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 2gk1_1_D DATA FIRST_RESID 54 DATA SEQUENCE PALWPLPLSV KMTPNLLHLA PENFYISHSP NSTAGPScTL LEEAFRRYHG DATA SEQUENCE YIFGXXXXXX XXXXXXXXTQ VQQLLVSITL QSEcDAFPNI SSDESYTLLV DATA SEQUENCE KEPVAVLKAN RVWGALRGLE TFSQLVYQDS YGTFTINEST IIDSPRFSHR DATA SEQUENCE GILIDTSRHY LPVKIILKTL DAMAFNKFNV LHWHIVDDQS FPYQSITFPE DATA SEQUENCE LSNKGSYSLS HVYTPNDVRM VIEYARLRGI RVLPEFDTPG HTLSWGKGQK DATA SEQUENCE DLLTPcYXXX XXXDSFGPIN PTLNTTYSFL TTFFKEISEV FPDQFIHLGG DATA SEQUENCE DEVEFKcWES NPKIQDFMRQ KGFGTDFKKL ESFYIQKVLD IIATINKGSI DATA SEQUENCE VWQEVFDDKA KLAPGTIVEV WKDSAYPEEL SRVTASGFPV ILSAPWYLDL DATA SEQUENCE ISYGQDWRKY YKVEPLDFGG TQKQKQLFIG GEACLWGEYV DATNLTPRLW DATA SEQUENCE PRASAVGERL WSSKDVRDMD DAYDRLTRHR cRMVERGIAA QPLYAGYcN 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 54 P HA 0.000 nan 4.420 nan 0.000 0.216 54 P C 0.000 177.274 177.300 -0.043 0.000 1.155 54 P CA 0.000 63.041 63.100 -0.098 0.000 0.800 54 P CB 0.000 31.572 31.700 -0.213 0.000 0.726 55 A N 2.334 125.134 122.820 -0.034 0.000 2.805 55 A HA 0.553 4.874 4.320 0.001 0.000 0.301 55 A C 0.191 177.812 177.584 0.063 0.000 1.557 55 A CA -0.244 51.805 52.037 0.020 0.000 1.254 55 A CB -1.010 17.993 19.000 0.004 0.000 1.114 55 A HN 0.240 nan 8.150 nan 0.000 0.553 56 L N 2.770 124.031 121.223 0.063 0.000 2.290 56 L HA 0.388 4.728 4.340 0.001 0.000 0.284 56 L C -0.225 176.701 176.870 0.094 0.000 1.078 56 L CA -0.302 54.573 54.840 0.058 0.000 0.815 56 L CB 0.876 42.954 42.059 0.032 0.000 1.162 56 L HN 0.717 nan 8.230 nan 0.000 0.435 57 W N 6.045 127.217 121.300 -0.213 0.000 3.259 57 W HA 0.360 5.020 4.660 0.001 0.000 0.331 57 W C -2.798 173.517 176.519 -0.341 0.000 1.144 57 W CA -1.859 55.288 57.345 -0.329 0.000 1.227 57 W CB 2.545 31.595 29.460 -0.683 0.000 1.371 57 W HN 0.220 nan 8.180 nan 0.000 0.491 58 P HA 0.024 nan 4.420 nan 0.000 0.272 58 P C -0.293 176.802 177.300 -0.341 0.000 1.230 58 P CA -0.305 62.377 63.100 -0.697 0.000 0.788 58 P CB 0.699 32.148 31.700 -0.418 0.000 0.949 59 L N 4.447 125.482 121.223 -0.313 0.000 2.534 59 L HA 0.196 4.536 4.340 0.001 0.000 0.271 59 L C -2.175 174.742 176.870 0.078 0.000 1.178 59 L CA -1.342 53.445 54.840 -0.089 0.000 0.907 59 L CB -0.682 41.327 42.059 -0.085 0.000 1.164 59 L HN 0.305 nan 8.230 nan 0.000 0.482 60 P HA -0.061 nan 4.420 nan 0.000 0.272 60 P C 0.544 177.907 177.300 0.105 0.000 1.248 60 P CA -0.247 62.984 63.100 0.218 0.000 0.799 60 P CB 0.497 32.285 31.700 0.145 0.000 0.997 61 L N 0.361 121.608 121.223 0.040 0.000 1.988 61 L HA -0.025 4.315 4.340 0.001 0.000 0.207 61 L C 0.809 177.659 176.870 -0.033 0.000 1.071 61 L CA 2.062 56.871 54.840 -0.053 0.000 0.744 61 L CB -0.432 41.551 42.059 -0.127 0.000 0.893 61 L HN 0.335 nan 8.230 nan 0.000 0.433 62 S N -0.799 114.884 115.700 -0.029 0.000 2.707 62 S HA 0.637 5.107 4.470 0.001 0.000 0.303 62 S C -1.146 173.456 174.600 0.002 0.000 1.132 62 S CA -0.750 57.439 58.200 -0.018 0.000 1.046 62 S CB 1.037 64.219 63.200 -0.030 0.000 1.004 62 S HN -0.012 nan 8.310 nan 0.000 0.483 63 V N 5.158 125.080 119.914 0.013 0.000 2.540 63 V HA 0.585 4.705 4.120 0.001 0.000 0.302 63 V C -0.475 175.630 176.094 0.019 0.000 1.035 63 V CA -0.831 61.484 62.300 0.024 0.000 0.873 63 V CB 1.860 33.702 31.823 0.031 0.000 0.992 63 V HN 0.842 nan 8.190 nan 0.000 0.428 64 K N 4.665 125.078 120.400 0.023 0.000 2.575 64 K HA 0.553 4.873 4.320 0.001 0.000 0.236 64 K C -0.968 175.644 176.600 0.021 0.000 0.976 64 K CA -0.478 55.820 56.287 0.019 0.000 0.985 64 K CB 1.240 33.750 32.500 0.017 0.000 1.198 64 K HN 0.498 nan 8.250 nan 0.000 0.464 65 M N 2.469 122.080 119.600 0.018 0.000 2.157 65 M HA 0.164 4.645 4.480 0.001 0.000 0.354 65 M C 0.321 176.630 176.300 0.015 0.000 1.170 65 M CA -0.273 55.037 55.300 0.017 0.000 1.060 65 M CB 1.135 33.743 32.600 0.013 0.000 1.615 65 M HN 0.545 nan 8.290 nan 0.000 0.460 66 T N 0.814 115.378 114.554 0.016 0.000 2.855 66 T HA 0.534 4.884 4.350 0.001 0.000 0.281 66 T C -2.120 172.588 174.700 0.013 0.000 1.007 66 T CA -1.768 60.340 62.100 0.013 0.000 1.009 66 T CB 1.810 70.686 68.868 0.013 0.000 0.983 66 T HN 0.346 nan 8.240 nan 0.000 0.455 67 P HA -0.053 nan 4.420 nan 0.000 0.221 67 P C 0.367 177.674 177.300 0.012 0.000 1.145 67 P CA 0.616 63.724 63.100 0.014 0.000 0.795 67 P CB -0.066 31.642 31.700 0.013 0.000 0.775 68 N N 0.577 119.280 118.700 0.006 0.000 2.440 68 N HA 0.011 4.752 4.740 0.001 0.000 0.265 68 N C -0.330 175.166 175.510 -0.024 0.000 1.239 68 N CA 0.493 53.541 53.050 -0.003 0.000 0.909 68 N CB -0.148 38.339 38.487 -0.001 0.000 1.066 68 N HN -0.041 nan 8.380 nan 0.000 0.474 69 L N 3.312 124.506 121.223 -0.049 0.000 2.399 69 L HA 0.494 4.834 4.340 0.001 0.000 0.266 69 L C 0.192 176.932 176.870 -0.217 0.000 1.114 69 L CA -0.706 54.055 54.840 -0.132 0.000 0.804 69 L CB 0.699 42.666 42.059 -0.154 0.000 1.146 69 L HN 0.310 nan 8.230 nan 0.000 0.451 70 L N 0.590 121.611 121.223 -0.337 0.000 2.393 70 L HA 0.508 4.849 4.340 0.001 0.000 0.260 70 L C -1.133 175.435 176.870 -0.504 0.000 1.002 70 L CA -0.721 53.924 54.840 -0.326 0.000 0.818 70 L CB 2.566 44.546 42.059 -0.133 0.000 1.369 70 L HN 0.559 nan 8.230 nan 0.000 0.412 71 H N 0.811 119.848 119.070 -0.055 0.000 2.731 71 H HA 0.779 5.336 4.556 0.000 0.000 0.368 71 H C -1.313 173.987 175.328 -0.046 0.000 1.168 71 H CA -0.662 55.352 56.048 -0.058 0.000 1.181 71 H CB 2.114 31.861 29.762 -0.025 0.000 1.743 71 H HN 0.195 nan 8.280 nan 0.000 0.547 72 L N 0.834 122.117 121.223 0.101 0.000 2.388 72 L HA 0.702 5.042 4.340 0.001 0.000 0.264 72 L C -0.540 176.387 176.870 0.096 0.000 0.998 72 L CA -0.827 54.018 54.840 0.008 0.000 0.817 72 L CB 1.982 43.880 42.059 -0.268 0.000 1.338 72 L HN 0.721 nan 8.230 nan 0.000 0.414 73 A N 2.432 125.280 122.820 0.047 0.000 2.328 73 A HA 0.732 5.052 4.320 0.001 0.000 0.318 73 A C -1.980 175.463 177.584 -0.234 0.000 1.347 73 A CA -1.391 50.623 52.037 -0.038 0.000 0.842 73 A CB 0.478 19.464 19.000 -0.023 0.000 1.148 73 A HN 0.576 nan 8.150 nan 0.000 0.499 74 P HA -0.253 nan 4.420 nan 0.000 0.219 74 P C 0.538 177.508 177.300 -0.550 0.000 1.159 74 P CA 1.621 63.947 63.100 -1.290 0.000 0.944 74 P CB 0.237 31.331 31.700 -1.009 0.000 0.792 75 E N -1.806 118.210 120.200 -0.306 0.000 2.304 75 E HA 0.068 4.418 4.350 0.001 0.000 0.212 75 E C 0.614 177.122 176.600 -0.154 0.000 1.185 75 E CA -0.025 56.278 56.400 -0.163 0.000 1.326 75 E CB -0.524 29.114 29.700 -0.104 0.000 1.283 75 E HN 0.194 nan 8.360 nan 0.000 0.440 76 N N -0.368 118.167 118.700 -0.275 0.000 1.850 76 N HA -0.041 4.699 4.740 0.001 0.000 0.230 76 N C -0.837 174.218 175.510 -0.759 0.000 1.419 76 N CA -0.306 52.493 53.050 -0.418 0.000 0.762 76 N CB 0.249 38.642 38.487 -0.156 0.000 1.047 76 N HN 0.054 nan 8.380 nan 0.000 0.503 77 F N 2.067 121.649 119.950 -0.614 0.000 2.410 77 F HA 0.510 5.037 4.527 0.001 0.000 0.348 77 F C -1.158 174.391 175.800 -0.417 0.000 1.106 77 F CA -0.201 57.549 58.000 -0.416 0.000 1.163 77 F CB 0.319 39.278 39.000 -0.069 0.000 1.129 77 F HN -0.079 nan 8.300 nan 0.000 0.516 78 Y N 5.554 125.434 120.300 -0.700 0.000 2.512 78 Y HA 0.553 5.103 4.550 0.001 0.000 0.348 78 Y C -0.589 174.839 175.900 -0.786 0.000 0.990 78 Y CA -1.513 56.272 58.100 -0.524 0.000 1.033 78 Y CB 1.506 39.787 38.460 -0.299 0.000 1.259 78 Y HN 0.346 nan 8.280 nan 0.000 0.461 79 I N 3.069 123.396 120.570 -0.405 0.000 2.460 79 I HA 0.382 4.552 4.170 0.001 0.000 0.277 79 I C -0.308 175.310 176.117 -0.832 0.000 1.057 79 I CA -0.241 60.662 61.300 -0.661 0.000 1.179 79 I CB 0.402 38.024 38.000 -0.630 0.000 1.329 79 I HN 0.634 nan 8.210 nan 0.000 0.478 80 S N 2.812 118.128 115.700 -0.640 0.000 2.759 80 S HA 0.600 5.070 4.470 0.001 0.000 0.310 80 S C -0.414 173.888 174.600 -0.497 0.000 1.123 80 S CA -0.877 57.010 58.200 -0.522 0.000 0.959 80 S CB 1.008 64.067 63.200 -0.234 0.000 1.172 80 S HN 0.488 nan 8.310 nan 0.000 0.539 81 H N 0.591 119.611 119.070 -0.082 0.000 2.511 81 H HA 0.546 5.103 4.556 0.001 0.000 0.346 81 H C 0.349 175.647 175.328 -0.050 0.000 1.128 81 H CA 0.056 56.093 56.048 -0.017 0.000 1.342 81 H CB 0.958 30.751 29.762 0.052 0.000 1.470 81 H HN 0.628 nan 8.280 nan 0.000 0.546 82 S N 2.833 118.579 115.700 0.077 0.000 2.528 82 S HA 0.058 4.529 4.470 0.001 0.000 0.277 82 S C -1.430 173.193 174.600 0.037 0.000 1.297 82 S CA -1.311 56.906 58.200 0.029 0.000 1.052 82 S CB 0.519 63.727 63.200 0.013 0.000 0.917 82 S HN 0.496 nan 8.310 nan 0.000 0.492 83 P HA -0.125 nan 4.420 nan 0.000 0.218 83 P C 0.006 177.308 177.300 0.004 0.000 1.146 83 P CA 1.248 64.352 63.100 0.007 0.000 0.820 83 P CB -0.265 31.434 31.700 -0.001 0.000 0.778 84 N N -1.776 116.928 118.700 0.007 0.000 2.908 84 N HA 0.220 4.960 4.740 0.001 0.000 0.316 84 N C -0.580 174.936 175.510 0.010 0.000 1.619 84 N CA -0.370 52.683 53.050 0.005 0.000 1.045 84 N CB 0.412 38.901 38.487 0.004 0.000 1.357 84 N HN -0.167 nan 8.380 nan 0.000 0.501 85 S N 0.327 116.035 115.700 0.012 0.000 2.568 85 S HA 0.233 4.703 4.470 0.001 0.000 0.302 85 S C 0.915 175.508 174.600 -0.011 0.000 1.082 85 S CA -0.544 57.666 58.200 0.016 0.000 1.009 85 S CB 1.401 64.634 63.200 0.056 0.000 1.069 85 S HN 0.407 nan 8.310 nan 0.000 0.500 86 T N 0.947 115.493 114.554 -0.014 0.000 3.473 86 T HA 0.556 4.906 4.350 0.001 0.000 0.247 86 T C 0.059 174.720 174.700 -0.064 0.000 1.010 86 T CA 0.054 62.134 62.100 -0.034 0.000 0.940 86 T CB -0.636 68.218 68.868 -0.024 0.000 1.068 86 T HN 0.920 nan 8.240 nan 0.000 0.604 87 A N -0.227 122.540 122.820 -0.088 0.000 2.513 87 A HA 0.738 5.058 4.320 0.001 0.000 0.285 87 A C 0.271 177.622 177.584 -0.389 0.000 1.047 87 A CA -0.548 51.383 52.037 -0.176 0.000 0.864 87 A CB 0.760 19.694 19.000 -0.111 0.000 1.373 87 A HN 0.535 nan 8.150 nan 0.000 0.403 88 G N 1.343 109.882 108.800 -0.435 0.000 2.695 88 G HA2 0.623 4.583 3.960 0.001 0.000 0.213 88 G HA3 0.623 4.583 3.960 0.001 0.000 0.213 88 G C -1.633 172.823 174.900 -0.741 0.000 1.406 88 G CA -1.059 43.707 45.100 -0.556 0.000 1.049 88 G HN 0.347 nan 8.290 nan 0.000 0.573 89 P HA -0.016 nan 4.420 nan 0.000 0.219 89 P C 1.926 179.176 177.300 -0.083 0.000 1.150 89 P CA 1.647 64.710 63.100 -0.062 0.000 0.814 89 P CB 0.017 31.718 31.700 0.002 0.000 0.787 90 S N -2.047 113.582 115.700 -0.119 0.000 2.641 90 S HA -0.086 4.384 4.470 0.001 0.000 0.239 90 S C 0.844 175.379 174.600 -0.109 0.000 0.972 90 S CA -0.064 58.079 58.200 -0.095 0.000 0.954 90 S CB -1.767 61.380 63.200 -0.088 0.000 0.767 90 S HN 0.183 nan 8.310 nan 0.000 0.539 91 c N 3.127 121.646 118.600 -0.136 0.000 2.176 91 c HA 0.477 5.047 4.570 0.001 0.000 0.329 91 c C 1.870 175.883 174.090 -0.128 0.000 1.113 91 c CA -0.413 55.832 56.329 -0.140 0.000 1.562 91 c CB -1.099 41.308 42.510 -0.171 0.000 2.040 91 c HN 0.623 nan 8.230 nan 0.000 0.460 92 T N 4.282 118.766 114.554 -0.116 0.000 2.635 92 T HA -0.255 4.095 4.350 0.001 0.000 0.267 92 T C 1.780 176.389 174.700 -0.152 0.000 1.040 92 T CA 1.981 64.015 62.100 -0.110 0.000 1.156 92 T CB -0.354 68.461 68.868 -0.089 0.000 0.863 92 T HN 0.779 nan 8.240 nan 0.000 0.430 93 L N 0.271 121.392 121.223 -0.170 0.000 2.021 93 L HA -0.137 4.203 4.340 0.001 0.000 0.215 93 L C 2.382 179.087 176.870 -0.274 0.000 1.074 93 L CA 1.563 56.287 54.840 -0.192 0.000 0.760 93 L CB -0.320 41.613 42.059 -0.211 0.000 0.889 93 L HN 0.287 nan 8.230 nan 0.000 0.433 94 L N -1.058 119.940 121.223 -0.376 0.000 2.044 94 L HA -0.133 4.207 4.340 0.001 0.000 0.205 94 L C 2.695 178.916 176.870 -1.081 0.000 1.075 94 L CA 0.832 55.207 54.840 -0.775 0.000 0.747 94 L CB -0.671 40.978 42.059 -0.683 0.000 0.903 94 L HN 0.269 nan 8.230 nan 0.000 0.435 95 E N 0.146 120.025 120.200 -0.536 0.000 2.118 95 E HA -0.216 4.135 4.350 0.001 0.000 0.195 95 E C 2.037 178.548 176.600 -0.148 0.000 0.992 95 E CA 0.966 57.220 56.400 -0.244 0.000 0.804 95 E CB -0.114 29.557 29.700 -0.049 0.000 0.741 95 E HN 0.433 nan 8.360 nan 0.000 0.458 96 E N 0.518 120.623 120.200 -0.159 0.000 2.072 96 E HA -0.096 4.254 4.350 0.001 0.000 0.191 96 E C 1.995 178.563 176.600 -0.054 0.000 0.985 96 E CA 0.989 57.336 56.400 -0.088 0.000 0.801 96 E CB -0.139 29.507 29.700 -0.090 0.000 0.750 96 E HN 0.209 nan 8.360 nan 0.000 0.452 97 A N 0.745 123.511 122.820 -0.089 0.000 1.930 97 A HA -0.125 4.195 4.320 0.001 0.000 0.217 97 A C 1.921 179.697 177.584 0.320 0.000 1.175 97 A CA 0.851 52.950 52.037 0.103 0.000 0.627 97 A CB -0.614 18.447 19.000 0.101 0.000 0.815 97 A HN 0.114 nan 8.150 nan 0.000 0.443 98 F N 0.083 120.092 119.950 0.098 0.000 2.171 98 F HA -0.087 4.441 4.527 0.001 0.000 0.300 98 F C 2.334 178.203 175.800 0.114 0.000 1.090 98 F CA 1.087 59.135 58.000 0.080 0.000 1.293 98 F CB -0.935 38.048 39.000 -0.029 0.000 1.013 98 F HN 0.280 nan 8.300 nan 0.000 0.486 99 R N 0.558 121.198 120.500 0.234 0.000 2.061 99 R HA -0.149 4.191 4.340 0.001 0.000 0.230 99 R C 2.465 178.822 176.300 0.095 0.000 1.140 99 R CA 1.477 57.650 56.100 0.120 0.000 0.940 99 R CB -0.323 29.998 30.300 0.035 0.000 0.839 99 R HN 0.096 nan 8.270 nan 0.000 0.429 100 R N -0.626 119.884 120.500 0.017 0.000 2.136 100 R HA -0.262 4.079 4.340 0.001 0.000 0.242 100 R C 2.136 178.278 176.300 -0.263 0.000 1.131 100 R CA 2.546 58.538 56.100 -0.180 0.000 0.937 100 R CB -0.713 29.459 30.300 -0.213 0.000 0.863 100 R HN 0.353 nan 8.270 nan 0.000 0.435 101 Y N -0.937 119.426 120.300 0.105 0.000 2.200 101 Y HA -0.195 4.355 4.550 0.001 0.000 0.290 101 Y C 2.373 178.394 175.900 0.201 0.000 1.137 101 Y CA 1.939 60.169 58.100 0.217 0.000 1.163 101 Y CB -0.630 38.002 38.460 0.288 0.000 0.988 101 Y HN 0.403 nan 8.280 nan 0.000 0.518 102 H N -0.417 118.828 119.070 0.292 0.000 2.492 102 H HA -0.145 4.411 4.556 0.000 0.000 0.296 102 H C 2.251 177.724 175.328 0.241 0.000 1.095 102 H CA 0.968 57.203 56.048 0.311 0.000 1.281 102 H CB -0.264 29.651 29.762 0.255 0.000 1.374 102 H HN 0.396 nan 8.280 nan 0.000 0.545 103 G N -0.501 108.412 108.800 0.189 0.000 2.454 103 G HA2 -0.261 3.699 3.960 0.001 0.000 0.214 103 G HA3 -0.261 3.699 3.960 0.001 0.000 0.214 103 G C 0.968 175.889 174.900 0.034 0.000 1.217 103 G CA 0.747 45.858 45.100 0.018 0.000 0.799 103 G HN 0.371 nan 8.290 nan 0.000 0.538 104 Y N 0.899 121.250 120.300 0.084 0.000 2.097 104 Y HA -0.082 4.468 4.550 0.000 0.000 0.282 104 Y C 2.820 178.713 175.900 -0.012 0.000 1.152 104 Y CA 0.714 58.824 58.100 0.016 0.000 1.136 104 Y CB -0.946 37.512 38.460 -0.003 0.000 0.975 104 Y HN 0.102 nan 8.280 nan 0.000 0.498 105 I N -1.407 119.234 120.570 0.119 0.000 2.143 105 I HA -0.377 3.793 4.170 0.001 0.000 0.245 105 I C 1.495 177.341 176.117 -0.451 0.000 1.068 105 I CA 1.697 62.854 61.300 -0.239 0.000 1.326 105 I CB -0.395 37.355 38.000 -0.416 0.000 1.028 105 I HN 0.041 nan 8.210 nan 0.000 0.412 106 F N -0.801 119.106 119.950 -0.072 0.000 2.464 106 F HA 0.532 5.060 4.527 0.000 0.000 0.223 106 F C 1.131 177.002 175.800 0.118 0.000 1.089 106 F CA 0.599 58.544 58.000 -0.092 0.000 0.972 106 F CB -0.963 37.798 39.000 -0.399 0.000 1.155 106 F HN -0.054 nan 8.300 nan 0.000 0.665 123 Q N 2.429 122.276 119.800 0.079 0.000 2.348 123 Q HA 0.609 4.950 4.340 0.001 0.000 0.265 123 Q C -1.036 175.014 176.000 0.084 0.000 0.998 123 Q CA -0.443 55.413 55.803 0.088 0.000 0.831 123 Q CB 1.659 30.448 28.738 0.084 0.000 1.251 123 Q HN 0.290 nan 8.270 nan 0.000 0.456 124 V N 4.775 124.744 119.914 0.092 0.000 2.488 124 V HA 0.059 4.179 4.120 0.001 0.000 0.277 124 V C 0.580 176.820 176.094 0.243 0.000 1.046 124 V CA 0.119 62.509 62.300 0.150 0.000 0.986 124 V CB 1.230 33.149 31.823 0.161 0.000 0.989 124 V HN 0.931 nan 8.190 nan 0.000 0.475 125 Q N 2.350 122.287 119.800 0.228 0.000 2.378 125 Q HA 0.254 4.595 4.340 0.001 0.000 0.229 125 Q C 0.465 176.529 176.000 0.106 0.000 0.882 125 Q CA 0.242 56.162 55.803 0.195 0.000 0.936 125 Q CB 1.088 29.883 28.738 0.096 0.000 1.092 125 Q HN 0.803 nan 8.270 nan 0.000 0.535 126 Q N 0.613 120.453 119.800 0.067 0.000 2.320 126 Q HA 0.400 4.740 4.340 0.001 0.000 0.272 126 Q C -2.122 173.779 176.000 -0.164 0.000 1.023 126 Q CA -0.521 55.159 55.803 -0.205 0.000 0.855 126 Q CB 2.022 30.702 28.738 -0.096 0.000 1.367 126 Q HN 0.108 nan 8.270 nan 0.000 0.406 127 L N 4.927 125.906 121.223 -0.408 0.000 2.276 127 L HA 0.475 4.816 4.340 0.001 0.000 0.286 127 L C -1.535 175.106 176.870 -0.380 0.000 1.024 127 L CA -0.194 54.433 54.840 -0.356 0.000 0.826 127 L CB 0.806 42.540 42.059 -0.541 0.000 1.211 127 L HN 0.602 nan 8.230 nan 0.000 0.422 128 L N 6.148 127.221 121.223 -0.249 0.000 2.313 128 L HA 0.352 4.692 4.340 0.001 0.000 0.282 128 L C -0.395 176.354 176.870 -0.202 0.000 1.092 128 L CA -0.697 54.014 54.840 -0.215 0.000 