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 2gjx_1_F 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 DLLTPcYSXX 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 0.000 177.285 177.300 -0.024 0.000 1.155 54 P CA 0.000 63.062 63.100 -0.063 0.000 0.800 54 P CB 0.000 31.648 31.700 -0.087 0.000 0.726 55 A N 1.175 123.982 122.820 -0.021 0.000 2.827 55 A HA 0.528 4.848 4.320 -0.000 0.000 0.300 55 A C 0.248 177.879 177.584 0.078 0.000 1.237 55 A CA -0.349 51.704 52.037 0.027 0.000 0.964 55 A CB -0.299 18.704 19.000 0.006 0.000 1.143 55 A HN 0.182 nan 8.150 nan 0.000 0.554 56 L N 0.875 122.137 121.223 0.065 0.000 2.319 56 L HA 0.343 4.683 4.340 -0.000 0.000 0.280 56 L C -0.316 176.627 176.870 0.122 0.000 1.099 56 L CA -0.122 54.758 54.840 0.066 0.000 0.828 56 L CB 0.681 42.752 42.059 0.019 0.000 1.150 56 L HN 0.549 nan 8.230 nan 0.000 0.442 57 W N 7.037 128.238 121.300 -0.165 0.000 3.544 57 W HA 0.295 4.955 4.660 -0.000 0.000 0.326 57 W C -2.847 173.462 176.519 -0.349 0.000 1.137 57 W CA -1.491 55.660 57.345 -0.323 0.000 1.252 57 W CB 2.185 31.241 29.460 -0.672 0.000 1.302 57 W HN 0.222 nan 8.180 nan 0.000 0.467 58 P HA 0.151 nan 4.420 nan 0.000 0.274 58 P C -0.362 176.758 177.300 -0.299 0.000 1.237 58 P CA -0.367 62.367 63.100 -0.611 0.000 0.793 58 P CB 1.697 33.126 31.700 -0.453 0.000 0.977 59 L N 3.407 124.474 121.223 -0.260 0.000 2.418 59 L HA 0.201 4.541 4.340 -0.000 0.000 0.274 59 L C -2.043 174.858 176.870 0.051 0.000 1.135 59 L CA -1.749 53.042 54.840 -0.081 0.000 0.870 59 L CB 0.305 42.315 42.059 -0.082 0.000 1.154 59 L HN 0.265 nan 8.230 nan 0.000 0.462 60 P HA -0.089 nan 4.420 nan 0.000 0.271 60 P C 0.717 178.062 177.300 0.074 0.000 1.244 60 P CA -0.490 62.718 63.100 0.180 0.000 0.793 60 P CB 0.526 32.305 31.700 0.132 0.000 0.984 61 L N 0.662 121.897 121.223 0.020 0.000 1.956 61 L HA -0.119 4.221 4.340 -0.000 0.000 0.216 61 L C 0.613 177.457 176.870 -0.044 0.000 1.073 61 L CA 2.676 57.482 54.840 -0.058 0.000 0.762 61 L CB -1.223 40.764 42.059 -0.121 0.000 0.889 61 L HN 0.541 nan 8.230 nan 0.000 0.433 62 S N -1.003 114.670 115.700 -0.045 0.000 2.561 62 S HA 0.627 5.097 4.470 -0.000 0.000 0.303 62 S C -0.775 173.813 174.600 -0.019 0.000 1.110 62 S CA -0.745 57.435 58.200 -0.033 0.000 1.034 62 S CB 2.110 65.286 63.200 -0.040 0.000 1.010 62 S HN -0.018 nan 8.310 nan 0.000 0.482 63 V N 4.277 124.185 119.914 -0.011 0.000 2.462 63 V HA 0.469 4.589 4.120 -0.000 0.000 0.288 63 V C -0.681 175.408 176.094 -0.008 0.000 1.020 63 V CA -0.772 61.525 62.300 -0.005 0.000 0.857 63 V CB 1.652 33.475 31.823 0.000 0.000 1.013 63 V HN 0.972 nan 8.190 nan 0.000 0.431 64 K N 5.364 125.759 120.400 -0.008 0.000 2.292 64 K HA 0.616 4.936 4.320 -0.000 0.000 0.270 64 K C -0.387 176.205 176.600 -0.014 0.000 1.062 64 K CA -0.617 55.664 56.287 -0.010 0.000 0.916 64 K CB 1.822 34.317 32.500 -0.008 0.000 1.166 64 K HN 0.647 nan 8.250 nan 0.000 0.458 65 M N 0.840 120.430 119.600 -0.018 0.000 2.103 65 M HA 0.418 4.898 4.480 -0.000 0.000 0.291 65 M C -0.471 175.814 176.300 -0.024 0.000 1.216 65 M CA 0.426 55.710 55.300 -0.026 0.000 1.132 65 M CB 0.411 32.992 32.600 -0.032 0.000 1.396 65 M HN 0.469 nan 8.290 nan 0.000 0.479 66 T N -0.035 114.500 114.554 -0.031 0.000 3.579 66 T HA 0.356 4.706 4.350 -0.000 0.000 0.360 66 T C -2.533 172.148 174.700 -0.033 0.000 1.285 66 T CA -0.717 61.368 62.100 -0.026 0.000 1.127 66 T CB 1.721 70.576 68.868 -0.021 0.000 1.244 66 T HN 0.581 nan 8.240 nan 0.000 0.476 67 P HA -0.010 nan 4.420 nan 0.000 0.251 67 P C -0.234 177.051 177.300 -0.025 0.000 1.251 67 P CA 0.100 63.184 63.100 -0.026 0.000 0.763 67 P CB -0.297 31.393 31.700 -0.016 0.000 1.067 68 N N 0.759 119.442 118.700 -0.029 0.000 2.420 68 N HA 0.190 4.930 4.740 -0.000 0.000 0.262 68 N C -0.159 175.318 175.510 -0.055 0.000 1.144 68 N CA -0.437 52.595 53.050 -0.031 0.000 0.952 68 N CB 0.505 38.978 38.487 -0.024 0.000 1.081 68 N HN 0.076 nan 8.380 nan 0.000 0.480 69 L N 3.985 125.168 121.223 -0.067 0.000 2.276 69 L HA 0.427 4.767 4.340 -0.000 0.000 0.286 69 L C -0.087 176.639 176.870 -0.241 0.000 1.061 69 L CA -0.390 54.369 54.840 -0.136 0.000 0.807 69 L CB 0.565 42.563 42.059 -0.102 0.000 1.177 69 L HN 0.343 nan 8.230 nan 0.000 0.429 70 L N 2.572 123.615 121.223 -0.301 0.000 2.279 70 L HA 0.604 4.944 4.340 -0.000 0.000 0.262 70 L C -0.875 175.709 176.870 -0.477 0.000 1.019 70 L CA -0.927 53.736 54.840 -0.295 0.000 0.823 70 L CB 2.108 44.108 42.059 -0.100 0.000 1.358 70 L HN 0.559 nan 8.230 nan 0.000 0.432 71 H N -0.096 119.019 119.070 0.076 0.000 2.865 71 H HA 0.710 5.266 4.556 -0.000 0.000 0.372 71 H C -1.132 174.267 175.328 0.118 0.000 1.173 71 H CA -0.636 55.473 56.048 0.102 0.000 1.147 71 H CB 2.341 32.160 29.762 0.095 0.000 1.805 71 H HN 0.272 nan 8.280 nan 0.000 0.553 72 L N 0.776 122.182 121.223 0.305 0.000 2.323 72 L HA 0.804 5.144 4.340 -0.000 0.000 0.265 72 L C -0.607 176.376 176.870 0.188 0.000 1.012 72 L CA -1.165 53.804 54.840 0.215 0.000 0.820 72 L CB 2.010 44.159 42.059 0.150 0.000 1.334 72 L HN 0.690 nan 8.230 nan 0.000 0.427 73 A N 1.788 124.645 122.820 0.062 0.000 2.310 73 A HA 0.648 4.968 4.320 -0.000 0.000 0.304 73 A C -2.278 175.072 177.584 -0.391 0.000 1.231 73 A CA -1.453 50.532 52.037 -0.085 0.000 0.799 73 A CB 1.000 19.990 19.000 -0.016 0.000 1.162 73 A HN 0.466 nan 8.150 nan 0.000 0.486 74 P HA -0.274 nan 4.420 nan 0.000 0.209 74 P C 0.865 177.855 177.300 -0.517 0.000 1.167 74 P CA 2.049 64.386 63.100 -1.271 0.000 0.941 74 P CB 0.128 31.333 31.700 -0.824 0.000 0.787 75 E N -1.165 118.871 120.200 -0.274 0.000 2.321 75 E HA 0.001 4.351 4.350 -0.000 0.000 0.189 75 E C 0.551 177.073 176.600 -0.130 0.000 1.125 75 E CA 0.139 56.463 56.400 -0.127 0.000 1.005 75 E CB -1.075 28.591 29.700 -0.057 0.000 1.140 75 E HN 0.318 nan 8.360 nan 0.000 0.457 76 N N 0.148 118.692 118.700 -0.260 0.000 2.381 76 N HA 0.094 4.834 4.740 -0.000 0.000 0.257 76 N C -1.574 173.637 175.510 -0.499 0.000 1.409 76 N CA -0.308 52.561 53.050 -0.303 0.000 0.836 76 N CB 0.583 39.025 38.487 -0.075 0.000 1.384 76 N HN 0.112 nan 8.380 nan 0.000 0.490 77 F N 1.633 121.062 119.950 -0.869 0.000 2.539 77 F HA 0.471 4.998 4.527 -0.000 0.000 0.318 77 F C -1.773 173.589 175.800 -0.729 0.000 1.135 77 F CA -0.506 57.139 58.000 -0.592 0.000 0.915 77 F CB 0.889 39.830 39.000 -0.099 0.000 1.176 77 F HN -0.087 nan 8.300 nan 0.000 0.440 78 Y N 6.497 126.427 120.300 -0.617 0.000 2.354 78 Y HA 0.500 5.050 4.550 -0.000 0.000 0.330 78 Y C -0.458 175.024 175.900 -0.697 0.000 1.011 78 Y CA -1.377 56.446 58.100 -0.461 0.000 1.099 78 Y CB 1.283 39.571 38.460 -0.286 0.000 1.179 78 Y HN 0.360 nan 8.280 nan 0.000 0.442 79 I N 3.556 123.853 120.570 -0.455 0.000 2.379 79 I HA 0.304 4.473 4.170 -0.000 0.000 0.290 79 I C -0.043 175.554 176.117 -0.866 0.000 1.063 79 I CA 0.248 61.149 61.300 -0.665 0.000 1.351 79 I CB 0.460 38.092 38.000 -0.612 0.000 1.410 79 I HN 0.565 nan 8.210 nan 0.000 0.505 80 S N 3.836 119.123 115.700 -0.688 0.000 2.648 80 S HA 0.473 4.942 4.470 -0.000 0.000 0.305 80 S C -0.604 173.699 174.600 -0.495 0.000 1.094 80 S CA -0.813 57.062 58.200 -0.541 0.000 0.983 80 S CB 1.188 64.230 63.200 -0.263 0.000 1.101 80 S HN 0.504 nan 8.310 nan 0.000 0.514 81 H N 0.881 119.832 119.070 -0.197 0.000 2.767 81 H HA 0.301 4.857 4.556 -0.000 0.000 0.316 81 H C 0.504 175.788 175.328 -0.074 0.000 1.059 81 H CA 0.280 56.284 56.048 -0.073 0.000 1.461 81 H CB 0.588 30.351 29.762 0.003 0.000 1.475 81 H HN 0.416 nan 8.280 nan 0.000 0.531 82 S N 3.702 119.428 115.700 0.044 0.000 2.549 82 S HA 0.023 4.493 4.470 -0.000 0.000 0.283 82 S C -1.297 173.320 174.600 0.029 0.000 1.320 82 S CA -1.317 56.891 58.200 0.014 0.000 1.058 82 S CB 0.522 63.726 63.200 0.006 0.000 0.882 82 S HN 0.525 nan 8.310 nan 0.000 0.498 83 P HA -0.055 nan 4.420 nan 0.000 0.222 83 P C 0.195 177.499 177.300 0.006 0.000 1.142 83 P CA 1.306 64.409 63.100 0.004 0.000 0.788 83 P CB -0.075 31.622 31.700 -0.004 0.000 0.767 84 N N -1.774 116.933 118.700 0.011 0.000 2.392 84 N HA 0.011 4.751 4.740 -0.000 0.000 0.177 84 N C 0.590 176.110 175.510 0.016 0.000 1.066 84 N CA -0.156 52.901 53.050 0.011 0.000 0.895 84 N CB -0.006 38.488 38.487 0.011 0.000 0.988 84 N HN 0.001 nan 8.380 nan 0.000 0.457 85 S N 0.590 116.307 115.700 0.028 0.000 2.563 85 S HA -0.038 4.432 4.470 -0.000 0.000 0.284 85 S C 1.448 176.060 174.600 0.020 0.000 1.331 85 S CA -0.089 58.134 58.200 0.039 0.000 1.047 85 S CB 0.612 63.862 63.200 0.084 0.000 0.859 85 S HN 0.389 nan 8.310 nan 0.000 0.514 86 T N 1.570 116.132 114.554 0.014 0.000 3.148 86 T HA 0.495 4.845 4.350 -0.000 0.000 0.253 86 T C 0.263 174.952 174.700 -0.018 0.000 1.134 86 T CA 0.187 62.286 62.100 -0.003 0.000 1.051 86 T CB -0.180 68.686 68.868 -0.002 0.000 0.959 86 T HN 0.807 nan 8.240 nan 0.000 0.525 87 A N -0.313 122.500 122.820 -0.011 0.000 2.449 87 A HA 0.870 5.190 4.320 -0.000 0.000 0.302 87 A C 0.136 177.643 177.584 -0.128 0.000 1.048 87 A CA -0.476 51.531 52.037 -0.049 0.000 0.708 87 A CB 1.620 20.606 19.000 -0.023 0.000 1.274 87 A HN 0.440 nan 8.150 nan 0.000 0.410 88 G N -0.156 108.448 108.800 -0.328 0.000 3.257 88 G HA2 0.625 4.585 3.960 -0.000 0.000 0.205 88 G HA3 0.625 4.585 3.960 -0.000 0.000 0.205 88 G C -2.367 171.951 174.900 -0.970 0.000 1.234 88 G CA -1.064 43.617 45.100 -0.698 0.000 0.918 88 G HN 0.335 nan 8.290 nan 0.000 0.602 89 P HA 0.019 nan 4.420 nan 0.000 0.234 89 P C 1.455 178.680 177.300 -0.125 0.000 1.162 89 P CA 1.232 64.205 63.100 -0.211 0.000 0.759 89 P CB 0.430 32.080 31.700 -0.083 0.000 0.813 90 S N -1.746 113.856 115.700 -0.164 0.000 2.501 90 S HA -0.017 4.453 4.470 -0.000 0.000 0.220 90 S C 0.779 175.329 174.600 -0.083 0.000 0.997 90 S CA -0.292 57.849 58.200 -0.098 0.000 0.919 90 S CB -0.637 62.509 63.200 -0.091 0.000 0.778 90 S HN 0.210 nan 8.310 nan 0.000 0.523 91 c N 2.697 121.237 118.600 -0.100 0.000 2.520 91 c HA 0.408 4.978 4.570 -0.000 0.000 0.369 91 c C 2.149 176.208 174.090 -0.052 0.000 1.244 91 c CA 0.203 56.490 56.329 -0.071 0.000 1.677 91 c CB -1.093 41.384 42.510 -0.055 0.000 2.324 91 c HN 0.620 nan 8.230 nan 0.000 0.557 