.007 0.000 0.312 146 F C -2.907 173.131 175.800 0.397 0.000 1.119 146 F CA -2.106 56.082 58.000 0.313 0.000 0.979 146 F CB 2.534 41.644 39.000 0.184 0.000 1.266 146 F HN 0.461 8.761 8.300 0.000 0.000 0.444 147 P HA 0.255 4.675 4.420 0.000 0.000 0.336 147 P C -0.996 176.242 177.300 -0.104 0.000 1.288 147 P CA -0.270 62.363 63.100 -0.778 0.000 0.766 147 P CB 1.124 32.202 31.700 -1.037 0.000 1.461 148 E N 0.114 120.104 120.200 -0.351 0.000 2.392 148 E HA 0.222 4.568 4.350 -0.007 0.000 0.259 148 E C -1.751 174.791 176.600 -0.097 0.000 1.108 148 E CA -0.798 55.491 56.400 -0.184 0.000 0.916 148 E CB -0.275 29.205 29.700 -0.366 0.000 0.989 148 E HN 0.429 8.789 8.360 0.000 0.000 0.432 149 P HA 0.344 4.764 4.420 0.000 0.000 0.293 149 P C -0.979 176.304 177.300 -0.028 0.000 1.305 149 P CA -0.620 62.463 63.100 -0.029 0.000 0.874 149 P CB 1.384 33.054 31.700 -0.050 0.000 1.288 150 V N -3.447 116.389 119.914 -0.129 0.000 2.864 150 V HA 0.846 4.962 4.120 -0.007 0.000 0.314 150 V C -0.276 175.735 176.094 -0.137 0.000 1.073 150 V CA -0.772 61.401 62.300 -0.211 0.000 0.956 150 V CB 1.205 32.707 31.823 -0.535 0.000 1.023 150 V HN 0.746 8.936 8.190 0.000 0.000 0.435 151 T N 1.925 116.403 114.554 -0.126 0.000 2.770 151 T HA 0.719 5.065 4.350 -0.007 0.000 0.283 151 T C -0.719 173.902 174.700 -0.133 0.000 0.988 151 T CA -0.420 61.619 62.100 -0.101 0.000 0.957 151 T CB 1.252 70.074 68.868 -0.077 0.000 0.930 151 T HN 1.012 9.252 8.240 0.000 0.000 0.443 152 L N 2.912 124.056 121.223 -0.132 0.000 2.329 152 L HA 0.830 5.166 4.340 -0.007 0.000 0.279 152 L C -0.343 176.407 176.870 -0.200 0.000 1.014 152 L CA -0.153 54.568 54.840 -0.199 0.000 0.814 152 L CB 2.107 44.047 42.059 -0.199 0.000 1.257 152 L HN 0.912 9.142 8.230 0.000 0.000 0.424 153 T N 2.389 116.767 114.554 -0.293 0.000 2.868 153 T HA 0.516 4.863 4.350 -0.007 0.000 0.306 153 T C -2.066 172.425 174.700 -0.349 0.000 1.224 153 T CA -0.330 61.645 62.100 -0.208 0.000 1.012 153 T CB 0.891 69.706 68.868 -0.089 0.000 1.221 153 T HN 0.561 8.801 8.240 0.000 0.000 0.499 154 W N 2.642 123.930 121.300 -0.019 0.000 2.475 154 W HA 0.471 5.128 4.660 -0.005 0.000 0.317 154 W C 0.504 177.018 176.519 -0.008 0.000 1.046 154 W CA -0.482 56.854 57.345 -0.015 0.000 1.215 154 W CB 0.819 30.265 29.460 -0.023 0.000 1.335 154 W HN 0.743 8.923 8.180 0.000 0.000 0.471 155 N N 2.020 120.857 118.700 0.228 0.000 2.727 155 N HA -0.243 4.493 4.740 -0.007 0.000 0.249 155 N C 0.192 175.752 175.510 0.084 0.000 1.048 155 N CA 1.685 54.821 53.050 0.142 0.000 0.714 155 N CB -1.602 36.974 38.487 0.148 0.000 0.959 155 N HN 0.523 8.903 8.380 0.000 0.000 0.544 156 S N -2.981 112.747 115.700 0.046 