0.831 128 L CB 1.308 43.299 42.059 -0.113 0.000 1.159 128 L HN 0.325 nan 8.230 nan 0.000 0.442 129 V N 2.989 122.765 119.914 -0.230 0.000 2.348 129 V HA 0.162 4.282 4.120 0.001 0.000 0.270 129 V C 0.389 176.493 176.094 0.017 0.000 1.037 129 V CA -0.091 62.147 62.300 -0.103 0.000 0.872 129 V CB 1.353 33.144 31.823 -0.053 0.000 1.002 129 V HN 0.790 nan 8.190 nan 0.000 0.464 130 S N 6.323 122.037 115.700 0.023 0.000 2.456 130 S HA 0.627 5.097 4.470 0.001 0.000 0.316 130 S C -0.555 174.076 174.600 0.052 0.000 1.089 130 S CA -0.685 57.541 58.200 0.045 0.000 1.101 130 S CB 0.375 63.591 63.200 0.027 0.000 0.995 130 S HN 0.470 nan 8.310 nan 0.000 0.468 131 I N 5.268 125.870 120.570 0.054 0.000 2.336 131 I HA 0.250 4.420 4.170 0.001 0.000 0.292 131 I C 1.379 177.511 176.117 0.025 0.000 0.991 131 I CA -0.182 61.138 61.300 0.033 0.000 1.227 131 I CB 0.833 38.839 38.000 0.009 0.000 1.366 131 I HN 0.622 nan 8.210 nan 0.000 0.466 132 T N 5.567 120.138 114.554 0.029 0.000 2.781 132 T HA 0.180 4.530 4.350 0.001 0.000 0.252 132 T C 1.307 176.020 174.700 0.021 0.000 1.039 132 T CA 0.636 62.752 62.100 0.027 0.000 1.147 132 T CB 0.088 68.977 68.868 0.034 0.000 0.865 132 T HN 0.296 nan 8.240 nan 0.000 0.423 133 L N 0.734 121.973 121.223 0.026 0.000 2.777 133 L HA 0.305 4.646 4.340 0.001 0.000 0.195 133 L C 0.841 177.719 176.870 0.013 0.000 1.190 133 L CA -0.748 54.108 54.840 0.025 0.000 0.933 133 L CB 0.023 42.107 42.059 0.041 0.000 1.758 133 L HN 0.202 nan 8.230 nan 0.000 0.515 134 Q N -0.087 119.724 119.800 0.017 0.000 2.271 134 Q HA -0.022 4.318 4.340 0.001 0.000 0.273 134 Q C 1.002 176.997 176.000 -0.008 0.000 1.051 134 Q CA 0.208 56.015 55.803 0.006 0.000 0.901 134 Q CB 1.075 29.825 28.738 0.021 0.000 1.174 134 Q HN 0.651 nan 8.270 nan 0.000 0.385 135 S N 3.357 119.030 115.700 -0.045 0.000 2.399 135 S HA -0.194 4.276 4.470 0.001 0.000 0.231 135 S C 0.199 174.701 174.600 -0.163 0.000 1.022 135 S CA 1.197 59.333 58.200 -0.106 0.000 0.983 135 S CB -0.200 62.926 63.200 -0.125 0.000 0.803 135 S HN 0.928 nan 8.310 nan 0.000 0.480 136 E N -0.843 119.309 120.200 -0.080 0.000 2.791 136 E HA -0.257 4.094 4.350 0.001 0.000 0.271 136 E C 1.037 177.533 176.600 -0.173 0.000 1.044 136 E CA 0.514 56.896 56.400 -0.031 0.000 0.814 136 E CB -2.647 27.141 29.700 0.148 0.000 1.400 136 E HN 0.715 nan 8.360 nan 0.000 0.423 137 c N 0.667 119.141 118.600 -0.210 0.000 2.398 137 c HA -0.188 4.382 4.570 0.001 0.000 0.276 137 c C 1.585 175.562 174.090 -0.188 0.000 1.222 137 c CA 1.629 57.805 56.329 -0.255 0.000 1.746 137 c CB -0.296 42.100 42.510 -0.191 0.000 2.039 137 c HN 0.447 nan 8.230 nan 0.000 0.470 138 D N 0.557 120.893 120.400 -0.108 0.000 2.395 138 D HA 0.331 4.972 4.640 0.001 0.000 0.226 138 D C 0.447 176.713 176.300 -0.057 0.000 1.146 138 D CA 0.558 54.505 54.000 -0.088 0.000 0.830 138 D CB 0.304 41.067 40.800 -0.061 0.000 0.958 138 D HN 0.642 nan 8.370 nan 0.000 0.501 139 A N 0.033 122.868 122.820 0.025 0.000 2.288 139 A HA 0.628 4.948 4.320 0.001 0.000 0.328 139 A C -0.563 177.106 177.584 0.141 0.000 1.123 139 A CA -0.509 51.613 52.037 0.142 0.000 0.861 139 A CB 0.853 20.018 19.000 0.274 0.000 1.272 139 A HN -0.032 nan 8.150 nan 0.000 0.490 140 F N 1.191 121.272 119.950 0.217 0.000 2.385 140 F HA 0.441 4.968 4.527 0.001 0.000 0.336 140 F C -1.599 174.196 175.800 -0.009 0.000 1.100 140 F CA -1.797 56.285 58.000 0.136 0.000 1.116 140 F CB 1.215 40.262 39.000 0.079 0.000 1.166 140 F HN 0.318 nan 8.300 nan 0.000 0.511 141 P HA 0.158 nan 4.420 nan 0.000 0.275 141 P C -1.243 175.952 177.300 -0.174 0.000 1.227 141 P CA -0.359 62.395 63.100 -0.576 0.000 0.781 141 P CB 1.095 32.132 31.700 -1.105 0.000 0.906 142 N N 2.100 120.729 118.700 -0.117 0.000 2.879 142 N HA 0.204 4.945 4.740 0.001 0.000 0.329 142 N C 0.753 176.270 175.510 0.012 0.000 1.337 142 N CA -0.781 52.281 53.050 0.019 0.000 0.844 142 N CB -0.386 38.152 38.487 0.085 0.000 1.236 142 N HN 0.191 nan 8.380 nan 0.000 0.601 143 I N -0.554 120.082 120.570 0.110 0.000 2.546 143 I HA 0.001 4.172 4.170 0.001 0.000 0.255 143 I C 0.761 176.918 176.117 0.067 0.000 1.163 143 I CA 1.009 62.362 61.300 0.089 0.000 1.457 143 I CB -0.451 37.611 38.000 0.104 0.000 1.092 143 I HN 0.628 nan 8.210 nan 0.000 0.434 144 S N -0.440 115.307 115.700 0.078 0.000 2.596 144 S HA 0.331 4.801 4.470 0.001 0.000 0.248 144 S C 0.311 174.951 174.600 0.067 0.000 1.162 144 S CA -0.603 57.642 58.200 0.075 0.000 1.185 144 S CB -0.793 62.461 63.200 0.090 0.000 0.833 144 S HN 0.209 nan 8.310 nan 0.000 0.472 145 S N 2.652 118.367 115.700 0.024 0.000 2.422 145 S HA 0.273 4.743 4.470 0.001 0.000 0.308 145 S C -0.440 174.228 174.600 0.113 0.000 1.097 145 S CA -0.669 57.543 58.200 0.019 0.000 1.099 145 S CB 0.877 63.896 63.200 -0.302 0.000 0.976 145 S HN 0.545 nan 8.310 nan 0.000 0.471 146 D N 2.396 122.929 120.400 0.221 0.000 2.382 146 D HA 0.041 4.681 4.640 0.001 0.000 0.259 146 D C 0.527 177.010 176.300 0.305 0.000 1.224 146 D CA 0.152 54.279 54.000 0.212 0.000 0.894 146 D CB 0.529 41.435 40.800 0.176 0.000 1.127 146 D HN 0.581 nan 8.370 nan 0.000 0.487 147 E N 1.245 121.600 120.200 0.258 0.000 2.498 147 E HA 0.038 4.388 4.350 0.001 0.000 0.203 147 E C 0.409 177.244 176.600 0.392 0.000 1.013 147 E CA -0.220 56.399 56.400 0.365 0.000 0.927 147 E CB 0.360 30.293 29.700 0.387 0.000 1.012 147 E HN 0.502 nan 8.360 nan 0.000 0.482 148 S N 0.968 116.808 115.700 0.233 0.000 2.568 148 S HA 0.177 4.648 4.470 0.001 0.000 0.282 148 S C -0.289 174.471 174.600 0.266 0.000 1.338 148 S CA -0.471 57.823 58.200 0.156 0.000 1.045 148 S CB 0.151 63.367 63.200 0.027 0.000 0.873 148 S HN 0.270 nan 8.310 nan 0.000 0.516 149 Y N -1.601 118.779 120.300 0.132 0.000 2.581 149 Y HA 0.701 5.251 4.550 0.000 0.000 0.337 149 Y C -0.748 175.206 175.900 0.090 0.000 1.108 149 Y CA -0.857 57.308 58.100 0.108 0.000 1.033 149 Y CB 0.947 39.481 38.460 0.122 0.000 1.318 149 Y HN 0.841 nan 8.280 nan 0.000 0.459 150 T N 1.605 116.273 114.554 0.189 0.000 2.807 150 T HA 0.663 5.014 4.350 0.001 0.000 0.279 150 T C -1.690 173.145 174.700 0.226 0.000 0.993 150 T CA -0.611 61.563 62.100 0.123 0.000 0.970 150 T CB 1.593 70.496 68.868 0.058 0.000 0.950 150 T HN 0.865 nan 8.240 nan 0.000 0.441 151 L N 3.849 125.211 121.223 0.231 0.000 2.343 151 L HA 0.636 4.976 4.340 0.001 0.000 0.278 151 L C -1.353 175.609 176.870 0.153 0.000 0.996 151 L CA -1.027 53.944 54.840 0.219 0.000 0.831 151 L CB 1.226 43.474 42.059 0.315 0.000 1.232 151 L HN 0.814 nan 8.230 nan 0.000 0.413 152 L N 5.598 126.890 121.223 0.115 0.000 2.282 152 L HA 0.633 4.974 4.340 0.001 0.000 0.288 152 L C -0.822 176.117 176.870 0.114 0.000 1.033 152 L CA -0.683 54.214 54.840 0.095 0.000 0.807 152 L CB 1.861 43.958 42.059 0.064 0.000 1.209 152 L HN 0.346 nan 8.230 nan 0.000 0.423 153 V N 4.213 124.197 119.914 0.116 0.000 2.350 153 V HA 0.547 4.668 4.120 0.001 0.000 0.285 153 V C -0.253 175.889 176.094 0.081 0.000 1.014 153 V CA -0.630 61.749 62.300 0.131 0.000 0.831 153 V CB 1.348 33.255 31.823 0.140 0.000 1.000 153 V HN 0.709 nan 8.190 nan 0.000 0.433 154 K N 2.508 122.954 120.400 0.077 0.000 2.578 154 K HA 0.501 4.821 4.320 0.001 0.000 0.287 154 K C -0.916 175.718 176.600 0.056 0.000 1.010 154 K CA -0.903 55.415 56.287 0.052 0.000 0.889 154 K CB 2.639 35.164 32.500 0.043 0.000 1.514 154 K HN 0.859 nan 8.250 nan 0.000 0.424 155 E N 0.846 121.072 120.200 0.043 0.000 2.283 155 E HA 0.369 4.720 4.350 0.001 0.000 0.271 155 E C -1.997 174.628 176.600 0.041 0.000 1.031 155 E CA -1.753 54.675 56.400 0.047 0.000 0.868 155 E CB 0.985 30.709 29.700 0.040 0.000 1.094 155 E HN 0.220 nan 8.360 nan 0.000 0.401 156 P HA 0.149 nan 4.420 nan 0.000 0.262 156 P C -0.772 176.568 177.300 0.067 0.000 1.304 156 P CA -0.076 63.057 63.100 0.056 0.000 0.859 156 P CB 0.418 32.147 31.700 0.047 0.000 1.310 157 V N 0.342 120.290 119.914 0.056 0.000 2.532 157 V HA 0.579 4.699 4.120 0.001 0.000 0.294 157 V C 0.051 176.172 176.094 0.044 0.000 1.036 157 V CA -1.331 60.996 62.300 0.044 0.000 0.876 157 V CB 1.382 33.215 31.823 0.016 0.000 1.012 157 V HN 0.103 nan 8.190 nan 0.000 0.432 158 A N 4.577 127.436 122.820 0.064 0.000 2.371 158 A HA 0.773 5.093 4.320 0.001 0.000 0.257 158 A C -0.357 177.216 177.584 -0.018 0.000 1.089 158 A CA -0.255 51.817 52.037 0.058 0.000 0.794 158 A CB 0.887 19.966 19.000 0.132 0.000 1.029 158 A HN 0.809 nan 8.150 nan 0.000 0.488 159 V N 3.232 123.143 119.914 -0.005 0.000 2.482 159 V HA 0.348 4.469 4.120 0.001 0.000 0.295 159 V C -0.647 175.438 176.094 -0.015 0.000 1.026 159 V CA -0.453 61.830 62.300 -0.029 0.000 0.856 159 V CB 1.189 33.011 31.823 -0.003 0.000 1.001 159 V HN 0.848 nan 8.190 nan 0.000 0.424 160 L N 5.086 126.274 121.223 -0.059 0.000 2.307 160 L HA 0.692 5.032 4.340 0.001 0.000 0.282 160 L C -0.360 176.522 176.870 0.020 0.000 1.051 160 L CA 0.228 55.060 54.840 -0.013 0.000 0.804 160 L CB 1.095 43.102 42.059 -0.087 0.000 1.197 160 L HN 0.689 nan 8.230 nan 0.000 0.431 161 K N 4.270 124.716 120.400 0.077 0.000 2.507 161 K HA 0.855 5.175 4.320 0.001 0.000 0.251 161 K C -1.948 174.723 176.600 0.120 0.000 0.943 161 K CA -0.504 55.829 56.287 0.076 0.000 0.794 161 K CB 1.712 34.248 32.500 0.060 0.000 1.188 161 K HN 0.854 nan 8.250 nan 0.000 0.428 162 A N 3.225 126.107 122.820 0.104 0.000 2.547 162 A HA 0.310 4.630 4.320 0.001 0.000 0.297 162 A C -0.046 177.591 177.584 0.089 0.000 1.056 162 A CA -0.804 51.312 52.037 0.131 0.000 0.688 162 A CB 1.298 20.403 19.000 0.175 0.000 1.282 162 A HN 0.853 nan 8.150 nan 0.000 0.400 163 N N 0.601 119.358 118.700 0.095 0.000 2.061 163 N HA -0.120 4.621 4.740 0.001 0.000 0.193 163 N C 0.456 176.003 175.510 0.061 0.000 1.030 163 N CA 1.349 54.444 53.050 0.076 0.000 0.856 163 N CB -0.137 38.402 38.487 0.087 0.000 1.023 163 N HN 0.618 nan 8.380 nan 0.000 0.424 164 R N -0.538 120.007 120.500 0.076 0.000 2.923 164 R HA 0.303 4.643 4.340 0.001 0.000 0.252 164 R C 1.302 177.530 176.300 -0.121 0.000 1.130 164 R CA -0.737 55.363 56.100 -0.001 0.000 1.043 164 R CB 0.057 30.439 30.300 0.138 0.000 1.205 164 R HN -0.203 nan 8.270 nan 0.000 0.495 165 V N 0.443 120.106 119.914 -0.419 0.000 2.407 165 V HA -0.202 3.918 4.120 0.001 0.000 0.248 165 V C 1.446 177.305 176.094 -0.392 0.000 1.055 165 V CA 1.763 63.753 62.300 -0.517 0.000 1.049 165 V CB -0.318 31.029 31.823 -0.792 0.000 0.662 165 V HN 0.660 nan 8.190 nan 0.000 0.455 166 W N -0.122 121.218 121.300 0.066 0.000 2.525 166 W HA 0.098 4.758 4.660 0.001 0.000 0.259 166 W C 2.299 178.888 176.519 0.117 0.000 1.253 166 W CA 0.561 57.956 57.345 0.084 0.000 1.262 166 W CB -0.899 28.623 29.460 0.103 0.000 1.122 166 W HN 0.243 nan 8.180 nan 0.000 0.607 167 G N 0.778 109.744 108.800 0.277 0.000 2.395 167 G HA2 -0.089 3.872 3.960 0.001 0.000 0.214 167 G HA3 -0.089 3.872 3.960 0.001 0.000 0.214 167 G C 1.739 176.706 174.900 0.112 0.000 1.177 167 G CA 1.106 46.381 45.100 0.292 0.000 0.794 167 G HN 0.264 nan 8.290 nan 0.000 0.532 168 A N 0.573 123.419 122.820 0.043 0.000 1.940 168 A HA 0.029 4.349 4.320 0.001 0.000 0.219 168 A C 2.422 179.954 177.584 -0.086 0.000 1.176 168 A CA 1.270 53.288 52.037 -0.031 0.000 0.631 168 A CB -0.408 18.594 19.000 0.004 0.000 0.814 168 A HN 0.365 nan 8.150 nan 0.000 0.446 169 L N -1.133 120.076 121.223 -0.023 0.000 1.994 169 L HA -0.192 4.148 4.340 0.001 0.000 0.208 169 L C 2.878 179.705 176.870 -0.071 0.000 1.071 169 L CA 1.284 56.129 54.840 0.008 0.000 0.745 169 L CB -0.467 41.673 42.059 0.136 0.000 0.892 169 L HN 0.293 nan 8.230 nan 0.000 0.431 170 R N 0.119 120.584 120.500 -0.058 0.000 2.096 170 R HA -0.079 4.262 4.340 0.001 0.000 0.235 170 R C 2.186 178.156 176.300 -0.549 0.000 1.127 170 R CA 1.275 57.271 56.100 -0.173 0.000 0.968 170 R CB -1.432 28.910 30.300 0.069 0.000 0.861 170 R HN 0.422 nan 8.270 nan 0.000 0.440 171 G N 1.064 109.331 108.800 -0.887 0.000 2.421 171 G HA2 -0.198 3.763 3.960 0.001 0.000 0.216 171 G HA3 -0.198 3.763 3.960 0.001 0.000 0.216 171 G C 1.627 176.235 174.900 -0.487 0.000 1.171 171 G CA 0.310 44.719 45.100 -1.152 0.000 0.775 171 G HN 0.200 nan 8.290 nan 0.000 0.543 172 L N 0.181 121.153 121.223 -0.420 0.000 2.079 172 L HA -0.086 4.254 4.340 0.001 0.000 0.210 172 L C 2.807 179.337 176.870 -0.568 0.000 1.081 172 L CA 1.470 56.013 54.840 -0.495 0.000 0.752 172 L CB -0.245 41.381 42.059 -0.723 0.000 0.896 172 L HN 0.232 nan 8.230 nan 0.000 0.433 173 E N 0.024 119.939 120.200 -0.474 0.000 2.077 173 E HA -0.180 4.170 4.350 0.001 0.000 0.193 173 E C 2.004 178.583 176.600 -0.035 0.000 0.989 173 E CA 2.085 58.431 56.400 -0.091 0.000 0.800 173 E CB -0.260 29.475 29.700 0.059 0.000 0.746 173 E HN 0.376 nan 8.360 nan 0.000 0.452 174 T N 0.070 114.568 114.554 -0.093 0.000 2.951 174 T HA -0.065 4.285 4.350 0.001 0.000 0.268 174 T C 1.540 176.256 174.700 0.026 0.000 1.073 174 T CA 0.950 63.042 62.100 -0.014 0.000 1.134 174 T CB -0.446 68.454 68.868 0.054 0.000 0.884 174 T HN 0.213 nan 8.240 nan 0.000 0.479 175 F N 2.952 122.832 119.950 -0.117 0.000 2.163 175 F HA -0.110 4.417 4.527 0.001 0.000 0.297 175 F C 2.593 178.351 175.800 -0.070 0.000 1.094 175 F CA 1.337 59.288 58.000 -0.083 0.000 1.290 175 F CB -0.430 38.508 39.000 -0.104 0.000 1.017 175 F HN 0.199 nan 8.300 nan 0.000 0.483 176 S N -0.213 115.503 115.700 0.027 0.000 2.383 176 S HA -0.280 4.190 4.470 0.001 0.000 0.229 176 S C 1.764 176.296 174.600 -0.113 0.000 1.030 176 S CA 1.342 59.531 58.200 -0.018 0.000 1.002 176 S CB -0.981 62.337 63.200 0.197 0.000 0.829 176 S HN 0.632 nan 8.310 nan 0.000 0.467 177 Q N 0.358 120.116 119.800 -0.070 0.000 2.541 177 Q HA 0.182 4.523 4.340 0.001 0.000 0.215 177 Q C 1.670 177.620 176.000 -0.083 0.000 0.977 177 Q CA 0.627 56.399 55.803 -0.051 0.000 0.934 177 Q CB -0.304 28.434 28.738 0.001 0.000 0.988 177 Q HN 0.618 nan 8.270 nan 0.000 0.521 178 L N -1.040 120.067 121.223 -0.192 0.000 2.388 178 L HA 0.097 4.437 4.340 0.001 0.000 0.209 178 L C 0.616 177.388 176.870 -0.164 0.000 1.061 178 L CA -0.057 54.670 54.840 -0.189 0.000 0.834 178 L CB 0.494 42.372 42.059 -0.301 0.000 1.029 178 L HN -0.088 nan 8.230 nan 0.000 0.473 179 V N 0.940 120.641 119.914 -0.355 0.000 2.673 179 V HA -0.033 4.087 4.120 0.001 0.000 0.303 179 V C -0.377 175.665 176.094 -0.085 0.000 1.046 179 V CA 0.163 62.263 62.300 -0.333 0.000 1.126 179 V CB -0.197 31.336 31.823 -0.484 0.000 0.934 179 V HN 0.261 nan 8.190 nan 0.000 0.487 180 Y N 1.571 121.791 120.300 -0.134 0.000 2.655 180 Y HA 0.714 5.265 4.550 0.001 0.000 0.336 180 Y C -0.721 175.124 175.900 -0.091 0.000 1.154 180 Y CA -1.536 56.504 58.100 -0.100 0.000 1.055 180 Y CB 1.355 39.754 38.460 -0.103 0.000 1.295 180 Y HN 0.498 nan 8.280 nan 0.000 0.465 181 Q N 1.948 121.759 119.800 0.018 0.000 2.282 181 Q HA 0.290 4.631 4.340 0.001 0.000 0.260 181 Q C -1.035 175.019 176.000 0.089 0.000 0.964 181 Q CA -1.045 54.675 55.803 -0.139 0.000 0.880 181 Q CB 2.030 30.584 28.738 -0.308 0.000 1.286 181 Q HN 0.783 nan 8.270 nan 0.000 0.445 182 D N 0.295 120.738 120.400 0.072 0.000 2.376 182 D HA 0.008 4.648 4.640 0.001 0.000 0.268 182 D C 0.513 176.851 176.300 0.064 0.000 1.252 182 D CA -0.441 53.659 54.000 0.167 0.000 1.041 182 D CB 0.215 41.145 40.800 0.217 0.000 1.109 182 D HN 0.332 nan 8.370 nan 0.000 0.552 183 S N -1.815 113.917 115.700 0.054 0.000 2.465 183 S HA -0.156 4.314 4.470 0.001 0.000 0.241 183 S C 0.918 175.315 174.600 -0.339 0.000 1.000 183 S CA 0.867 58.971 58.200 -0.160 0.000 0.964 183 S CB -0.641 62.406 63.200 -0.254 0.000 0.763 183 S HN 0.484 nan 8.310 nan 0.000 0.512 184 Y N 0.352 120.630 120.300 -0.036 0.000 2.584 184 Y HA 0.434 4.984 4.550 0.001 0.000 0.254 184 Y C 1.713 177.558 175.900 -0.092 0.000 1.177 184 Y CA -0.168 57.900 58.100 -0.052 0.000 1.216 184 Y CB 0.271 38.705 38.460 -0.044 0.000 1.172 184 Y HN 0.275 nan 8.280 nan 0.000 0.529 185 G N -0.070 108.708 108.800 -0.036 0.000 2.205 185 G HA2 -0.311 3.649 3.960 0.001 0.000 0.261 185 G HA3 -0.311 3.649 3.960 0.001 0.000 0.261 185 G C 0.323 175.040 174.900 -0.305 0.000 0.980 185 G CA 0.330 45.321 45.100 -0.182 0.000 0.632 185 G HN 0.264 nan 8.290 nan 0.000 0.533 186 T N 2.324 116.802 114.554 -0.127 0.000 2.765 186 T HA 0.368 4.718 4.350 0.001 0.000 0.284 186 T C 0.454 175.087 174.700 -0.112 0.000 0.946 186 T CA 0.019 62.064 62.100 -0.091 0.000 1.185 186 T CB 0.046 68.882 68.868 -0.052 0.000 0.887 186 T HN 0.229 nan 8.240 nan 0.000 0.532 187 F N 3.199 123.153 119.950 0.006 0.000 2.571 187 F HA 0.200 4.727 4.527 0.000 0.000 0.390 187 F C 1.471 177.182 175.800 -0.148 0.000 1.043 187 F CA 0.115 58.064 58.000 -0.084 0.000 1.164 187 F CB -0.103 38.898 39.000 0.001 0.000 