92 T N 3.887 118.402 114.554 -0.064 0.000 2.788 92 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 92 T C 1.711 176.354 174.700 -0.096 0.000 1.044 92 T CA 2.054 64.117 62.100 -0.061 0.000 1.139 92 T CB -0.288 68.549 68.868 -0.052 0.000 0.867 92 T HN 0.815 nan 8.240 nan 0.000 0.454 93 L N 0.129 121.277 121.223 -0.126 0.000 2.012 93 L HA -0.001 4.339 4.340 -0.000 0.000 0.210 93 L C 2.458 179.185 176.870 -0.240 0.000 1.073 93 L CA 1.560 56.303 54.840 -0.162 0.000 0.748 93 L CB -0.266 41.679 42.059 -0.190 0.000 0.891 93 L HN 0.327 nan 8.230 nan 0.000 0.431 94 L N -0.618 120.432 121.223 -0.287 0.000 2.141 94 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 94 L C 2.713 179.080 176.870 -0.839 0.000 1.094 94 L CA 0.696 55.178 54.840 -0.598 0.000 0.763 94 L CB -0.607 41.233 42.059 -0.366 0.000 0.908 94 L HN 0.288 nan 8.230 nan 0.000 0.437 95 E N 0.236 120.257 120.200 -0.299 0.000 2.038 95 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 95 E C 2.100 178.631 176.600 -0.115 0.000 1.000 95 E CA 1.309 57.652 56.400 -0.094 0.000 0.803 95 E CB -0.135 29.577 29.700 0.020 0.000 0.750 95 E HN 0.386 nan 8.360 nan 0.000 0.448 96 E N 0.685 120.810 120.200 -0.126 0.000 2.110 96 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 96 E C 1.874 178.431 176.600 -0.071 0.000 0.988 96 E CA 1.141 57.497 56.400 -0.073 0.000 0.804 96 E CB -0.395 29.265 29.700 -0.066 0.000 0.745 96 E HN 0.280 nan 8.360 nan 0.000 0.458 97 A N 0.074 122.776 122.820 -0.195 0.000 1.908 97 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 97 A C 1.868 179.486 177.584 0.057 0.000 1.181 97 A CA 1.428 53.398 52.037 -0.111 0.000 0.627 97 A CB -0.776 18.036 19.000 -0.313 0.000 0.818 97 A HN 0.238 nan 8.150 nan 0.000 0.445 98 F N -0.387 119.603 119.950 0.066 0.000 2.146 98 F HA -0.017 4.510 4.527 -0.000 0.000 0.298 98 F C 2.385 178.258 175.800 0.121 0.000 1.096 98 F CA 1.175 59.212 58.000 0.062 0.000 1.275 98 F CB -0.890 38.096 39.000 -0.024 0.000 1.008 98 F HN 0.214 nan 8.300 nan 0.000 0.480 99 R N 0.613 121.257 120.500 0.241 0.000 2.075 99 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 99 R C 2.482 178.861 176.300 0.132 0.000 1.126 99 R CA 1.363 57.555 56.100 0.153 0.000 0.963 99 R CB -0.232 30.113 30.300 0.076 0.000 0.858 99 R HN 0.161 nan 8.270 nan 0.000 0.435 100 R N -0.728 119.832 120.500 0.100 0.000 2.083 100 R HA -0.189 4.151 4.340 -0.000 0.000 0.237 100 R C 1.743 178.015 176.300 -0.047 0.000 1.137 100 R CA 1.957 58.057 56.100 0.001 0.000 0.951 100 R CB -0.381 29.944 30.300 0.042 0.000 0.851 100 R HN 0.314 nan 8.270 nan 0.000 0.434 101 Y N -0.713 119.697 120.300 0.183 0.000 2.509 101 Y HA -0.140 4.409 4.550 -0.000 0.000 0.293 101 Y C 2.100 178.085 175.900 0.141 0.000 1.133 101 Y CA 1.505 59.751 58.100 0.242 0.000 1.283 101 Y CB -0.226 38.347 38.460 0.189 0.000 1.001 101 Y HN 0.365 nan 8.280 nan 0.000 0.555 102 H N -0.859 118.322 119.070 0.186 0.000 2.387 102 H HA -0.103 4.453 4.556 -0.000 0.000 0.299 102 H C 2.380 177.783 175.328 0.125 0.000 1.090 102 H CA 1.701 57.865 56.048 0.194 0.000 1.332 102 H CB -0.324 29.554 29.762 0.194 0.000 1.386 102 H HN 0.293 nan 8.280 nan 0.000 0.516 103 G N -1.172 107.622 108.800 -0.010 0.000 2.408 103 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.215 103 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.215 103 G C 0.975 175.762 174.900 -0.190 0.000 1.156 103 G CA 0.560 45.572 45.100 -0.146 0.000 0.793 103 G HN 0.418 nan 8.290 nan 0.000 0.535 104 Y N 0.571 120.816 120.300 -0.092 0.000 2.352 104 Y HA 0.139 4.689 4.550 -0.000 0.000 0.292 104 Y C 2.538 178.350 175.900 -0.147 0.000 1.136 104 Y CA 0.093 58.098 58.100 -0.158 0.000 1.227 104 Y CB -0.242 38.042 38.460 -0.294 0.000 0.991 104 Y HN 0.151 nan 8.280 nan 0.000 0.545 105 I N -1.716 118.816 120.570 -0.063 0.000 2.206 105 I HA -0.237 3.933 4.170 -0.000 0.000 0.239 105 I C 1.520 177.353 176.117 -0.474 0.000 1.078 105 I CA 1.328 62.421 61.300 -0.346 0.000 1.367 105 I CB -0.308 37.300 38.000 -0.654 0.000 1.078 105 I HN 0.030 nan 8.210 nan 0.000 0.413 106 F N 0.371 120.172 119.950 -0.249 0.000 2.231 106 F HA 0.393 4.920 4.527 -0.000 0.000 0.267 106 F C 1.579 177.397 175.800 0.030 0.000 1.108 106 F CA 0.803 58.655 58.000 -0.246 0.000 1.098 106 F CB -1.231 37.350 39.000 -0.698 0.000 1.088 106 F HN 0.161 nan 8.300 nan 0.000 0.541 123 Q N 1.838 121.713 119.800 0.124 0.000 2.262 123 Q HA 0.453 4.793 4.340 -0.000 0.000 0.272 123 Q C -0.719 175.366 176.000 0.141 0.000 1.076 123 Q CA -0.134 55.753 55.803 0.139 0.000 0.905 123 Q CB 1.096 29.906 28.738 0.119 0.000 1.182 123 Q HN 0.465 nan 8.270 nan 0.000 0.390 124 V N 5.334 125.356 119.914 0.180 0.000 2.352 124 V HA -0.058 4.062 4.120 -0.000 0.000 0.253 124 V C 1.295 177.576 176.094 0.311 0.000 1.083 124 V CA -0.074 62.366 62.300 0.233 0.000 0.993 124 V CB 0.559 32.549 31.823 0.279 0.000 1.111 124 V HN 0.799 nan 8.190 nan 0.000 0.490 125 Q N 3.196 123.105 119.800 0.181 0.000 1.998 125 Q HA -0.177 4.163 4.340 -0.000 0.000 0.209 125 Q C 0.944 176.938 176.000 -0.011 0.000 1.002 125 Q CA 1.954 57.822 55.803 0.109 0.000 0.858 125 Q CB 0.131 28.903 28.738 0.057 0.000 0.932 125 Q HN 0.998 nan 8.270 nan 0.000 0.416 126 Q N -1.470 118.269 119.800 -0.102 0.000 2.693 126 Q HA 0.602 4.941 4.340 -0.000 0.000 0.306 126 Q C -1.488 174.322 176.000 -0.318 0.000 0.969 126 Q CA -0.879 54.639 55.803 -0.474 0.000 0.757 126 Q CB 1.149 29.705 28.738 -0.303 0.000 1.494 126 Q HN 0.095 nan 8.270 nan 0.000 0.459 127 L N 1.321 122.257 121.223 -0.479 0.000 2.372 127 L HA 0.492 4.832 4.340 -0.000 0.000 0.273 127 L C -1.816 174.874 176.870 -0.300 0.000 0.989 127 L CA -0.493 54.189 54.840 -0.263 0.000 0.841 127 L CB 1.564 43.463 42.059 -0.267 0.000 1.225 127 L HN 0.708 nan 8.230 nan 0.000 0.414 128 L N 5.511 126.624 121.223 -0.182 0.000 2.326 128 L HA 0.563 4.903 4.340 -0.000 0.000 0.278 128 L C -0.573 176.217 176.870 -0.134 0.000 1.092 128 L CA -0.748 53.992 54.840 -0.167 0.000 0.810 128 L CB 1.655 43.660 42.059 -0.090 0.000 1.153 128 L HN 0.338 nan 8.230 nan 0.000 0.439 129 V N 2.491 122.318 119.914 -0.145 0.000 2.378 129 V HA 0.317 4.437 4.120 -0.000 0.000 0.288 129 V C -0.082 176.019 176.094 0.011 0.000 1.016 129 V CA -0.336 61.930 62.300 -0.056 0.000 0.840 129 V CB 1.608 33.418 31.823 -0.020 0.000 0.994 129 V HN 0.768 nan 8.190 nan 0.000 0.431 130 S N 5.698 121.414 115.700 0.027 0.000 2.478 130 S HA 0.662 5.132 4.470 -0.000 0.000 0.312 130 S C -0.662 173.965 174.600 0.044 0.000 1.094 130 S CA -0.636 57.589 58.200 0.041 0.000 1.081 130 S CB 0.768 63.987 63.200 0.030 0.000 1.007 130 S HN 0.481 nan 8.310 nan 0.000 0.475 131 I N 5.613 126.208 120.570 0.042 0.000 2.291 131 I HA 0.193 4.363 4.170 -0.000 0.000 0.290 131 I C 1.665 177.798 176.117 0.026 0.000 1.050 131 I CA -0.054 61.263 61.300 0.028 0.000 1.245 131 I CB 0.019 38.023 38.000 0.006 0.000 1.405 131 I HN 0.660 nan 8.210 nan 0.000 0.478 132 T N 5.808 120.382 114.554 0.034 0.000 2.555 132 T HA -0.105 4.245 4.350 -0.000 0.000 0.264 132 T C 1.349 176.065 174.700 0.027 0.000 1.083 132 T CA 1.380 63.499 62.100 0.032 0.000 1.179 132 T CB -0.012 68.879 68.868 0.038 0.000 0.863 132 T HN 0.341 nan 8.240 nan 0.000 0.412 133 L N 0.021 121.263 121.223 0.031 0.000 2.946 133 L HA 0.382 4.722 4.340 -0.000 0.000 0.189 133 L C 0.616 177.498 176.870 0.020 0.000 1.249 133 L CA -1.015 53.843 54.840 0.030 0.000 1.098 133 L CB 0.046 42.130 42.059 0.043 0.000 2.064 133 L HN 0.129 nan 8.230 nan 0.000 0.522 134 Q N -0.148 119.666 119.800 0.024 0.000 2.313 134 Q HA 0.017 4.357 4.340 -0.000 0.000 0.266 134 Q C 0.697 176.692 176.000 -0.008 0.000 0.989 134 Q CA 0.533 56.342 55.803 0.011 0.000 0.890 134 Q CB 1.335 30.087 28.738 0.024 0.000 1.200 134 Q HN 0.564 nan 8.270 nan 0.000 0.396 135 S N 2.902 118.574 115.700 -0.047 0.000 2.395 135 S HA -0.121 4.349 4.470 -0.000 0.000 0.225 135 S C -0.406 174.080 174.600 -0.190 0.000 1.027 135 S CA 0.693 58.817 58.200 -0.127 0.000 0.965 135 S CB -0.538 62.586 63.200 -0.126 0.000 0.812 135 S HN 0.845 nan 8.310 nan 0.000 0.482 136 E N -0.558 119.585 120.200 -0.095 0.000 2.302 136 E HA -0.215 4.135 4.350 -0.000 0.000 0.186 136 E C 0.117 176.618 176.600 -0.165 0.000 1.444 136 E CA 0.359 56.729 56.400 -0.051 0.000 0.671 136 E CB -2.569 27.191 29.700 0.101 0.000 1.122 136 E HN 0.548 nan 8.360 nan 0.000 0.366 137 c N 0.825 119.324 118.600 -0.168 0.000 2.464 137 c HA -0.045 4.525 4.570 -0.000 0.000 0.278 137 c C 1.248 175.249 174.090 -0.148 0.000 1.375 137 c CA 0.904 57.109 56.329 -0.207 0.000 1.761 137 c CB -0.464 41.951 42.510 -0.158 0.000 1.944 137 c HN 0.594 nan 8.230 nan 0.000 0.509 138 D N 0.779 121.123 120.400 -0.093 0.000 2.491 138 D HA 0.374 5.014 4.640 -0.000 0.000 0.228 138 D C 0.230 176.477 176.300 -0.087 0.000 1.183 138 D CA 0.331 54.275 54.000 -0.094 0.000 0.827 138 D CB 0.065 40.833 40.800 -0.053 0.000 0.989 138 D HN 0.441 nan 8.370 nan 0.000 0.494 139 A N 0.007 122.813 122.820 -0.023 0.000 2.374 139 A HA 0.644 4.964 4.320 -0.000 0.000 0.317 139 A C -0.638 177.039 177.584 0.155 0.000 1.094 139 A CA -0.670 51.425 52.037 0.095 0.000 0.765 139 A CB 1.060 20.196 19.000 0.227 0.000 1.268 139 A HN -0.011 nan 8.150 nan 0.000 0.438 140 F N 1.410 121.502 119.950 0.236 0.000 2.389 140 F HA 0.436 4.963 4.527 -0.000 0.000 0.337 140 F C -1.784 174.028 175.800 0.019 0.000 1.112 140 F CA -1.578 56.523 58.000 0.167 0.000 1.192 140 F CB 0.475 39.541 39.000 0.111 0.000 1.185 140 F HN 0.295 nan 8.300 nan 0.000 0.552 141 P HA 0.143 nan 4.420 nan 0.000 0.271 141 P C -1.182 176.009 177.300 -0.182 0.000 1.216 141 P CA -0.397 62.352 63.100 -0.584 0.000 0.771 141 P CB 0.503 31.713 31.700 -0.818 0.000 0.864 142 N N 2.241 120.848 118.700 -0.154 0.000 2.518 142 N HA 0.231 4.971 4.740 -0.000 0.000 0.284 142 N C 0.921 176.425 175.510 -0.010 0.000 1.230 142 N CA -0.938 52.117 53.050 0.009 0.000 0.941 142 N CB 0.215 38.752 38.487 0.084 0.000 1.219 142 N HN 0.258 nan 8.380 nan 0.000 0.560 143 I N -0.467 120.151 120.570 0.081 0.000 2.163 143 I HA -0.205 3.965 4.170 -0.000 0.000 0.243 143 I C 0.531 176.667 176.117 0.031 0.000 1.085 143 I CA 1.368 62.694 61.300 