0.000 3.587 156 S HA -0.162 4.304 4.470 -0.007 0.000 0.337 156 S C 1.439 176.056 174.600 0.029 0.000 1.119 156 S CA 1.774 59.986 58.200 0.019 0.000 0.976 156 S CB -1.519 61.691 63.200 0.017 0.000 0.922 156 S HN 1.563 9.873 8.310 0.000 0.000 0.503 157 G N -0.570 108.260 108.800 0.052 0.000 2.284 157 G HA2 -0.349 3.607 3.960 -0.007 0.000 0.230 157 G HA3 -0.349 3.607 3.960 -0.007 0.000 0.230 157 G C 0.933 175.869 174.900 0.059 0.000 1.021 157 G CA 0.635 45.767 45.100 0.052 0.000 0.619 157 G HN 0.913 9.203 8.290 0.000 0.000 0.510 158 S N -0.505 115.231 115.700 0.059 0.000 2.402 158 S HA -0.001 4.465 4.470 -0.007 0.000 0.233 158 S C 0.881 175.514 174.600 0.056 0.000 1.030 158 S CA 1.421 59.652 58.200 0.052 0.000 1.003 158 S CB -0.029 63.202 63.200 0.052 0.000 0.813 158 S HN 0.795 9.105 8.310 0.000 0.000 0.477 159 L N 1.696 122.972 121.223 0.089 0.000 2.277 159 L HA 0.437 4.773 4.340 -0.007 0.000 0.284 159 L C 0.616 177.535 176.870 0.081 0.000 1.028 159 L CA -0.023 54.861 54.840 0.073 0.000 0.835 159 L CB 0.999 43.112 42.059 0.088 0.000 1.215 159 L HN 0.068 8.298 8.230 0.000 0.000 0.425 160 S N 0.504 116.218 115.700 0.024 0.000 2.727 160 S HA 0.174 4.640 4.470 -0.007 0.000 0.249 160 S C 0.503 175.075 174.600 -0.046 0.000 1.079 160 S CA 0.313 58.520 58.200 0.013 0.000 0.912 160 S CB -0.161 63.046 63.200 0.012 0.000 0.861 160 S HN 0.608 8.918 8.310 0.000 0.000 0.484 161 S N 1.037 116.703 115.700 -0.056 0.000 2.545 161 S HA 0.608 5.074 4.470 -0.007 0.000 0.275 161 S C 1.182 175.715 174.600 -0.111 0.000 1.299 161 S CA 0.178 58.329 58.200 -0.081 0.000 1.048 161 S CB 0.551 63.719 63.200 -0.054 0.000 0.938 161 S HN 1.702 10.012 8.310 0.000 0.000 0.496 162 G N 0.988 109.705 108.800 -0.138 0.000 2.157 162 G HA2 -0.212 3.745 3.960 -0.007 0.000 0.248 162 G HA3 -0.212 3.745 3.960 -0.007 0.000 0.248 162 G C -0.064 174.724 174.900 -0.186 0.000 0.979 162 G CA -0.031 44.989 45.100 -0.134 0.000 0.650 162 G HN 1.080 9.370 8.290 0.000 0.000 0.529 163 V N 0.582 120.348 119.914 -0.247 0.000 2.481 163 V HA 0.658 4.774 4.120 -0.007 0.000 0.286 163 V C 0.083 175.949 176.094 -0.380 0.000 1.042 163 V CA -0.519 61.652 62.300 -0.215 0.000 0.928 163 V CB 1.520 33.297 31.823 -0.078 0.000 0.986 163 V HN 0.392 8.582 8.190 0.000 0.000 0.462 164 H N 1.199 120.222 119.070 -0.079 0.000 2.823 164 H HA 0.520 5.072 4.556 -0.006 0.000 0.332 164 H C -0.397 174.742 175.328 -0.315 0.000 0.980 164 H CA -0.288 55.610 56.048 -0.250 0.000 1.286 164 H CB 1.608 31.187 29.762 -0.305 0.000 1.541 164 H HN 0.639 8.919 8.280 0.000 0.000 0.521 165 T N 4.248 118.662 114.554 -0.234 0.000 2.797 165 T HA 0.368 4.714 4.350 -0.007 0.000 0.279 165 T