1.049 187 F HN 0.443 nan 8.300 nan 0.000 0.552 188 T N 5.173 119.540 114.554 -0.311 0.000 2.906 188 T HA 0.718 5.068 4.350 0.001 0.000 0.295 188 T C -1.093 173.102 174.700 -0.843 0.000 1.075 188 T CA -0.711 61.045 62.100 -0.574 0.000 1.005 188 T CB 2.245 70.705 68.868 -0.680 0.000 1.136 188 T HN 0.517 nan 8.240 nan 0.000 0.498 189 I N 2.022 122.251 120.570 -0.568 0.000 2.667 189 I HA 0.325 4.495 4.170 0.001 0.000 0.288 189 I C -1.589 174.437 176.117 -0.153 0.000 1.267 189 I CA -0.809 60.296 61.300 -0.326 0.000 1.055 189 I CB 1.614 39.423 38.000 -0.320 0.000 1.294 189 I HN 0.476 nan 8.210 nan 0.000 0.429 190 N N 6.581 125.287 118.700 0.010 0.000 2.452 190 N HA 0.098 4.838 4.740 0.001 0.000 0.266 190 N C -0.641 174.864 175.510 -0.007 0.000 1.209 190 N CA -0.129 52.928 53.050 0.012 0.000 0.929 190 N CB 0.612 39.134 38.487 0.058 0.000 1.063 190 N HN 0.587 nan 8.380 nan 0.000 0.472 191 E N 0.765 120.957 120.200 -0.014 0.000 2.452 191 E HA 0.243 4.593 4.350 0.001 0.000 0.261 191 E C -0.356 176.257 176.600 0.021 0.000 0.987 191 E CA -0.276 56.128 56.400 0.007 0.000 0.926 191 E CB 0.415 30.119 29.700 0.008 0.000 0.934 191 E HN 0.575 nan 8.360 nan 0.000 0.452 192 S N 2.153 117.876 115.700 0.037 0.000 2.800 192 S HA 0.603 5.074 4.470 0.001 0.000 0.293 192 S C -0.888 173.744 174.600 0.055 0.000 1.209 192 S CA -0.939 57.285 58.200 0.041 0.000 0.884 192 S CB 1.764 64.989 63.200 0.041 0.000 1.244 192 S HN 0.530 nan 8.310 nan 0.000 0.540 193 T N 0.826 115.412 114.554 0.054 0.000 3.237 193 T HA 0.570 4.921 4.350 0.001 0.000 0.319 193 T C -1.648 173.087 174.700 0.058 0.000 1.037 193 T CA -0.202 61.932 62.100 0.057 0.000 1.048 193 T CB 0.760 69.652 68.868 0.040 0.000 1.081 193 T HN 0.556 nan 8.240 nan 0.000 0.455 194 I N 3.652 124.269 120.570 0.079 0.000 2.418 194 I HA 0.518 4.689 4.170 0.001 0.000 0.287 194 I C -0.550 175.576 176.117 0.014 0.000 1.008 194 I CA -0.434 60.909 61.300 0.071 0.000 1.104 194 I CB 1.564 39.657 38.000 0.154 0.000 1.264 194 I HN 0.572 nan 8.210 nan 0.000 0.438 195 I N 5.564 126.109 120.570 -0.042 0.000 2.355 195 I HA 0.416 4.586 4.170 0.001 0.000 0.288 195 I C -0.914 175.090 176.117 -0.188 0.000 0.999 195 I CA -0.319 60.913 61.300 -0.113 0.000 1.163 195 I CB 1.304 39.261 38.000 -0.071 0.000 1.316 195 I HN 0.453 nan 8.210 nan 0.000 0.454 196 D N 4.421 124.587 120.400 -0.389 0.000 2.732 196 D HA 0.711 5.351 4.640 0.001 0.000 0.229 196 D C -1.186 174.896 176.300 -0.364 0.000 1.152 196 D CA -0.111 53.666 54.000 -0.372 0.000 0.854 196 D CB 2.324 42.886 40.800 -0.396 0.000 1.590 196 D HN 0.527 nan 8.370 nan 0.000 0.468 197 S N 1.475 116.981 115.700 -0.324 0.000 2.565 197 S HA 0.660 5.130 4.470 0.001 0.000 0.274 197 S C -3.101 170.881 174.600 -1.031 0.000 1.144 197 S CA -1.144 56.782 58.200 -0.457 0.000 0.849 197 S CB 2.002 65.033 63.200 -0.280 0.000 1.103 197 S HN 0.237 nan 8.310 nan 0.000 0.455 198 P HA 0.312 nan 4.420 nan 0.000 0.275 198 P C 0.116 176.978 177.300 -0.731 0.000 1.227 198 P CA -0.441 61.838 63.100 -1.369 0.000 0.781 198 P CB 0.855 32.118 31.700 -0.728 0.000 0.906 199 R N 1.443 121.531 120.500 -0.687 0.000 2.193 199 R HA 0.075 4.416 4.340 0.001 0.000 0.213 199 R C -0.249 175.503 176.300 -0.912 0.000 1.055 199 R CA 0.860 56.531 56.100 -0.716 0.000 0.995 199 R CB 0.025 29.889 30.300 -0.726 0.000 0.893 199 R HN 0.397 nan 8.270 nan 0.000 0.459 200 F N -1.506 118.391 119.950 -0.087 0.000 2.588 200 F HA 0.220 4.747 4.527 0.001 0.000 0.310 200 F C 0.966 176.758 175.800 -0.013 0.000 1.082 200 F CA -1.005 56.997 58.000 0.004 0.000 0.929 200 F CB 2.224 41.276 39.000 0.086 0.000 1.254 200 F HN -0.178 nan 8.300 nan 0.000 0.455 201 S N -0.948 114.882 115.700 0.216 0.000 2.503 201 S HA 0.015 4.486 4.470 0.001 0.000 0.217 201 S C 0.362 175.042 174.600 0.133 0.000 0.999 201 S CA 0.410 58.687 58.200 0.128 0.000 0.914 201 S CB -0.243 63.014 63.200 0.095 0.000 0.782 201 S HN 0.651 nan 8.310 nan 0.000 0.520 202 H N 2.137 121.238 119.070 0.053 0.000 2.691 202 H HA 0.458 5.014 4.556 0.000 0.000 0.281 202 H C -0.932 174.413 175.328 0.028 0.000 1.121 202 H CA -0.437 55.614 56.048 0.004 0.000 1.254 202 H CB 0.199 29.912 29.762 -0.082 0.000 1.390 202 H HN 0.276 nan 8.280 nan 0.000 0.491 203 R N 3.325 123.762 120.500 -0.105 0.000 2.412 203 R HA 0.455 4.796 4.340 0.001 0.000 0.304 203 R C -0.410 175.970 176.300 0.132 0.000 1.066 203 R CA -0.815 55.268 56.100 -0.029 0.000 0.923 203 R CB 1.893 32.127 30.300 -0.110 0.000 1.156 203 R HN 0.585 nan 8.270 nan 0.000 0.513 204 G N 2.723 111.677 108.800 0.256 0.000 2.660 204 G HA2 0.590 4.550 3.960 0.001 0.000 0.294 204 G HA3 0.590 4.550 3.960 0.001 0.000 0.294 204 G C -1.009 173.995 174.900 0.172 0.000 1.369 204 G CA -0.480 44.762 45.100 0.236 0.000 0.912 204 G HN 0.221 nan 8.290 nan 0.000 0.479 205 I N 0.549 121.099 120.570 -0.034 0.000 2.530 205 I HA 0.472 4.642 4.170 0.001 0.000 0.297 205 I C -0.601 175.411 176.117 -0.175 0.000 1.011 205 I CA -0.838 60.335 61.300 -0.211 0.000 1.107 205 I CB 1.814 39.573 38.000 -0.400 0.000 1.285 205 I HN 0.363 nan 8.210 nan 0.000 0.436 206 L N 7.066 128.112 121.223 -0.295 0.000 2.294 206 L HA 0.562 4.903 4.340 0.001 0.000 0.283 206 L C -0.384 176.203 176.870 -0.472 0.000 1.015 206 L CA -0.504 54.089 54.840 -0.411 0.000 0.831 206 L CB 0.937 42.559 42.059 -0.728 0.000 1.217 206 L HN 0.546 nan 8.230 nan 0.000 0.420 207 I N 0.762 121.141 120.570 -0.318 0.000 2.498 207 I HA 0.552 4.722 4.170 0.001 0.000 0.301 207 I C -0.936 175.079 176.117 -0.171 0.000 0.984 207 I CA -0.570 60.562 61.300 -0.278 0.000 1.204 207 I CB 1.756 39.605 38.000 -0.252 0.000 1.362 207 I HN 0.451 nan 8.210 nan 0.000 0.471 208 D N 3.764 124.076 120.400 -0.147 0.000 2.461 208 D HA 0.230 4.870 4.640 0.001 0.000 0.240 208 D C 0.506 176.902 176.300 0.159 0.000 1.094 208 D CA -0.498 53.491 54.000 -0.019 0.000 0.868 208 D CB 1.305 42.035 40.800 -0.116 0.000 1.062 208 D HN 0.743 nan 8.370 nan 0.000 0.530 209 T N -0.355 114.373 114.554 0.291 0.000 3.186 209 T HA 0.121 4.471 4.350 0.001 0.000 0.257 209 T C 1.199 176.165 174.700 0.444 0.000 1.029 209 T CA 0.050 62.390 62.100 0.400 0.000 0.916 209 T CB 0.272 69.508 68.868 0.613 0.000 1.041 209 T HN 0.142 nan 8.240 nan 0.000 0.562 210 S N 0.346 116.258 115.700 0.354 0.000 2.599 210 S HA 0.203 4.673 4.470 0.001 0.000 0.236 210 S C 1.972 176.777 174.600 0.341 0.000 1.077 210 S CA -0.258 58.133 58.200 0.318 0.000 0.906 210 S CB -0.016 63.332 63.200 0.246 0.000 0.804 210 S HN 0.284 nan 8.310 nan 0.000 0.497 211 R N 0.647 121.319 120.500 0.286 0.000 2.092 211 R HA 0.232 4.572 4.340 0.001 0.000 0.231 211 R C -0.092 176.231 176.300 0.039 0.000 1.119 211 R CA 1.233 57.451 56.100 0.196 0.000 0.970 211 R CB -0.311 30.090 30.300 0.169 0.000 0.864 211 R HN 0.516 nan 8.270 nan 0.000 0.440 212 H N -2.783 116.450 119.070 0.272 0.000 2.865 212 H HA 0.212 4.768 4.556 0.000 0.000 0.362 212 H C -1.604 173.920 175.328 0.327 0.000 1.114 212 H CA -0.981 55.195 56.048 0.213 0.000 1.208 212 H CB 1.187 31.003 29.762 0.090 0.000 1.727 212 H HN -0.020 nan 8.280 nan 0.000 0.534 213 Y N 3.429 123.946 120.300 0.362 0.000 2.377 213 Y HA 0.317 4.867 4.550 0.000 0.000 0.330 213 Y C -1.012 175.027 175.900 0.233 0.000 1.108 213 Y CA -0.369 57.929 58.100 0.331 0.000 1.308 213 Y CB 0.382 39.040 38.460 0.331 0.000 1.216 213 Y HN 0.472 nan 8.280 nan 0.000 0.518 214 L N 9.359 130.378 121.223 -0.340 0.000 2.296 214 L HA 0.440 4.780 4.340 0.001 0.000 0.286 214 L C -2.273 174.278 176.870 -0.532 0.000 1.023 214 L CA -2.313 52.354 54.840 -0.288 0.000 0.812 214 L CB 1.313 43.323 42.059 -0.080 0.000 1.223 214 L HN 0.561 nan 8.230 nan 0.000 0.421 215 P HA -0.026 nan 4.420 nan 0.000 0.266 215 P C 1.008 178.270 177.300 -0.063 0.000 1.195 215 P CA -0.204 62.796 63.100 -0.167 0.000 0.768 215 P CB 0.807 32.469 31.700 -0.063 0.000 0.838 216 V N 3.336 123.272 119.914 0.036 0.000 2.392 216 V HA -0.271 3.849 4.120 0.001 0.000 0.249 216 V C 2.254 178.299 176.094 -0.082 0.000 1.059 216 V CA 1.708 64.027 62.300 0.032 0.000 1.051 216 V CB -0.957 30.918 31.823 0.088 0.000 0.658 216 V HN 0.654 nan 8.190 nan 0.000 0.455 217 K N -0.350 120.007 120.400 -0.071 0.000 2.059 217 K HA -0.233 4.087 4.320 0.001 0.000 0.212 217 K C 2.156 178.693 176.600 -0.105 0.000 1.050 217 K CA 2.216 58.447 56.287 -0.094 0.000 0.927 217 K CB -0.372 32.094 32.500 -0.056 0.000 0.714 217 K HN 0.467 nan 8.250 nan 0.000 0.447 218 I N 0.843 121.360 120.570 -0.088 0.000 2.353 218 I HA -0.229 3.941 4.170 0.001 0.000 0.248 218 I C 2.040 178.088 176.117 -0.115 0.000 1.119 218 I CA 0.906 62.157 61.300 -0.081 0.000 1.417 218 I CB 0.066 38.026 38.000 -0.065 0.000 1.078 218 I HN 0.148 nan 8.210 nan 0.000 0.421 219 I N 0.710 121.179 120.570 -0.168 0.000 2.208 219 I HA -0.337 3.833 4.170 0.001 0.000 0.245 219 I C 2.339 178.325 176.117 -0.218 0.000 1.097 219 I CA 1.407 62.554 61.300 -0.255 0.000 1.363 219 I CB -0.298 37.460 38.000 -0.404 0.000 1.051 219 I HN 0.261 nan 8.210 nan 0.000 0.413 220 L N 0.209 121.292 121.223 -0.233 0.000 2.056 220 L HA -0.189 4.152 4.340 0.001 0.000 0.207 220 L C 2.522 179.345 176.870 -0.079 0.000 1.078 220 L CA 1.379 56.045 54.840 -0.290 0.000 0.749 220 L CB -0.650 41.008 42.059 -0.668 0.000 0.901 220 L HN 0.169 nan 8.230 nan 0.000 0.433 221 K N -0.333 120.016 120.400 -0.085 0.000 2.097 221 K HA -0.124 4.196 4.320 0.001 0.000 0.206 221 K C 2.058 178.623 176.600 -0.059 0.000 1.049 221 K CA 1.643 57.909 56.287 -0.035 0.000 0.933 221 K CB -0.195 32.290 32.500 -0.026 0.000 0.717 221 K HN 0.218 nan 8.250 nan 0.000 0.442 222 T N 1.682 116.211 114.554 -0.042 0.000 2.929 222 T HA -0.054 4.296 4.350 0.001 0.000 0.271 222 T C 1.655 176.315 174.700 -0.066 0.000 1.085 222 T CA 0.806 62.910 62.100 0.007 0.000 1.125 222 T CB -0.007 68.867 68.868 0.008 0.000 0.874 222 T HN 0.129 nan 8.240 nan 0.000 0.494 223 L N 0.382 121.565 121.223 -0.067 0.000 2.179 223 L HA -0.014 4.326 4.340 0.001 0.000 0.208 223 L C 2.390 179.129 176.870 -0.219 0.000 1.096 223 L CA 0.869 55.667 54.840 -0.069 0.000 0.779 223 L CB -0.318 41.788 42.059 0.079 0.000 0.922 223 L HN 0.171 nan 8.230 nan 0.000 0.443 224 D N 0.471 120.719 120.400 -0.255 0.000 2.097 224 D HA -0.150 4.490 4.640 0.001 0.000 0.197 224 D C 2.222 177.757 176.300 -1.276 0.000 0.984 224 D CA 1.506 55.135 54.000 -0.617 0.000 0.826 224 D CB 0.104 40.718 40.800 -0.310 0.000 0.973 224 D HN 0.291 nan 8.370 nan 0.000 0.460 225 A N 1.116 123.441 122.820 -0.825 0.000 1.908 225 A HA -0.188 4.133 4.320 0.001 0.000 0.218 225 A C 2.297 179.355 177.584 -0.876 0.000 1.181 225 A CA 1.413 52.895 52.037 -0.924 0.000 0.627 225 A CB -0.596 17.671 19.000 -1.222 0.000 0.818 225 A HN 0.146 nan 8.150 nan 0.000 0.445 226 M N -0.733 118.530 119.600 -0.561 0.000 2.117 226 M HA -0.157 4.323 4.480 0.001 0.000 0.262 226 M C 2.530 178.768 176.300 -0.103 0.000 1.065 226 M CA 1.428 56.604 55.300 -0.207 0.000 1.114 226 M CB -0.394 32.164 32.600 -0.070 0.000 1.361 226 M HN 0.498 nan 8.290 nan 0.000 0.408 227 A N 0.199 122.840 122.820 -0.298 0.000 1.933 227 A HA -0.142 4.179 4.320 0.001 0.000 0.218 227 A C 1.733 179.264 177.584 -0.088 0.000 1.175 227 A CA 1.437 53.351 52.037 -0.206 0.000 0.628 227 A CB -0.838 17.983 19.000 -0.299 0.000 0.814 227 A HN 0.407 nan 8.150 nan 0.000 0.444 228 F N 0.684 120.577 119.950 -0.095 0.000 2.146 228 F HA -0.078 4.449 4.527 0.000 0.000 0.298 228 F C 1.917 177.736 175.800 0.032 0.000 1.096 228 F CA 0.898 58.855 58.000 -0.071 0.000 1.275 228 F CB -0.792 38.096 39.000 -0.186 0.000 1.008 228 F HN 0.232 nan 8.300 nan 0.000 0.480 229 N N 0.470 119.297 118.700 0.211 0.000 2.398 229 N HA -0.041 4.699 4.740 0.001 0.000 0.188 229 N C 0.154 175.761 175.510 0.162 0.000 1.122 229 N CA 0.258 53.484 53.050 0.293 0.000 0.866 229 N CB -0.053 38.734 38.487 0.499 0.000 0.970 229 N HN 0.272 nan 8.380 nan 0.000 0.462 230 K N -0.119 120.319 120.400 0.064 0.000 3.129 230 K HA -0.174 4.146 4.320 0.001 0.000 0.273 230 K C -0.611 175.996 176.600 0.010 0.000 1.123 230 K CA 0.363 56.605 56.287 -0.076 0.000 0.800 230 K CB -1.904 30.315 32.500 -0.469 0.000 1.238 230 K HN 0.120 nan 8.250 nan 0.000 0.492 231 F N 1.321 121.300 119.950 0.049 0.000 2.444 231 F HA 0.061 4.588 4.527 0.001 0.000 0.331 231 F C 1.703 177.523 175.800 0.034 0.000 1.167 231 F CA 0.441 58.482 58.000 0.068 0.000 1.262 231 F CB 0.424 39.474 39.000 0.083 0.000 1.196 231 F HN 0.212 nan 8.300 nan 0.000 0.583 232 N N -1.152 117.661 118.700 0.187 0.000 2.116 232 N HA 0.165 4.905 4.740 0.001 0.000 0.230 232 N C -1.333 174.178 175.510 0.003 0.000 1.326 232 N CA 0.133 53.228 53.050 0.075 0.000 0.867 232 N CB 0.295 38.811 38.487 0.048 0.000 1.174 232 N HN 0.169 nan 8.380 nan 0.000 0.506 233 V N 1.370 121.287 119.914 0.004 0.000 2.623 233 V HA 0.450 4.570 4.120 0.001 0.000 0.304 233 V C -1.260 174.833 176.094 -0.003 0.000 1.054 233 V CA -0.860 61.397 62.300 -0.072 0.000 0.882 233 V CB 2.342 33.960 31.823 -0.341 0.000 1.002 233 V HN 0.157 nan 8.190 nan 0.000 0.424 234 L N 4.475 125.702 121.223 0.007 0.000 2.313 234 L HA 0.504 4.844 4.340 0.001 0.000 0.273 234 L C 0.034 176.933 176.870 0.050 0.000 1.028 234 L CA -0.124 54.714 54.840 -0.002 0.000 0.871 234 L CB 0.562 42.593 42.059 -0.048 0.000 1.242 234 L HN 0.770 nan 8.230 nan 0.000 0.434 235 H N 4.771 123.811 119.070 -0.050 0.000 3.291 235 H HA 0.032 4.588 4.556 0.001 0.000 0.256 235 H C -0.912 174.398 175.328 -0.029 0.000 1.315 235 H CA -0.265 55.755 56.048 -0.047 0.000 1.521 235 H CB 0.275 29.993 29.762 -0.073 0.000 1.621 235 H HN 0.652 nan 8.280 nan 0.000 0.498 236 W N 7.641 128.904 121.300 -0.062 0.000 2.365 236 W HA 0.049 4.709 4.660 0.000 0.000 0.371 236 W C -0.208 176.222 176.519 -0.150 0.000 1.006 236 W CA -0.765 56.504 57.345 -0.127 0.000 1.528 236 W CB -0.612 28.734 29.460 -0.189 0.000 1.497 236 W HN 0.652 nan 8.180 nan 0.000 0.367 237 H N 6.136 125.299 119.070 0.155 0.000 3.392 237 H HA -0.011 4.545 4.556 0.001 0.000 0.253 237 H C 1.336 176.601 175.328 -0.106 0.000 1.682 237 H CA 0.543 56.579 56.048 -0.021 0.000 1.535 237 H CB -0.109 29.568 29.762 -0.141 0.000 1.823 237 H HN 0.563 nan 8.280 nan 0.000 0.576 238 I N 3.469 123.748 120.570 -0.485 0.000 2.439 238 I HA -0.154 4.016 4.170 0.001 0.000 0.251 238 I C 0.260 176.153 176.117 -0.373 0.000 1.139 238 I CA 0.612 61.499 61.300 -0.688 0.000 1.438 238 I CB 0.431 37.577 38.000 -1.423 0.000 1.085 238 I HN 0.264 nan 8.210 nan 0.000 0.427 239 V N -2.556 117.120 119.914 -0.398 0.000 2.914 239 V HA 0.620 4.741 4.120 0.001 0.000 0.314 239 V C -0.786 175.394 176.094 0.143 0.000 1.084 239 V CA -0.799 61.395 62.300 -0.177 0.000 0.963 239 V CB 1.937 33.475 31.823 -0.474 0.000 1.025 239 V HN 0.048 nan 8.190 nan 0.000 0.432 240 D N 0.165 120.742 120.400 0.296 0.000 3.309 240 D HA 0.225 4.865 4.640 0.001 0.000 0.335 240 D C -0.003 176.501 176.300 0.339 0.000 1.393 240 D CA -0.207 54.033 54.000 0.400 0.000 0.963 240 D CB 2.159 43.240 40.800 0.469 0.000 1.431 240 D HN 0.563 nan 8.370 nan 0.000 0.583 241 D N -0.297 120.265 120.400 0.271 0.000 2.144 241 D HA -0.119 4.521 4.640 0.001 0.000 0.199 241 D C 1.681 178.043 176.300 0.102 0.000 0.984 241 D CA 1.529 55.625 54.000 0.159 0.000 0.834 241 D CB 0.282 41.131 40.800 0.080 0.000 0.955 241 D HN 0.221 nan 8.370 nan 0.000 0.465 242 Q N 0.025 119.873 119.800 0.079 0.000 2.096 242 Q HA 0.039 4.379 4.340 0.001 0.000 0.197 242 Q C 0.685 176.529 176.000 -0.260 0.000 0.964 242 Q CA 0.438 56.232 55.803 -0.016 0.000 0.838 242 Q CB 0.275 29.064 28.738 0.085 0.000 0.906 242 Q HN 0.194 nan 8.270 nan 0.000 0.444 243 S N -1.644 113.912 115.700 -0.240 0.000 2.550 243 S HA 0.555 5.026 4.470 0.001 0.000 0.270 243 S C -1.533 173.069 174.600 0.003 0.000 1.145 243 S CA -0.954 57.023 58.200 -0.371 0.000 0.852 243 S CB 0.797 63.382 63.200 -1.025 0.000 1.119 243 S HN 0.106 nan 8.310 nan 0.000 0.465 244 F N 3.687 123.588 119.950 -0.082 0.000 2.359 244 F HA 0.544 5.071 4.527 0.000 0.000 0.370 244 F C -2.078 173.752 175.800 0.049 0.000 1.077 244 F CA -2.111 55.893 58.000 0.007 0.000 1.136 244 F CB 2.132 41.093 39.000 -0.065 0.000 1.387 244 F HN 0.457 nan 8.300 nan 0.000 0.468 245 P HA -0.091 nan 4.420 nan 0.000 0.230 245 P C -0.022 177.425 177.300 0.245 0.000 1.168 245 P CA 0.545 63.759 63.100 0.190 0.000 0.793 245 P CB -0.118 31.806 31.700 0.373 0.000 0.851 246 Y N 2.529 122.824 120.300 -0.008 0.000 2.569 246 Y HA 0.114 4.664 4.550 0.000 0.000 0.332 246 Y C 0.690 176.749 175.900 0.266 0.000 1.120 246 Y CA -0.312 57.837 58.100 0.082 0.000 1.416 246 Y CB 0.068 38.489 38.460 -0.066 0.000 1.210 246 Y HN -0.100 nan 8.280 nan 0.000 0.528 247 Q N 4.918 124.429 119.800 -0.481 0.000 2.294 247 Q