0.043 0.000 1.347 143 I CB -0.146 37.869 38.000 0.025 0.000 1.044 143 I HN 0.660 nan 8.210 nan 0.000 0.408 144 S N 0.921 116.654 115.700 0.053 0.000 3.812 144 S HA 0.329 4.799 4.470 -0.000 0.000 0.195 144 S C 0.048 174.674 174.600 0.043 0.000 1.460 144 S CA -0.723 57.507 58.200 0.050 0.000 1.052 144 S CB -0.075 63.166 63.200 0.068 0.000 1.385 144 S HN 0.242 nan 8.310 nan 0.000 0.490 145 S N 2.069 117.768 115.700 -0.001 0.000 2.508 145 S HA 0.278 4.748 4.470 -0.000 0.000 0.284 145 S C -0.312 174.347 174.600 0.099 0.000 1.192 145 S CA -0.668 57.529 58.200 -0.005 0.000 1.070 145 S CB 0.965 63.974 63.200 -0.318 0.000 1.004 145 S HN 0.615 nan 8.310 nan 0.000 0.493 146 D N 2.327 122.854 120.400 0.211 0.000 2.359 146 D HA 0.066 4.706 4.640 -0.000 0.000 0.250 146 D C 0.175 176.641 176.300 0.277 0.000 1.264 146 D CA 0.084 54.202 54.000 0.197 0.000 0.911 146 D CB 0.353 41.259 40.800 0.178 0.000 1.056 146 D HN 0.547 nan 8.370 nan 0.000 0.499 147 E N 1.246 121.580 120.200 0.222 0.000 2.437 147 E HA 0.099 4.449 4.350 -0.000 0.000 0.195 147 E C -0.016 176.782 176.600 0.330 0.000 1.029 147 E CA -0.245 56.351 56.400 0.326 0.000 0.948 147 E CB 0.543 30.450 29.700 0.344 0.000 1.082 147 E HN 0.214 nan 8.360 nan 0.000 0.456 148 S N 0.845 116.669 115.700 0.207 0.000 2.601 148 S HA 0.424 4.894 4.470 -0.000 0.000 0.271 148 S C -0.522 174.232 174.600 0.256 0.000 1.305 148 S CA -0.465 57.813 58.200 0.130 0.000 1.022 148 S CB 0.357 63.570 63.200 0.022 0.000 0.940 148 S HN 0.324 nan 8.310 nan 0.000 0.525 149 Y N -1.735 118.622 120.300 0.095 0.000 2.641 149 Y HA 0.656 5.206 4.550 -0.000 0.000 0.333 149 Y C -0.897 175.046 175.900 0.072 0.000 1.174 149 Y CA -1.263 56.888 58.100 0.086 0.000 1.057 149 Y CB 0.662 39.184 38.460 0.104 0.000 1.322 149 Y HN 0.598 nan 8.280 nan 0.000 0.457 150 T N 1.210 115.887 114.554 0.206 0.000 2.848 150 T HA 0.669 5.019 4.350 -0.000 0.000 0.285 150 T C -1.580 173.259 174.700 0.233 0.000 0.995 150 T CA -0.633 61.541 62.100 0.125 0.000 0.970 150 T CB 1.655 70.558 68.868 0.058 0.000 0.976 150 T HN 1.015 nan 8.240 nan 0.000 0.441 151 L N 3.949 125.310 121.223 0.229 0.000 2.319 151 L HA 0.602 4.942 4.340 -0.000 0.000 0.281 151 L C -1.295 175.666 176.870 0.151 0.000 1.005 151 L CA -1.160 53.815 54.840 0.226 0.000 0.828 151 L CB 0.972 43.211 42.059 0.300 0.000 1.227 151 L HN 0.696 nan 8.230 nan 0.000 0.415 152 L N 6.034 127.337 121.223 0.133 0.000 2.280 152 L HA 0.423 4.763 4.340 -0.000 0.000 0.287 152 L C -0.466 176.476 176.870 0.120 0.000 1.023 152 L CA -0.757 54.144 54.840 0.100 0.000 0.819 152 L CB 1.709 43.813 42.059 0.076 0.000 1.212 152 L HN 0.297 nan 8.230 nan 0.000 0.420 153 V N 4.152 124.120 119.914 0.090 0.000 2.270 153 V HA 0.278 4.398 4.120 -0.000 0.000 0.263 153 V C 0.193 176.325 176.094 0.062 0.000 1.066 153 V CA -0.529 61.822 62.300 0.085 0.000 0.857 153 V CB 0.247 32.078 31.823 0.014 0.000 1.099 153 V HN 0.679 nan 8.190 nan 0.000 0.476 154 K N 2.402 122.851 120.400 0.081 0.000 2.221 154 K HA 0.416 4.736 4.320 -0.000 0.000 0.243 154 K C 0.864 177.507 176.600 0.072 0.000 0.968 154 K CA -0.686 55.638 56.287 0.062 0.000 0.846 154 K CB 2.128 34.661 32.500 0.055 0.000 1.141 154 K HN 0.599 nan 8.250 nan 0.000 0.434 155 E N 0.943 121.176 120.200 0.055 0.000 2.152 155 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 155 E C -1.301 175.343 176.600 0.073 0.000 0.983 155 E CA 0.810 57.247 56.400 0.061 0.000 0.818 155 E CB -0.961 28.766 29.700 0.044 0.000 0.758 155 E HN 0.335 nan 8.360 nan 0.000 0.467 156 P HA -0.000 nan 4.420 nan 0.000 0.213 156 P C 0.022 177.360 177.300 0.063 0.000 1.176 156 P CA 0.789 63.923 63.100 0.056 0.000 0.894 156 P CB 0.327 32.051 31.700 0.040 0.000 0.771 157 V N -0.252 119.698 119.914 0.059 0.000 2.686 157 V HA 0.587 4.707 4.120 -0.000 0.000 0.306 157 V C -0.234 175.906 176.094 0.076 0.000 1.065 157 V CA -1.167 61.166 62.300 0.054 0.000 0.894 157 V CB 1.579 33.413 31.823 0.018 0.000 1.004 157 V HN 0.226 nan 8.190 nan 0.000 0.424 158 A N 4.274 127.163 122.820 0.114 0.000 2.327 158 A HA 0.812 5.132 4.320 -0.000 0.000 0.283 158 A C -0.562 177.070 177.584 0.080 0.000 1.127 158 A CA -0.356 51.772 52.037 0.153 0.000 0.810 158 A CB 0.973 20.160 19.000 0.310 0.000 1.066 158 A HN 0.795 nan 8.150 nan 0.000 0.492 159 V N 3.210 123.175 119.914 0.086 0.000 2.483 159 V HA 0.374 4.494 4.120 -0.000 0.000 0.297 159 V C -0.920 175.216 176.094 0.070 0.000 1.027 159 V CA -0.436 61.892 62.300 0.047 0.000 0.855 159 V CB 1.410 33.258 31.823 0.041 0.000 0.995 159 V HN 0.792 nan 8.190 nan 0.000 0.424 160 L N 5.368 126.612 121.223 0.035 0.000 2.295 160 L HA 0.564 4.904 4.340 -0.000 0.000 0.281 160 L C -0.217 176.691 176.870 0.064 0.000 1.018 160 L CA -0.100 54.777 54.840 0.062 0.000 0.841 160 L CB 0.976 43.035 42.059 0.001 0.000 1.218 160 L HN 0.647 nan 8.230 nan 0.000 0.424 161 K N 4.500 124.961 120.400 0.102 0.000 2.334 161 K HA 0.795 5.115 4.320 -0.000 0.000 0.265 161 K C -1.109 175.568 176.600 0.129 0.000 1.039 161 K CA -0.378 55.963 56.287 0.090 0.000 0.920 161 K CB 0.978 33.520 32.500 0.071 0.000 1.160 161 K HN 0.748 nan 8.250 nan 0.000 0.451 162 A N 3.444 126.332 122.820 0.115 0.000 2.342 162 A HA 0.234 4.554 4.320 -0.000 0.000 0.323 162 A C 0.565 178.208 177.584 0.099 0.000 1.125 162 A CA -0.804 51.321 52.037 0.146 0.000 0.785 162 A CB 1.178 20.262 19.000 0.142 0.000 1.221 162 A HN 0.856 nan 8.150 nan 0.000 0.463 163 N N 0.899 119.663 118.700 0.108 0.000 2.069 163 N HA -0.097 4.643 4.740 -0.000 0.000 0.191 163 N C 0.441 175.994 175.510 0.071 0.000 1.031 163 N CA 1.458 54.558 53.050 0.083 0.000 0.852 163 N CB -0.046 38.493 38.487 0.088 0.000 1.018 163 N HN 0.760 nan 8.380 nan 0.000 0.423 164 R N -1.451 119.100 120.500 0.084 0.000 2.855 164 R HA 0.233 4.573 4.340 -0.000 0.000 0.266 164 R C 0.720 176.967 176.300 -0.088 0.000 1.034 164 R CA -0.668 55.440 56.100 0.014 0.000 0.944 164 R CB 0.841 31.195 30.300 0.089 0.000 1.219 164 R HN -0.188 nan 8.270 nan 0.000 0.474 165 V N 0.842 120.557 119.914 -0.332 0.000 2.546 165 V HA -0.226 3.894 4.120 -0.000 0.000 0.254 165 V C 0.937 176.806 176.094 -0.376 0.000 1.076 165 V CA 1.857 63.888 62.300 -0.449 0.000 1.087 165 V CB -0.326 31.081 31.823 -0.692 0.000 0.674 165 V HN 0.700 nan 8.190 nan 0.000 0.470 166 W N -0.024 121.311 121.300 0.058 0.000 2.402 166 W HA 0.101 4.761 4.660 -0.000 0.000 0.286 166 W C 2.458 179.041 176.519 0.106 0.000 1.221 166 W CA 0.637 58.029 57.345 0.078 0.000 1.257 166 W CB -0.879 28.642 29.460 0.101 0.000 1.120 166 W HN 0.286 nan 8.180 nan 0.000 0.551 167 G N 0.416 109.393 108.800 0.294 0.000 2.448 167 G HA2 -0.067 3.892 3.960 -0.000 0.000 0.218 167 G HA3 -0.067 3.892 3.960 -0.000 0.000 0.218 167 G C 1.659 176.612 174.900 0.090 0.000 1.135 167 G CA 0.950 46.232 45.100 0.304 0.000 0.784 167 G HN 0.279 nan 8.290 nan 0.000 0.543 168 A N 0.824 123.652 122.820 0.014 0.000 1.873 168 A HA 0.117 4.437 4.320 -0.000 0.000 0.215 168 A C 2.393 179.879 177.584 -0.163 0.000 1.186 168 A CA 1.081 53.066 52.037 -0.087 0.000 0.616 168 A CB -0.413 18.547 19.000 -0.067 0.000 0.823 168 A HN 0.331 nan 8.150 nan 0.000 0.442 169 L N -0.871 120.300 121.223 -0.086 0.000 2.042 169 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 169 L C 2.766 179.553 176.870 -0.138 0.000 1.076 169 L CA 1.210 56.007 54.840 -0.072 0.000 0.749 169 L CB -0.513 41.587 42.059 0.069 0.000 0.893 169 L HN 0.282 nan 8.230 nan 0.000 0.432 170 R N 0.144 120.581 120.500 -0.104 0.000 2.148 170 R HA -0.037 4.303 4.340 -0.000 0.000 0.227 170 R C 2.206 178.176 176.300 -0.550 0.000 1.103 170 R CA 1.161 57.147 56.100 -0.189 0.000 0.983 170 R CB -1.004 29.356 30.300 0.100 0.000 0.874 170 R HN 0.422 nan 8.270 nan 0.000 0.451 171 G N 0.922 109.241 108.800 -0.802 0.000 2.394 171 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.214 171 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.214 171 G C 1.395 176.008 174.900 -0.480 0.000 1.176 171 G CA 0.087 44.577 45.100 -1.017 0.000 0.786 171 G HN 0.111 nan 8.290 nan 0.000 0.533 172 L N 0.759 121.699 121.223 -0.470 0.000 2.079 172 L HA -0.030 4.310 4.340 -0.000 0.000 0.210 172 L C 2.637 179.117 176.870 -0.651 0.000 1.081 172 L CA 1.839 56.319 54.840 -0.600 0.000 0.752 172 L CB -0.557 40.945 42.059 -0.928 0.000 0.896 172 L HN 0.281 nan 8.230 nan 0.000 0.433 173 E N -0.357 119.504 120.200 -0.566 0.000 2.058 173 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 173 E C 2.166 178.697 176.600 -0.115 0.000 0.997 173 E CA 2.084 58.353 56.400 -0.218 0.000 0.801 173 E CB -0.333 29.310 29.700 -0.096 0.000 0.746 173 E HN 0.581 nan 8.360 nan 0.000 0.450 174 T N -1.657 112.822 114.554 -0.125 0.000 2.915 174 T HA -0.128 4.222 4.350 -0.000 0.000 0.269 174 T C 1.895 176.591 174.700 -0.006 0.000 1.071 174 T CA 1.047 63.126 62.100 -0.035 0.000 1.132 174 T CB -0.672 68.225 68.868 0.047 0.000 0.878 174 T HN 0.240 nan 8.240 nan 0.000 0.479 175 F N 3.210 123.072 119.950 -0.148 0.000 2.113 175 F HA -0.102 4.425 4.527 -0.000 0.000 0.297 175 F C 2.679 178.405 175.800 -0.124 0.000 1.103 175 F CA 1.620 59.547 58.000 -0.121 0.000 1.248 175 F CB -0.326 38.590 39.000 -0.140 0.000 0.999 175 F HN 0.278 nan 8.300 nan 0.000 0.475 176 S N -0.368 115.417 115.700 0.143 0.000 2.442 176 S HA -0.244 4.226 4.470 -0.000 0.000 0.236 176 S C 1.693 176.263 174.600 -0.050 0.000 1.007 176 S CA 1.292 59.532 58.200 0.067 0.000 0.965 176 S CB -0.733 62.573 63.200 0.177 0.000 0.773 176 S HN 0.640 nan 8.310 nan 0.000 0.504 177 Q N 0.425 120.189 119.800 -0.059 0.000 2.311 177 Q HA 0.224 4.564 4.340 -0.000 0.000 0.203 177 Q C 2.048 177.997 176.000 -0.086 0.000 0.954 177 Q CA 0.786 56.556 55.803 -0.055 0.000 0.885 177 Q CB -0.277 28.450 28.738 -0.018 0.000 0.963 177 Q HN 0.564 nan 8.270 nan 0.000 0.471 178 L N 0.059 121.180 121.223 -0.170 0.000 2.127 178 L HA 0.004 4.344 4.340 -0.000 0.000 0.203 178 L C 0.828 177.580 176.870 -0.196 0.000 1.080 178 L CA 0.043 54.753 54.840 -0.217 0.000 0.768 178 L CB -0.012 41.841 42.059 -0.344 0.000 0.924 178 L HN -0.040 nan 8.230 nan 0.000 0.444 179 V N 0.471 120.223 119.914 -0.270 0.000 2.644 179 V HA -0.158 3.962 4.120 -0.000 