C -0.526 174.025 174.700 -0.248 0.000 0.991 165 T CA -0.609 61.426 62.100 -0.108 0.000 0.979 165 T CB 0.403 69.285 68.868 0.023 0.000 0.943 165 T HN 0.210 8.450 8.240 0.000 0.000 0.444 166 F N 3.013 123.035 119.950 0.121 0.000 2.422 166 F HA 0.463 4.985 4.527 -0.007 0.000 0.333 166 F C -1.943 173.914 175.800 0.095 0.000 1.095 166 F CA -2.749 55.313 58.000 0.103 0.000 1.038 166 F CB 0.460 39.517 39.000 0.095 0.000 1.156 166 F HN 0.309 8.609 8.300 0.000 0.000 0.483 167 P HA 0.109 4.529 4.420 0.000 0.000 0.264 167 P C -0.655 176.764 177.300 0.198 0.000 1.193 167 P CA -0.162 63.046 63.100 0.180 0.000 0.763 167 P CB 0.371 32.163 31.700 0.154 0.000 0.810 168 A N 3.246 126.176 122.820 0.183 0.000 2.507 168 A HA 0.324 4.640 4.320 -0.007 0.000 0.235 168 A C -0.091 177.634 177.584 0.236 0.000 1.070 168 A CA 0.186 52.354 52.037 0.218 0.000 0.768 168 A CB 0.014 19.134 19.000 0.198 0.000 1.011 168 A HN 0.393 8.543 8.150 0.000 0.000 0.502 169 V N 2.681 122.733 119.914 0.230 0.000 2.709 169 V HA 0.401 4.517 4.120 -0.007 0.000 0.308 169 V C -0.508 175.631 176.094 0.075 0.000 1.062 169 V CA -0.652 61.746 62.300 0.163 0.000 0.901 169 V CB 1.525 33.399 31.823 0.085 0.000 1.003 169 V HN 0.889 9.079 8.190 0.000 0.000 0.425 170 L N 5.049 126.235 121.223 -0.061 0.000 2.312 170 L HA 0.733 5.069 4.340 -0.007 0.000 0.281 170 L C -0.246 176.490 176.870 -0.223 0.000 1.070 170 L CA 0.335 54.934 54.840 -0.402 0.000 0.805 170 L CB 1.308 43.017 42.059 -0.583 0.000 1.174 170 L HN 0.915 9.145 8.230 0.000 0.000 0.434 171 Q N 2.345 122.003 119.800 -0.236 0.000 2.284 171 Q HA 0.529 4.865 4.340 -0.007 0.000 0.269 171 Q C -0.517 175.388 176.000 -0.158 0.000 1.026 171 Q CA -0.581 55.133 55.803 -0.149 0.000 0.831 171 Q CB 1.378 30.060 28.738 -0.092 0.000 1.322 171 Q HN 0.592 8.862 8.270 0.000 0.000 0.419 172 S N 2.803 118.423 115.700 -0.134 0.000 3.405 172 S HA -0.191 4.275 4.470 -0.007 0.000 0.373 172 S C -0.280 174.212 174.600 -0.180 0.000 0.939 172 S CA 1.257 59.378 58.200 -0.131 0.000 1.295 172 S CB -1.405 61.738 63.200 -0.095 0.000 0.919 172 S HN 1.004 9.314 8.310 0.000 0.000 0.535 173 D N -2.092 118.164 120.400 -0.240 0.000 3.006 173 D HA -0.191 4.445 4.640 -0.007 0.000 0.208 173 D C -0.333 175.758 176.300 -0.348 0.000 1.116 173 D CA 1.531 55.317 54.000 -0.356 0.000 0.998 173 D CB -0.600 39.985 40.800 -0.359 0.000 1.124 173 D HN 0.467 8.837 8.370 0.000 0.000 0.413 174 L N -0.380 120.683 121.223 -0.268 0.000 2.370 174 L HA 0.499 4.835 4.340 -0.007 0.000 0.266 174 L C -0.314 176.360 176.870 -0.327 0.000 1.002 174 L CA -1.009 53.720 54.840 -0.186 0.000 0.818 174 L CB 1.355 43.351 42.059 -0.105 0.000 1.325 174 L HN -0.122 