HA 0.276 4.616 4.340 0.001 0.000 0.257 247 Q C -0.902 174.679 176.000 -0.699 0.000 0.955 247 Q CA -0.396 55.171 55.803 -0.394 0.000 0.936 247 Q CB 0.759 29.379 28.738 -0.197 0.000 1.188 247 Q HN 0.718 nan 8.270 nan 0.000 0.420 248 S N 4.645 120.171 115.700 -0.289 0.000 2.433 248 S HA 0.293 4.764 4.470 0.001 0.000 0.310 248 S C 1.079 175.622 174.600 -0.094 0.000 1.097 248 S CA -0.654 57.461 58.200 -0.142 0.000 1.103 248 S CB 0.456 63.755 63.200 0.166 0.000 0.992 248 S HN 0.811 nan 8.310 nan 0.000 0.469 249 I N 4.003 124.504 120.570 -0.115 0.000 2.118 249 I HA -0.217 3.953 4.170 0.001 0.000 0.241 249 I C 2.408 178.445 176.117 -0.133 0.000 1.070 249 I CA 1.675 62.910 61.300 -0.108 0.000 1.327 249 I CB -0.783 37.155 38.000 -0.102 0.000 1.034 249 I HN 0.611 nan 8.210 nan 0.000 0.405 250 T N 0.093 114.540 114.554 -0.178 0.000 2.770 250 T HA -0.033 4.317 4.350 0.001 0.000 0.263 250 T C 0.460 174.831 174.700 -0.548 0.000 1.039 250 T CA 1.041 62.909 62.100 -0.386 0.000 1.142 250 T CB -0.286 68.286 68.868 -0.494 0.000 0.868 250 T HN 0.033 nan 8.240 nan 0.000 0.435 251 F N 2.271 122.230 119.950 0.014 0.000 2.363 251 F HA 0.358 4.885 4.527 0.001 0.000 0.366 251 F C -1.743 174.055 175.800 -0.004 0.000 1.083 251 F CA -2.789 55.236 58.000 0.042 0.000 1.176 251 F CB 1.397 40.479 39.000 0.137 0.000 1.432 251 F HN -0.036 nan 8.300 nan 0.000 0.482 252 P HA -0.176 nan 4.420 nan 0.000 0.220 252 P C 1.074 178.384 177.300 0.016 0.000 1.148 252 P CA 1.391 64.504 63.100 0.021 0.000 0.803 252 P CB 0.446 32.140 31.700 -0.009 0.000 0.782 253 E N -0.020 120.198 120.200 0.029 0.000 2.268 253 E HA -0.062 4.288 4.350 0.001 0.000 0.195 253 E C 2.188 178.730 176.600 -0.096 0.000 0.995 253 E CA 0.596 56.982 56.400 -0.023 0.000 0.836 253 E CB -0.501 29.191 29.700 -0.014 0.000 0.763 253 E HN 0.385 nan 8.360 nan 0.000 0.491 254 L N 0.913 122.044 121.223 -0.154 0.000 2.079 254 L HA -0.185 4.155 4.340 0.001 0.000 0.210 254 L C 2.558 179.242 176.870 -0.309 0.000 1.081 254 L CA 1.732 56.297 54.840 -0.460 0.000 0.752 254 L CB -0.588 40.975 42.059 -0.828 0.000 0.896 254 L HN 0.166 nan 8.230 nan 0.000 0.433 255 S N -2.015 113.672 115.700 -0.022 0.000 2.468 255 S HA -0.013 4.457 4.470 0.001 0.000 0.226 255 S C 1.700 176.314 174.600 0.023 0.000 1.051 255 S CA -0.045 58.228 58.200 0.121 0.000 0.943 255 S CB -0.333 62.971 63.200 0.173 0.000 0.810 255 S HN 0.293 nan 8.310 nan 0.000 0.509 256 N N 1.770 120.464 118.700 -0.010 0.000 2.247 256 N HA -0.062 4.678 4.740 0.001 0.000 0.189 256 N C 1.311 176.803 175.510 -0.030 0.000 1.009 256 N CA 1.293 54.331 53.050 -0.021 0.000 0.872 256 N CB -0.087 38.386 38.487 -0.024 0.000 0.980 256 N HN 0.450 nan 8.380 nan 0.000 0.436 257 K N -1.994 118.379 120.400 -0.045 0.000 2.502 257 K HA 0.255 4.576 4.320 0.001 0.000 0.211 257 K C 1.043 177.609 176.600 -0.057 0.000 1.259 257 K CA 0.174 56.428 56.287 -0.054 0.000 0.983 257 K CB 0.867 33.323 32.500 -0.072 0.000 1.054 257 K HN 0.046 nan 8.250 nan 0.000 0.572 258 G N 0.140 108.909 108.800 -0.051 0.000 3.441 258 G HA2 0.093 4.053 3.960 0.001 0.000 0.263 258 G HA3 0.093 4.053 3.960 0.001 0.000 0.263 258 G C -0.172 174.730 174.900 0.003 0.000 1.014 258 G CA -0.097 44.982 45.100 -0.035 0.000 0.833 258 G HN 0.208 nan 8.290 nan 0.000 0.514 259 S N -0.873 114.827 115.700 0.000 0.000 2.672 259 S HA 0.419 4.889 4.470 0.001 0.000 0.276 259 S C 0.950 175.497 174.600 -0.089 0.000 1.207 259 S CA -0.600 57.582 58.200 -0.030 0.000 1.002 259 S CB 1.144 64.355 63.200 0.018 0.000 0.998 259 S HN 0.095 nan 8.310 nan 0.000 0.542 260 Y N 1.691 121.966 120.300 -0.042 0.000 2.151 260 Y HA -0.047 4.503 4.550 0.000 0.000 0.284 260 Y C 1.669 177.450 175.900 -0.199 0.000 1.166 260 Y CA 1.439 59.450 58.100 -0.149 0.000 1.163 260 Y CB -0.539 37.763 38.460 -0.264 0.000 0.974 260 Y HN 0.992 nan 8.280 nan 0.000 0.511 261 S N -3.315 112.370 115.700 -0.026 0.000 2.615 261 S HA 0.266 4.736 4.470 0.001 0.000 0.268 261 S C -0.137 174.459 174.600 -0.005 0.000 1.146 261 S CA -0.831 57.350 58.200 -0.031 0.000 0.818 261 S CB 0.565 63.729 63.200 -0.060 0.000 1.111 261 S HN -0.100 nan 8.310 nan 0.000 0.465 262 L N 1.949 123.168 121.223 -0.007 0.000 2.362 262 L HA 0.043 4.383 4.340 0.001 0.000 0.219 262 L C 2.705 179.550 176.870 -0.043 0.000 1.134 262 L CA 2.075 56.901 54.840 -0.023 0.000 0.807 262 L CB -0.911 41.139 42.059 -0.016 0.000 0.927 262 L HN 0.931 nan 8.230 nan 0.000 0.447 263 S N -2.638 113.054 115.700 -0.013 0.000 2.478 263 S HA -0.027 4.443 4.470 0.001 0.000 0.222 263 S C 1.109 175.536 174.600 -0.287 0.000 1.008 263 S CA 0.142 58.302 58.200 -0.066 0.000 0.928 263 S CB -0.500 62.709 63.200 0.014 0.000 0.781 263 S HN 0.468 nan 8.310 nan 0.000 0.518 264 H N 1.289 120.071 119.070 -0.480 0.000 2.680 264 H HA 0.573 5.130 4.556 0.001 0.000 0.224 264 H C -0.916 173.793 175.328 -1.031 0.000 1.866 264 H CA -0.162 55.228 56.048 -1.098 0.000 1.302 264 H CB -0.021 29.420 29.762 -0.534 0.000 1.709 264 H HN 0.159 nan 8.280 nan 0.000 0.537 265 V N 1.689 121.098 119.914 -0.842 0.000 3.087 265 V HA 0.183 4.303 4.120 0.001 0.000 0.306 265 V C -1.084 174.891 176.094 -0.199 0.000 1.187 265 V CA -0.932 61.177 62.300 -0.319 0.000 0.999 265 V CB 2.608 34.352 31.823 -0.131 0.000 1.049 265 V HN 0.405 nan 8.190 nan 0.000 0.431 266 Y N 1.564 121.997 120.300 0.222 0.000 2.402 266 Y HA 0.480 5.030 4.550 0.001 0.000 0.332 266 Y C 0.964 176.910 175.900 0.076 0.000 0.960 266 Y CA -0.602 57.637 58.100 0.232 0.000 1.228 266 Y CB 1.767 40.405 38.460 0.296 0.000 1.120 266 Y HN 0.748 nan 8.280 nan 0.000 0.491 267 T N 1.082 115.746 114.554 0.184 0.000 2.868 267 T HA 0.129 4.480 4.350 0.001 0.000 0.292 267 T C -1.575 173.158 174.700 0.055 0.000 1.028 267 T CA -1.848 60.289 62.100 0.062 0.000 1.059 267 T CB 1.299 70.192 68.868 0.041 0.000 0.991 267 T HN 0.289 nan 8.240 nan 0.000 0.531 268 P HA -0.240 nan 4.420 nan 0.000 0.222 268 P C 1.344 178.653 177.300 0.016 0.000 1.157 268 P CA 1.703 64.790 63.100 -0.022 0.000 0.905 268 P CB -0.073 31.602 31.700 -0.041 0.000 0.792 269 N N -0.836 117.882 118.700 0.030 0.000 2.142 269 N HA -0.135 4.606 4.740 0.001 0.000 0.186 269 N C 1.275 176.833 175.510 0.079 0.000 1.023 269 N CA 1.483 54.559 53.050 0.044 0.000 0.852 269 N CB -0.680 37.829 38.487 0.036 0.000 0.998 269 N HN -0.047 nan 8.380 nan 0.000 0.424 270 D N -0.446 120.028 120.400 0.123 0.000 2.123 270 D HA -0.120 4.520 4.640 0.001 0.000 0.196 270 D C 2.024 178.458 176.300 0.224 0.000 0.992 270 D CA 0.816 54.933 54.000 0.195 0.000 0.833 270 D CB -0.459 40.530 40.800 0.315 0.000 0.954 270 D HN 0.093 nan 8.370 nan 0.000 0.455 271 V N 0.795 120.838 119.914 0.215 0.000 2.261 271 V HA -0.238 3.882 4.120 0.001 0.000 0.246 271 V C 2.553 178.696 176.094 0.082 0.000 1.047 271 V CA 1.827 64.242 62.300 0.191 0.000 1.015 271 V CB -0.501 31.361 31.823 0.065 0.000 0.642 271 V HN 0.162 nan 8.190 nan 0.000 0.446 272 R N -0.148 120.370 120.500 0.030 0.000 2.103 272 R HA -0.257 4.083 4.340 0.001 0.000 0.242 272 R C 2.325 178.674 176.300 0.082 0.000 1.142 272 R CA 2.499 58.617 56.100 0.030 0.000 0.960 272 R CB -0.344 29.973 30.300 0.028 0.000 0.858 272 R HN 0.551 nan 8.270 nan 0.000 0.439 273 M N 0.099 119.751 119.600 0.086 0.000 2.132 273 M HA -0.123 4.357 4.480 0.001 0.000 0.263 273 M C 1.855 178.213 176.300 0.097 0.000 1.065 273 M CA 1.518 56.868 55.300 0.083 0.000 1.122 273 M CB 0.144 32.773 32.600 0.048 0.000 1.365 273 M HN 0.095 nan 8.290 nan 0.000 0.411 274 V N 0.869 120.835 119.914 0.086 0.000 2.343 274 V HA -0.278 3.842 4.120 0.001 0.000 0.247 274 V C 2.281 178.459 176.094 0.140 0.000 1.051 274 V CA 1.845 64.177 62.300 0.054 0.000 1.036 274 V CB -0.635 31.162 31.823 -0.043 0.000 0.654 274 V HN 0.515 nan 8.190 nan 0.000 0.451 275 I N -0.586 120.083 120.570 0.165 0.000 2.113 275 I HA -0.192 3.978 4.170 0.001 0.000 0.238 275 I C 2.738 179.018 176.117 0.271 0.000 1.070 275 I CA 1.469 62.892 61.300 0.205 0.000 1.332 275 I CB -0.459 37.615 38.000 0.124 0.000 1.044 275 I HN 0.264 nan 8.210 nan 0.000 0.402 276 E N 0.325 120.673 120.200 0.246 0.000 2.058 276 E HA -0.267 4.083 4.350 0.001 0.000 0.194 276 E C 2.096 178.807 176.600 0.186 0.000 0.997 276 E CA 1.526 58.055 56.400 0.216 0.000 0.801 276 E CB -0.497 29.300 29.700 0.162 0.000 0.746 276 E HN 0.440 nan 8.360 nan 0.000 0.450 277 Y N 1.034 121.367 120.300 0.056 0.000 2.102 277 Y HA -0.336 4.215 4.550 0.001 0.000 0.280 277 Y C 2.248 178.167 175.900 0.031 0.000 1.178 277 Y CA 2.111 60.225 58.100 0.024 0.000 1.146 277 Y CB -0.582 37.876 38.460 -0.003 0.000 0.968 277 Y HN 0.072 nan 8.280 nan 0.000 0.504 278 A N -0.075 122.840 122.820 0.159 0.000 1.898 278 A HA -0.196 4.125 4.320 0.001 0.000 0.216 278 A C 2.394 180.031 177.584 0.089 0.000 1.181 278 A CA 1.646 53.737 52.037 0.090 0.000 0.620 278 A CB -0.781 18.296 19.000 0.127 0.000 0.819 278 A HN 0.495 nan 8.150 nan 0.000 0.442 279 R N -0.274 120.313 120.500 0.146 0.000 2.105 279 R HA -0.076 4.264 4.340 0.001 0.000 0.239 279 R C 1.540 177.910 176.300 0.117 0.000 1.135 279 R CA 1.412 57.598 56.100 0.143 0.000 0.967 279 R CB -0.410 29.911 30.300 0.034 0.000 0.861 279 R HN 0.547 nan 8.270 nan 0.000 0.442 280 L N -0.125 121.108 121.223 0.017 0.000 2.622 280 L HA -0.050 4.291 4.340 0.001 0.000 0.233 280 L C 1.527 178.386 176.870 -0.018 0.000 1.156 280 L CA 0.923 55.742 54.840 -0.035 0.000 0.866 280 L CB -0.009 41.980 42.059 -0.117 0.000 0.980 280 L HN 0.125 nan 8.230 nan 0.000 0.448 281 R N -1.236 119.279 120.500 0.024 0.000 2.544 281 R HA 0.244 4.585 4.340 0.001 0.000 0.303 281 R C 1.069 177.456 176.300 0.144 0.000 0.939 281 R CA 0.484 56.608 56.100 0.041 0.000 1.102 281 R CB 1.087 31.337 30.300 -0.083 0.000 1.440 281 R HN 0.148 nan 8.270 nan 0.000 0.532 282 G N 1.556 110.488 108.800 0.220 0.000 2.137 282 G HA2 -0.251 3.709 3.960 0.001 0.000 0.237 282 G HA3 -0.251 3.709 3.960 0.001 0.000 0.237 282 G C -0.187 174.734 174.900 0.036 0.000 1.002 282 G CA -0.188 45.045 45.100 0.222 0.000 0.702 282 G HN 0.108 nan 8.290 nan 0.000 0.515 283 I N 0.722 121.322 120.570 0.050 0.000 2.353 283 I HA 0.469 4.640 4.170 0.001 0.000 0.293 283 I C 0.945 177.089 176.117 0.046 0.000 0.992 283 I CA -0.698 60.622 61.300 0.034 0.000 1.268 283 I CB 1.144 39.168 38.000 0.039 0.000 1.387 283 I HN 0.149 nan 8.210 nan 0.000 0.478 284 R N 4.811 125.323 120.500 0.021 0.000 2.308 284 R HA 0.530 4.870 4.340 0.001 0.000 0.305 284 R C -1.034 175.316 176.300 0.084 0.000 1.053 284 R CA -0.728 55.406 56.100 0.056 0.000 0.957 284 R CB 0.816 31.129 30.300 0.023 0.000 1.022 284 R HN 0.308 nan 8.270 nan 0.000 0.461 285 V N 5.011 125.012 119.914 0.145 0.000 2.348 285 V HA 0.142 4.262 4.120 0.001 0.000 0.270 285 V C -0.439 175.755 176.094 0.168 0.000 1.037 285 V CA -0.624 61.794 62.300 0.197 0.000 0.872 285 V CB 0.946 32.974 31.823 0.341 0.000 1.002 285 V HN 0.465 nan 8.190 nan 0.000 0.464 286 L N 9.809 131.071 121.223 0.066 0.000 2.262 286 L HA 0.640 4.981 4.340 0.001 0.000 0.288 286 L C -2.366 174.384 176.870 -0.202 0.000 1.035 286 L CA -1.811 52.995 54.840 -0.058 0.000 0.820 286 L CB 1.457 43.465 42.059 -0.086 0.000 1.204 286 L HN 0.367 nan 8.230 nan 0.000 0.424 287 P HA 0.232 nan 4.420 nan 0.000 0.293 287 P C -1.314 175.768 177.300 -0.364 0.000 1.300 287 P CA -0.317 62.408 63.100 -0.625 0.000 0.792 287 P CB 1.165 32.134 31.700 -1.218 0.000 0.925 288 E N 3.570 123.497 120.200 -0.456 0.000 2.165 288 E HA 0.326 4.676 4.350 0.001 0.000 0.266 288 E C -1.419 174.950 176.600 -0.385 0.000 0.889 288 E CA -0.691 55.573 56.400 -0.227 0.000 0.756 288 E CB 0.615 30.197 29.700 -0.196 0.000 1.131 288 E HN 0.291 nan 8.360 nan 0.000 0.411 289 F N 3.339 123.338 119.950 0.081 0.000 2.389 289 F HA 0.156 4.683 4.527 0.001 0.000 0.327 289 F C 0.347 176.352 175.800 0.342 0.000 1.204 289 F CA -0.957 57.199 58.000 0.261 0.000 1.209 289 F CB 0.607 39.874 39.000 0.446 0.000 1.460 289 F HN 0.389 nan 8.300 nan 0.000 0.537 290 D N 2.817 123.376 120.400 0.265 0.000 2.662 290 D HA -0.019 4.621 4.640 0.001 0.000 0.233 290 D C -0.011 176.378 176.300 0.149 0.000 1.129 290 D CA 0.958 55.114 54.000 0.259 0.000 0.851 290 D CB 0.669 41.600 40.800 0.219 0.000 1.152 290 D HN 0.489 nan 8.370 nan 0.000 0.507 291 T N 1.759 116.435 114.554 0.202 0.000 2.923 291 T HA 0.472 4.823 4.350 0.001 0.000 0.311 291 T C -2.302 172.561 174.700 0.273 0.000 1.183 291 T CA -1.268 60.906 62.100 0.124 0.000 1.020 291 T CB 2.363 71.368 68.868 0.227 0.000 1.165 291 T HN 0.083 nan 8.240 nan 0.000 0.482 292 P HA 0.210 nan 4.420 nan 0.000 0.251 292 P C 0.862 178.061 177.300 -0.168 0.000 1.223 292 P CA 0.217 63.219 63.100 -0.163 0.000 0.796 292 P CB -0.014 31.356 31.700 -0.550 0.000 1.068 293 G N -0.608 108.155 108.800 -0.063 0.000 2.547 293 G HA2 0.175 4.135 3.960 0.001 0.000 0.291 293 G HA3 0.175 4.135 3.960 0.001 0.000 0.291 293 G C -0.241 174.676 174.900 0.028 0.000 1.211 293 G CA -0.260 44.787 45.100 -0.089 0.000 0.950 293 G HN 0.275 nan 8.290 nan 0.000 0.504 294 H N -1.264 117.749 119.070 -0.095 0.000 2.756 294 H HA -0.179 4.378 4.556 0.001 0.000 0.315 294 H C 0.834 176.132 175.328 -0.051 0.000 1.210 294 H CA 1.206 57.238 56.048 -0.026 0.000 1.150 294 H CB -1.910 27.897 29.762 0.074 0.000 1.463 294 H HN 0.682 nan 8.280 nan 0.000 0.427 295 T N -2.785 111.716 114.554 -0.088 0.000 3.339 295 T HA 0.365 4.715 4.350 0.001 0.000 0.292 295 T C 1.681 176.376 174.700 -0.008 0.000 1.012 295 T CA -0.394 61.558 62.100 -0.246 0.000 0.937 295 T CB 0.245 68.764 68.868 -0.582 0.000 1.164 295 T HN 0.194 nan 8.240 nan 0.000 0.509 296 L N 1.623 122.884 121.223 0.064 0.000 2.017 296 L HA -0.109 4.231 4.340 0.001 0.000 0.208 296 L C 3.064 179.995 176.870 0.101 0.000 1.073 296 L CA 1.901 56.775 54.840 0.056 0.000 0.745 296 L CB -0.634 41.449 42.059 0.040 0.000 0.894 296 L HN 0.542 nan 8.230 nan 0.000 0.432 297 S N -1.159 114.667 115.700 0.210 0.000 2.419 297 S HA -0.208 4.262 4.470 0.001 0.000 0.233 297 S C 1.565 176.262 174.600 0.161 0.000 1.016 297 S CA 0.810 59.125 58.200 0.192 0.000 0.974 297 S CB -0.762 62.601 63.200 0.273 0.000 0.786 297 S HN 0.416 nan 8.310 nan 0.000 0.492 298 W N 2.487 123.752 121.300 -0.059 0.000 2.335 298 W HA 0.194 4.855 4.660 0.000 0.000 0.311 298 W C 2.410 178.740 176.519 -0.314 0.000 1.213 298 W CA 0.536 57.740 57.345 -0.234 0.000 1.274 298 W CB -1.292 28.077 29.460 -0.152 0.000 1.148 298 W HN 0.436 nan 8.180 nan 0.000 0.498 299 G N 0.135 108.907 108.800 -0.046 0.000 3.375 299 G HA2 -0.027 3.933 3.960 0.001 0.000 0.247 299 G HA3 -0.027 3.933 3.960 0.001 0.000 0.247 299 G C 1.352 176.090 174.900 -0.270 0.000 1.343 299 G CA 0.023 44.981 45.100 -0.238 0.000 1.368 299 G HN 0.028 nan 8.290 nan 0.000 0.549 300 K N -0.308 119.969 120.400 -0.205 0.000 2.325 300 K HA 0.103 4.423 4.320 0.001 0.000 0.203 300 K C 2.169 178.666 176.600 -0.172 0.000 1.128 300 K CA 0.803 56.984 56.287 -0.176 0.000 0.931 300 K CB 0.506 32.930 32.500 -0.126 0.000 1.125 300 K HN 0.208 nan 8.250 nan 0.000 0.487 301 G N 0.650 109.333 108.800 -0.195 0.000 3.126 301 G HA2 -0.022 3.938 3.960 0.001 0.000 0.224 301 G HA3 -0.022 3.938 3.960 0.001 0.000 0.224 301 G C 0.077 174.867 174.900 -0.182 0.000 1.142 301 G CA 0.127 45.130 45.100 -0.163 0.000 0.759 301 G HN 0.080 nan 8.290 nan 0.000 0.550 302 Q N 1.151 120.793 119.800 -0.264 0.000 2.303 302 Q HA 0.398 4.738 4.340 0.001 0.000 0.267 302 Q C -0.469 175.333 176.000 -0.330 0.000 1.011 302 Q CA -0.511 55.081 55.803 -0.351 0.000 0.740 302 Q CB 0.938 29.302 28.738 -0.623 0.000 1.250 302 Q HN 0.125 nan 8.270 nan 0.000 0.458 303 K N 2.930 123.178 120.400 -0.253 0.000 2.237 303 K HA 0.172 4.493 4.320 0.001 0.000 0.270 303 K C -0.359 176.112 176.600 -0.216 0.000 1.015 303 K CA -0.150 56.012 56.287 -0.209 0.000 0.949 303 K CB 0.587 33.008 32.500 -0.132 0.000 0.976 303 K HN 0.732 nan 8.250 nan 0.000 0.472 304 D N 0.558 120.854 120.400 -0.175 0.000 3.067 304 D HA -0.214 4.426 4.640 0.001 0.000 0.216 304 D C 0.808 177.012 176.300 -0.160 0.000 1.162 304 D CA 0.835 54.761 54.000 -0.123 0.000 0.960 304 D CB -0.668 40.084 40.800 -0.079 0.000 1.129 304 D HN 0.428 nan 8.370 nan 0.000 0.408 305 L N 0.143 121.215 121.223 -0.252 0.000 2.068 305 L HA 0.083 4.423 4.340 0.001 0.000 0.204 305 L C 1.054 177.819 176.870 -0.174 0.000 1.076 305 L CA 1.311 55.978 54.840 -0.288 0.000 0.753 305 L CB -0.044 41.740 42.059 -0.458 0.000 0.910 305 L HN 0.101 nan 8.230 nan 0.000 0.439 306 L N -0.115 121.019 121.223 -0.148 0.000 2.466 306 L HA 0.213 4.553 4.340 0.001 0.000 0.257 306 L C 0.179 177.097 176.870 0.080 0.000 1.189 306 L CA -0.522 54.290 54.840 -0.045 0.000 0.813 306 L CB 0.502 42.518 42.059 -0.071 0.000 1.118 306 L HN 0.028 