0.000 0.305 179 V C -0.387 175.722 176.094 0.025 0.000 1.053 179 V CA 0.604 62.798 62.300 -0.176 0.000 1.186 179 V CB -0.542 31.115 31.823 -0.276 0.000 0.895 179 V HN 0.162 nan 8.190 nan 0.000 0.490 180 Y N 4.113 124.374 120.300 -0.064 0.000 2.588 180 Y HA 0.535 5.085 4.550 -0.000 0.000 0.343 180 Y C -0.509 175.380 175.900 -0.019 0.000 1.065 180 Y CA -1.019 57.055 58.100 -0.043 0.000 1.038 180 Y CB 1.917 40.339 38.460 -0.064 0.000 1.297 180 Y HN 0.602 nan 8.280 nan 0.000 0.467 181 Q N 3.827 123.068 119.800 -0.933 0.000 2.333 181 Q HA 0.267 4.607 4.340 -0.000 0.000 0.267 181 Q C -1.017 174.314 176.000 -1.114 0.000 1.012 181 Q CA -1.103 54.211 55.803 -0.816 0.000 0.824 181 Q CB 1.962 30.351 28.738 -0.581 0.000 1.290 181 Q HN 0.772 nan 8.270 nan 0.000 0.449 182 D N 0.271 120.349 120.400 -0.537 0.000 2.403 182 D HA 0.066 4.706 4.640 -0.000 0.000 0.278 182 D C 0.541 176.695 176.300 -0.243 0.000 1.230 182 D CA -0.412 53.434 54.000 -0.257 0.000 1.062 182 D CB 0.208 41.028 40.800 0.033 0.000 1.119 182 D HN 0.282 nan 8.370 nan 0.000 0.557 183 S N -1.629 113.937 115.700 -0.223 0.000 2.419 183 S HA -0.133 4.337 4.470 -0.000 0.000 0.233 183 S C 1.383 175.718 174.600 -0.441 0.000 1.016 183 S CA 0.825 58.797 58.200 -0.379 0.000 0.974 183 S CB -0.577 62.294 63.200 -0.548 0.000 0.786 183 S HN 0.447 nan 8.310 nan 0.000 0.492 184 Y N 0.613 120.852 120.300 -0.101 0.000 2.466 184 Y HA 0.370 4.920 4.550 -0.000 0.000 0.272 184 Y C 1.768 177.573 175.900 -0.159 0.000 1.169 184 Y CA -0.141 57.894 58.100 -0.108 0.000 1.285 184 Y CB -0.275 38.131 38.460 -0.089 0.000 1.078 184 Y HN 0.287 nan 8.280 nan 0.000 0.523 185 G N 0.378 109.103 108.800 -0.126 0.000 2.136 185 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.242 185 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.242 185 G C 0.078 174.747 174.900 -0.385 0.000 0.989 185 G CA 0.274 45.213 45.100 -0.268 0.000 0.682 185 G HN 0.266 nan 8.290 nan 0.000 0.522 186 T N 1.024 115.438 114.554 -0.233 0.000 2.832 186 T HA 0.460 4.810 4.350 -0.000 0.000 0.296 186 T C 0.363 174.953 174.700 -0.182 0.000 0.968 186 T CA -0.120 61.871 62.100 -0.182 0.000 1.107 186 T CB 0.584 69.406 68.868 -0.077 0.000 0.916 186 T HN 0.185 nan 8.240 nan 0.000 0.517 187 F N 3.158 123.161 119.950 0.088 0.000 2.613 187 F HA 0.161 4.688 4.527 -0.000 0.000 0.341 187 F C 1.499 177.386 175.800 0.145 0.000 1.288 187 F CA -0.385 57.672 58.000 0.095 0.000 1.103 187 F CB -0.877 38.228 39.000 0.176 0.000 1.423 187 F HN 0.424 nan 8.300 nan 0.000 0.651 188 T N 4.385 119.079 114.554 0.233 0.000 2.922 188 T HA 0.616 4.966 4.350 -0.000 0.000 0.285 188 T C -0.318 174.448 174.700 0.110 0.000 1.005 188 T CA -0.493 61.719 62.100 0.187 0.000 1.061 188 T CB 1.699 70.707 68.868 0.233 0.000 1.007 188 T HN 0.468 nan 8.240 nan 0.000 0.502 189 I N 2.054 122.614 120.570 -0.017 0.000 2.651 189 I HA 0.279 4.449 4.170 -0.000 0.000 0.287 189 I C -1.431 174.623 176.117 -0.106 0.000 1.244 189 I CA -0.872 60.382 61.300 -0.077 0.000 1.061 189 I CB 1.425 39.327 38.000 -0.164 0.000 1.286 189 I HN 0.426 nan 8.210 nan 0.000 0.434 190 N N 6.378 125.016 118.700 -0.103 0.000 2.440 190 N HA 0.018 4.758 4.740 -0.000 0.000 0.265 190 N C -0.281 175.177 175.510 -0.086 0.000 1.239 190 N CA 0.193 53.187 53.050 -0.094 0.000 0.909 190 N CB 0.575 39.005 38.487 -0.095 0.000 1.066 190 N HN 0.589 nan 8.380 nan 0.000 0.474 191 E N 1.723 121.884 120.200 -0.065 0.000 2.465 191 E HA 0.141 4.491 4.350 -0.000 0.000 0.260 191 E C -0.528 176.052 176.600 -0.033 0.000 0.980 191 E CA 0.297 56.673 56.400 -0.041 0.000 0.927 191 E CB 0.400 30.086 29.700 -0.025 0.000 0.934 191 E HN 0.456 nan 8.360 nan 0.000 0.459 192 S N 2.198 117.885 115.700 -0.021 0.000 2.655 192 S HA 0.431 4.901 4.470 -0.000 0.000 0.266 192 S C -1.596 173.009 174.600 0.009 0.000 1.149 192 S CA -0.190 58.002 58.200 -0.012 0.000 0.818 192 S CB 1.380 64.565 63.200 -0.026 0.000 1.130 192 S HN 0.690 nan 8.310 nan 0.000 0.476 193 T N 0.569 115.130 114.554 0.013 0.000 2.881 193 T HA 0.782 5.132 4.350 -0.000 0.000 0.290 193 T C -1.282 173.433 174.700 0.026 0.000 1.000 193 T CA -0.509 61.608 62.100 0.028 0.000 0.978 193 T CB 0.921 69.802 68.868 0.022 0.000 0.997 193 T HN 0.400 nan 8.240 nan 0.000 0.443 194 I N 3.093 123.691 120.570 0.047 0.000 2.478 194 I HA 0.473 4.643 4.170 -0.000 0.000 0.287 194 I C -1.030 175.085 176.117 -0.003 0.000 1.042 194 I CA -0.731 60.590 61.300 0.036 0.000 1.067 194 I CB 1.766 39.817 38.000 0.085 0.000 1.233 194 I HN 0.623 nan 8.210 nan 0.000 0.431 195 I N 5.667 126.201 120.570 -0.059 0.000 2.339 195 I HA 0.497 4.667 4.170 -0.000 0.000 0.290 195 I C -0.437 175.548 176.117 -0.220 0.000 0.994 195 I CA -0.065 61.158 61.300 -0.129 0.000 1.191 195 I CB 1.117 39.067 38.000 -0.084 0.000 1.343 195 I HN 0.418 nan 8.210 nan 0.000 0.458 196 D N 3.618 123.752 120.400 -0.444 0.000 2.732 196 D HA 0.686 5.326 4.640 -0.000 0.000 0.229 196 D C -1.390 174.661 176.300 -0.414 0.000 1.152 196 D CA -0.344 53.385 54.000 -0.453 0.000 0.854 196 D CB 2.117 42.587 40.800 -0.550 0.000 1.590 196 D HN 0.348 nan 8.370 nan 0.000 0.468 197 S N 2.151 117.669 115.700 -0.303 0.000 2.543 197 S HA 0.609 5.079 4.470 -0.000 0.000 0.271 197 S C -2.907 171.288 174.600 -0.674 0.000 1.148 197 S CA -1.129 56.862 58.200 -0.349 0.000 0.914 197 S CB 1.615 64.666 63.200 -0.249 0.000 1.096 197 S HN 0.283 nan 8.310 nan 0.000 0.471 198 P HA 0.218 nan 4.420 nan 0.000 0.271 198 P C 0.297 177.156 177.300 -0.735 0.000 1.216 198 P CA -0.312 61.945 63.100 -1.405 0.000 0.776 198 P CB 0.756 31.794 31.700 -1.105 0.000 0.881 199 R N 2.107 122.195 120.500 -0.687 0.000 2.055 199 R HA 0.025 4.365 4.340 -0.000 0.000 0.228 199 R C 0.110 176.040 176.300 -0.617 0.000 1.143 199 R CA 1.127 56.846 56.100 -0.635 0.000 0.945 199 R CB -0.094 29.774 30.300 -0.720 0.000 0.841 199 R HN 0.366 nan 8.270 nan 0.000 0.429 200 F N 0.260 120.164 119.950 -0.077 0.000 2.444 200 F HA 0.223 4.750 4.527 -0.000 0.000 0.342 200 F C 0.963 176.757 175.800 -0.010 0.000 1.121 200 F CA -0.947 57.061 58.000 0.013 0.000 0.997 200 F CB 2.141 41.208 39.000 0.111 0.000 1.130 200 F HN 0.015 nan 8.300 nan 0.000 0.454 201 S N 0.403 116.210 115.700 0.178 0.000 2.701 201 S HA -0.007 4.463 4.470 -0.000 0.000 0.220 201 S C 0.183 174.864 174.600 0.134 0.000 0.954 201 S CA 0.241 58.502 58.200 0.102 0.000 0.936 201 S CB -0.693 62.541 63.200 0.058 0.000 0.777 201 S HN 0.681 nan 8.310 nan 0.000 0.518 202 H N 1.492 120.605 119.070 0.072 0.000 2.716 202 H HA 0.424 4.980 4.556 -0.000 0.000 0.260 202 H C -1.112 174.248 175.328 0.053 0.000 1.280 202 H CA -0.446 55.610 56.048 0.014 0.000 1.506 202 H CB 0.294 30.001 29.762 -0.091 0.000 1.514 202 H HN 0.325 nan 8.280 nan 0.000 0.502 203 R N 2.542 123.061 120.500 0.033 0.000 2.310 203 R HA 0.456 4.796 4.340 -0.000 0.000 0.316 203 R C 0.111 176.566 176.300 0.259 0.000 1.004 203 R CA -0.693 55.486 56.100 0.130 0.000 0.900 203 R CB 1.790 32.108 30.300 0.030 0.000 1.152 203 R HN 0.470 nan 8.270 nan 0.000 0.513 204 G N 2.351 111.298 108.800 0.245 0.000 2.568 204 G HA2 0.665 4.625 3.960 -0.000 0.000 0.313 204 G HA3 0.665 4.625 3.960 -0.000 0.000 0.313 204 G C -0.844 174.084 174.900 0.046 0.000 1.227 204 G CA -0.478 44.711 45.100 0.147 0.000 0.979 204 G HN 0.255 nan 8.290 nan 0.000 0.486 205 I N 0.498 120.994 120.570 -0.123 0.000 2.545 205 I HA 0.368 4.538 4.170 -0.000 0.000 0.292 205 I C -0.688 175.325 176.117 -0.173 0.000 1.040 205 I CA -0.622 60.503 61.300 -0.291 0.000 1.068 205 I CB 1.769 39.464 38.000 -0.508 0.000 1.251 205 I HN 0.369 nan 8.210 nan 0.000 0.424 206 L N 7.649 128.739 121.223 -0.221 0.000 2.264 206 L HA 0.605 4.945 4.340 -0.000 0.000 0.289 206 L C -0.482 176.170 176.870 -0.364 0.000 1.044 206 L CA -0.476 54.222 54.840 -0.237 0.000 0.807 206 L CB 0.882 42.759 42.059 -0.302 0.000 1.192 206 L HN 0.564 nan 8.230 nan 0.000 0.425 207 I N 1.052 121.450 120.570 -0.287 0.000 2.493 207 I HA 0.524 4.694 4.170 -0.000 0.000 0.298 207 I C -1.171 174.850 176.117 -0.161 0.000 0.998 207 I CA -0.691 60.463 61.300 -0.243 0.000 1.137 207 I CB 1.912 39.777 38.000 -0.225 0.000 1.310 207 I HN 0.439 nan 8.210 nan 0.000 0.445 208 D N 4.328 124.653 120.400 -0.126 0.000 2.441 208 D HA 0.244 4.884 4.640 -0.000 0.000 0.231 208 D C 0.531 176.907 176.300 0.127 0.000 1.073 208 D CA -0.348 53.639 54.000 -0.022 0.000 0.850 208 D CB 1.574 42.351 40.800 -0.038 0.000 1.062 208 D HN 0.763 nan 8.370 nan 0.000 0.524 209 T N -0.382 114.312 114.554 0.232 0.000 3.176 209 T HA 0.129 4.479 4.350 -0.000 0.000 0.263 209 T C 1.183 176.073 174.700 0.318 0.000 1.021 209 T CA -0.159 62.139 62.100 0.330 0.000 0.905 209 T CB 0.366 69.574 68.868 0.568 0.000 1.057 209 T HN 0.128 nan 8.240 nan 0.000 0.558 210 S N 0.647 116.482 115.700 0.225 0.000 2.566 210 S HA 0.202 4.672 4.470 -0.000 0.000 0.234 210 S C 1.957 176.642 174.600 0.140 0.000 1.075 210 S CA -0.205 58.083 58.200 0.148 0.000 0.926 210 S CB 0.000 63.271 63.200 0.118 0.000 0.811 210 S HN 0.295 nan 8.310 nan 0.000 0.518 211 R N 0.470 121.052 120.500 0.137 0.000 2.189 211 R HA 0.259 4.599 4.340 -0.000 0.000 0.223 211 R C -0.155 176.103 176.300 -0.069 0.000 1.092 211 R CA 0.963 57.092 56.100 0.047 0.000 0.989 211 R CB -0.200 30.111 30.300 0.019 0.000 0.876 211 R HN 0.517 nan 8.270 nan 0.000 0.457 212 H N -2.744 116.491 119.070 0.275 0.000 3.026 212 H HA 0.155 4.711 4.556 -0.000 0.000 0.352 212 H C -1.715 173.819 175.328 0.344 0.000 1.090 212 H CA -0.920 55.294 56.048 0.276 0.000 1.268 212 H CB 1.138 30.983 29.762 0.139 0.000 1.816 212 H HN -0.027 nan 8.280 nan 0.000 0.518 213 Y N 3.977 124.535 120.300 0.431 0.000 2.465 213 Y HA 0.278 4.827 4.550 -0.000 0.000 0.331 213 Y C -0.960 175.117 175.900 0.295 0.000 1.102 213 Y CA -0.203 58.127 58.100 0.384 0.000 1.358 213 Y CB 0.341 39.099 38.460 0.496 0.000 1.213 213 Y HN 0.455 nan 8.280 nan 0.000 0.525 214 L N 9.702 130.782 121.223 -0.239 0.000 2.287 214 L HA 0.428 4.768 4.340 -0.000 0.000 0.287 214 L C -2.231 174.410 176.870 -0.381 0.000 1.022 214 L CA -2.308 52.421 54.840 -0.184 0.000 0.814 214 L CB 1.315 43.327 42.059 -0.078 0.000 1.217 214 L HN 0.568 nan 8.230 nan 