8.108 8.230 0.000 0.000 0.418 175 Y N 0.029 120.154 120.300 -0.290 0.000 2.387 175 Y HA 0.647 5.193 4.550 -0.006 0.000 0.330 175 Y C 0.569 176.212 175.900 -0.428 0.000 1.133 175 Y CA -0.315 57.509 58.100 -0.460 0.000 1.152 175 Y CB 2.176 40.099 38.460 -0.895 0.000 1.215 175 Y HN 0.538 8.818 8.280 0.000 0.000 0.466 176 T N 4.034 118.580 114.554 -0.013 0.000 2.893 176 T HA 0.616 4.962 4.350 -0.007 0.000 0.293 176 T C -2.081 172.731 174.700 0.186 0.000 1.027 176 T CA -0.648 61.507 62.100 0.091 0.000 0.988 176 T CB 1.071 69.983 68.868 0.073 0.000 1.043 176 T HN 0.490 8.730 8.240 0.000 0.000 0.461 177 L N 3.725 125.097 121.223 0.248 0.000 2.409 177 L HA 0.898 5.234 4.340 -0.007 0.000 0.262 177 L C -0.874 176.112 176.870 0.194 0.000 0.992 177 L CA -0.291 54.696 54.840 0.244 0.000 0.817 177 L CB 2.012 44.242 42.059 0.286 0.000 1.350 177 L HN 1.032 9.262 8.230 0.000 0.000 0.411 178 S N 1.768 117.606 115.700 0.230 0.000 2.564 178 S HA 0.823 5.289 4.470 -0.007 0.000 0.274 178 S C -0.972 173.867 174.600 0.398 0.000 1.124 178 S CA -0.624 57.725 58.200 0.249 0.000 0.869 178 S CB 1.979 65.277 63.200 0.164 0.000 1.105 178 S HN 0.771 9.081 8.310 0.000 0.000 0.472 179 S N 0.772 116.703 115.700 0.385 0.000 2.540 179 S HA 0.822 5.288 4.470 -0.007 0.000 0.275 179 S C -0.934 173.992 174.600 0.543 0.000 1.123 179 S CA -0.308 58.182 58.200 0.483 0.000 0.907 179 S CB 1.450 64.903 63.200 0.422 0.000 1.081 179 S HN 1.583 9.893 8.310 0.000 0.000 0.476 180 S N 2.146 118.117 115.700 0.452 0.000 2.568 180 S HA 0.859 5.325 4.470 -0.007 0.000 0.293 180 S C -1.089 173.484 174.600 -0.045 0.000 1.089 180 S CA -0.731 57.605 58.200 0.226 0.000 0.945 180 S CB 1.574 64.922 63.200 0.248 0.000 1.077 180 S HN 1.126 9.436 8.310 0.000 0.000 0.485 181 V N 1.808 121.498 119.914 -0.374 0.000 2.686 181 V HA 0.699 4.815 4.120 -0.007 0.000 0.306 181 V C -1.154 174.722 176.094 -0.364 0.000 1.065 181 V CA -0.125 61.853 62.300 -0.538 0.000 0.894 181 V CB 2.168 33.286 31.823 -1.175 0.000 1.004 181 V HN 1.129 9.319 8.190 0.000 0.000 0.424 182 T N 6.667 121.090 114.554 -0.218 0.000 2.772 182 T HA 0.638 4.984 4.350 -0.007 0.000 0.288 182 T C -0.219 174.407 174.700 -0.123 0.000 0.994 182 T CA -0.227 61.790 62.100 -0.139 0.000 0.951 182 T CB 1.158 69.996 68.868 -0.050 0.000 0.933 182 T HN 0.999 9.239 8.240 0.000 0.000 0.447 183 V N 0.843 120.690 119.914 -0.112 0.000 3.229 183 V HA 0.892 5.008 4.120 -0.007 0.000 0.310 183 V C 0.429 176.517 176.094 -0.010 0.000 1.206 183 V CA -1.195 61.071 62.300 -0.058 0.000 1.051 183 V CB 1.232 33.026 31.823 -0.048 0.000 1.183 183 V HN 0.824 9.014 8.190 0.000 0.000 0.466 184 T N -1.798 112.766 114.554 0.015 