nan 8.230 nan 0.000 0.471 307 T N 1.287 115.944 114.554 0.173 0.000 2.728 307 T HA 0.247 4.597 4.350 0.001 0.000 0.296 307 T C -2.415 172.459 174.700 0.290 0.000 0.940 307 T CA -1.366 60.879 62.100 0.243 0.000 1.013 307 T CB 0.736 69.829 68.868 0.375 0.000 0.912 307 T HN 0.284 nan 8.240 nan 0.000 0.484 308 P HA 0.105 nan 4.420 nan 0.000 0.258 308 P C -0.624 176.742 177.300 0.111 0.000 1.187 308 P CA -0.280 62.912 63.100 0.153 0.000 0.767 308 P CB -0.172 31.632 31.700 0.174 0.000 0.770 309 c N 5.923 124.523 118.600 0.001 0.000 2.273 309 c HA 0.677 5.248 4.570 0.001 0.000 0.328 309 c C 0.072 174.172 174.090 0.016 0.000 1.275 309 c CA -0.208 56.125 56.329 0.008 0.000 1.704 309 c CB -1.054 41.441 42.510 -0.025 0.000 2.326 309 c HN 0.621 nan 8.230 nan 0.000 0.517 318 S N -0.727 114.865 115.700 -0.180 0.000 2.694 318 S HA 0.824 5.295 4.470 0.001 0.000 0.278 318 S C -0.090 174.244 174.600 -0.444 0.000 1.152 318 S CA -0.438 57.662 58.200 -0.168 0.000 1.010 318 S CB 1.206 64.378 63.200 -0.047 0.000 1.104 318 S HN 0.128 nan 8.310 nan 0.000 0.547 319 F N -1.412 118.529 119.950 -0.016 0.000 2.603 319 F HA 0.730 5.257 4.527 0.000 0.000 0.317 319 F C 0.931 176.702 175.800 -0.049 0.000 1.066 319 F CA -0.637 57.352 58.000 -0.018 0.000 0.941 319 F CB 1.880 40.861 39.000 -0.032 0.000 1.291 319 F HN 0.903 nan 8.300 nan 0.000 0.472 320 G N 0.167 109.046 108.800 0.132 0.000 3.019 320 G HA2 0.619 4.579 3.960 0.001 0.000 0.152 320 G HA3 0.619 4.579 3.960 0.001 0.000 0.152 320 G C -2.764 172.099 174.900 -0.062 0.000 1.320 320 G CA -1.352 43.731 45.100 -0.028 0.000 1.013 320 G HN 0.321 nan 8.290 nan 0.000 0.593 321 P HA 0.198 nan 4.420 nan 0.000 0.280 321 P C -0.167 177.133 177.300 0.001 0.000 1.278 321 P CA -0.336 62.666 63.100 -0.163 0.000 0.787 321 P CB 0.588 32.067 31.700 -0.369 0.000 1.163 322 I N 1.238 121.767 120.570 -0.068 0.000 2.533 322 I HA 0.006 4.176 4.170 0.001 0.000 0.284 322 I C 1.089 177.207 176.117 0.002 0.000 1.109 322 I CA -0.156 61.090 61.300 -0.089 0.000 1.412 322 I CB -0.166 37.716 38.000 -0.197 0.000 1.396 322 I HN 0.286 nan 8.210 nan 0.000 0.543 323 N N 10.009 128.712 118.700 0.006 0.000 2.417 323 N HA 0.013 4.753 4.740 0.001 0.000 0.272 323 N C -1.867 173.562 175.510 -0.135 0.000 1.304 323 N CA -1.165 51.869 53.050 -0.026 0.000 0.906 323 N CB 0.853 39.324 38.487 -0.027 0.000 1.135 323 N HN 0.296 nan 8.380 nan 0.000 0.483 324 P HA 0.114 nan 4.420 nan 0.000 0.261 324 P C 0.723 177.996 177.300 -0.044 0.000 1.352 324 P CA 0.287 63.376 63.100 -0.018 0.000 0.891 324 P CB 0.137 31.828 31.700 -0.014 0.000 1.383 325 T N -3.410 110.954 114.554 -0.316 0.000 3.037 325 T HA 0.178 4.529 4.350 0.001 0.000 0.252 325 T C 0.750 175.298 174.700 -0.254 0.000 1.073 325 T CA 0.058 61.739 62.100 -0.698 0.000 1.091 325 T CB -0.506 67.906 68.868 -0.760 0.000 0.935 325 T HN -0.062 nan 8.240 nan 0.000 0.488 326 L N 3.532 124.710 121.223 -0.075 0.000 2.305 326 L HA 0.411 4.752 4.340 0.001 0.000 0.281 326 L C 1.317 178.274 176.870 0.145 0.000 1.085 326 L CA -0.930 53.923 54.840 0.020 0.000 0.813 326 L CB 0.740 42.791 42.059 -0.013 0.000 1.157 326 L HN 0.180 nan 8.230 nan 0.000 0.436 327 N N 0.782 119.586 118.700 0.175 0.000 2.188 327 N HA -0.184 4.557 4.740 0.001 0.000 0.184 327 N C 1.462 177.095 175.510 0.205 0.000 1.018 327 N CA 1.575 54.772 53.050 0.245 0.000 0.858 327 N CB -1.005 37.590 38.487 0.178 0.000 0.989 327 N HN 0.760 nan 8.380 nan 0.000 0.426 328 T N -3.325 111.302 114.554 0.122 0.000 2.897 328 T HA -0.126 4.224 4.350 0.001 0.000 0.271 328 T C 1.715 176.462 174.700 0.078 0.000 1.084 328 T CA 1.739 63.896 62.100 0.095 0.000 1.123 328 T CB -1.037 67.857 68.868 0.042 0.000 0.865 328 T HN 0.204 nan 8.240 nan 0.000 0.496 329 T N 0.982 115.548 114.554 0.020 0.000 2.701 329 T HA 0.009 4.359 4.350 0.001 0.000 0.263 329 T C 1.434 176.136 174.700 0.004 0.000 1.040 329 T CA 1.421 63.468 62.100 -0.088 0.000 1.147 329 T CB -0.518 68.174 68.868 -0.294 0.000 0.865 329 T HN 0.572 nan 8.240 nan 0.000 0.426 330 Y N 1.651 122.040 120.300 0.149 0.000 2.439 330 Y HA -0.026 4.525 4.550 0.001 0.000 0.292 330 Y C 2.931 178.921 175.900 0.150 0.000 1.130 330 Y CA 0.760 58.937 58.100 0.128 0.000 1.254 330 Y CB -0.523 37.965 38.460 0.047 0.000 1.000 330 Y HN 0.274 nan 8.280 nan 0.000 0.554 331 S N -0.015 115.861 115.700 0.293 0.000 2.368 331 S HA -0.244 4.227 4.470 0.001 0.000 0.224 331 S C 1.962 176.724 174.600 0.269 0.000 1.029 331 S CA 0.935 59.280 58.200 0.241 0.000 0.988 331 S CB -1.130 62.196 63.200 0.209 0.000 0.838 331 S HN 0.446 nan 8.310 nan 0.000 0.462 332 F N 2.828 122.841 119.950 0.106 0.000 2.046 332 F HA 0.010 4.537 4.527 0.001 0.000 0.297 332 F C 1.990 177.859 175.800 0.114 0.000 1.123 332 F CA 1.692 59.710 58.000 0.030 0.000 1.199 332 F CB -0.576 38.307 39.000 -0.195 0.000 0.972 332 F HN 0.160 nan 8.300 nan 0.000 0.474 333 L N -0.174 121.130 121.223 0.134 0.000 2.127 333 L HA -0.240 4.100 4.340 0.001 0.000 0.211 333 L C 2.308 179.362 176.870 0.306 0.000 1.089 333 L CA 1.675 56.619 54.840 0.174 0.000 0.757 333 L CB -1.326 40.961 42.059 0.380 0.000 0.899 333 L HN 0.271 nan 8.230 nan 0.000 0.434 334 T N -0.857 113.842 114.554 0.241 0.000 2.643 334 T HA -0.176 4.174 4.350 0.001 0.000 0.264 334 T C 1.987 176.785 174.700 0.163 0.000 1.045 334 T CA 2.089 64.312 62.100 0.205 0.000 1.155 334 T CB -0.452 68.512 68.868 0.160 0.000 0.863 334 T HN 0.564 nan 8.240 nan 0.000 0.420 335 T N 0.771 115.415 114.554 0.150 0.000 2.788 335 T HA -0.101 4.250 4.350 0.001 0.000 0.268 335 T C 1.731 176.489 174.700 0.096 0.000 1.044 335 T CA 1.002 63.177 62.100 0.126 0.000 1.139 335 T CB -0.840 68.143 68.868 0.191 0.000 0.867 335 T HN 0.317 nan 8.240 nan 0.000 0.454 336 F N 1.555 121.440 119.950 -0.109 0.000 2.031 336 F HA 0.061 4.588 4.527 0.001 0.000 0.295 336 F C 1.866 177.486 175.800 -0.300 0.000 1.133 336 F CA 1.052 58.870 58.000 -0.303 0.000 1.188 336 F CB -0.547 37.974 39.000 -0.798 0.000 0.974 336 F HN 0.062 nan 8.300 nan 0.000 0.473 337 F N 0.886 120.840 119.950 0.007 0.000 2.333 337 F HA -0.152 4.375 4.527 0.001 0.000 0.300 337 F C 2.382 178.093 175.800 -0.149 0.000 1.083 337 F CA 1.247 59.180 58.000 -0.112 0.000 1.395 337 F CB -0.749 38.262 39.000 0.018 0.000 1.056 337 F HN -0.049 nan 8.300 nan 0.000 0.529 338 K N 1.077 121.507 120.400 0.051 0.000 2.057 338 K HA -0.233 4.088 4.320 0.001 0.000 0.207 338 K C 2.090 178.649 176.600 -0.068 0.000 1.049 338 K CA 1.656 57.944 56.287 0.001 0.000 0.931 338 K CB -0.362 32.143 32.500 0.008 0.000 0.714 338 K HN 0.427 nan 8.250 nan 0.000 0.440 339 E N 0.457 120.564 120.200 -0.156 0.000 2.031 339 E HA -0.164 4.187 4.350 0.001 0.000 0.193 339 E C 1.915 178.416 176.600 -0.164 0.000 0.994 339 E CA 1.203 57.493 56.400 -0.183 0.000 0.800 339 E CB -0.015 29.527 29.700 -0.264 0.000 0.752 339 E HN 0.180 nan 8.360 nan 0.000 0.447 340 I N 1.703 122.104 120.570 -0.282 0.000 2.423 340 I HA -0.202 3.968 4.170 0.001 0.000 0.254 340 I C 2.307 178.450 176.117 0.043 0.000 1.151 340 I CA 1.039 62.249 61.300 -0.150 0.000 1.421 340 I CB -1.468 36.292 38.000 -0.400 0.000 1.079 340 I HN 0.100 nan 8.210 nan 0.000 0.431 341 S N 1.165 116.865 115.700 -0.000 0.000 2.368 341 S HA -0.188 4.282 4.470 0.001 0.000 0.225 341 S C 1.823 176.423 174.600 -0.001 0.000 1.030 341 S CA 1.300 59.507 58.200 0.011 0.000 0.999 341 S CB -0.327 62.868 63.200 -0.007 0.000 0.844 341 S HN 0.562 nan 8.310 nan 0.000 0.459 342 E N 0.553 120.741 120.200 -0.021 0.000 2.170 342 E HA 0.022 4.372 4.350 0.001 0.000 0.191 342 E C 2.032 178.596 176.600 -0.060 0.000 0.981 342 E CA 0.597 56.974 56.400 -0.038 0.000 0.830 342 E CB -0.076 29.600 29.700 -0.041 0.000 0.775 342 E HN 0.306 nan 8.360 nan 0.000 0.470 343 V N 0.400 120.279 119.914 -0.059 0.000 2.407 343 V HA -0.091 4.029 4.120 0.001 0.000 0.245 343 V C 0.569 176.475 176.094 -0.315 0.000 1.041 343 V CA 1.054 63.253 62.300 -0.168 0.000 1.040 343 V CB -0.220 31.511 31.823 -0.154 0.000 0.671 343 V HN 0.087 nan 8.190 nan 0.000 0.455 344 F N 1.882 121.788 119.950 -0.074 0.000 2.334 344 F HA 0.397 4.924 4.527 0.000 0.000 0.367 344 F C -1.210 174.487 175.800 -0.171 0.000 1.115 344 F CA -2.219 55.725 58.000 -0.095 0.000 1.116 344 F CB 1.170 40.150 39.000 -0.033 0.000 1.230 344 F HN 0.018 nan 8.300 nan 0.000 0.484 345 P HA -0.104 nan 4.420 nan 0.000 0.229 345 P C 0.130 177.301 177.300 -0.215 0.000 1.160 345 P CA 0.607 63.474 63.100 -0.389 0.000 0.777 345 P CB 0.165 31.141 31.700 -1.207 0.000 0.814 346 D N -0.400 119.946 120.400 -0.090 0.000 2.368 346 D HA -0.001 4.639 4.640 0.001 0.000 0.240 346 D C 1.465 177.764 176.300 -0.003 0.000 1.169 346 D CA 0.017 54.021 54.000 0.006 0.000 0.906 346 D CB 0.701 41.552 40.800 0.084 0.000 1.187 346 D HN -0.076 nan 8.370 nan 0.000 0.435 347 Q N 0.688 120.484 119.800 -0.006 0.000 2.297 347 Q HA 0.024 4.364 4.340 0.001 0.000 0.204 347 Q C -0.311 175.425 176.000 -0.441 0.000 0.962 347 Q CA 0.680 56.349 55.803 -0.223 0.000 0.879 347 Q CB 0.192 28.753 28.738 -0.295 0.000 0.947 347 Q HN 0.444 nan 8.270 nan 0.000 0.462 348 F N -0.243 119.694 119.950 -0.023 0.000 2.508 348 F HA 0.475 5.003 4.527 0.000 0.000 0.325 348 F C -0.219 175.544 175.800 -0.062 0.000 1.090 348 F CA -0.922 57.049 58.000 -0.048 0.000 0.945 348 F CB 1.425 40.396 39.000 -0.048 0.000 1.156 348 F HN -0.212 nan 8.300 nan 0.000 0.463 349 I N 1.922 122.547 120.570 0.091 0.000 2.436 349 I HA 0.219 4.389 4.170 0.001 0.000 0.289 349 I C -0.832 175.292 176.117 0.012 0.000 1.010 349 I CA -0.676 60.647 61.300 0.038 0.000 1.098 349 I CB 1.831 39.849 38.000 0.030 0.000 1.266 349 I HN 0.596 nan 8.210 nan 0.000 0.434 350 H N 6.160 125.171 119.070 -0.098 0.000 2.668 350 H HA 0.340 4.897 4.556 0.001 0.000 0.303 350 H C 0.271 175.580 175.328 -0.032 0.000 1.074 350 H CA -0.085 55.860 56.048 -0.172 0.000 1.406 350 H CB 0.952 30.489 29.762 -0.375 0.000 1.442 350 H HN 0.534 nan 8.280 nan 0.000 0.482 351 L N 4.706 125.873 121.223 -0.093 0.000 2.667 351 L HA 0.258 4.598 4.340 0.001 0.000 0.232 351 L C 1.767 178.767 176.870 0.216 0.000 1.138 351 L CA 0.320 55.214 54.840 0.090 0.000 0.921 351 L CB -0.301 41.725 42.059 -0.055 0.000 1.180 351 L HN 1.054 nan 8.230 nan 0.000 0.487 352 G N 1.208 110.188 108.800 0.299 0.000 2.601 352 G HA2 -0.286 3.674 3.960 0.001 0.000 0.306 352 G HA3 -0.286 3.674 3.960 0.001 0.000 0.306 352 G C 0.898 176.125 174.900 0.545 0.000 1.172 352 G CA 0.205 45.632 45.100 0.544 0.000 0.966 352 G HN 0.860 nan 8.290 nan 0.000 0.542 353 G N -0.021 109.055 108.800 0.460 0.000 2.143 353 G HA2 -0.046 3.914 3.960 0.001 0.000 0.249 353 G HA3 -0.046 3.914 3.960 0.001 0.000 0.249 353 G C 0.259 175.401 174.900 0.404 0.000 0.981 353 G CA 1.468 46.802 45.100 0.389 0.000 0.665 353 G HN 1.918 nan 8.290 nan 0.000 0.528 354 D N -0.040 120.616 120.400 0.428 0.000 2.432 354 D HA 0.363 5.003 4.640 0.001 0.000 0.258 354 D C 0.561 176.976 176.300 0.191 0.000 1.146 354 D CA -0.257 53.914 54.000 0.285 0.000 1.015 354 D CB 0.275 41.021 40.800 -0.089 0.000 1.107 354 D HN 0.346 nan 8.370 nan 0.000 0.529 355 E N -1.018 119.269 120.200 0.145 0.000 2.122 355 E HA -0.161 4.190 4.350 0.001 0.000 0.198 355 E C -0.573 175.942 176.600 -0.141 0.000 1.352 355 E CA 0.027 56.437 56.400 0.016 0.000 0.705 355 E CB -1.070 28.650 29.700 0.032 0.000 1.084 355 E HN 0.253 nan 8.360 nan 0.000 0.337 356 V N 1.386 121.188 119.914 -0.187 0.000 2.389 356 V HA 0.083 4.204 4.120 0.001 0.000 0.264 356 V C 0.715 176.377 176.094 -0.720 0.000 1.049 356 V CA -0.045 62.040 62.300 -0.358 0.000 0.932 356 V CB 0.844 32.549 31.823 -0.197 0.000 1.011 356 V HN 0.280 nan 8.190 nan 0.000 0.475 357 E N 4.092 123.896 120.200 -0.660 0.000 2.046 357 E HA 0.307 4.657 4.350 0.001 0.000 0.279 357 E C -0.310 175.869 176.600 -0.702 0.000 0.989 357 E CA -0.618 55.377 56.400 -0.675 0.000 0.798 357 E CB 0.729 30.172 29.700 -0.430 0.000 1.086 357 E HN 0.447 nan 8.360 nan 0.000 0.399 358 F N 3.041 122.710 119.950 -0.468 0.000 2.365 358 F HA 0.004 4.531 4.527 0.001 0.000 0.300 358 F C 2.171 177.673 175.800 -0.497 0.000 1.090 358 F CA 0.439 58.115 58.000 -0.541 0.000 1.408 358 F CB -0.699 38.072 39.000 -0.381 0.000 1.060 358 F HN 0.458 nan 8.300 nan 0.000 0.534 359 K N 0.385 120.651 120.400 -0.224 0.000 2.117 359 K HA -0.292 4.029 4.320 0.001 0.000 0.215 359 K C 2.292 178.799 176.600 -0.154 0.000 1.053 359 K CA 2.173 58.352 56.287 -0.179 0.000 0.935 359 K CB -1.127 31.276 32.500 -0.162 0.000 0.719 359 K HN 0.368 nan 8.250 nan 0.000 0.460 360 c N -0.780 117.714 118.600 -0.177 0.000 2.462 360 c HA -0.069 4.501 4.570 0.001 0.000 0.278 360 c C 2.233 176.365 174.090 0.070 0.000 1.253 360 c CA 0.568 56.847 56.329 -0.083 0.000 1.713 360 c CB -1.391 41.042 42.510 -0.128 0.000 2.049 360 c HN 0.706 nan 8.230 nan 0.000 0.477 361 W N 1.135 122.401 121.300 -0.056 0.000 2.321 361 W HA -0.108 4.552 4.660 0.001 0.000 0.306 361 W C 2.510 179.069 176.519 0.067 0.000 1.217 361 W CA 1.495 58.859 57.345 0.031 0.000 1.257 361 W CB -1.437 28.094 29.460 0.119 0.000 1.145 361 W HN 0.497 nan 8.180 nan 0.000 0.509 362 E N 0.685 120.905 120.200 0.032 0.000 2.058 362 E HA -0.203 4.148 4.350 0.001 0.000 0.194 362 E C 2.091 178.787 176.600 0.161 0.000 0.997 362 E CA 2.349 58.825 56.400 0.127 0.000 0.801 362 E CB -0.395 29.227 29.700 -0.130 0.000 0.746 362 E HN 0.241 nan 8.360 nan 0.000 0.450 363 S N 0.460 116.206 115.700 0.077 0.000 2.500 363 S HA -0.097 4.373 4.470 0.001 0.000 0.239 363 S C 0.979 175.617 174.600 0.063 0.000 0.989 363 S CA 0.259 58.487 58.200 0.048 0.000 0.951 363 S CB -0.369 62.831 63.200 -0.001 0.000 0.759 363 S HN 0.180 nan 8.310 nan 0.000 0.523 364 N N 2.497 121.271 118.700 0.123 0.000 2.419 364 N HA 0.194 4.935 4.740 0.001 0.000 0.264 364 N C -1.834 173.747 175.510 0.118 0.000 1.031 364 N CA -1.808 51.315 53.050 0.121 0.000 0.951 364 N CB 1.800 40.385 38.487 0.162 0.000 1.101 364 N HN 0.051 nan 8.380 nan 0.000 0.488 365 P HA -0.110 nan 4.420 nan 0.000 0.215 365 P C 0.927 178.276 177.300 0.083 0.000 1.157 365 P CA 1.134 64.277 63.100 0.072 0.000 0.859 365 P CB 0.415 32.142 31.700 0.046 0.000 0.786 366 K N 0.118 120.568 120.400 0.083 0.000 2.063 366 K HA -0.085 4.235 4.320 0.001 0.000 0.208 366 K C 2.352 179.011 176.600 0.099 0.000 1.048 366 K CA 1.008 57.345 56.287 0.082 0.000 0.928 366 K CB -1.287 31.256 32.500 0.072 0.000 0.713 366 K HN 0.283 nan 8.250 nan 0.000 0.442 367 I N 1.263 121.896 120.570 0.105 0.000 2.208 367 I HA -0.338 3.833 4.170 0.001 0.000 0.245 367 I C 2.388 178.601 176.117 0.161 0.000 1.097 367 I CA 1.310 62.683 61.300 0.121 0.000 1.363 367 I CB -0.308 37.776 38.000 0.139 0.000 1.051 367 I HN 0.254 nan 8.210 nan 0.000 0.413 368 Q N 0.507 120.396 119.800 0.148 0.000 2.234 368 Q HA -0.254 4.086 4.340 0.001 0.000 0.206 368 Q C 1.626 177.663 176.000 0.061 0.000 0.980 368 Q CA 1.836 57.705 55.803 0.110 0.000 0.869 368 Q CB -0.132 28.670 28.738 0.106 0.000 0.912 368 Q HN 0.539 nan 8.270 nan 0.000 0.436 369 D N -0.222 120.224 120.400 0.076 0.000 2.117 369 D HA -0.139 4.501 4.640 0.001 0.000 0.198 369 D C 1.243 177.563 176.300 0.033 0.000 0.982 369 D CA 0.756 54.783 54.000 0.045 0.000 0.828 369 D CB -0.273 40.564 40.800 0.062 0.000 0.967 369 D HN 0.149 nan 8.370 nan 0.000 0.464 370 F N 1.174 121.083 119.950 -0.069 0.000 2.216 370 F HA -0.149 4.378 4.527 0.001 0.000 0.300 370 F C 2.074 177.749 175.800 -0.207 0.000 1.085 370 F CA 0.939 58.871 58.000 -0.113 0.000 1.326 370 F CB -0.057 38.910 39.000 -0.055 0.000 1.027 370 F HN -0.149 nan 8.300 nan 0.000 0.497 371 M N -0.135 119.432 119.600 -0.055 0.000 2.059 371 M HA -0.193 4.287 4.480 0.001 0.000 0.259 371 M C 2.236 178.339 176.300 -0.329 0.000 1.072 371 M CA 1.702 56.883 55.300 -0.198 0.000 1.117 371 M CB -1.538 30.983 32.600 -0.131 0.000 1.320 371 M HN 0.095 nan 8.290 nan 0.000 0.408 372 R N 0.453 120.823 120.500 -0.217 0.000 2.094 372 R HA -0.182 4.158 4.340 0.001 0.000 0.239 372 R C 2.198 178.322 176.300 -0.295 0.000 1.137 372 R CA 1.561 57.536 56.100 -0.209 0.000 0.943 372 R CB -0.528 29.696 30.300 -0.128 0.000 0.850 372 R HN 0.350 nan 8.270 nan 0.000 0.433 373 Q N 0.191 119.796 119.800 -0.326 0.000 2.508 373 Q HA -0.071 4.269 4.340 0.001 0.000 0.214 373 Q C 1.295 176.962 176.000 -0.555 0.000 0.979 373 Q CA 1.260 56.836 55.803 -0.377 0.000 0.911 373 Q CB 0.232 28.767 28.738 -0.339 0.000 0.969 373 Q HN 0.116 nan 8.270 nan 0.000 0.504 374 K N -2.268 117.692 120.400 -0.734 0.000 2.387 374 K HA 0.240 4.560 4.320 0.001 0.000 0.197 374 K C 0.487 176.605 176.600 -0.803 0.000 1.127 374 K CA 0.805 56.503 56.287 -0.982 0.000 0.950 374 K CB 0.830 32.314 32.500 -1.694 0.000 1.017 374 K HN 0.135 nan 8.250 nan 0.000 