0.000 0.420 215 P HA -0.029 nan 4.420 nan 0.000 0.267 215 P C 1.053 178.322 177.300 -0.051 0.000 1.200 215 P CA -0.222 62.847 63.100 -0.050 0.000 0.772 215 P CB 0.802 32.516 31.700 0.023 0.000 0.855 216 V N 2.857 122.787 119.914 0.027 0.000 2.469 216 V HA -0.282 3.838 4.120 -0.000 0.000 0.251 216 V C 2.346 178.356 176.094 -0.139 0.000 1.064 216 V CA 2.073 64.348 62.300 -0.041 0.000 1.066 216 V CB -1.019 30.815 31.823 0.018 0.000 0.667 216 V HN 0.685 nan 8.190 nan 0.000 0.461 217 K N 0.188 120.526 120.400 -0.103 0.000 2.009 217 K HA -0.191 4.129 4.320 -0.000 0.000 0.210 217 K C 2.176 178.687 176.600 -0.148 0.000 1.049 217 K CA 2.043 58.251 56.287 -0.132 0.000 0.929 217 K CB -0.288 32.164 32.500 -0.081 0.000 0.714 217 K HN 0.451 nan 8.250 nan 0.000 0.440 218 I N 0.917 121.418 120.570 -0.115 0.000 2.614 218 I HA -0.205 3.965 4.170 -0.000 0.000 0.258 218 I C 1.723 177.754 176.117 -0.142 0.000 1.189 218 I CA 0.869 62.106 61.300 -0.105 0.000 1.462 218 I CB 0.093 38.050 38.000 -0.072 0.000 1.092 218 I HN 0.284 nan 8.210 nan 0.000 0.442 219 I N 0.353 120.800 120.570 -0.205 0.000 2.315 219 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 219 I C 2.230 178.199 176.117 -0.246 0.000 1.117 219 I CA 1.162 62.294 61.300 -0.279 0.000 1.404 219 I CB -0.230 37.508 38.000 -0.435 0.000 1.071 219 I HN 0.234 nan 8.210 nan 0.000 0.419 220 L N 0.388 121.438 121.223 -0.288 0.000 2.072 220 L HA -0.154 4.186 4.340 -0.000 0.000 0.205 220 L C 2.454 179.225 176.870 -0.165 0.000 1.079 220 L CA 1.295 55.918 54.840 -0.361 0.000 0.752 220 L CB -0.643 40.974 42.059 -0.736 0.000 0.906 220 L HN 0.154 nan 8.230 nan 0.000 0.436 221 K N -0.329 119.972 120.400 -0.165 0.000 2.147 221 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 221 K C 2.071 178.562 176.600 -0.182 0.000 1.049 221 K CA 1.621 57.815 56.287 -0.156 0.000 0.936 221 K CB -0.250 32.179 32.500 -0.118 0.000 0.722 221 K HN 0.289 nan 8.250 nan 0.000 0.446 222 T N 1.922 116.428 114.554 -0.079 0.000 2.770 222 T HA -0.044 4.306 4.350 -0.000 0.000 0.263 222 T C 1.872 176.558 174.700 -0.024 0.000 1.039 222 T CA 0.812 62.956 62.100 0.073 0.000 1.142 222 T CB -0.135 68.779 68.868 0.078 0.000 0.868 222 T HN 0.099 nan 8.240 nan 0.000 0.435 223 L N 0.992 122.186 121.223 -0.048 0.000 2.042 223 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 223 L C 2.481 179.272 176.870 -0.132 0.000 1.076 223 L CA 1.206 56.040 54.840 -0.010 0.000 0.749 223 L CB -0.635 41.502 42.059 0.129 0.000 0.893 223 L HN 0.193 nan 8.230 nan 0.000 0.432 224 D N 0.327 120.576 120.400 -0.251 0.000 2.087 224 D HA -0.190 4.450 4.640 -0.000 0.000 0.192 224 D C 2.212 177.764 176.300 -1.246 0.000 0.993 224 D CA 1.705 55.305 54.000 -0.666 0.000 0.828 224 D CB -0.188 40.204 40.800 -0.679 0.000 0.968 224 D HN 0.304 nan 8.370 nan 0.000 0.448 225 A N 0.270 122.383 122.820 -1.179 0.000 2.076 225 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 225 A C 2.230 179.224 177.584 -0.983 0.000 1.160 225 A CA 1.228 52.431 52.037 -1.389 0.000 0.653 225 A CB -0.537 17.236 19.000 -2.044 0.000 0.801 225 A HN 0.190 nan 8.150 nan 0.000 0.455 226 M N -0.919 118.429 119.600 -0.419 0.000 2.156 226 M HA -0.077 4.403 4.480 -0.000 0.000 0.264 226 M C 2.502 178.904 176.300 0.170 0.000 1.067 226 M CA 1.380 56.742 55.300 0.103 0.000 1.131 226 M CB -0.292 32.413 32.600 0.174 0.000 1.368 226 M HN 0.440 nan 8.290 nan 0.000 0.416 227 A N -0.190 122.660 122.820 0.050 0.000 2.015 227 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 227 A C 1.676 179.413 177.584 0.256 0.000 1.163 227 A CA 1.143 53.268 52.037 0.147 0.000 0.646 227 A CB -0.748 18.332 19.000 0.134 0.000 0.806 227 A HN 0.395 nan 8.150 nan 0.000 0.448 228 F N 0.358 120.222 119.950 -0.144 0.000 2.407 228 F HA -0.001 4.526 4.527 -0.000 0.000 0.299 228 F C 1.743 177.545 175.800 0.003 0.000 1.097 228 F CA 0.466 58.370 58.000 -0.160 0.000 1.422 228 F CB -0.425 38.376 39.000 -0.331 0.000 1.067 228 F HN 0.337 nan 8.300 nan 0.000 0.539 229 N N -0.216 118.635 118.700 0.252 0.000 2.200 229 N HA 0.024 4.764 4.740 -0.000 0.000 0.224 229 N C -0.198 175.351 175.510 0.066 0.000 1.179 229 N CA 0.036 53.261 53.050 0.293 0.000 0.877 229 N CB 0.554 39.379 38.487 0.564 0.000 1.072 229 N HN 0.069 nan 8.380 nan 0.000 0.519 230 K N 0.613 121.014 120.400 0.001 0.000 3.162 230 K HA -0.157 4.163 4.320 -0.000 0.000 0.268 230 K C -1.026 175.530 176.600 -0.073 0.000 1.062 230 K CA 0.527 56.710 56.287 -0.173 0.000 0.769 230 K CB -1.702 30.379 32.500 -0.699 0.000 1.274 230 K HN 0.136 nan 8.250 nan 0.000 0.478 231 F N 1.175 121.189 119.950 0.107 0.000 2.377 231 F HA 0.209 4.736 4.527 -0.000 0.000 0.328 231 F C 1.621 177.475 175.800 0.090 0.000 1.094 231 F CA -0.400 57.674 58.000 0.123 0.000 1.093 231 F CB 0.744 39.829 39.000 0.142 0.000 1.214 231 F HN 0.179 nan 8.300 nan 0.000 0.518 232 N N 0.027 118.868 118.700 0.234 0.000 2.160 232 N HA 0.145 4.885 4.740 -0.000 0.000 0.226 232 N C -1.266 174.257 175.510 0.022 0.000 1.256 232 N CA 0.213 53.330 53.050 0.112 0.000 0.890 232 N CB 0.559 39.095 38.487 0.080 0.000 1.116 232 N HN 0.204 nan 8.380 nan 0.000 0.517 233 V N 1.588 121.515 119.914 0.023 0.000 2.612 233 V HA 0.350 4.470 4.120 -0.000 0.000 0.301 233 V C -1.204 174.897 176.094 0.012 0.000 1.059 233 V CA -0.901 61.366 62.300 -0.054 0.000 0.886 233 V CB 2.304 33.938 31.823 -0.313 0.000 1.007 233 V HN 0.130 nan 8.190 nan 0.000 0.426 234 L N 4.885 126.130 121.223 0.037 0.000 2.287 234 L HA 0.428 4.768 4.340 -0.000 0.000 0.280 234 L C 0.269 177.190 176.870 0.086 0.000 1.055 234 L CA 0.144 54.999 54.840 0.025 0.000 0.863 234 L CB 0.177 42.234 42.059 -0.003 0.000 1.245 234 L HN 0.754 nan 8.230 nan 0.000 0.432 235 H N 4.901 123.947 119.070 -0.039 0.000 3.291 235 H HA -0.041 4.515 4.556 -0.000 0.000 0.256 235 H C -1.083 174.248 175.328 0.005 0.000 1.315 235 H CA -0.368 55.662 56.048 -0.029 0.000 1.521 235 H CB 0.266 29.988 29.762 -0.066 0.000 1.621 235 H HN 0.733 nan 8.280 nan 0.000 0.498 236 W N 8.101 129.183 121.300 -0.363 0.000 2.318 236 W HA 0.077 4.737 4.660 -0.000 0.000 0.362 236 W C -0.301 175.917 176.519 -0.501 0.000 0.978 236 W CA -1.068 56.052 57.345 -0.376 0.000 1.509 236 W CB -0.717 28.588 29.460 -0.259 0.000 1.437 236 W HN 0.592 nan 8.180 nan 0.000 0.361 237 H N 6.588 125.438 119.070 -0.367 0.000 3.392 237 H HA -0.012 4.544 4.556 -0.000 0.000 0.253 237 H C 1.383 176.486 175.328 -0.375 0.000 1.682 237 H CA 0.610 56.392 56.048 -0.443 0.000 1.535 237 H CB -0.018 29.516 29.762 -0.380 0.000 1.823 237 H HN 0.654 nan 8.280 nan 0.000 0.576 238 I N 3.851 123.968 120.570 -0.754 0.000 2.353 238 I HA -0.142 4.028 4.170 -0.000 0.000 0.248 238 I C 0.195 176.019 176.117 -0.488 0.000 1.119 238 I CA 0.651 61.445 61.300 -0.844 0.000 1.417 238 I CB 0.438 37.520 38.000 -1.530 0.000 1.078 238 I HN 0.255 nan 8.210 nan 0.000 0.421 239 V N -2.007 117.563 119.914 -0.574 0.000 3.001 239 V HA 0.652 4.772 4.120 -0.000 0.000 0.314 239 V C -0.812 175.275 176.094 -0.011 0.000 1.099 239 V CA -0.744 61.322 62.300 -0.390 0.000 0.989 239 V CB 1.902 33.208 31.823 -0.863 0.000 1.040 239 V HN 0.141 nan 8.190 nan 0.000 0.434 240 D N 0.042 120.538 120.400 0.160 0.000 3.376 240 D HA 0.201 4.841 4.640 -0.000 0.000 0.344 240 D C 0.077 176.535 176.300 0.262 0.000 1.428 240 D CA -0.043 54.140 54.000 0.304 0.000 0.949 240 D CB 1.755 42.764 40.800 0.348 0.000 1.451 240 D HN 0.545 nan 8.370 nan 0.000 0.578 241 D N -0.172 120.345 120.400 0.194 0.000 2.077 241 D HA -0.126 4.514 4.640 -0.000 0.000 0.196 241 D C 1.741 178.065 176.300 0.038 0.000 0.986 241 D CA 1.533 55.589 54.000 0.094 0.000 0.829 241 D CB 0.045 40.848 40.800 0.005 0.000 0.983 241 D HN 0.236 nan 8.370 nan 0.000 0.453 242 Q N 0.369 120.171 119.800 0.004 0.000 2.135 242 Q HA -0.060 4.280 4.340 -0.000 0.000 0.204 242 Q C 0.729 176.563 176.000 -0.277 0.000 0.981 242 Q CA 0.850 56.614 55.803 -0.064 0.000 0.856 242 Q CB 0.007 28.747 28.738 0.003 0.000 0.902 242 Q HN 0.293 nan 8.270 nan 0.000 0.425 243 S N -2.438 113.095 115.700 -0.278 0.000 2.615 243 S HA 0.582 5.052 4.470 -0.000 0.000 0.269 243 S C -1.511 173.043 174.600 -0.077 0.000 1.161 243 S CA -1.044 56.916 58.200 -0.400 0.000 0.817 243 S CB 0.619 63.169 63.200 -1.083 0.000 1.131 243 S HN 0.131 nan 8.310 nan 0.000 0.467 244 F N 2.592 122.434 119.950 -0.179 0.000 2.809 244 F HA 0.495 5.022 4.527 -0.000 0.000 0.369 244 F C -2.260 173.531 175.800 -0.015 0.000 1.225 244 F CA -1.929 56.011 58.000 -0.099 0.000 1.201 244 F CB 2.175 41.069 39.000 -0.177 0.000 1.527 244 F HN 0.450 nan 8.300 nan 0.000 0.565 245 P HA -0.126 nan 4.420 nan 0.000 0.231 245 P C 0.059 177.547 177.300 0.313 0.000 1.168 245 P CA 0.628 63.860 63.100 0.219 0.000 0.779 245 P CB -0.149 31.729 31.700 0.298 0.000 0.844 246 Y N 2.548 122.929 120.300 0.134 0.000 2.605 246 Y HA 0.091 4.641 4.550 -0.000 0.000 0.336 246 Y C 0.767 176.885 175.900 0.364 0.000 1.111 246 Y CA -0.248 57.977 58.100 0.209 0.000 1.422 246 Y CB 0.068 38.547 38.460 0.031 0.000 1.193 246 Y HN -0.087 nan 8.280 nan 0.000 0.526 247 Q N 5.326 124.967 119.800 -0.264 0.000 2.295 247 Q HA 0.222 4.561 4.340 -0.000 0.000 0.259 247 Q C -0.750 174.956 176.000 -0.490 0.000 0.976 247 Q CA -0.339 55.331 55.803 -0.222 0.000 0.923 247 Q CB 0.755 29.419 28.738 -0.123 0.000 1.185 247 Q HN 0.730 nan 8.270 nan 0.000 0.410 248 S N 3.953 119.587 115.700 -0.111 0.000 2.508 248 S HA 0.324 4.794 4.470 -0.000 0.000 0.284 248 S C 1.030 175.633 174.600 0.005 0.000 1.192 248 S CA -0.634 57.588 58.200 0.036 0.000 1.070 248 S CB 0.670 64.113 63.200 0.406 0.000 1.004 248 S HN 0.777 nan 8.310 nan 0.000 0.493 249 I N 3.299 123.853 120.570 -0.028 0.000 2.277 249 I HA -0.097 4.073 4.170 -0.000 0.000 0.243 249 I C 2.601 178.671 176.117 -0.078 0.000 1.094 249 I CA 1.408 62.676 61.300 -0.053 0.000 1.393 249 I CB -0.565 37.396 38.000 -0.064 0.000 1.078 249 I HN 0.811 nan 8.210 nan 0.000 0.417 250 T N -1.534 112.950 114.554 -0.117 0.000 2.942 250 T HA -0.031 4.319 4.350 -0.000 0.000 0.265 250 T C 0.565 174.952 174.700 -0.521 0.000 1.062 250 T CA 0.711 62.610 62.100 -0.335 0.000 1.139 250 T CB -0.290 68.316 68.868 -0.437 0.000 0.883 