0.000 2.899 184 T HA 0.322 4.668 4.350 -0.007 0.000 0.284 184 T C 1.008 175.745 174.700 0.063 0.000 1.004 184 T CA 0.307 62.426 62.100 0.031 0.000 1.043 184 T CB 1.095 69.978 68.868 0.024 0.000 1.013 184 T HN 0.783 9.023 8.240 0.000 0.000 0.518 185 S N 1.217 116.954 115.700 0.061 0.000 2.419 185 S HA -0.087 4.379 4.470 -0.007 0.000 0.233 185 S C 2.150 176.791 174.600 0.068 0.000 1.016 185 S CA 1.061 59.309 58.200 0.080 0.000 0.974 185 S CB -0.491 62.743 63.200 0.058 0.000 0.786 185 S HN 0.795 9.105 8.310 0.000 0.000 0.492 186 S N 0.971 116.700 115.700 0.048 0.000 2.515 186 S HA -0.011 4.455 4.470 -0.007 0.000 0.231 186 S C 1.761 176.389 174.600 0.046 0.000 0.987 186 S CA 0.827 59.047 58.200 0.034 0.000 0.936 186 S CB -0.225 62.989 63.200 0.024 0.000 0.766 186 S HN 0.551 8.861 8.310 0.000 0.000 0.528 187 T N -0.345 114.257 114.554 0.079 0.000 2.983 187 T HA 0.106 4.452 4.350 -0.007 0.000 0.250 187 T C -0.054 174.754 174.700 0.179 0.000 1.037 187 T CA 0.360 62.523 62.100 0.104 0.000 1.142 187 T CB 0.119 69.045 68.868 0.096 0.000 0.876 187 T HN 0.557 8.797 8.240 0.000 0.000 0.455 188 W N 1.729 123.022 121.300 -0.011 0.000 2.915 188 W HA 0.460 5.115 4.660 -0.007 0.000 0.337 188 W C -2.653 173.866 176.519 -0.001 0.000 1.102 188 W CA -2.145 55.197 57.345 -0.005 0.000 1.224 188 W CB 1.611 31.063 29.460 -0.014 0.000 1.416 188 W HN -0.163 8.017 8.180 0.000 0.000 0.503 189 P HA -0.018 4.402 4.420 0.000 0.000 0.255 189 P C 1.254 178.226 177.300 -0.548 0.000 1.301 189 P CA 0.892 63.110 63.100 -1.470 0.000 0.817 189 P CB 0.169 30.977 31.700 -1.487 0.000 1.259 190 S N -0.874 114.681 115.700 -0.242 0.000 2.354 190 S HA -0.178 4.288 4.470 -0.007 0.000 0.219 190 S C 1.069 175.639 174.600 -0.051 0.000 1.035 190 S CA 0.862 58.994 58.200 -0.113 0.000 1.037 190 S CB -1.023 62.148 63.200 -0.047 0.000 0.956 190 S HN 0.210 8.520 8.310 0.000 0.000 0.428 191 Q N 2.134 121.951 119.800 0.027 0.000 2.267 191 Q HA 0.388 4.724 4.340 -0.007 0.000 0.255 191 Q C -0.167 175.937 176.000 0.174 0.000 0.923 191 Q CA -0.364 55.490 55.803 0.084 0.000 0.925 191 Q CB 1.461 30.258 28.738 0.097 0.000 1.195 191 Q HN 0.678 8.948 8.270 0.000 0.000 0.417 192 S N 3.178 118.968 115.700 0.150 0.000 2.560 192 S HA 0.281 4.747 4.470 -0.007 0.000 0.284 192 S C -0.088 174.675 174.600 0.271 0.000 1.327 192 S CA -0.255 58.078 58.200 0.222 0.000 1.055 192 S CB 0.315 63.603 63.200 0.147 0.000 0.868 192 S HN 0.496 8.806 8.310 0.000 0.000 0.506 193 I N 2.539 123.317 120.570 0.348 0.000 2.466 193 I HA 0.391 4.557 4.170 -0.007 0.000 0.289 193 I C -0.084 176.208 176.117 0.292 0.000 1.026 193 I CA -0.393 61.062 61.300 0.257 0.000 1.078 193 I CB 2.371 