0.519 375 G N 2.388 110.820 108.800 -0.613 0.000 2.401 375 G HA2 -0.198 3.762 3.960 0.001 0.000 0.283 375 G HA3 -0.198 3.762 3.960 0.001 0.000 0.283 375 G C 0.025 174.787 174.900 -0.230 0.000 1.117 375 G CA -0.153 44.738 45.100 -0.348 0.000 1.051 375 G HN 0.143 nan 8.290 nan 0.000 0.510 376 F N 0.539 120.370 119.950 -0.198 0.000 2.695 376 F HA 0.415 4.942 4.527 0.000 0.000 0.303 376 F C 2.116 177.804 175.800 -0.187 0.000 1.091 376 F CA 0.229 58.115 58.000 -0.189 0.000 1.300 376 F CB -0.160 38.705 39.000 -0.224 0.000 1.071 376 F HN 0.980 nan 8.300 nan 0.000 0.578 377 G N 1.289 110.076 108.800 -0.022 0.000 2.591 377 G HA2 -0.399 3.562 3.960 0.001 0.000 0.298 377 G HA3 -0.399 3.562 3.960 0.001 0.000 0.298 377 G C 0.993 175.820 174.900 -0.122 0.000 1.195 377 G CA 1.014 46.079 45.100 -0.059 0.000 0.989 377 G HN 0.449 nan 8.290 nan 0.000 0.551 378 T N -2.034 112.452 114.554 -0.113 0.000 3.132 378 T HA 0.441 4.791 4.350 0.001 0.000 0.274 378 T C 0.257 174.838 174.700 -0.198 0.000 1.011 378 T CA 1.038 63.029 62.100 -0.181 0.000 0.899 378 T CB 0.550 69.438 68.868 0.034 0.000 1.089 378 T HN 0.641 nan 8.240 nan 0.000 0.543 379 D N 0.956 121.254 120.400 -0.169 0.000 2.359 379 D HA 0.236 4.876 4.640 0.001 0.000 0.250 379 D C 0.140 176.274 176.300 -0.276 0.000 1.264 379 D CA -0.633 53.294 54.000 -0.121 0.000 0.911 379 D CB -0.154 40.601 40.800 -0.074 0.000 1.056 379 D HN 0.273 nan 8.370 nan 0.000 0.499 380 F N 2.208 122.011 119.950 -0.244 0.000 2.780 380 F HA 0.099 4.627 4.527 0.001 0.000 0.299 380 F C 2.056 177.457 175.800 -0.665 0.000 1.146 380 F CA 0.196 57.920 58.000 -0.460 0.000 1.428 380 F CB 0.055 38.650 39.000 -0.674 0.000 1.115 380 F HN 0.325 nan 8.300 nan 0.000 0.583 381 K N 0.468 120.683 120.400 -0.308 0.000 2.147 381 K HA -0.168 4.152 4.320 0.001 0.000 0.205 381 K C 1.838 178.369 176.600 -0.115 0.000 1.049 381 K CA 1.223 57.449 56.287 -0.102 0.000 0.936 381 K CB -0.109 32.400 32.500 0.014 0.000 0.722 381 K HN 0.253 nan 8.250 nan 0.000 0.446 382 K N 0.561 120.785 120.400 -0.293 0.000 2.076 382 K HA -0.061 4.259 4.320 0.001 0.000 0.204 382 K C 2.034 178.215 176.600 -0.698 0.000 1.051 382 K CA 0.491 56.434 56.287 -0.574 0.000 0.949 382 K CB -0.102 31.854 32.500 -0.907 0.000 0.726 382 K HN -0.023 nan 8.250 nan 0.000 0.443 383 L N 2.106 123.005 121.223 -0.539 0.000 2.013 383 L HA -0.207 4.134 4.340 0.001 0.000 0.212 383 L C 2.161 179.117 176.870 0.143 0.000 1.073 383 L CA 1.922 56.717 54.840 -0.074 0.000 0.753 383 L CB -0.468 41.597 42.059 0.010 0.000 0.890 383 L HN 0.201 nan 8.230 nan 0.000 0.432 384 E N -0.697 119.631 120.200 0.214 0.000 2.110 384 E HA -0.179 4.172 4.350 0.001 0.000 0.193 384 E C 2.061 178.859 176.600 0.330 0.000 0.988 384 E CA 1.441 58.105 56.400 0.441 0.000 0.804 384 E CB 0.042 30.090 29.700 0.581 0.000 0.745 384 E HN 0.639 nan 8.360 nan 0.000 0.458 385 S N 0.249 116.053 115.700 0.173 0.000 2.383 385 S HA -0.116 4.354 4.470 0.001 0.000 0.227 385 S C 1.506 176.208 174.600 0.169 0.000 1.026 385 S CA 0.871 59.150 58.200 0.132 0.000 0.981 385 S CB -0.360 62.858 63.200 0.031 0.000 0.818 385 S HN 0.368 nan 8.310 nan 0.000 0.472 386 F N 1.405 121.380 119.950 0.041 0.000 2.206 386 F HA -0.039 4.489 4.527 0.000 0.000 0.298 386 F C 1.988 177.901 175.800 0.189 0.000 1.090 386 F CA 0.789 58.860 58.000 0.118 0.000 1.323 386 F CB -0.657 38.475 39.000 0.220 0.000 1.028 386 F HN 0.254 nan 8.300 nan 0.000 0.492 387 Y N 0.198 120.462 120.300 -0.060 0.000 2.181 387 Y HA -0.169 4.382 4.550 0.001 0.000 0.288 387 Y C 2.193 178.107 175.900 0.023 0.000 1.146 387 Y CA 1.975 60.057 58.100 -0.029 0.000 1.164 387 Y CB -0.579 37.969 38.460 0.147 0.000 0.982 387 Y HN 0.155 nan 8.280 nan 0.000 0.515 388 I N 0.579 121.200 120.570 0.085 0.000 2.286 388 I HA -0.249 3.921 4.170 0.001 0.000 0.245 388 I C 2.196 178.246 176.117 -0.112 0.000 1.104 388 I CA 1.553 62.850 61.300 -0.006 0.000 1.397 388 I CB -0.457 37.635 38.000 0.154 0.000 1.072 388 I HN 0.305 nan 8.210 nan 0.000 0.417 389 Q N -0.140 119.614 119.800 -0.078 0.000 2.224 389 Q HA -0.183 4.157 4.340 0.001 0.000 0.203 389 Q C 2.099 178.000 176.000 -0.164 0.000 0.970 389 Q CA 0.921 56.674 55.803 -0.083 0.000 0.865 389 Q CB -0.094 28.641 28.738 -0.005 0.000 0.922 389 Q HN 0.287 nan 8.270 nan 0.000 0.445 390 K N 0.204 120.424 120.400 -0.300 0.000 2.057 390 K HA -0.106 4.214 4.320 0.001 0.000 0.207 390 K C 1.971 178.420 176.600 -0.252 0.000 1.049 390 K CA 0.984 57.036 56.287 -0.391 0.000 0.931 390 K CB -0.162 31.884 32.500 -0.757 0.000 0.714 390 K HN 0.100 nan 8.250 nan 0.000 0.440 391 V N 1.514 121.261 119.914 -0.278 0.000 2.323 391 V HA -0.184 3.936 4.120 0.001 0.000 0.244 391 V C 2.446 178.392 176.094 -0.246 0.000 1.041 391 V CA 1.132 63.273 62.300 -0.265 0.000 1.025 391 V CB -0.359 31.245 31.823 -0.364 0.000 0.656 391 V HN 0.197 nan 8.190 nan 0.000 0.451 392 L N 1.036 122.137 121.223 -0.204 0.000 2.129 392 L HA -0.229 4.111 4.340 0.001 0.000 0.212 392 L C 2.464 179.249 176.870 -0.141 0.000 1.087 392 L CA 2.111 56.850 54.840 -0.167 0.000 0.757 392 L CB -0.648 41.339 42.059 -0.119 0.000 0.896 392 L HN 0.589 nan 8.230 nan 0.000 0.434 393 D N 0.139 120.466 120.400 -0.122 0.000 2.249 393 D HA -0.141 4.499 4.640 0.001 0.000 0.205 393 D C 2.077 178.325 176.300 -0.087 0.000 0.962 393 D CA 0.805 54.752 54.000 -0.089 0.000 0.860 393 D CB -0.102 40.657 40.800 -0.068 0.000 0.955 393 D HN 0.399 nan 8.370 nan 0.000 0.505 394 I N 0.818 121.326 120.570 -0.103 0.000 2.335 394 I HA -0.237 3.933 4.170 0.001 0.000 0.251 394 I C 2.166 178.222 176.117 -0.102 0.000 1.129 394 I CA 0.586 61.841 61.300 -0.076 0.000 1.402 394 I CB -0.155 37.814 38.000 -0.051 0.000 1.069 394 I HN 0.038 nan 8.210 nan 0.000 0.424 395 I N 0.965 121.435 120.570 -0.166 0.000 2.406 395 I HA -0.126 4.045 4.170 0.001 0.000 0.249 395 I C 2.836 178.883 176.117 -0.117 0.000 1.122 395 I CA 1.331 62.532 61.300 -0.166 0.000 1.431 395 I CB -1.708 36.161 38.000 -0.219 0.000 1.087 395 I HN 0.125 nan 8.210 nan 0.000 0.424 396 A N 0.732 123.492 122.820 -0.100 0.000 1.969 396 A HA -0.144 4.177 4.320 0.001 0.000 0.218 396 A C 2.429 179.980 177.584 -0.056 0.000 1.169 396 A CA 2.049 54.041 52.037 -0.074 0.000 0.635 396 A CB -1.015 17.950 19.000 -0.057 0.000 0.810 396 A HN 0.390 nan 8.150 nan 0.000 0.445 397 T N 1.077 115.601 114.554 -0.050 0.000 2.635 397 T HA -0.162 4.189 4.350 0.001 0.000 0.267 397 T C 1.481 176.163 174.700 -0.030 0.000 1.040 397 T CA 1.675 63.756 62.100 -0.031 0.000 1.156 397 T CB -0.578 68.278 68.868 -0.020 0.000 0.863 397 T HN 0.721 nan 8.240 nan 0.000 0.430 398 I N -0.763 119.785 120.570 -0.037 0.000 3.780 398 I HA 0.297 4.468 4.170 0.001 0.000 0.312 398 I C -0.316 175.770 176.117 -0.052 0.000 1.377 398 I CA -0.320 60.960 61.300 -0.033 0.000 1.224 398 I CB -0.729 37.259 38.000 -0.020 0.000 1.110 398 I HN 0.019 nan 8.210 nan 0.000 0.418 399 N N 2.001 120.665 118.700 -0.060 0.000 2.708 399 N HA -0.176 4.565 4.740 0.001 0.000 0.249 399 N C -0.596 174.842 175.510 -0.119 0.000 1.097 399 N CA 1.117 54.121 53.050 -0.075 0.000 0.710 399 N CB -0.740 37.715 38.487 -0.054 0.000 1.032 399 N HN 0.606 nan 8.380 nan 0.000 0.551 400 K N -0.131 120.183 120.400 -0.143 0.000 2.259 400 K HA 0.608 4.928 4.320 0.001 0.000 0.252 400 K C 0.980 177.412 176.600 -0.280 0.000 0.936 400 K CA -0.450 55.705 56.287 -0.220 0.000 0.810 400 K CB 1.738 34.141 32.500 -0.161 0.000 1.143 400 K HN 0.129 nan 8.250 nan 0.000 0.427 401 G N 0.461 108.946 108.800 -0.526 0.000 2.621 401 G HA2 0.271 4.231 3.960 0.001 0.000 0.271 401 G HA3 0.271 4.231 3.960 0.001 0.000 0.271 401 G C -0.643 174.205 174.900 -0.088 0.000 1.236 401 G CA -0.197 44.624 45.100 -0.464 0.000 0.958 401 G HN 0.380 nan 8.290 nan 0.000 0.512 402 S N -1.021 114.778 115.700 0.164 0.000 2.538 402 S HA 0.568 5.038 4.470 0.001 0.000 0.288 402 S C -0.581 174.032 174.600 0.021 0.000 1.108 402 S CA -0.347 57.888 58.200 0.060 0.000 0.971 402 S CB 1.262 64.409 63.200 -0.089 0.000 1.041 402 S HN 0.445 nan 8.310 nan 0.000 0.483 403 I N 2.480 122.957 120.570 -0.154 0.000 2.474 403 I HA 0.685 4.855 4.170 0.001 0.000 0.294 403 I C -0.771 174.878 176.117 -0.780 0.000 1.005 403 I CA -0.905 60.163 61.300 -0.386 0.000 1.113 403 I CB 1.927 39.727 38.000 -0.334 0.000 1.289 403 I HN 0.287 nan 8.210 nan 0.000 0.436 404 V N 5.855 125.373 119.914 -0.661 0.000 2.888 404 V HA 0.433 4.553 4.120 0.001 0.000 0.309 404 V C -1.153 174.801 176.094 -0.233 0.000 1.114 404 V CA -0.499 61.471 62.300 -0.550 0.000 0.940 404 V CB 2.232 33.928 31.823 -0.212 0.000 1.021 404 V HN 0.719 nan 8.190 nan 0.000 0.426 405 W N 3.184 124.571 121.300 0.145 0.000 2.079 405 W HA 0.207 4.867 4.660 0.001 0.000 0.354 405 W C 1.702 178.412 176.519 0.319 0.000 1.302 405 W CA 0.512 58.065 57.345 0.347 0.000 1.281 405 W CB 0.510 30.207 29.460 0.394 0.000 1.165 405 W HN 0.779 nan 8.180 nan 0.000 0.603 406 Q N -0.230 120.001 119.800 0.717 0.000 2.123 406 Q HA -0.191 4.149 4.340 0.001 0.000 0.199 406 Q C 1.394 177.632 176.000 0.396 0.000 0.966 406 Q CA 1.709 57.773 55.803 0.436 0.000 0.845 406 Q CB -0.323 28.578 28.738 0.273 0.000 0.907 406 Q HN 0.527 nan 8.270 nan 0.000 0.439 407 E N 1.206 121.652 120.200 0.409 0.000 2.114 407 E HA -0.206 4.144 4.350 0.001 0.000 0.199 407 E C 2.047 178.825 176.600 0.296 0.000 1.008 407 E CA 1.852 58.440 56.400 0.313 0.000 0.810 407 E CB -0.385 29.503 29.700 0.314 0.000 0.739 407 E HN 0.234 nan 8.360 nan 0.000 0.456 408 V N 0.504 120.612 119.914 0.324 0.000 2.287 408 V HA -0.272 3.848 4.120 0.001 0.000 0.248 408 V C 1.965 178.206 176.094 0.244 0.000 1.053 408 V CA 2.002 64.464 62.300 0.270 0.000 1.027 408 V CB -0.544 31.424 31.823 0.242 0.000 0.646 408 V HN 0.266 nan 8.190 nan 0.000 0.447 409 F N 1.645 121.670 119.950 0.126 0.000 2.134 409 F HA -0.176 4.351 4.527 0.000 0.000 0.299 409 F C 2.072 177.941 175.800 0.116 0.000 1.097 409 F CA 1.962 60.025 58.000 0.105 0.000 1.264 409 F CB -0.305 38.759 39.000 0.106 0.000 1.001 409 F HN 0.239 nan 8.300 nan 0.000 0.479 410 D N -0.294 120.210 120.400 0.174 0.000 2.347 410 D HA -0.081 4.559 4.640 0.001 0.000 0.215 410 D C 0.908 177.236 176.300 0.046 0.000 0.976 410 D CA 0.779 54.822 54.000 0.072 0.000 0.884 410 D CB -0.399 40.493 40.800 0.153 0.000 0.915 410 D HN 0.366 nan 8.370 nan 0.000 0.526 411 D N 0.728 121.178 120.400 0.084 0.000 2.358 411 D HA 0.002 4.643 4.640 0.001 0.000 0.224 411 D C -0.060 176.253 176.300 0.021 0.000 1.123 411 D CA -0.023 54.033 54.000 0.093 0.000 0.833 411 D CB 0.163 41.074 40.800 0.185 0.000 0.946 411 D HN -0.148 nan 8.370 nan 0.000 0.505 412 K N -0.415 119.950 120.400 -0.057 0.000 3.393 412 K HA -0.153 4.168 4.320 0.001 0.000 0.272 412 K C -0.225 176.351 176.600 -0.040 0.000 1.004 412 K CA 0.397 56.627 56.287 -0.096 0.000 0.764 412 K CB -2.478 29.980 32.500 -0.071 0.000 1.373 412 K HN 0.260 nan 8.250 nan 0.000 0.458 413 A N 0.729 123.539 122.820 -0.017 0.000 2.311 413 A HA 0.642 4.962 4.320 0.001 0.000 0.334 413 A C 0.047 177.658 177.584 0.045 0.000 1.139 413 A CA -0.683 51.372 52.037 0.030 0.000 0.830 413 A CB 1.073 20.112 19.000 0.064 0.000 1.234 413 A HN 0.197 nan 8.150 nan 0.000 0.483 414 K N 0.658 121.092 120.400 0.057 0.000 2.322 414 K HA 0.560 4.880 4.320 0.001 0.000 0.283 414 K C -1.162 175.465 176.600 0.044 0.000 1.042 414 K CA 0.365 56.700 56.287 0.079 0.000 0.958 414 K CB -0.035 32.511 32.500 0.077 0.000 0.984 414 K HN 0.530 nan 8.250 nan 0.000 0.473 415 L N 2.978 124.230 121.223 0.048 0.000 2.362 415 L HA 0.607 4.948 4.340 0.001 0.000 0.271 415 L C -0.077 176.788 176.870 -0.009 0.000 1.002 415 L CA -1.600 53.164 54.840 -0.127 0.000 0.818 415 L CB 1.991 43.699 42.059 -0.586 0.000 1.298 415 L HN 0.694 nan 8.230 nan 0.000 0.420 416 A N 3.065 125.861 122.820 -0.040 0.000 2.531 416 A HA 0.285 4.606 4.320 0.001 0.000 0.236 416 A C -2.019 175.675 177.584 0.183 0.000 1.062 416 A CA -0.765 51.304 52.037 0.053 0.000 0.760 416 A CB -0.565 18.441 19.000 0.008 0.000 0.995 416 A HN 0.518 nan 8.150 nan 0.000 0.501 417 P HA 0.157 nan 4.420 nan 0.000 0.244 417 P C 0.624 178.069 177.300 0.242 0.000 1.723 417 P CA 1.225 64.518 63.100 0.322 0.000 1.110 417 P CB -0.277 31.533 31.700 0.183 0.000 1.972 418 G N 0.263 109.222 108.800 0.265 0.000 4.248 418 G HA2 -0.092 3.869 3.960 0.001 0.000 0.218 418 G HA3 -0.092 3.869 3.960 0.001 0.000 0.218 418 G C 0.091 175.086 174.900 0.159 0.000 0.790 418 G CA -0.264 44.956 45.100 0.200 0.000 0.844 418 G HN 0.319 nan 8.290 nan 0.000 0.588 419 T N 3.692 118.261 114.554 0.025 0.000 2.853 419 T HA 0.402 4.752 4.350 0.001 0.000 0.298 419 T C 0.727 175.345 174.700 -0.137 0.000 0.978 419 T CA 0.333 62.370 62.100 -0.105 0.000 1.152 419 T CB 0.684 69.373 68.868 -0.298 0.000 0.914 419 T HN 0.134 nan 8.240 nan 0.000 0.539 420 I N 3.900 124.382 120.570 -0.147 0.000 2.472 420 I HA 0.285 4.456 4.170 0.001 0.000 0.290 420 I C 0.206 176.184 176.117 -0.233 0.000 1.016 420 I CA -0.605 60.563 61.300 -0.220 0.000 1.348 420 I CB 1.042 38.815 38.000 -0.379 0.000 1.417 420 I HN 0.260 nan 8.210 nan 0.000 0.521 421 V N 5.455 125.249 119.914 -0.200 0.000 2.417 421 V HA 0.291 4.411 4.120 0.001 0.000 0.291 421 V C 0.131 176.171 176.094 -0.090 0.000 1.024 421 V CA -0.727 61.480 62.300 -0.156 0.000 0.861 421 V CB 1.728 33.424 31.823 -0.211 0.000 0.985 421 V HN 0.715 nan 8.190 nan 0.000 0.436 422 E N 3.545 123.761 120.200 0.026 0.000 2.109 422 E HA 0.513 4.863 4.350 0.001 0.000 0.278 422 E C -1.038 175.845 176.600 0.472 0.000 0.954 422 E CA -0.439 56.084 56.400 0.206 0.000 0.779 422 E CB 1.596 31.421 29.700 0.207 0.000 1.093 422 E HN 0.566 nan 8.360 nan 0.000 0.401 423 V N 5.784 125.884 119.914 0.311 0.000 2.567 423 V HA 0.240 4.360 4.120 0.001 0.000 0.289 423 V C 0.602 176.909 176.094 0.355 0.000 1.049 423 V CA -0.329 62.128 62.300 0.263 0.000 0.969 423 V CB 0.835 32.694 31.823 0.060 0.000 0.995 423 V HN 0.877 nan 8.190 nan 0.000 0.471 424 W N 1.589 122.946 121.300 0.095 0.000 1.807 424 W HA 0.431 5.091 4.660 0.000 0.000 0.251 424 W C -0.180 176.197 176.519 -0.236 0.000 0.848 424 W CA -0.681 56.657 57.345 -0.011 0.000 1.157 424 W CB 0.035 29.538 29.460 0.072 0.000 0.992 424 W HN 0.382 nan 8.180 nan 0.000 0.506 425 K N 1.725 121.755 120.400 -0.616 0.000 2.095 425 K HA 0.158 4.479 4.320 0.001 0.000 0.252 425 K C 0.485 176.943 176.600 -0.237 0.000 0.977 425 K CA -0.576 55.346 56.287 -0.609 0.000 0.900 425 K CB 1.873 33.914 32.500 -0.764 0.000 1.060 425 K HN -0.354 nan 8.250 nan 0.000 0.449 426 D N 0.600 120.898 120.400 -0.169 0.000 2.106 426 D HA -0.100 4.540 4.640 0.001 0.000 0.203 426 D C 0.178 176.489 176.300 0.017 0.000 0.977 426 D CA 1.050 55.056 54.000 0.011 0.000 0.844 426 D CB -0.322 40.452 40.800 -0.044 0.000 1.002 426 D HN 0.539 nan 8.370 nan 0.000 0.461 427 S N 0.814 116.472 115.700 -0.069 0.000 2.808 427 S HA 0.265 4.735 4.470 0.001 0.000 0.342 427 S C 0.722 175.277 174.600 -0.075 0.000 1.154 427 S CA 0.168 58.322 58.200 -0.075 0.000 1.476 427 S CB -0.451 62.699 63.200 -0.083 0.000 1.290 427 S HN 0.469 nan 8.310 nan 0.000 0.582 428 A N 1.746 124.502 122.820 -0.106 0.000 2.734 428 A HA -0.205 4.116 4.320 0.001 0.000 0.296 428 A C 0.565 178.083 177.584 -0.109 0.000 1.474 428 A CA 0.872 52.829 52.037 -0.134 0.000 0.735 428 A CB -2.862 16.089 19.000 -0.080 0.000 1.062 428 A HN 1.743 nan 8.150 nan 0.000 0.463 429 Y N -1.627 118.609 120.300 -0.107 0.000 2.314 429 Y HA 0.196 4.746 4.550 0.000 0.000 0.293 429 Y C -0.591 175.233 175.900 -0.127 0.000 1.129 429 Y CA 0.699 58.725 58.100 -0.124 0.000 1.201 429 Y CB -1.567 36.805 38.460 -0.147 0.000 0.999 429 Y HN 0.376 nan 8.280 nan 0.000 0.541 430 P HA -0.073 nan 4.420 nan 0.000 0.222 430 P C 1.002 178.264 177.300 -0.064 0.000 1.147 430 P CA 1.596 64.576 63.100 -0.201 0.000 0.790 430 P CB 0.151 31.711 31.700 -0.234 0.000 0.780 431 E N -0.719 119.443 120.200 -0.063 0.000 2.230 431 E HA -0.091 4.260 4.350 0.001 0.000 0.192 431 E C 1.911 178.523 176.600 0.021 0.000 0.987 431 E CA 0.682 57.085 56.400 0.006 0.000 0.841 431 E CB -0.609 29.087 29.700 -0.007 0.000 0.783 431 E HN 0.241 nan 8.360 nan 0.000 0.481 432 E N 0.300 120.501 120.200 0.001 0.000 2.047 432 E HA -0.087 4.263 4.350 0.001 0.000 0.191 432 E C 2.153 178.715 176.600 -0.064 0.000 0.987 432 E CA 0.609 57.020 56.400 0.018 0.000 0.799 432 E CB -0.196 29.523 29.700 0.032 0.000 0.752 432 E HN 0.285 nan 8.360 nan 0.000 0.449 433 L N 0.926 122.027 121.223 -0.203 0.000 2.191 433 L HA -0.172 4.168 4.340 0.001 0.000 0.212 433 L C 2.472 179.129 176.870 -0.356 0.000 1.103 433 L CA 0.796 55.339 54.840 -0.495 0.000 0.769 433 L CB -0.267 41.076 42.059 -1.194 0.000 0.908 433 L HN 0.010 nan 8.230 nan 