250 T HN 0.072 nan 8.240 nan 0.000 0.468 251 F N 1.810 121.813 119.950 0.090 0.000 2.550 251 F HA 0.440 4.967 4.527 -0.000 0.000 0.348 251 F C -2.356 173.472 175.800 0.048 0.000 1.219 251 F CA -2.830 55.234 58.000 0.106 0.000 1.203 251 F CB 1.808 40.937 39.000 0.214 0.000 1.436 251 F HN -0.015 nan 8.300 nan 0.000 0.541 252 P HA -0.070 nan 4.420 nan 0.000 0.239 252 P C 1.044 178.365 177.300 0.034 0.000 1.184 252 P CA 0.964 64.097 63.100 0.054 0.000 0.760 252 P CB 0.333 32.042 31.700 0.015 0.000 0.884 253 E N -0.936 119.295 120.200 0.052 0.000 2.447 253 E HA 0.111 4.461 4.350 -0.000 0.000 0.195 253 E C 1.831 178.360 176.600 -0.118 0.000 1.028 253 E CA 0.178 56.568 56.400 -0.017 0.000 0.876 253 E CB -0.294 29.407 29.700 0.001 0.000 0.885 253 E HN 0.341 nan 8.360 nan 0.000 0.500 254 L N 1.078 122.196 121.223 -0.176 0.000 2.017 254 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 254 L C 2.453 179.038 176.870 -0.475 0.000 1.073 254 L CA 1.750 56.265 54.840 -0.542 0.000 0.745 254 L CB -0.397 41.155 42.059 -0.844 0.000 0.894 254 L HN 0.117 nan 8.230 nan 0.000 0.432 255 S N -1.723 113.889 115.700 -0.148 0.000 2.478 255 S HA -0.001 4.469 4.470 -0.000 0.000 0.222 255 S C 1.602 176.193 174.600 -0.015 0.000 1.008 255 S CA 0.222 58.441 58.200 0.031 0.000 0.928 255 S CB -0.283 62.999 63.200 0.136 0.000 0.781 255 S HN 0.311 nan 8.310 nan 0.000 0.518 256 N N 1.823 120.497 118.700 -0.043 0.000 2.381 256 N HA 0.112 4.852 4.740 -0.000 0.000 0.182 256 N C 1.205 176.687 175.510 -0.048 0.000 1.025 256 N CA 0.991 54.020 53.050 -0.036 0.000 0.888 256 N CB -0.095 38.374 38.487 -0.031 0.000 0.965 256 N HN 0.401 nan 8.380 nan 0.000 0.438 257 K N -1.869 118.483 120.400 -0.079 0.000 2.464 257 K HA 0.333 4.653 4.320 -0.000 0.000 0.206 257 K C 1.499 178.043 176.600 -0.093 0.000 1.186 257 K CA 0.176 56.414 56.287 -0.083 0.000 0.990 257 K CB 0.500 32.940 32.500 -0.100 0.000 1.003 257 K HN 0.058 nan 8.250 nan 0.000 0.562 258 G N 0.358 109.090 108.800 -0.114 0.000 2.744 258 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.211 258 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.211 258 G C 0.504 175.389 174.900 -0.026 0.000 1.146 258 G CA 0.216 45.266 45.100 -0.083 0.000 0.787 258 G HN 0.304 nan 8.290 nan 0.000 0.534 259 S N -0.871 114.822 115.700 -0.011 0.000 2.624 259 S HA 0.284 4.754 4.470 -0.000 0.000 0.263 259 S C 0.962 175.514 174.600 -0.080 0.000 1.287 259 S CA -0.527 57.653 58.200 -0.033 0.000 0.990 259 S CB 0.702 63.917 63.200 0.025 0.000 0.950 259 S HN 0.135 nan 8.310 nan 0.000 0.561 260 Y N 1.300 121.564 120.300 -0.061 0.000 2.224 260 Y HA 0.077 4.627 4.550 -0.000 0.000 0.289 260 Y C 1.666 177.478 175.900 -0.146 0.000 1.146 260 Y CA 1.144 59.146 58.100 -0.163 0.000 1.182 260 Y CB -0.476 37.761 38.460 -0.372 0.000 0.983 260 Y HN 0.989 nan 8.280 nan 0.000 0.524 261 S N -2.788 112.950 115.700 0.064 0.000 2.615 261 S HA 0.229 4.699 4.470 -0.000 0.000 0.268 261 S C 0.133 174.759 174.600 0.043 0.000 1.146 261 S CA -0.758 57.476 58.200 0.057 0.000 0.818 261 S CB 0.254 63.505 63.200 0.086 0.000 1.111 261 S HN 0.037 nan 8.310 nan 0.000 0.465 262 L N 1.647 122.879 121.223 0.014 0.000 2.187 262 L HA -0.100 4.240 4.340 -0.000 0.000 0.213 262 L C 2.806 179.645 176.870 -0.052 0.000 1.100 262 L CA 1.754 56.585 54.840 -0.015 0.000 0.765 262 L CB -0.741 41.309 42.059 -0.014 0.000 0.904 262 L HN 0.931 nan 8.230 nan 0.000 0.437 263 S N -2.391 113.274 115.700 -0.058 0.000 2.436 263 S HA -0.100 4.370 4.470 -0.000 0.000 0.228 263 S C 1.161 175.499 174.600 -0.436 0.000 1.014 263 S CA 0.288 58.380 58.200 -0.178 0.000 0.950 263 S CB -0.376 62.724 63.200 -0.166 0.000 0.784 263 S HN 0.442 nan 8.310 nan 0.000 0.504 264 H N 1.245 120.027 119.070 -0.480 0.000 2.680 264 H HA 0.559 5.114 4.556 -0.000 0.000 0.224 264 H C -0.874 174.030 175.328 -0.706 0.000 1.866 264 H CA -0.069 55.350 56.048 -1.047 0.000 1.302 264 H CB -0.142 29.247 29.762 -0.621 0.000 1.709 264 H HN 0.170 nan 8.280 nan 0.000 0.537 265 V N 1.851 121.508 119.914 -0.428 0.000 2.925 265 V HA 0.163 4.283 4.120 -0.000 0.000 0.311 265 V C -1.001 175.065 176.094 -0.047 0.000 1.104 265 V CA -0.932 61.294 62.300 -0.122 0.000 0.954 265 V CB 2.466 34.266 31.823 -0.040 0.000 1.022 265 V HN 0.330 nan 8.190 nan 0.000 0.427 266 Y N 2.016 122.483 120.300 0.278 0.000 2.434 266 Y HA 0.472 5.022 4.550 -0.000 0.000 0.341 266 Y C 1.114 177.066 175.900 0.086 0.000 0.965 266 Y CA -0.739 57.506 58.100 0.241 0.000 1.205 266 Y CB 1.233 39.900 38.460 0.346 0.000 1.121 266 Y HN 0.769 nan 8.280 nan 0.000 0.507 267 T N 0.566 115.238 114.554 0.197 0.000 2.813 267 T HA 0.139 4.489 4.350 -0.000 0.000 0.297 267 T C -1.756 172.973 174.700 0.048 0.000 1.036 267 T CA -1.672 60.472 62.100 0.073 0.000 1.044 267 T CB 1.129 70.030 68.868 0.056 0.000 0.993 267 T HN 0.269 nan 8.240 nan 0.000 0.535 268 P HA -0.125 nan 4.420 nan 0.000 0.217 268 P C 1.430 178.734 177.300 0.006 0.000 1.151 268 P CA 1.153 64.235 63.100 -0.031 0.000 0.849 268 P CB -0.043 31.633 31.700 -0.040 0.000 0.787 269 N N -1.011 117.705 118.700 0.027 0.000 2.250 269 N HA -0.117 4.623 4.740 -0.000 0.000 0.181 269 N C 1.276 176.824 175.510 0.065 0.000 1.017 269 N CA 1.168 54.241 53.050 0.038 0.000 0.866 269 N CB -0.680 37.827 38.487 0.034 0.000 0.985 269 N HN -0.096 nan 8.380 nan 0.000 0.429 270 D N -0.334 120.127 120.400 0.102 0.000 2.104 270 D HA -0.119 4.521 4.640 -0.000 0.000 0.194 270 D C 1.975 178.363 176.300 0.146 0.000 0.994 270 D CA 0.959 55.049 54.000 0.150 0.000 0.830 270 D CB -0.348 40.621 40.800 0.281 0.000 0.959 270 D HN 0.095 nan 8.370 nan 0.000 0.452 271 V N 0.604 120.620 119.914 0.169 0.000 2.307 271 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 271 V C 2.532 178.669 176.094 0.071 0.000 1.045 271 V CA 1.473 63.880 62.300 0.178 0.000 1.024 271 V CB -0.437 31.447 31.823 0.101 0.000 0.651 271 V HN 0.122 nan 8.190 nan 0.000 0.449 272 R N -0.456 120.062 120.500 0.031 0.000 2.096 272 R HA -0.170 4.169 4.340 -0.000 0.000 0.235 272 R C 2.335 178.681 176.300 0.077 0.000 1.127 272 R CA 1.905 58.024 56.100 0.031 0.000 0.968 272 R CB -0.235 30.081 30.300 0.027 0.000 0.861 272 R HN 0.517 nan 8.270 nan 0.000 0.440 273 M N 0.079 119.722 119.600 0.071 0.000 2.099 273 M HA -0.139 4.341 4.480 -0.000 0.000 0.262 273 M C 1.846 178.201 176.300 0.091 0.000 1.067 273 M CA 1.499 56.844 55.300 0.075 0.000 1.124 273 M CB 0.150 32.771 32.600 0.035 0.000 1.353 273 M HN 0.055 nan 8.290 nan 0.000 0.410 274 V N 1.021 120.961 119.914 0.045 0.000 2.469 274 V HA -0.295 3.825 4.120 -0.000 0.000 0.251 274 V C 2.241 178.412 176.094 0.128 0.000 1.064 274 V CA 1.744 64.052 62.300 0.014 0.000 1.066 274 V CB -0.763 30.979 31.823 -0.135 0.000 0.667 274 V HN 0.510 nan 8.190 nan 0.000 0.461 275 I N -0.491 120.175 120.570 0.159 0.000 2.202 275 I HA -0.133 4.037 4.170 -0.000 0.000 0.242 275 I C 2.549 178.830 176.117 0.274 0.000 1.091 275 I CA 1.236 62.668 61.300 0.219 0.000 1.368 275 I CB -0.420 37.681 38.000 0.169 0.000 1.058 275 I HN 0.243 nan 8.210 nan 0.000 0.410 276 E N -0.017 120.326 120.200 0.238 0.000 2.274 276 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 276 E C 1.812 178.518 176.600 0.178 0.000 0.996 276 E CA 0.995 57.518 56.400 0.204 0.000 0.840 276 E CB -0.146 29.650 29.700 0.159 0.000 0.772 276 E HN 0.550 nan 8.360 nan 0.000 0.491 277 Y N 0.569 120.909 120.300 0.067 0.000 2.420 277 Y HA 0.043 4.593 4.550 -0.000 0.000 0.292 277 Y C 2.113 178.043 175.900 0.050 0.000 1.119 277 Y CA 1.048 59.171 58.100 0.038 0.000 1.229 277 Y CB 0.152 38.613 38.460 0.002 0.000 1.026 277 Y HN -0.001 nan 8.280 nan 0.000 0.554 278 A N -0.134 122.795 122.820 0.182 0.000 2.030 278 A HA 0.004 4.324 4.320 -0.000 0.000 0.215 278 A C 2.235 179.896 177.584 0.129 0.000 1.164 278 A CA 0.750 52.866 52.037 0.133 0.000 0.697 278 A CB -0.480 18.614 19.000 0.157 0.000 0.827 278 A HN 0.413 nan 8.150 nan 0.000 0.457 279 R N -0.027 120.572 120.500 0.165 0.000 2.075 279 R HA -0.017 4.323 4.340 -0.000 0.000 0.232 279 R C 1.610 178.004 176.300 0.157 0.000 1.126 279 R CA 1.306 57.515 56.100 0.182 0.000 0.963 279 R CB -0.369 29.999 30.300 0.114 0.000 0.858 279 R HN 0.510 nan 8.270 nan 0.000 0.435 280 L N 0.002 121.252 121.223 0.046 0.000 2.353 280 L HA -0.102 4.238 4.340 -0.000 0.000 0.220 280 L C 1.680 178.564 176.870 0.023 0.000 1.133 280 L CA 1.168 56.003 54.840 -0.008 0.000 0.798 280 L CB -0.098 41.901 42.059 -0.099 0.000 0.922 280 L HN 0.136 nan 8.230 nan 0.000 0.445 281 R N -0.506 120.023 120.500 0.048 0.000 2.509 281 R HA 0.218 4.558 4.340 -0.000 0.000 0.300 281 R C 1.047 177.453 176.300 0.176 0.000 0.985 281 R CA 0.434 56.584 56.100 0.084 0.000 1.092 281 R CB 0.725 31.031 30.300 0.009 0.000 1.237 281 R HN 0.243 nan 8.270 nan 0.000 0.546 282 G N 1.807 110.773 108.800 0.277 0.000 2.225 282 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.267 282 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.267 282 G C 0.073 175.030 174.900 0.094 0.000 1.024 282 G CA 0.167 45.454 45.100 0.312 0.000 0.784 282 G HN 0.287 nan 8.290 nan 0.000 0.507 283 I N 0.083 120.713 120.570 0.100 0.000 2.359 283 I HA 0.386 4.556 4.170 -0.000 0.000 0.294 283 I C 0.951 177.113 176.117 0.074 0.000 0.987 283 I CA -0.929 60.418 61.300 0.079 0.000 1.225 283 I CB 1.177 39.236 38.000 0.097 0.000 1.366 283 I HN 0.018 nan 8.210 nan 0.000 0.466 284 R N 4.484 125.008 120.500 0.040 0.000 2.441 284 R HA 0.433 4.772 4.340 -0.000 0.000 0.284 284 R C -0.870 175.495 176.300 0.108 0.000 1.070 284 R CA -0.586 55.554 56.100 0.067 0.000 1.047 284 R CB 1.252 31.563 30.300 0.018 0.000 1.016 284 R HN 0.360 nan 8.270 nan 0.000 0.477 285 V N 5.151 125.168 119.914 0.171 0.000 2.304 285 V HA 0.128 4.248 4.120 -0.000 0.000 0.269 285 V C -0.537 175.676 176.094 0.200 0.000 1.036 285 V CA -0.593 61.841 62.300 0.223 0.000 0.840 285 V CB 0.983 33.015 31.823 0.348 0.000 1.036 285 V HN 0.443 nan 8.190 nan 0.000 0.466 286 L N 9.961 131.269 121.223 0.142 0.000 2.270 286 L HA 0.606 4.946 4.340 -0.000 0.000 0.286 286 L C -2.208 174.645 176.870 -0.028 0.000 1.059 286 L CA -1.758 53.144 54.840 0.104 0.000 0.839 286 L CB 1.166 43.338 