40.426 38.000 0.093 0.000 1.249 193 I HN 0.846 9.056 8.210 0.000 0.000 0.429 194 T N 4.698 119.432 114.554 0.300 0.000 2.886 194 T HA 0.351 4.697 4.350 -0.007 0.000 0.292 194 T C -0.970 173.802 174.700 0.120 0.000 1.012 194 T CA -0.504 61.724 62.100 0.214 0.000 0.982 194 T CB 1.451 70.393 68.868 0.123 0.000 1.018 194 T HN 0.697 8.937 8.240 0.000 0.000 0.451 195 c N 5.312 123.851 118.600 -0.101 0.000 2.347 195 c HA 0.662 5.228 4.570 -0.007 0.000 0.353 195 c C -0.057 173.827 174.090 -0.342 0.000 1.273 195 c CA -0.525 55.468 56.329 -0.559 0.000 1.861 195 c CB -1.698 40.395 42.510 -0.695 0.000 2.420 195 c HN 0.973 9.203 8.230 0.000 0.000 0.542 196 N N 3.765 122.246 118.700 -0.365 0.000 2.372 196 N HA 0.681 5.417 4.740 -0.007 0.000 0.291 196 N C -1.439 173.927 175.510 -0.239 0.000 1.024 196 N CA -0.605 52.310 53.050 -0.224 0.000 0.873 196 N CB 1.870 40.269 38.487 -0.148 0.000 1.206 196 N HN 0.440 8.820 8.380 0.000 0.000 0.486 197 V N 0.884 120.687 119.914 -0.186 0.000 2.623 197 V HA 0.781 4.897 4.120 -0.007 0.000 0.304 197 V C -0.637 175.376 176.094 -0.135 0.000 1.054 197 V CA -0.792 61.399 62.300 -0.183 0.000 0.882 197 V CB 1.537 33.236 31.823 -0.206 0.000 1.002 197 V HN 0.829 9.019 8.190 0.000 0.000 0.424 198 A N 2.729 125.475 122.820 -0.124 0.000 2.337 198 A HA 0.821 5.137 4.320 -0.007 0.000 0.329 198 A C -0.934 176.611 177.584 -0.064 0.000 1.146 198 A CA -0.440 51.546 52.037 -0.086 0.000 0.800 198 A CB 0.923 19.876 19.000 -0.079 0.000 1.220 198 A HN 1.059 9.209 8.150 0.000 0.000 0.472 199 H N 3.112 122.083 119.070 -0.164 0.000 2.607 199 H HA 0.415 4.967 4.556 -0.006 0.000 0.248 199 H C -2.483 172.779 175.328 -0.109 0.000 1.355 199 H CA -1.845 54.096 56.048 -0.179 0.000 1.524 199 H CB 1.204 30.844 29.762 -0.204 0.000 1.563 199 H HN 0.325 8.605 8.280 0.000 0.000 0.509 200 P HA -0.247 4.173 4.420 0.000 0.000 0.216 200 P C 1.454 178.569 177.300 -0.308 0.000 1.157 200 P CA 2.363 65.322 63.100 -0.234 0.000 0.880 200 P CB 0.156 31.747 31.700 -0.182 0.000 0.791 201 A N -0.208 122.300 122.820 -0.520 0.000 1.958 201 A HA -0.221 4.095 4.320 -0.007 0.000 0.221 201 A C 2.056 179.496 177.584 -0.241 0.000 1.178 201 A CA 2.599 54.399 52.037 -0.395 0.000 0.642 201 A CB -1.385 17.339 19.000 -0.459 0.000 0.816 201 A HN 0.400 8.550 8.150 0.000 0.000 0.453 202 S N -3.042 112.508 115.700 -0.251 0.000 2.650 202 S HA 0.387 4.853 4.470 -0.007 0.000 0.240 202 S C 0.468 175.057 174.600 -0.018 0.000 1.007 202 S CA 0.683 58.872 58.200 -0.017 0.000 0.984 202 S CB -0.040 63.261 63.200 0.169 0.000 0.910 202 S HN 0.718 9.028 8.310 0.000 0.000 0.509 203 S N 1.607 117.262 115.700 -0.075 0.000 3.682 203 S HA -0.137 4.329 