0.000 0.438 434 S N -0.480 115.183 115.700 -0.062 0.000 2.357 434 S HA -0.111 4.360 4.470 0.001 0.000 0.221 434 S C 2.053 176.759 174.600 0.177 0.000 1.031 434 S CA 0.940 59.294 58.200 0.256 0.000 0.982 434 S CB -0.149 63.205 63.200 0.255 0.000 0.853 434 S HN 0.358 nan 8.310 nan 0.000 0.458 435 R N 0.569 121.156 120.500 0.144 0.000 2.073 435 R HA -0.049 4.291 4.340 0.001 0.000 0.234 435 R C 2.277 178.723 176.300 0.243 0.000 1.134 435 R CA 1.324 57.554 56.100 0.217 0.000 0.952 435 R CB -0.727 29.752 30.300 0.298 0.000 0.850 435 R HN 0.226 nan 8.270 nan 0.000 0.433 436 V N 0.874 120.820 119.914 0.053 0.000 2.295 436 V HA -0.265 3.856 4.120 0.001 0.000 0.246 436 V C 2.506 178.608 176.094 0.014 0.000 1.049 436 V CA 2.400 64.585 62.300 -0.192 0.000 1.024 436 V CB -0.809 30.758 31.823 -0.427 0.000 0.648 436 V HN 0.587 nan 8.190 nan 0.000 0.447 437 T N -1.283 113.317 114.554 0.076 0.000 2.951 437 T HA -0.019 4.331 4.350 0.001 0.000 0.268 437 T C 1.891 176.654 174.700 0.106 0.000 1.073 437 T CA 1.176 63.355 62.100 0.132 0.000 1.134 437 T CB -0.355 68.674 68.868 0.268 0.000 0.884 437 T HN 0.453 nan 8.240 nan 0.000 0.479 438 A N 1.831 124.726 122.820 0.125 0.000 1.930 438 A HA 0.028 4.348 4.320 0.001 0.000 0.217 438 A C 2.548 180.167 177.584 0.060 0.000 1.175 438 A CA 1.607 53.702 52.037 0.097 0.000 0.627 438 A CB -0.859 18.212 19.000 0.118 0.000 0.815 438 A HN 0.523 nan 8.150 nan 0.000 0.443 439 S N -1.449 114.306 115.700 0.092 0.000 2.561 439 S HA 0.314 4.784 4.470 0.001 0.000 0.225 439 S C 1.436 175.862 174.600 -0.290 0.000 0.977 439 S CA 0.840 59.048 58.200 0.013 0.000 0.926 439 S CB -0.102 63.287 63.200 0.315 0.000 0.769 439 S HN 1.631 nan 8.310 nan 0.000 0.533 440 G N 0.947 109.644 108.800 -0.172 0.000 2.143 440 G HA2 -0.251 3.709 3.960 0.001 0.000 0.248 440 G HA3 -0.251 3.709 3.960 0.001 0.000 0.248 440 G C -0.122 174.639 174.900 -0.231 0.000 0.991 440 G CA -0.258 44.721 45.100 -0.202 0.000 0.689 440 G HN 0.398 nan 8.290 nan 0.000 0.522 441 F N 0.997 120.973 119.950 0.043 0.000 2.385 441 F HA 0.552 5.079 4.527 0.001 0.000 0.336 441 F C -1.496 174.286 175.800 -0.030 0.000 1.100 441 F CA -2.821 55.181 58.000 0.004 0.000 1.116 441 F CB 1.079 40.067 39.000 -0.020 0.000 1.166 441 F HN -0.160 nan 8.300 nan 0.000 0.511 442 P HA 0.222 nan 4.420 nan 0.000 0.272 442 P C -1.006 176.262 177.300 -0.053 0.000 1.223 442 P CA -0.109 63.017 63.100 0.043 0.000 0.784 442 P CB 1.163 32.866 31.700 0.004 0.000 0.923 443 V N 3.446 123.282 119.914 -0.130 0.000 2.971 443 V HA 0.574 4.694 4.120 0.001 0.000 0.309 443 V C -1.196 174.673 176.094 -0.375 0.000 1.130 443 V CA -0.814 61.369 62.300 -0.194 0.000 0.964 443 V CB 1.841 33.603 31.823 -0.100 0.000 1.029 443 V HN 0.305 nan 8.190 nan 0.000 0.427 444 I N 5.352 125.731 120.570 -0.318 0.000 2.582 444 I HA 0.504 4.674 4.170 0.001 0.000 0.292 444 I C -1.267 174.789 176.117 -0.102 0.000 1.066 444 I CA -0.762 60.330 61.300 -0.347 0.000 1.053 444 I CB 2.027 39.809 38.000 -0.363 0.000 1.241 444 I HN 0.439 nan 8.210 nan 0.000 0.421 445 L N 5.002 126.209 121.223 -0.026 0.000 2.313 445 L HA 0.492 4.832 4.340 0.001 0.000 0.283 445 L C 0.604 177.674 176.870 0.333 0.000 1.013 445 L CA 0.494 55.426 54.840 0.154 0.000 0.816 445 L CB 1.724 43.913 42.059 0.217 0.000 1.236 445 L HN 0.717 nan 8.230 nan 0.000 0.419 446 S N 2.339 118.230 115.700 0.318 0.000 2.787 446 S HA 0.253 4.723 4.470 0.001 0.000 0.255 446 S C 1.438 176.238 174.600 0.333 0.000 1.051 446 S CA 0.222 58.717 58.200 0.492 0.000 1.124 446 S CB 0.205 63.772 63.200 0.611 0.000 1.104 446 S HN 0.688 nan 8.310 nan 0.000 0.623 447 A N 3.724 126.497 122.820 -0.078 0.000 1.869 447 A HA 0.022 4.343 4.320 0.001 0.000 0.218 447 A C 0.101 177.434 177.584 -0.419 0.000 1.203 447 A CA 2.063 53.858 52.037 -0.404 0.000 0.638 447 A CB -1.761 16.713 19.000 -0.877 0.000 0.831 447 A HN 0.633 nan 8.150 nan 0.000 0.450 448 P HA 0.018 nan 4.420 nan 0.000 0.255 448 P C -0.077 177.167 177.300 -0.092 0.000 1.248 448 P CA 0.334 63.199 63.100 -0.392 0.000 0.807 448 P CB 0.055 31.384 31.700 -0.617 0.000 1.150 449 W N -0.289 121.160 121.300 0.247 0.000 2.410 449 W HA 0.263 4.923 4.660 0.000 0.000 0.400 449 W C -0.426 176.228 176.519 0.225 0.000 0.777 449 W CA -0.662 56.779 57.345 0.161 0.000 2.632 449 W CB -0.558 28.940 29.460 0.063 0.000 1.504 449 W HN -0.098 nan 8.180 nan 0.000 0.757 450 Y N 1.696 122.152 120.300 0.260 0.000 2.573 450 Y HA 0.043 4.593 4.550 0.000 0.000 0.346 450 Y C 1.600 177.618 175.900 0.196 0.000 1.198 450 Y CA -0.111 58.127 58.100 0.230 0.000 1.627 450 Y CB -0.225 38.372 38.460 0.229 0.000 1.457 450 Y HN -0.056 nan 8.280 nan 0.000 0.483 451 L N 1.446 122.742 121.223 0.123 0.000 2.141 451 L HA -0.190 4.150 4.340 0.001 0.000 0.209 451 L C 2.117 179.054 176.870 0.112 0.000 1.094 451 L CA 1.413 56.283 54.840 0.050 0.000 0.763 451 L CB -0.327 41.642 42.059 -0.150 0.000 0.908 451 L HN 0.543 nan 8.230 nan 0.000 0.437 452 D N 1.096 121.554 120.400 0.097 0.000 2.149 452 D HA -0.228 4.413 4.640 0.001 0.000 0.198 452 D C 1.210 177.619 176.300 0.182 0.000 0.990 452 D CA 0.747 54.825 54.000 0.129 0.000 0.839 452 D CB -0.519 40.376 40.800 0.159 0.000 0.948 452 D HN 0.262 nan 8.370 nan 0.000 0.460 453 L N 2.389 123.753 121.223 0.236 0.000 2.652 453 L HA 0.106 4.447 4.340 0.001 0.000 0.284 453 L C 0.938 177.931 176.870 0.205 0.000 1.204 453 L CA -0.440 54.533 54.840 0.222 0.000 1.105 453 L CB -0.552 41.666 42.059 0.264 0.000 1.393 453 L HN 0.152 nan 8.230 nan 0.000 0.452 454 I N 0.082 120.741 120.570 0.148 0.000 3.378 454 I HA 0.542 4.712 4.170 0.001 0.000 0.284 454 I C 0.167 176.358 176.117 0.123 0.000 1.157 454 I CA -0.267 61.116 61.300 0.138 0.000 1.193 454 I CB 1.047 39.105 38.000 0.097 0.000 1.461 454 I HN 0.500 nan 8.210 nan 0.000 0.674 455 S N 0.565 116.337 115.700 0.121 0.000 2.581 455 S HA 0.165 4.635 4.470 0.001 0.000 0.306 455 S C -0.975 173.708 174.600 0.138 0.000 1.080 455 S CA -0.804 57.468 58.200 0.118 0.000 0.925 455 S CB -0.352 62.902 63.200 0.089 0.000 1.128 455 S HN 0.794 nan 8.310 nan 0.000 0.451 456 Y N 3.534 123.862 120.300 0.046 0.000 2.805 456 Y HA 0.370 4.921 4.550 0.001 0.000 0.331 456 Y C 0.945 176.885 175.900 0.066 0.000 1.241 456 Y CA 2.471 60.603 58.100 0.054 0.000 1.546 456 Y CB -0.389 38.096 38.460 0.041 0.000 1.248 456 Y HN 1.763 nan 8.280 nan 0.000 0.559 457 G N 4.608 113.107 108.800 -0.503 0.000 2.610 457 G HA2 -0.210 3.750 3.960 0.001 0.000 0.304 457 G HA3 -0.210 3.750 3.960 0.001 0.000 0.304 457 G C -0.820 174.042 174.900 -0.063 0.000 1.309 457 G CA -0.520 44.365 45.100 -0.359 0.000 0.906 457 G HN 0.758 nan 8.290 nan 0.000 0.521 458 Q N 0.941 120.744 119.800 0.006 0.000 2.912 458 Q HA 0.091 4.431 4.340 0.001 0.000 0.231 458 Q C 1.181 177.118 176.000 -0.105 0.000 1.304 458 Q CA 0.650 56.501 55.803 0.079 0.000 0.894 458 Q CB -0.119 28.638 28.738 0.032 0.000 1.757 458 Q HN 0.615 nan 8.270 nan 0.000 0.521 459 D N 0.108 120.509 120.400 0.002 0.000 2.363 459 D HA -0.165 4.475 4.640 0.001 0.000 0.226 459 D C 1.281 177.484 176.300 -0.161 0.000 1.020 459 D CA 0.016 53.935 54.000 -0.135 0.000 0.892 459 D CB -0.242 40.498 40.800 -0.102 0.000 0.900 459 D HN 0.685 nan 8.370 nan 0.000 0.531 460 W N 1.431 122.797 121.300 0.111 0.000 2.525 460 W HA 0.025 4.685 4.660 0.000 0.000 0.259 460 W C 1.331 178.019 176.519 0.282 0.000 1.253 460 W CA -0.095 57.440 57.345 0.316 0.000 1.262 460 W CB -0.652 28.970 29.460 0.269 0.000 1.122 460 W HN -0.053 nan 8.180 nan 0.000 0.607 461 R N 1.280 121.359 120.500 -0.701 0.000 2.066 461 R HA -0.123 4.217 4.340 0.001 0.000 0.232 461 R C 2.346 178.554 176.300 -0.153 0.000 1.131 461 R CA 1.792 57.522 56.100 -0.617 0.000 0.955 461 R CB -0.584 29.296 30.300 -0.701 0.000 0.851 461 R HN 0.061 nan 8.270 nan 0.000 0.432 462 K N -0.147 120.115 120.400 -0.230 0.000 2.281 462 K HA -0.189 4.132 4.320 0.001 0.000 0.203 462 K C 1.288 177.885 176.600 -0.006 0.000 1.046 462 K CA 1.393 57.568 56.287 -0.187 0.000 0.938 462 K CB 0.074 32.372 32.500 -0.338 0.000 0.737 462 K HN 0.145 nan 8.250 nan 0.000 0.458 463 Y N -1.468 119.034 120.300 0.337 0.000 2.230 463 Y HA -0.075 4.475 4.550 0.000 0.000 0.294 463 Y C 2.009 178.308 175.900 0.665 0.000 1.120 463 Y CA 0.566 59.023 58.100 0.595 0.000 1.129 463 Y CB -1.024 37.821 38.460 0.643 0.000 1.040 463 Y HN 0.053 nan 8.280 nan 0.000 0.519 464 Y N 1.242 121.901 120.300 0.599 0.000 2.333 464 Y HA -0.143 4.407 4.550 0.000 0.000 0.290 464 Y C 2.063 178.174 175.900 0.352 0.000 1.144 464 Y CA 1.464 59.865 58.100 0.503 0.000 1.228 464 Y CB -0.109 38.694 38.460 0.572 0.000 0.985 464 Y HN -0.046 nan 8.280 nan 0.000 0.542 465 K N 0.074 120.687 120.400 0.355 0.000 2.504 465 K HA 0.012 4.332 4.320 0.001 0.000 0.195 465 K C 0.078 176.775 176.600 0.162 0.000 1.036 465 K CA 0.176 56.580 56.287 0.196 0.000 0.984 465 K CB -0.095 32.474 32.500 0.115 0.000 0.788 465 K HN 0.016 nan 8.250 nan 0.000 0.488 466 V N 2.098 122.160 119.914 0.247 0.000 2.637 466 V HA -0.013 4.107 4.120 0.001 0.000 0.296 466 V C 0.111 176.330 176.094 0.208 0.000 1.046 466 V CA -0.073 62.352 62.300 0.209 0.000 1.066 466 V CB 1.218 33.159 31.823 0.197 0.000 0.968 466 V HN 0.123 nan 8.190 nan 0.000 0.483 467 E N 7.924 128.209 120.200 0.143 0.000 2.255 467 E HA 0.368 4.719 4.350 0.001 0.000 0.245 467 E C -1.724 174.948 176.600 0.119 0.000 0.909 467 E CA -2.436 54.041 56.400 0.129 0.000 0.747 467 E CB 1.527 31.271 29.700 0.073 0.000 1.215 467 E HN 0.323 nan 8.360 nan 0.000 0.424 468 P HA -0.170 nan 4.420 nan 0.000 0.216 468 P C 1.047 178.263 177.300 -0.141 0.000 1.150 468 P CA 0.970 64.076 63.100 0.008 0.000 0.843 468 P CB 0.310 32.020 31.700 0.017 0.000 0.787 469 L N -0.556 120.626 121.223 -0.068 0.000 2.675 469 L HA 0.006 4.347 4.340 0.001 0.000 0.238 469 L C 0.057 176.866 176.870 -0.102 0.000 1.155 469 L CA 0.422 55.204 54.840 -0.096 0.000 0.881 469 L CB -0.779 41.261 42.059 -0.032 0.000 1.008 469 L HN -0.150 nan 8.230 nan 0.000 0.443 470 D N 1.360 121.773 120.400 0.022 0.000 2.483 470 D HA 0.357 4.997 4.640 0.001 0.000 0.220 470 D C -0.523 175.866 176.300 0.149 0.000 1.173 470 D CA 0.246 54.253 54.000 0.011 0.000 0.964 470 D CB 0.063 40.870 40.800 0.012 0.000 1.046 470 D HN 0.051 nan 8.370 nan 0.000 0.517 471 F N -1.792 118.108 119.950 -0.084 0.000 2.725 471 F HA 0.525 5.052 4.527 0.001 0.000 0.309 471 F C 0.049 175.822 175.800 -0.044 0.000 1.132 471 F CA -1.760 56.199 58.000 -0.069 0.000 0.957 471 F CB 0.539 39.505 39.000 -0.058 0.000 1.286 471 F HN 0.051 nan 8.300 nan 0.000 0.440 472 G N 0.791 109.623 108.800 0.054 0.000 2.307 472 G HA2 0.504 4.464 3.960 0.001 0.000 0.271 472 G HA3 0.504 4.464 3.960 0.001 0.000 0.271 472 G C -0.111 174.770 174.900 -0.032 0.000 1.191 472 G CA 0.239 45.325 45.100 -0.024 0.000 1.024 472 G HN 1.612 nan 8.290 nan 0.000 0.441 473 G N 1.375 110.076 108.800 -0.166 0.000 2.473 473 G HA2 0.597 4.557 3.960 0.001 0.000 0.298 473 G HA3 0.597 4.557 3.960 0.001 0.000 0.298 473 G C -0.197 174.619 174.900 -0.141 0.000 1.575 473 G CA -0.021 45.008 45.100 -0.118 0.000 0.846 473 G HN 0.996 nan 8.290 nan 0.000 0.585 474 T N -0.829 113.689 114.554 -0.061 0.000 2.748 474 T HA 0.213 4.564 4.350 0.001 0.000 0.304 474 T C 1.475 176.140 174.700 -0.058 0.000 1.041 474 T CA 0.486 62.556 62.100 -0.051 0.000 1.033 474 T CB 1.024 69.881 68.868 -0.018 0.000 0.995 474 T HN 0.564 nan 8.240 nan 0.000 0.536 475 Q N 0.101 119.874 119.800 -0.045 0.000 2.234 475 Q HA -0.107 4.234 4.340 0.001 0.000 0.206 475 Q C 2.339 178.338 176.000 -0.001 0.000 0.980 475 Q CA 1.314 57.097 55.803 -0.032 0.000 0.869 475 Q CB -0.160 28.562 28.738 -0.026 0.000 0.912 475 Q HN 0.678 nan 8.270 nan 0.000 0.436 476 K N 1.207 121.611 120.400 0.006 0.000 2.025 476 K HA -0.197 4.124 4.320 0.001 0.000 0.207 476 K C 1.837 178.467 176.600 0.051 0.000 1.049 476 K CA 1.530 57.833 56.287 0.026 0.000 0.933 476 K CB 0.033 32.545 32.500 0.019 0.000 0.714 476 K HN 0.313 nan 8.250 nan 0.000 0.438 477 Q N 0.425 120.257 119.800 0.053 0.000 2.096 477 Q HA -0.128 4.212 4.340 0.001 0.000 0.204 477 Q C 2.091 178.188 176.000 0.161 0.000 0.982 477 Q CA 1.402 57.268 55.803 0.106 0.000 0.850 477 Q CB 0.007 28.814 28.738 0.114 0.000 0.901 477 Q HN 0.176 nan 8.270 nan 0.000 0.422 478 K N 0.623 121.079 120.400 0.095 0.000 2.103 478 K HA -0.199 4.122 4.320 0.001 0.000 0.207 478 K C 1.965 178.703 176.600 0.230 0.000 1.048 478 K CA 1.244 57.609 56.287 0.131 0.000 0.930 478 K CB -0.119 32.389 32.500 0.013 0.000 0.716 478 K HN 0.192 nan 8.250 nan 0.000 0.444 479 Q N 0.524 120.422 119.800 0.163 0.000 2.291 479 Q HA 0.011 4.351 4.340 0.001 0.000 0.206 479 Q C 1.956 178.069 176.000 0.189 0.000 0.976 479 Q CA 0.688 56.589 55.803 0.163 0.000 0.875 479 Q CB -0.140 28.659 28.738 0.100 0.000 0.927 479 Q HN 0.254 nan 8.270 nan 0.000 0.450 480 L N -1.093 120.249 121.223 0.198 0.000 2.376 480 L HA -0.003 4.338 4.340 0.001 0.000 0.219 480 L C 0.443 177.433 176.870 0.200 0.000 1.133 480 L CA -0.148 54.796 54.840 0.173 0.000 0.816 480 L CB -0.059 42.091 42.059 0.152 0.000 0.933 480 L HN 0.148 nan 8.230 nan 0.000 0.449 481 F N 1.121 121.165 119.950 0.157 0.000 2.471 481 F HA 0.121 4.648 4.527 0.000 0.000 0.365 481 F C 1.159 177.050 175.800 0.151 0.000 1.095 481 F CA -0.244 57.838 58.000 0.136 0.000 1.174 481 F CB 0.571 39.707 39.000 0.228 0.000 1.105 481 F HN -0.055 nan 8.300 nan 0.000 0.535 482 I N 2.316 122.711 120.570 -0.292 0.000 4.139 482 I HA 0.664 4.835 4.170 0.001 0.000 0.320 482 I C 0.758 176.798 176.117 -0.128 0.000 1.290 482 I CA 0.279 61.535 61.300 -0.074 0.000 1.253 482 I CB 0.161 38.110 38.000 -0.085 0.000 1.122 482 I HN 0.615 nan 8.210 nan 0.000 0.421 483 G N 0.104 108.532 108.800 -0.621 0.000 2.323 483 G HA2 0.483 4.444 3.960 0.001 0.000 0.291 483 G HA3 0.483 4.444 3.960 0.001 0.000 0.291 483 G C -1.288 173.367 174.900 -0.408 0.000 1.278 483 G CA -0.242 44.588 45.100 -0.450 0.000 0.860 483 G HN 0.421 nan 8.290 nan 0.000 0.504 484 G N -1.491 107.283 108.800 -0.043 0.000 2.949 484 G HA2 0.753 4.714 3.960 0.001 0.000 0.285 484 G HA3 0.753 4.714 3.960 0.001 0.000 0.285 484 G C -1.524 173.502 174.900 0.211 0.000 1.395 484 G CA -0.402 44.804 45.100 0.177 0.000 0.901 484 G HN 0.594 nan 8.290 nan 0.000 0.519 485 E N -0.701 119.678 120.200 0.299 0.000 2.311 485 E HA 0.489 4.840 4.350 0.001 0.000 0.281 485 E C -0.352 176.400 176.600 0.252 0.000 0.905 485 E CA -0.734 55.815 56.400 0.247 0.000 0.778 485 E CB 2.306 32.170 29.700 0.273 0.000 1.240 485 E HN 0.740 nan 8.360 nan 0.000 0.410 486 A N 1.702 124.569 122.820 0.078 0.000 2.366 486 A HA 0.470 4.790 4.320 0.001 0.000 0.249 486 A C -0.322 177.210 177.584 -0.087 0.000 1.084 486 A CA -0.137 51.903 52.037 0.006 0.000 0.794 486 A CB 0.255 19.147 19.000 -0.179 0.000 1.034 486 A HN 0.693 nan 8.150 nan 0.000 0.491 487 C N 1.055 120.270 119.300 -0.141 0.000 2.551 487 C HA 0.516 4.976 4.460 0.001 0.000 0.332 487 C C -0.493 174.271 174.990 -0.378 0.000 1.139 487 C CA -0.404 58.390 59.018 -0.374 0.000 1.328 487 C CB 0.508 27.979 27.740 -0.448 0.000 1.903 487 C HN 0.782 nan 8.230 nan 0.000 0.459 488 L N 3.316 124.250 121.223 -0.481 0.000 2.506 488 L HA 0.478 4.818 4.340 0.001 0.000 0.247 488 L C -0.685 175.963 176.870 -0.370 0.000 1.141 488 L CA 0.039 54.683 54.840 -0.326 0.000 0.973 488 L CB -0.155 41.723 42.059 -0.302 0.000 1.319 488 L HN 0.747 nan 8.230 nan 0.000 0.455 489 W N 2.091 123.231 121.300 -0.268 0.000 2.181 489 W HA 0.378 5.038 4.660 0.000 0.000 0.335 489 W C 1.495 177.939 176.519 -0.125 0.000 1.310 489 W CA 0.013 57.206 57.345 -0.253 0.000 1.226 489 W CB 0.780 30.045 29.460 -0.324 0.000 1.155 489 W HN 0.595 nan 8.180 nan 0.000 0.565 490 G N 1.381 110.260 108.800 0.133 0.000 3.371 490 G HA2 -0.021 3.940 3.960 0.001 0.000 0.248 490 G HA3 -0.021 3.940 3.960 0.001 0.000 0.248 490 G C 0.943 175.965 174.900 0.204 0.000 1.161 490 G CA -0.187 44.998 45.100 0.142 0.000 0.796 490 G HN 0.534 nan 8.290 nan 0.000 0.539 491 E N -0.014 120.231 120.200 0.075 0.000 2.130 491 E HA -0.150 4.200 4.350 0.001 0.000 0.196 491 E C 0.267 176.637 176.600 -0.384 0.000 0.998 491 E CA 1.290 57.577 56.400 -0.189 0.000 0.806 491 E CB -0.129 29.351 29.700 -0.366 0.000 0.738 491 E HN 0.659 nan 8.360 nan 0.000 0.459 492 Y N -1.422 118.950 120.300 0.121 0.000 2.672 492 Y HA 0.387 4.937 4.550 0.000 0.000 0.272 492 Y C -0.856 174.992 175.900 -0.086 0.000 1.055 492 Y CA -0.520 57.595 58.100 0.024 0.000 1.151 492 Y CB 0.971 39.453 38.460 0.037 0.000 1.190 492 Y HN -0.265 nan 8.280 nan 0.000 0.574 493 V N 2.072 121.943 119.914 -0.071 0.000 2.524 493 V HA 0.358 4.479 4.120 0.001 0.000 0.297 493 V C -0.889 175.055 176.094 -0.249 