42.059 0.189 0.000 1.221 286 L HN 0.345 nan 8.230 nan 0.000 0.431 287 P HA 0.208 nan 4.420 nan 0.000 0.282 287 P C -1.272 175.814 177.300 -0.356 0.000 1.249 287 P CA -0.366 62.351 63.100 -0.638 0.000 0.806 287 P CB 1.182 31.998 31.700 -1.474 0.000 0.984 288 E N 2.381 122.244 120.200 -0.562 0.000 2.216 288 E HA 0.373 4.723 4.350 -0.000 0.000 0.260 288 E C -1.592 174.666 176.600 -0.571 0.000 0.880 288 E CA -0.616 55.562 56.400 -0.369 0.000 0.765 288 E CB 0.721 30.141 29.700 -0.467 0.000 1.174 288 E HN 0.255 nan 8.360 nan 0.000 0.417 289 F N 3.317 123.258 119.950 -0.014 0.000 2.366 289 F HA 0.190 4.717 4.527 -0.000 0.000 0.357 289 F C 0.262 176.213 175.800 0.253 0.000 1.107 289 F CA -0.889 57.219 58.000 0.179 0.000 1.208 289 F CB 0.806 40.011 39.000 0.343 0.000 1.464 289 F HN 0.376 nan 8.300 nan 0.000 0.501 290 D N 2.633 123.146 120.400 0.189 0.000 2.450 290 D HA 0.155 4.795 4.640 -0.000 0.000 0.247 290 D C 0.053 176.397 176.300 0.073 0.000 1.162 290 D CA 0.694 54.797 54.000 0.171 0.000 0.879 290 D CB 0.853 41.714 40.800 0.100 0.000 1.163 290 D HN 0.515 nan 8.370 nan 0.000 0.472 291 T N 0.895 115.531 114.554 0.137 0.000 2.900 291 T HA 0.528 4.878 4.350 -0.000 0.000 0.303 291 T C -2.429 172.409 174.700 0.230 0.000 1.142 291 T CA -1.263 60.876 62.100 0.066 0.000 1.007 291 T CB 2.443 71.413 68.868 0.169 0.000 1.156 291 T HN 0.095 nan 8.240 nan 0.000 0.490 292 P HA 0.236 nan 4.420 nan 0.000 0.252 292 P C 0.915 178.101 177.300 -0.190 0.000 1.218 292 P CA 0.237 63.224 63.100 -0.188 0.000 0.807 292 P CB -0.067 31.366 31.700 -0.445 0.000 1.072 293 G N -0.304 108.441 108.800 -0.093 0.000 2.562 293 G HA2 0.149 4.109 3.960 -0.000 0.000 0.275 293 G HA3 0.149 4.109 3.960 -0.000 0.000 0.275 293 G C -0.259 174.643 174.900 0.003 0.000 1.196 293 G CA -0.184 44.842 45.100 -0.122 0.000 0.908 293 G HN 0.294 nan 8.290 nan 0.000 0.524 294 H N -1.081 117.908 119.070 -0.135 0.000 2.748 294 H HA -0.182 4.374 4.556 -0.000 0.000 0.322 294 H C 0.898 176.203 175.328 -0.037 0.000 1.208 294 H CA 1.198 57.210 56.048 -0.060 0.000 1.151 294 H CB -1.822 27.942 29.762 0.004 0.000 1.505 294 H HN 0.740 nan 8.280 nan 0.000 0.429 295 T N -3.175 111.354 114.554 -0.042 0.000 3.399 295 T HA 0.313 4.663 4.350 -0.000 0.000 0.305 295 T C 1.649 176.410 174.700 0.103 0.000 0.983 295 T CA -0.302 61.745 62.100 -0.089 0.000 0.967 295 T CB 0.075 68.602 68.868 -0.567 0.000 1.186 295 T HN 0.218 nan 8.240 nan 0.000 0.504 296 L N 1.796 123.062 121.223 0.072 0.000 2.079 296 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 296 L C 2.920 179.828 176.870 0.064 0.000 1.081 296 L CA 1.846 56.704 54.840 0.030 0.000 0.752 296 L CB -0.500 41.558 42.059 -0.001 0.000 0.896 296 L HN 0.555 nan 8.230 nan 0.000 0.433 297 S N -1.960 113.850 115.700 0.184 0.000 2.489 297 S HA -0.125 4.345 4.470 -0.000 0.000 0.228 297 S C 1.450 176.103 174.600 0.088 0.000 0.995 297 S CA -0.017 58.262 58.200 0.132 0.000 0.934 297 S CB -0.489 62.816 63.200 0.175 0.000 0.771 297 S HN 0.424 nan 8.310 nan 0.000 0.522 298 W N 2.411 123.673 121.300 -0.063 0.000 2.381 298 W HA 0.284 4.944 4.660 -0.000 0.000 0.301 298 W C 2.667 178.969 176.519 -0.362 0.000 1.205 298 W CA 0.599 57.806 57.345 -0.230 0.000 1.285 298 W CB -1.118 28.265 29.460 -0.129 0.000 1.133 298 W HN 0.420 nan 8.180 nan 0.000 0.521 299 G N 0.127 108.868 108.800 -0.098 0.000 2.598 299 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.215 299 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.215 299 G C 1.587 176.296 174.900 -0.317 0.000 1.131 299 G CA 0.488 45.412 45.100 -0.294 0.000 0.785 299 G HN 0.024 nan 8.290 nan 0.000 0.539 300 K N 0.585 120.839 120.400 -0.244 0.000 2.097 300 K HA -0.032 4.287 4.320 -0.000 0.000 0.206 300 K C 2.425 178.903 176.600 -0.203 0.000 1.049 300 K CA 1.336 57.497 56.287 -0.209 0.000 0.933 300 K CB -0.434 31.972 32.500 -0.157 0.000 0.717 300 K HN 0.322 nan 8.250 nan 0.000 0.442 301 G N -0.090 108.564 108.800 -0.243 0.000 2.724 301 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.205 301 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.205 301 G C 0.349 175.118 174.900 -0.218 0.000 1.112 301 G CA -0.121 44.852 45.100 -0.212 0.000 0.793 301 G HN 0.192 nan 8.290 nan 0.000 0.526 302 Q N 1.980 121.591 119.800 -0.315 0.000 2.390 302 Q HA 0.360 4.700 4.340 -0.000 0.000 0.249 302 Q C 0.220 176.020 176.000 -0.333 0.000 0.996 302 Q CA -0.596 54.971 55.803 -0.393 0.000 0.899 302 Q CB 0.423 28.715 28.738 -0.745 0.000 1.216 302 Q HN 0.459 nan 8.270 nan 0.000 0.465 303 K N 2.552 122.815 120.400 -0.229 0.000 2.295 303 K HA 0.165 4.485 4.320 -0.000 0.000 0.270 303 K C -0.649 175.850 176.600 -0.169 0.000 1.011 303 K CA -0.240 55.944 56.287 -0.172 0.000 0.953 303 K CB 0.512 32.955 32.500 -0.095 0.000 0.956 303 K HN 0.541 nan 8.250 nan 0.000 0.477 304 D N 0.431 120.754 120.400 -0.128 0.000 2.811 304 D HA -0.186 4.454 4.640 -0.000 0.000 0.231 304 D C 0.228 176.455 176.300 -0.122 0.000 1.157 304 D CA 0.980 54.932 54.000 -0.079 0.000 0.716 304 D CB -0.847 39.932 40.800 -0.035 0.000 1.077 304 D HN 0.579 nan 8.370 nan 0.000 0.428 305 L N -0.894 120.205 121.223 -0.206 0.000 2.269 305 L HA 0.213 4.553 4.340 -0.000 0.000 0.200 305 L C 0.795 177.562 176.870 -0.173 0.000 1.069 305 L CA 0.869 55.556 54.840 -0.256 0.000 0.804 305 L CB 0.150 41.951 42.059 -0.430 0.000 0.987 305 L HN 0.119 nan 8.230 nan 0.000 0.468 306 L N 0.151 121.280 121.223 -0.156 0.000 2.439 306 L HA 0.258 4.598 4.340 -0.000 0.000 0.261 306 L C 0.160 177.077 176.870 0.078 0.000 1.153 306 L CA -0.572 54.226 54.840 -0.070 0.000 0.808 306 L CB 0.754 42.745 42.059 -0.113 0.000 1.126 306 L HN -0.044 nan 8.230 nan 0.000 0.460 307 T N 2.453 117.075 114.554 0.113 0.000 2.779 307 T HA 0.207 4.557 4.350 -0.000 0.000 0.296 307 T C -2.385 172.420 174.700 0.175 0.000 0.938 307 T CA -0.899 61.305 62.100 0.172 0.000 1.119 307 T CB 0.582 69.588 68.868 0.229 0.000 0.891 307 T HN 0.279 nan 8.240 nan 0.000 0.526 308 P HA 0.256 nan 4.420 nan 0.000 0.276 308 P C -0.489 176.742 177.300 -0.114 0.000 1.253 308 P CA -0.600 62.443 63.100 -0.096 0.000 0.766 308 P CB 0.060 31.669 31.700 -0.151 0.000 0.845 309 c N 3.824 122.291 118.600 -0.222 0.000 2.585 309 c HA 0.132 4.702 4.570 -0.000 0.000 0.406 309 c C 1.335 175.331 174.090 -0.157 0.000 1.312 309 c CA 0.233 56.498 56.329 -0.107 0.000 1.924 309 c CB -1.262 41.161 42.510 -0.145 0.000 2.578 309 c HN 0.633 nan 8.230 nan 0.000 0.580 310 Y N 0.866 121.107 120.300 -0.099 0.000 2.482 310 Y HA 0.112 4.662 4.550 -0.000 0.000 0.270 310 Y C 1.575 177.430 175.900 -0.074 0.000 1.152 310 Y CA 0.313 58.366 58.100 -0.079 0.000 1.292 310 Y CB -0.007 38.428 38.460 -0.042 0.000 1.070 310 Y HN 0.609 nan 8.280 nan 0.000 0.528 318 S N 0.079 115.648 115.700 -0.217 0.000 2.461 318 S HA 0.184 4.654 4.470 -0.000 0.000 0.228 318 S C 0.313 174.427 174.600 -0.810 0.000 1.005 318 S CA 0.584 58.471 58.200 -0.521 0.000 0.942 318 S CB -0.022 62.806 63.200 -0.619 0.000 0.776 318 S HN 0.308 nan 8.310 nan 0.000 0.514 319 F N -0.542 119.343 119.950 -0.108 0.000 2.588 319 F HA 0.703 5.230 4.527 -0.000 0.000 0.314 319 F C 0.757 176.470 175.800 -0.144 0.000 1.069 319 F CA -0.924 57.007 58.000 -0.114 0.000 0.931 319 F CB 1.466 40.404 39.000 -0.103 0.000 1.260 319 F HN -0.006 nan 8.300 nan 0.000 0.465 320 G N 0.318 109.132 108.800 0.024 0.000 3.302 320 G HA2 0.648 4.608 3.960 -0.000 0.000 0.170 320 G HA3 0.648 4.608 3.960 -0.000 0.000 0.170 320 G C -2.933 171.855 174.900 -0.187 0.000 1.119 320 G CA -1.334 43.676 45.100 -0.151 0.000 0.826 320 G HN 0.321 nan 8.290 nan 0.000 0.646 321 P HA 0.265 nan 4.420 nan 0.000 0.273 321 P C -0.083 177.138 177.300 -0.130 0.000 1.250 321 P CA -0.352 62.565 63.100 -0.304 0.000 0.793 321 P CB 0.607 31.977 31.700 -0.550 0.000 1.011 322 I N 0.959 121.423 120.570 -0.177 0.000 2.683 322 I HA -0.052 4.118 4.170 -0.000 0.000 0.286 322 I C 1.308 177.378 176.117 -0.077 0.000 1.175 322 I CA 0.300 61.487 61.300 -0.189 0.000 1.429 322 I CB -0.325 37.481 38.000 -0.322 0.000 1.371 322 I HN 0.373 nan 8.210 nan 0.000 0.569 323 N N 8.862 127.537 118.700 -0.040 0.000 2.427 323 N HA 0.073 4.813 4.740 -0.000 0.000 0.269 323 N C -2.012 173.430 175.510 -0.114 0.000 1.235 323 N CA -1.160 51.884 53.050 -0.010 0.000 0.934 323 N CB 0.790 39.273 38.487 -0.006 0.000 1.121 323 N HN 0.332 nan 8.380 nan 0.000 0.480 324 P HA 0.150 nan 4.420 nan 0.000 0.241 324 P C -0.014 177.277 177.300 -0.015 0.000 1.783 324 P CA -0.005 63.087 63.100 -0.013 0.000 1.052 324 P CB 0.088 31.790 31.700 0.003 0.000 1.594 325 T N -4.108 110.327 114.554 -0.198 0.000 3.087 325 T HA 0.318 4.668 4.350 -0.000 0.000 0.283 325 T C 0.224 174.851 174.700 -0.122 0.000 0.956 325 T CA -0.100 61.681 62.100 -0.531 0.000 0.894 325 T CB -0.135 68.157 68.868 -0.960 0.000 1.160 325 T HN -0.049 nan 8.240 nan 0.000 0.532 326 L N 1.379 122.630 121.223 0.047 0.000 2.319 326 L HA 0.583 4.923 4.340 -0.000 0.000 0.267 326 L C 0.664 177.673 176.870 0.232 0.000 1.011 326 L CA -1.241 53.668 54.840 0.114 0.000 0.818 326 L CB 1.657 43.748 42.059 0.054 0.000 1.316 326 L HN -0.123 nan 8.230 nan 0.000 0.432 327 N N -0.029 118.800 118.700 0.214 0.000 2.270 327 N HA -0.121 4.619 4.740 -0.000 0.000 0.181 327 N C 1.668 177.308 175.510 0.218 0.000 1.016 327 N CA 1.559 54.757 53.050 0.246 0.000 0.870 327 N CB -0.257 38.339 38.487 0.182 0.000 0.979 327 N HN 0.796 nan 8.380 nan 0.000 0.431 328 T N -2.438 112.205 114.554 0.149 0.000 2.897 328 T HA -0.077 4.273 4.350 -0.000 0.000 0.271 328 T C 1.851 176.621 174.700 0.116 0.000 1.084 328 T CA 1.446 63.619 62.100 0.122 0.000 1.123 328 T CB -0.619 68.287 68.868 0.063 0.000 0.865 328 T HN 0.055 nan 8.240 nan 0.000 0.496 329 T N 0.976 115.572 114.554 0.070 0.000 2.698 329 T HA 0.036 4.386 4.350 -0.000 0.000 0.260 329 T C 1.492 176.219 174.700 0.044 0.000 1.044 329 T CA 1.344 63.425 62.100 -0.031 0.000 1.149 329 T CB -0.537 68.185 68.868 -0.244 0.000 0.864 329 T HN 0.525 nan 8.240 nan 0.000 0.419 330 Y N 1.059 121.481 120.300 0.203 0.000 2.314 330 Y HA 0.030 4.580 4.550 -0.000 0.000 0.293 330 Y C 2.978 178.989 175.900 0.184 0.000 1.129 330 Y CA 0.647 58.852 