4.470 -0.007 0.000 0.354 203 S C 0.322 174.909 174.600 -0.022 0.000 1.034 203 S CA 1.020 59.190 58.200 -0.050 0.000 1.084 203 S CB -2.220 60.959 63.200 -0.035 0.000 0.903 203 S HN 1.162 9.472 8.310 0.000 0.000 0.470 204 T N -0.462 114.090 114.554 -0.003 0.000 2.824 204 T HA 0.654 5.000 4.350 -0.007 0.000 0.280 204 T C -0.725 173.963 174.700 -0.020 0.000 0.995 204 T CA -0.679 61.423 62.100 0.005 0.000 1.009 204 T CB 1.371 70.259 68.868 0.033 0.000 0.955 204 T HN 0.253 8.493 8.240 0.000 0.000 0.452 205 K N 3.075 123.457 120.400 -0.031 0.000 2.545 205 K HA 0.620 4.937 4.320 -0.007 0.000 0.252 205 K C -1.451 175.120 176.600 -0.049 0.000 0.948 205 K CA -0.867 55.392 56.287 -0.046 0.000 0.827 205 K CB 2.442 34.917 32.500 -0.042 0.000 1.128 205 K HN 0.494 8.744 8.250 0.000 0.000 0.429 206 V N 2.512 122.385 119.914 -0.069 0.000 2.604 206 V HA 0.306 4.422 4.120 -0.007 0.000 0.305 206 V C -0.829 175.218 176.094 -0.078 0.000 1.043 206 V CA -0.931 61.329 62.300 -0.068 0.000 0.888 206 V CB 2.080 33.853 31.823 -0.083 0.000 0.995 206 V HN 0.682 8.872 8.190 0.000 0.000 0.429 207 D N 3.851 124.220 120.400 -0.052 0.000 2.278 207 D HA 0.505 5.141 4.640 -0.007 0.000 0.245 207 D C -0.490 175.794 176.300 -0.027 0.000 1.052 207 D CA -0.533 53.439 54.000 -0.046 0.000 0.834 207 D CB 1.998 42.787 40.800 -0.020 0.000 1.194 207 D HN 0.223 8.593 8.370 0.000 0.000 0.481 208 K N 1.860 122.241 120.400 -0.031 0.000 2.535 208 K HA 0.230 4.546 4.320 -0.007 0.000 0.253 208 K C -0.216 176.420 176.600 0.061 0.000 0.953 208 K CA -0.595 55.700 56.287 0.013 0.000 0.863 208 K CB 2.421 34.923 32.500 0.003 0.000 1.111 208 K HN 0.271 8.521 8.250 0.000 0.000 0.431 209 K N 3.746 124.203 120.400 0.095 0.000 2.322 209 K HA 0.210 4.526 4.320 -0.007 0.000 0.283 209 K C 0.009 176.724 176.600 0.192 0.000 1.042 209 K CA -0.507 55.869 56.287 0.149 0.000 0.958 209 K CB 0.570 33.153 32.500 0.138 0.000 0.984 209 K HN 0.389 8.639 8.250 0.000 0.000 0.473 210 I N 5.481 126.203 120.570 0.254 0.000 2.329 210 I HA 0.081 4.247 4.170 -0.007 0.000 0.295 210 I C 0.213 176.612 176.117 0.470 0.000 1.109 210 I CA 0.107 61.568 61.300 0.268 0.000 1.297 210 I CB 0.226 38.280 38.000 0.090 0.000 1.433 210 I HN 0.540 8.750 8.210 0.000 0.000 0.509 211 E N 7.376 127.791 120.200 0.357 0.000 2.197 211 E HA 0.446 4.792 4.350 -0.007 0.000 0.281 211 E C -1.975 174.846 176.600 0.368 0.000 0.995 211 E CA -1.646 54.950 56.400 0.327 0.000 0.808 211 E CB 0.976 30.782 29.700 0.177 0.000 1.093 211 E HN 0.319 8.679 8.360 0.000 0.000 0.394 212 P HA 0.000 4.420 4.420 0.000 0.000 0.216 212 P CA 0.000 63.253 63.100 0.254 0.000 0.800 212 P CB 0.000 31.669 31.700 -0.051 0.000 0.726