0.000 1.035 493 V CA -0.734 61.492 62.300 -0.123 0.000 0.867 493 V CB 1.897 33.696 31.823 -0.040 0.000 1.004 493 V HN 0.382 nan 8.190 nan 0.000 0.426 494 D N 4.212 124.447 120.400 -0.274 0.000 2.687 494 D HA 0.497 5.137 4.640 0.001 0.000 0.264 494 D C 1.105 177.361 176.300 -0.073 0.000 1.091 494 D CA -0.126 53.787 54.000 -0.145 0.000 1.123 494 D CB 2.027 42.731 40.800 -0.161 0.000 1.407 494 D HN 0.447 nan 8.370 nan 0.000 0.591 495 A N -0.533 122.267 122.820 -0.034 0.000 2.255 495 A HA -0.137 4.183 4.320 0.001 0.000 0.218 495 A C 1.801 179.370 177.584 -0.025 0.000 1.175 495 A CA 2.653 54.672 52.037 -0.031 0.000 0.682 495 A CB -1.285 17.701 19.000 -0.024 0.000 0.784 495 A HN 0.717 nan 8.150 nan 0.000 0.482 496 T N -2.475 112.061 114.554 -0.030 0.000 3.044 496 T HA -0.036 4.315 4.350 0.001 0.000 0.255 496 T C 1.147 175.836 174.700 -0.018 0.000 1.073 496 T CA 1.007 63.096 62.100 -0.019 0.000 1.125 496 T CB -0.223 68.635 68.868 -0.016 0.000 0.908 496 T HN 0.614 nan 8.240 nan 0.000 0.480 497 N N 0.092 118.775 118.700 -0.030 0.000 2.143 497 N HA 0.219 4.959 4.740 0.001 0.000 0.222 497 N C 1.435 176.926 175.510 -0.032 0.000 1.264 497 N CA -0.222 52.815 53.050 -0.022 0.000 0.897 497 N CB -0.526 37.950 38.487 -0.019 0.000 1.092 497 N HN 0.368 nan 8.380 nan 0.000 0.516 498 L N 1.098 122.294 121.223 -0.044 0.000 1.970 498 L HA -0.169 4.171 4.340 0.001 0.000 0.212 498 L C 1.718 178.553 176.870 -0.057 0.000 1.071 498 L CA 1.998 56.797 54.840 -0.067 0.000 0.751 498 L CB -0.704 41.312 42.059 -0.071 0.000 0.889 498 L HN 0.108 nan 8.230 nan 0.000 0.432 499 T N 0.251 114.810 114.554 0.009 0.000 2.607 499 T HA -0.146 4.204 4.350 0.001 0.000 0.267 499 T C -0.587 174.171 174.700 0.096 0.000 1.049 499 T CA 2.014 64.177 62.100 0.106 0.000 1.162 499 T CB -1.418 67.516 68.868 0.111 0.000 0.863 499 T HN 0.341 nan 8.240 nan 0.000 0.424 500 P HA 0.013 nan 4.420 nan 0.000 0.218 500 P C 1.494 178.796 177.300 0.004 0.000 1.149 500 P CA 0.961 64.082 63.100 0.037 0.000 0.817 500 P CB -0.030 31.684 31.700 0.022 0.000 0.785 501 R N -0.427 120.054 120.500 -0.032 0.000 2.075 501 R HA -0.045 4.296 4.340 0.001 0.000 0.232 501 R C 2.228 178.442 176.300 -0.142 0.000 1.126 501 R CA 1.062 57.131 56.100 -0.052 0.000 0.963 501 R CB -0.878 29.392 30.300 -0.049 0.000 0.858 501 R HN 0.150 nan 8.270 nan 0.000 0.435 502 L N -0.378 120.666 121.223 -0.298 0.000 2.023 502 L HA -0.046 4.294 4.340 0.001 0.000 0.205 502 L C 0.029 176.465 176.870 -0.724 0.000 1.073 502 L CA 0.979 55.411 54.840 -0.679 0.000 0.745 502 L CB -0.001 41.418 42.059 -1.066 0.000 0.900 502 L HN 0.177 nan 8.230 nan 0.000 0.435 503 W N -0.484 120.782 121.300 -0.057 0.000 2.551 503 W HA 0.330 4.990 4.660 0.001 0.000 0.330 503 W C -1.671 174.808 176.519 -0.068 0.000 1.063 503 W CA -1.679 55.628 57.345 -0.062 0.000 1.222 503 W CB 0.069 29.484 29.460 -0.075 0.000 1.349 503 W HN -0.137 nan 8.180 nan 0.000 0.536 504 P HA 0.076 nan 4.420 nan 0.000 0.261 504 P C 0.992 178.358 177.300 0.110 0.000 1.352 504 P CA 0.270 63.446 63.100 0.127 0.000 0.891 504 P CB 0.307 31.929 31.700 -0.129 0.000 1.383 505 R N 0.648 121.209 120.500 0.101 0.000 2.117 505 R HA -0.081 4.259 4.340 0.001 0.000 0.243 505 R C 2.010 178.412 176.300 0.171 0.000 1.143 505 R CA 1.813 58.034 56.100 0.203 0.000 0.968 505 R CB -0.957 29.465 30.300 0.203 0.000 0.863 505 R HN 0.167 nan 8.270 nan 0.000 0.444 506 A N 0.260 123.062 122.820 -0.030 0.000 2.208 506 A HA 0.017 4.338 4.320 0.001 0.000 0.209 506 A C 1.928 179.764 177.584 0.420 0.000 1.161 506 A CA 0.613 52.624 52.037 -0.042 0.000 0.782 506 A CB 0.025 18.665 19.000 -0.600 0.000 0.816 506 A HN 0.158 nan 8.150 nan 0.000 0.477 507 S N 0.181 116.188 115.700 0.513 0.000 2.428 507 S HA 0.038 4.509 4.470 0.001 0.000 0.230 507 S C 2.214 177.270 174.600 0.760 0.000 1.014 507 S CA 0.848 59.417 58.200 0.616 0.000 0.957 507 S CB -0.230 63.097 63.200 0.211 0.000 0.784 507 S HN 0.763 nan 8.310 nan 0.000 0.499 508 A N 1.672 124.877 122.820 0.642 0.000 1.845 508 A HA -0.068 4.253 4.320 0.001 0.000 0.215 508 A C 2.317 180.283 177.584 0.638 0.000 1.195 508 A CA 1.706 54.271 52.037 0.881 0.000 0.616 508 A CB -1.135 18.418 19.000 0.921 0.000 0.832 508 A HN 0.329 nan 8.150 nan 0.000 0.443 509 V N 0.329 120.443 119.914 0.334 0.000 2.380 509 V HA -0.264 3.856 4.120 0.001 0.000 0.251 509 V C 2.797 178.894 176.094 0.005 0.000 1.063 509 V CA 2.011 64.267 62.300 -0.074 0.000 1.055 509 V CB -1.784 29.806 31.823 -0.388 0.000 0.657 509 V HN 0.654 nan 8.190 nan 0.000 0.455 510 G N -0.372 108.564 108.800 0.226 0.000 2.529 510 G HA2 -0.371 3.589 3.960 0.001 0.000 0.219 510 G HA3 -0.371 3.589 3.960 0.001 0.000 0.219 510 G C 1.540 176.454 174.900 0.025 0.000 1.177 510 G CA 1.243 46.331 45.100 -0.020 0.000 0.773 510 G HN 0.605 nan 8.290 nan 0.000 0.573 511 E N -0.206 120.081 120.200 0.145 0.000 2.072 511 E HA -0.125 4.225 4.350 0.001 0.000 0.191 511 E C 2.521 179.126 176.600 0.008 0.000 0.985 511 E CA 0.927 57.265 56.400 -0.103 0.000 0.801 511 E CB -0.086 29.339 29.700 -0.459 0.000 0.750 511 E HN 0.236 nan 8.360 nan 0.000 0.452 512 R N 0.838 121.365 120.500 0.045 0.000 2.097 512 R HA -0.132 4.208 4.340 0.001 0.000 0.236 512 R C 2.243 178.647 176.300 0.173 0.000 1.135 512 R CA 1.914 58.044 56.100 0.051 0.000 0.934 512 R CB -0.880 29.485 30.300 0.108 0.000 0.846 512 R HN 0.310 nan 8.270 nan 0.000 0.431 513 L N -0.891 120.428 121.223 0.160 0.000 2.275 513 L HA -0.132 4.208 4.340 0.001 0.000 0.215 513 L C 2.302 179.340 176.870 0.281 0.000 1.119 513 L CA 0.842 55.881 54.840 0.332 0.000 0.790 513 L CB -0.475 41.645 42.059 0.100 0.000 0.919 513 L HN 0.422 nan 8.230 nan 0.000 0.443 514 W N 0.461 121.744 121.300 -0.028 0.000 2.678 514 W HA 0.115 4.775 4.660 0.000 0.000 0.282 514 W C 1.000 177.457 176.519 -0.103 0.000 1.137 514 W CA 0.153 57.454 57.345 -0.073 0.000 1.515 514 W CB 0.138 29.536 29.460 -0.103 0.000 1.101 514 W HN -0.086 nan 8.180 nan 0.000 0.564 515 S N 1.541 117.315 115.700 0.124 0.000 2.624 515 S HA 0.167 4.638 4.470 0.001 0.000 0.263 515 S C 0.333 174.873 174.600 -0.100 0.000 1.287 515 S CA -0.493 57.716 58.200 0.016 0.000 0.990 515 S CB 1.284 64.496 63.200 0.019 0.000 0.950 515 S HN 0.046 nan 8.310 nan 0.000 0.561 516 S N 1.048 116.686 115.700 -0.104 0.000 2.572 516 S HA 0.046 4.516 4.470 0.001 0.000 0.267 516 S C 1.444 176.001 174.600 -0.071 0.000 1.361 516 S CA -0.535 57.597 58.200 -0.113 0.000 1.009 516 S CB 0.296 63.443 63.200 -0.087 0.000 0.888 516 S HN 0.728 nan 8.310 nan 0.000 0.553 517 K N 1.271 121.632 120.400 -0.065 0.000 2.032 517 K HA -0.228 4.093 4.320 0.001 0.000 0.209 517 K C 1.656 178.247 176.600 -0.015 0.000 1.048 517 K CA 2.132 58.405 56.287 -0.023 0.000 0.927 517 K CB -0.489 31.999 32.500 -0.020 0.000 0.712 517 K HN 0.805 nan 8.250 nan 0.000 0.441 518 D N -0.098 120.291 120.400 -0.017 0.000 2.182 518 D HA -0.130 4.510 4.640 0.001 0.000 0.201 518 D C 0.498 176.809 176.300 0.019 0.000 0.986 518 D CA 0.603 54.602 54.000 -0.000 0.000 0.847 518 D CB -0.258 40.539 40.800 -0.004 0.000 0.942 518 D HN -0.065 nan 8.370 nan 0.000 0.467 519 V N 1.250 121.172 119.914 0.013 0.000 2.399 519 V HA 0.045 4.165 4.120 0.001 0.000 0.245 519 V C 0.910 177.055 176.094 0.085 0.000 1.089 519 V CA 0.570 62.900 62.300 0.051 0.000 1.196 519 V CB -0.727 31.114 31.823 0.030 0.000 1.221 519 V HN 0.294 nan 8.190 nan 0.000 0.482 520 R N 1.267 121.853 120.500 0.142 0.000 2.538 520 R HA 0.164 4.505 4.340 0.001 0.000 0.372 520 R C -0.051 176.425 176.300 0.294 0.000 0.950 520 R CA -0.584 55.643 56.100 0.212 0.000 1.168 520 R CB 0.575 30.938 30.300 0.105 0.000 1.542 520 R HN 0.552 nan 8.270 nan 0.000 0.536 521 D N 1.239 121.784 120.400 0.241 0.000 2.382 521 D HA -0.003 4.637 4.640 0.001 0.000 0.259 521 D C 1.016 177.456 176.300 0.234 0.000 1.224 521 D CA 0.143 54.258 54.000 0.192 0.000 0.894 521 D CB 0.968 41.853 40.800 0.141 0.000 1.127 521 D HN -0.174 nan 8.370 nan 0.000 0.487 522 M N 2.693 122.411 119.600 0.196 0.000 2.123 522 M HA -0.068 4.412 4.480 0.001 0.000 0.263 522 M C 1.292 177.718 176.300 0.210 0.000 1.069 522 M CA 1.192 56.607 55.300 0.192 0.000 1.133 522 M CB -0.418 32.247 32.600 0.109 0.000 1.356 522 M HN 0.355 nan 8.290 nan 0.000 0.415 523 D N -0.113 120.374 120.400 0.145 0.000 2.149 523 D HA -0.190 4.451 4.640 0.001 0.000 0.198 523 D C 1.652 178.071 176.300 0.198 0.000 0.990 523 D CA 1.488 55.570 54.000 0.137 0.000 0.839 523 D CB -0.384 40.461 40.800 0.074 0.000 0.948 523 D HN 0.454 nan 8.370 nan 0.000 0.460 524 D N -0.147 120.360 120.400 0.177 0.000 2.137 524 D HA 0.017 4.658 4.640 0.001 0.000 0.202 524 D C 1.970 178.396 176.300 0.209 0.000 0.970 524 D CA 1.320 55.421 54.000 0.169 0.000 0.837 524 D CB -0.053 40.829 40.800 0.136 0.000 0.981 524 D HN 0.070 nan 8.370 nan 0.000 0.475 525 A N -0.623 122.336 122.820 0.232 0.000 1.933 525 A HA -0.163 4.157 4.320 0.001 0.000 0.218 525 A C 2.191 179.924 177.584 0.248 0.000 1.175 525 A CA 1.476 53.658 52.037 0.243 0.000 0.628 525 A CB -1.257 17.709 19.000 -0.057 0.000 0.814 525 A HN 0.554 nan 8.150 nan 0.000 0.444 526 Y N 0.632 121.058 120.300 0.210 0.000 2.163 526 Y HA -0.206 4.345 4.550 0.000 0.000 0.288 526 Y C 2.209 178.113 175.900 0.006 0.000 1.136 526 Y CA 2.024 60.191 58.100 0.112 0.000 1.147 526 Y CB -0.162 38.432 38.460 0.224 0.000 0.987 526 Y HN 0.447 nan 8.280 nan 0.000 0.509 527 D N 0.063 120.596 120.400 0.221 0.000 2.117 527 D HA -0.202 4.438 4.640 0.001 0.000 0.197 527 D C 2.058 178.344 176.300 -0.023 0.000 0.987 527 D CA 1.394 55.452 54.000 0.096 0.000 0.829 527 D CB -0.060 40.830 40.800 0.149 0.000 0.961 527 D HN 0.414 nan 8.370 nan 0.000 0.460 528 R N -0.432 120.106 120.500 0.064 0.000 2.115 528 R HA -0.068 4.272 4.340 0.001 0.000 0.226 528 R C 2.316 178.612 176.300 -0.007 0.000 1.100 528 R CA 0.263 56.432 56.100 0.115 0.000 0.980 528 R CB -0.171 30.303 30.300 0.290 0.000 0.875 528 R HN 0.188 nan 8.270 nan 0.000 0.445 529 L N 0.944 122.019 121.223 -0.248 0.000 2.044 529 L HA -0.141 4.199 4.340 0.001 0.000 0.205 529 L C 2.413 178.957 176.870 -0.543 0.000 1.075 529 L CA 2.292 56.687 54.840 -0.742 0.000 0.747 529 L CB -1.008 40.359 42.059 -1.154 0.000 0.903 529 L HN 0.263 nan 8.230 nan 0.000 0.435 530 T N -2.573 111.653 114.554 -0.547 0.000 2.699 530 T HA -0.294 4.056 4.350 0.001 0.000 0.268 530 T C 2.077 176.584 174.700 -0.322 0.000 1.036 530 T CA 1.779 63.595 62.100 -0.474 0.000 1.147 530 T CB -0.527 68.008 68.868 -0.554 0.000 0.862 530 T HN 0.343 nan 8.240 nan 0.000 0.446 531 R N -0.191 120.159 120.500 -0.251 0.000 2.115 531 R HA 0.033 4.373 4.340 0.001 0.000 0.226 531 R C 2.731 178.929 176.300 -0.171 0.000 1.100 531 R CA 1.260 57.247 56.100 -0.189 0.000 0.980 531 R CB -0.480 29.739 30.300 -0.134 0.000 0.875 531 R HN 0.647 nan 8.270 nan 0.000 0.445 532 H N 0.563 119.471 119.070 -0.269 0.000 2.436 532 H HA 0.016 4.573 4.556 0.001 0.000 0.294 532 H C 1.982 177.120 175.328 -0.317 0.000 1.048 532 H CA 0.884 56.767 56.048 -0.275 0.000 1.353 532 H CB 0.274 29.860 29.762 -0.293 0.000 1.414 532 H HN -0.001 nan 8.280 nan 0.000 0.536 533 R N 0.772 121.029 120.500 -0.404 0.000 2.115 533 R HA -0.082 4.259 4.340 0.001 0.000 0.230 533 R C 2.196 178.298 176.300 -0.330 0.000 1.111 533 R CA 1.164 57.031 56.100 -0.389 0.000 0.976 533 R CB -0.984 29.121 30.300 -0.326 0.000 0.870 533 R HN 0.365 nan 8.270 nan 0.000 0.445 534 c N 0.041 118.465 118.600 -0.293 0.000 2.435 534 c HA 0.041 4.611 4.570 0.001 0.000 0.279 534 c C 2.835 176.766 174.090 -0.266 0.000 1.321 534 c CA 0.611 56.791 56.329 -0.248 0.000 1.752 534 c CB -0.959 41.412 42.510 -0.233 0.000 1.959 534 c HN 0.511 nan 8.230 nan 0.000 0.500 535 R N 0.224 120.528 120.500 -0.328 0.000 2.073 535 R HA -0.020 4.320 4.340 0.001 0.000 0.229 535 R C 2.298 178.314 176.300 -0.473 0.000 1.120 535 R CA 1.274 57.155 56.100 -0.365 0.000 0.967 535 R CB -0.231 29.852 30.300 -0.363 0.000 0.862 535 R HN 0.440 nan 8.270 nan 0.000 0.436 536 M N -0.015 119.247 119.600 -0.563 0.000 2.080 536 M HA -0.180 4.300 4.480 0.001 0.000 0.260 536 M C 2.221 178.334 176.300 -0.311 0.000 1.068 536 M CA 1.461 56.459 55.300 -0.503 0.000 1.109 536 M CB -0.183 32.130 32.600 -0.478 0.000 1.342 536 M HN 0.088 nan 8.290 nan 0.000 0.405 537 V N 0.631 120.397 119.914 -0.247 0.000 2.324 537 V HA -0.289 3.832 4.120 0.001 0.000 0.250 537 V C 2.116 178.128 176.094 -0.138 0.000 1.060 537 V CA 1.968 64.173 62.300 -0.157 0.000 1.042 537 V CB -0.742 31.000 31.823 -0.136 0.000 0.650 537 V HN 0.502 nan 8.190 nan 0.000 0.450 538 E N -0.161 119.937 120.200 -0.170 0.000 2.047 538 E HA -0.189 4.161 4.350 0.001 0.000 0.191 538 E C 2.294 178.827 176.600 -0.111 0.000 0.987 538 E CA 0.963 57.288 56.400 -0.126 0.000 0.799 538 E CB -0.206 29.413 29.700 -0.134 0.000 0.752 538 E HN 0.535 nan 8.360 nan 0.000 0.449 539 R N -0.324 120.049 120.500 -0.213 0.000 2.357 539 R HA -0.035 4.305 4.340 0.001 0.000 0.202 539 R C 0.976 177.273 176.300 -0.005 0.000 1.047 539 R CA 0.592 56.585 56.100 -0.180 0.000 1.034 539 R CB 0.078 29.961 30.300 -0.696 0.000 0.875 539 R HN 0.307 nan 8.270 nan 0.000 0.473 540 G N 0.460 109.243 108.800 -0.029 0.000 2.138 540 G HA2 -0.162 3.799 3.960 0.001 0.000 0.193 540 G HA3 -0.162 3.799 3.960 0.001 0.000 0.193 540 G C -0.152 174.752 174.900 0.006 0.000 0.998 540 G CA -0.661 44.447 45.100 0.013 0.000 0.668 540 G HN 0.108 nan 8.290 nan 0.000 0.516 541 I N 1.416 121.967 120.570 -0.032 0.000 2.354 541 I HA 0.568 4.739 4.170 0.001 0.000 0.286 541 I C 1.025 177.119 176.117 -0.038 0.000 1.007 541 I CA -0.891 60.386 61.300 -0.039 0.000 1.167 541 I CB 0.934 38.874 38.000 -0.100 0.000 1.320 541 I HN 0.312 nan 8.210 nan 0.000 0.458 542 A N 5.945 128.767 122.820 0.004 0.000 3.046 542 A HA 0.457 4.777 4.320 0.001 0.000 0.259 542 A C 1.033 178.636 177.584 0.033 0.000 1.843 542 A CA -0.261 51.780 52.037 0.007 0.000 1.451 542 A CB -0.771 18.238 19.000 0.016 0.000 1.025 542 A HN 0.779 nan 8.150 nan 0.000 0.625 543 A N 1.615 124.443 122.820 0.013 0.000 2.488 543 A HA 0.434 4.754 4.320 0.001 0.000 0.249 543 A C 0.707 178.289 177.584 -0.003 0.000 1.083 543 A CA -0.232 51.828 52.037 0.038 0.000 0.768 543 A CB 0.061 19.051 19.000 -0.017 0.000 1.017 543 A HN 0.885 nan 8.150 nan 0.000 0.496 544 Q N 3.486 123.294 119.800 0.014 0.000 2.368 544 Q HA 0.481 4.821 4.340 0.001 0.000 0.237 544 Q C -2.460 173.524 176.000 -0.026 0.000 0.987 544 Q CA -1.689 54.113 55.803 -0.001 0.000 0.896 544 Q CB 0.553 29.301 28.738 0.017 0.000 1.241 544 Q HN 0.503 nan 8.270 nan 0.000 0.485 545 P HA 0.015 nan 4.420 nan 0.000 0.274 545 P C 0.035 177.328 177.300 -0.013 0.000 1.237 545 P CA -0.184 62.894 63.100 -0.037 0.000 0.793 545 P CB 0.940 32.629 31.700 -0.018 0.000 0.977 546 L N -0.117 121.087 121.223 -0.030 0.000 2.307 546 L HA 0.148 4.489 4.340 0.001 0.000 0.211 546 L C 0.502 177.554 176.870 0.304 0.000 1.099 546 L CA 1.049 55.921 54.840 0.053 0.000 0.816 546 L CB -0.118 41.846 42.059 -0.158 0.000 0.952 546 L HN 0.438 nan 8.230 nan 0.000 0.455 547 Y N -1.525 118.826 120.300 0.084 0.000 2.786 547 Y HA 0.383 4.934 4.550 0.001 0.000 0.365 547 Y C -0.772 175.191 175.900 0.105 0.000 1.171 547 Y CA -1.313 56.868 58.100 0.135 0.000 1.214 547 Y CB 0.736 39.357 38.460 0.268 0.000 1.411 547 Y HN -0.164 nan 8.280 nan 0.000 0.485 548 A N 2.456 124.990 122.820 -0.477 0.000 2.563 548 A HA 0.441 4.761 4.320 0.001 0.000 0.256 548 A C 0.614 178.213 177.584 0.025 0.000 1.056 548 A CA 1.789 53.682 52.037 -0.239 0.000 0.775 548 A CB -1.225 17.554 19.000 -0.368 0.000 0.973 548 A HN 1.715 nan 8.150 nan 0.000 0.516 549 G N 1.025 109.864 108.800 0.065 0.000 2.474 549 G HA2 0.622 4.583 3.960 0.001 0.000 0.234 549 G HA3 0.622 4.583 3.960 0.001 0.000 0.234 549 G C -0.904 174.139 174.900 0.238 0.000 1.204 549 G CA 0.297 45.499 45.100 0.169 0.000 0.939 549 G HN 2.046 nan 8.290 nan 0.000 0.491 550 Y N -1.974 118.311 120.300 -0.025 0.000 2.741 550 Y HA 0.756 5.306 4.550 0.000 0.000 0.339 550 Y C -0.788 175.082 175.900 -0.051 0.000 1.226 550 Y CA -1.866 56.211 58.100 -0.038 0.000 1.072 550 Y CB 0.435 38.876 38.460 -0.031 0.000 1.331 550 Y HN 0.801 nan 8.280 nan 0.000 0.453 551 c N 2.056 120.506 118.600 -0.250 0.000 2.710 551 c HA 0.721 5.291 4.570 0.001 0.000 0.367 551 c C -0.536 173.371 174.090 -0.304 0.000 1.315 551 c CA -0.247 55.880 56.329 -0.336 0.000 1.764 551 c CB 0.912 43.318 42.510 -0.174 0.000 2.182 551 c HN 1.056 nan 8.230 nan 0.000 0.491 552 N N 0.000 118.560 118.700 -0.234 0.000 1.763 552 N HA 0.000 4.740 4.740 0.001 0.000 0.220 552 N CA 0.000 52.972 53.050 -0.130 0.000 0.885 552 N CB 0.000 38.462 38.487 -0.042 0.000 1.341 552 N HN 0.000 nan 8.380 nan 0.000 0.667