58.100 0.174 0.000 1.201 330 Y CB -0.552 37.972 38.460 0.106 0.000 0.999 330 Y HN 0.167 nan 8.280 nan 0.000 0.541 331 S N -0.192 115.703 115.700 0.325 0.000 2.419 331 S HA -0.210 4.260 4.470 -0.000 0.000 0.233 331 S C 1.905 176.691 174.600 0.311 0.000 1.016 331 S CA 1.148 59.512 58.200 0.273 0.000 0.974 331 S CB -0.579 62.764 63.200 0.237 0.000 0.786 331 S HN 0.502 nan 8.310 nan 0.000 0.492 332 F N 1.654 121.697 119.950 0.156 0.000 2.149 332 F HA 0.201 4.728 4.527 -0.000 0.000 0.294 332 F C 1.698 177.604 175.800 0.177 0.000 1.095 332 F CA 1.081 59.141 58.000 0.099 0.000 1.276 332 F CB -0.376 38.556 39.000 -0.114 0.000 1.023 332 F HN 0.145 nan 8.300 nan 0.000 0.480 333 L N -0.056 121.237 121.223 0.116 0.000 2.083 333 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 333 L C 2.321 179.373 176.870 0.303 0.000 1.083 333 L CA 1.728 56.677 54.840 0.181 0.000 0.752 333 L CB -1.166 41.093 42.059 0.333 0.000 0.899 333 L HN 0.193 nan 8.230 nan 0.000 0.433 334 T N -1.290 113.409 114.554 0.241 0.000 2.737 334 T HA -0.159 4.191 4.350 -0.000 0.000 0.265 334 T C 1.877 176.687 174.700 0.183 0.000 1.038 334 T CA 1.923 64.148 62.100 0.208 0.000 1.144 334 T CB -0.277 68.692 68.868 0.168 0.000 0.866 334 T HN 0.347 nan 8.240 nan 0.000 0.434 335 T N 1.612 116.279 114.554 0.188 0.000 2.904 335 T HA 0.032 4.382 4.350 -0.000 0.000 0.267 335 T C 1.530 176.339 174.700 0.181 0.000 1.059 335 T CA 0.613 62.823 62.100 0.183 0.000 1.137 335 T CB -0.406 68.624 68.868 0.270 0.000 0.879 335 T HN 0.316 nan 8.240 nan 0.000 0.467 336 F N 1.190 121.116 119.950 -0.040 0.000 2.084 336 F HA 0.062 4.589 4.527 -0.000 0.000 0.296 336 F C 1.558 177.183 175.800 -0.292 0.000 1.111 336 F CA 0.924 58.778 58.000 -0.243 0.000 1.224 336 F CB -0.431 38.120 39.000 -0.749 0.000 0.991 336 F HN 0.081 nan 8.300 nan 0.000 0.471 337 F N 0.437 120.328 119.950 -0.099 0.000 2.502 337 F HA -0.030 4.497 4.527 -0.000 0.000 0.298 337 F C 2.146 177.857 175.800 -0.150 0.000 1.111 337 F CA 0.865 58.757 58.000 -0.180 0.000 1.445 337 F CB -0.544 38.430 39.000 -0.043 0.000 1.081 337 F HN -0.097 nan 8.300 nan 0.000 0.558 338 K N 0.953 121.379 120.400 0.044 0.000 2.211 338 K HA -0.172 4.148 4.320 -0.000 0.000 0.203 338 K C 1.898 178.464 176.600 -0.057 0.000 1.050 338 K CA 1.287 57.580 56.287 0.010 0.000 0.945 338 K CB -0.200 32.314 32.500 0.023 0.000 0.732 338 K HN 0.363 nan 8.250 nan 0.000 0.451 339 E N -0.323 119.788 120.200 -0.148 0.000 2.102 339 E HA -0.062 4.288 4.350 -0.000 0.000 0.190 339 E C 1.640 178.126 176.600 -0.190 0.000 0.971 339 E CA 0.516 56.811 56.400 -0.175 0.000 0.821 339 E CB 0.095 29.661 29.700 -0.222 0.000 0.777 339 E HN 0.147 nan 8.360 nan 0.000 0.460 340 I N 2.193 122.555 120.570 -0.346 0.000 2.264 340 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 340 I C 2.664 178.797 176.117 0.025 0.000 1.111 340 I CA 1.546 62.708 61.300 -0.231 0.000 1.382 340 I CB -1.626 36.073 38.000 -0.501 0.000 1.060 340 I HN 0.174 nan 8.210 nan 0.000 0.418 341 S N 0.479 116.182 115.700 0.005 0.000 2.423 341 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 341 S C 1.503 176.105 174.600 0.003 0.000 1.014 341 S CA 0.696 58.915 58.200 0.032 0.000 0.965 341 S CB -0.501 62.712 63.200 0.023 0.000 0.785 341 S HN 0.568 nan 8.310 nan 0.000 0.495 342 E N 0.334 120.519 120.200 -0.024 0.000 2.465 342 E HA 0.215 4.565 4.350 -0.000 0.000 0.191 342 E C 0.776 177.337 176.600 -0.064 0.000 1.053 342 E CA 0.015 56.392 56.400 -0.039 0.000 0.869 342 E CB 0.444 30.120 29.700 -0.039 0.000 0.977 342 E HN 0.426 nan 8.360 nan 0.000 0.483 343 V N -0.422 119.448 119.914 -0.075 0.000 3.058 343 V HA 0.095 4.215 4.120 -0.000 0.000 0.233 343 V C 0.080 175.987 176.094 -0.313 0.000 1.255 343 V CA 0.267 62.453 62.300 -0.189 0.000 1.267 343 V CB 0.351 32.049 31.823 -0.210 0.000 1.049 343 V HN 0.077 nan 8.190 nan 0.000 0.486 344 F N 1.954 121.876 119.950 -0.047 0.000 2.375 344 F HA 0.398 4.925 4.527 -0.000 0.000 0.362 344 F C -1.547 174.170 175.800 -0.139 0.000 1.129 344 F CA -2.040 55.925 58.000 -0.057 0.000 1.154 344 F CB 0.847 39.855 39.000 0.014 0.000 1.205 344 F HN 0.074 nan 8.300 nan 0.000 0.513 345 P HA -0.133 nan 4.420 nan 0.000 0.223 345 P C 0.242 177.435 177.300 -0.178 0.000 1.151 345 P CA 0.796 63.654 63.100 -0.404 0.000 0.787 345 P CB 0.152 31.028 31.700 -1.373 0.000 0.788 346 D N 0.114 120.498 120.400 -0.028 0.000 2.400 346 D HA -0.044 4.596 4.640 -0.000 0.000 0.238 346 D C 0.586 176.930 176.300 0.072 0.000 1.157 346 D CA 0.373 54.421 54.000 0.080 0.000 0.889 346 D CB 0.714 41.608 40.800 0.156 0.000 1.199 346 D HN 0.106 nan 8.370 nan 0.000 0.436 347 Q N 1.503 121.350 119.800 0.079 0.000 2.282 347 Q HA 0.140 4.480 4.340 -0.000 0.000 0.205 347 Q C -0.732 175.044 176.000 -0.374 0.000 0.915 347 Q CA 0.193 55.928 55.803 -0.113 0.000 0.949 347 Q CB 0.197 28.844 28.738 -0.152 0.000 1.035 347 Q HN 0.301 nan 8.270 nan 0.000 0.484 348 F N 0.059 120.027 119.950 0.030 0.000 2.578 348 F HA 0.517 5.044 4.527 -0.000 0.000 0.311 348 F C -0.508 175.309 175.800 0.028 0.000 1.094 348 F CA -0.972 57.040 58.000 0.019 0.000 0.923 348 F CB 1.766 40.777 39.000 0.018 0.000 1.230 348 F HN -0.198 nan 8.300 nan 0.000 0.450 349 I N 2.703 123.395 120.570 0.203 0.000 2.500 349 I HA 0.189 4.359 4.170 -0.000 0.000 0.286 349 I C -0.846 175.377 176.117 0.176 0.000 1.063 349 I CA -0.672 60.730 61.300 0.170 0.000 1.062 349 I CB 1.490 39.597 38.000 0.177 0.000 1.223 349 I HN 0.544 nan 8.210 nan 0.000 0.435 350 H N 6.931 126.059 119.070 0.096 0.000 2.899 350 H HA 0.237 4.793 4.556 -0.000 0.000 0.303 350 H C 0.360 175.752 175.328 0.107 0.000 1.042 350 H CA 0.568 56.647 56.048 0.051 0.000 1.479 350 H CB 1.365 31.165 29.762 0.063 0.000 1.493 350 H HN 0.626 nan 8.280 nan 0.000 0.534 351 L N 4.170 125.553 121.223 0.267 0.000 2.477 351 L HA 0.127 4.467 4.340 -0.000 0.000 0.220 351 L C 1.836 178.941 176.870 0.392 0.000 1.106 351 L CA 0.579 55.599 54.840 0.299 0.000 0.851 351 L CB -0.022 42.113 42.059 0.126 0.000 0.994 351 L HN 0.929 nan 8.230 nan 0.000 0.462 352 G N 0.667 109.800 108.800 0.556 0.000 2.588 352 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.273 352 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.273 352 G C 0.778 176.068 174.900 0.649 0.000 1.211 352 G CA -0.029 45.516 45.100 0.741 0.000 0.958 352 G HN 0.856 nan 8.290 nan 0.000 0.543 353 G N -0.043 109.037 108.800 0.466 0.000 2.171 353 G HA2 0.197 4.157 3.960 -0.000 0.000 0.238 353 G HA3 0.197 4.157 3.960 -0.000 0.000 0.238 353 G C -0.023 175.079 174.900 0.337 0.000 1.039 353 G CA 1.318 46.636 45.100 0.364 0.000 0.759 353 G HN 2.094 nan 8.290 nan 0.000 0.501 354 D N -0.429 120.126 120.400 0.259 0.000 2.326 354 D HA 0.474 5.114 4.640 -0.000 0.000 0.248 354 D C 0.505 176.853 176.300 0.080 0.000 1.001 354 D CA -0.589 53.491 54.000 0.133 0.000 0.961 354 D CB 0.529 41.171 40.800 -0.264 0.000 1.183 354 D HN 0.382 nan 8.370 nan 0.000 0.502 355 E N -0.843 119.407 120.200 0.083 0.000 2.183 355 E HA -0.132 4.218 4.350 -0.000 0.000 0.196 355 E C -0.746 175.767 176.600 -0.145 0.000 1.364 355 E CA 0.112 56.509 56.400 -0.005 0.000 0.700 355 E CB -1.049 28.656 29.700 0.009 0.000 1.106 355 E HN 0.260 nan 8.360 nan 0.000 0.347 356 V N 1.710 121.495 119.914 -0.216 0.000 2.385 356 V HA 0.089 4.209 4.120 -0.000 0.000 0.269 356 V C 0.670 176.284 176.094 -0.800 0.000 1.043 356 V CA -0.116 61.929 62.300 -0.424 0.000 0.906 356 V CB 1.248 32.898 31.823 -0.287 0.000 0.995 356 V HN 0.211 nan 8.190 nan 0.000 0.467 357 E N 3.940 123.703 120.200 -0.728 0.000 2.194 357 E HA 0.259 4.609 4.350 -0.000 0.000 0.284 357 E C -0.279 175.800 176.600 -0.869 0.000 1.035 357 E CA -0.195 55.778 56.400 -0.712 0.000 0.836 357 E CB 0.816 30.236 29.700 -0.466 0.000 1.070 357 E HN 0.617 nan 8.360 nan 0.000 0.401 358 F N 1.813 121.546 119.950 -0.362 0.000 2.664 358 F HA 0.022 4.549 4.527 -0.000 0.000 0.296 358 F C 1.961 177.502 175.800 -0.433 0.000 1.125 358 F CA 0.006 57.770 58.000 -0.394 0.000 1.444 358 F CB -0.118 38.805 39.000 -0.128 0.000 1.114 358 F HN 0.297 nan 8.300 nan 0.000 0.576 359 K N 0.186 120.473 120.400 -0.189 0.000 2.077 359 K HA -0.286 4.034 4.320 -0.000 0.000 0.213 359 K C 2.339 178.831 176.600 -0.181 0.000 1.051 359 K CA 1.687 57.878 56.287 -0.161 0.000 0.929 359 K CB -1.302 31.113 32.500 -0.142 0.000 0.715 359 K HN 0.395 nan 8.250 nan 0.000 0.451 360 c N -0.048 118.393 118.600 -0.265 0.000 2.435 360 c HA -0.080 4.490 4.570 -0.000 0.000 0.279 360 c C 2.461 176.515 174.090 -0.059 0.000 1.321 360 c CA 0.008 56.222 56.329 -0.192 0.000 1.752 360 c CB -1.077 41.267 42.510 -0.278 0.000 1.959 360 c HN 0.522 nan 8.230 nan 0.000 0.500 361 W N 1.086 122.276 121.300 -0.184 0.000 2.418 361 W HA 0.038 4.698 4.660 -0.000 0.000 0.292 361 W C 2.338 178.694 176.519 -0.272 0.000 1.213 361 W CA 0.784 58.004 57.345 -0.208 0.000 1.283 361 W CB -1.299 28.006 29.460 -0.257 0.000 1.119 361 W HN 0.525 nan 8.180 nan 0.000 0.542 362 E N 0.417 120.462 120.200 -0.258 0.000 2.085 362 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 362 E C 2.018 178.631 176.600 0.020 0.000 0.994 362 E CA 2.079 58.394 56.400 -0.142 0.000 0.801 362 E CB -0.537 29.073 29.700 -0.150 0.000 0.743 362 E HN 0.119 nan 8.360 nan 0.000 0.453 363 S N 0.572 116.269 115.700 -0.006 0.000 2.603 363 S HA -0.022 4.448 4.470 -0.000 0.000 0.220 363 S C 0.705 175.223 174.600 -0.137 0.000 0.967 363 S CA -0.196 57.994 58.200 -0.017 0.000 0.920 363 S CB -0.014 63.207 63.200 0.036 0.000 0.773 363 S HN 0.007 nan 8.310 nan 0.000 0.529 364 N N 2.780 121.433 118.700 -0.078 0.000 2.420 364 N HA 0.353 5.093 4.740 -0.000 0.000 0.249 364 N C -2.179 173.215 175.510 -0.194 0.000 1.033 364 N CA -2.285 50.633 53.050 -0.221 0.000 0.944 364 N CB 1.616 40.172 38.487 0.115 0.000 1.113 364 N HN -0.039 nan 8.380 nan 0.000 0.502 365 P HA -0.101 nan 4.420 nan 0.000 0.215 365 P C 0.741 178.015 177.300 -0.044 0.000 1.157 365 P CA 1.557 64.553 63.100 -0.173 0.000 0.868 365 P CB 0.398 31.964 31.700 -0.222 0.000 0.788 366 K N -0.834 119.553 120.400 -0.022 0.000 2.283 366 K HA -0.033 4.287 4.320 -0.000 0.000 0.202 366 K C 1.973 178.628 176.600 0.092 0.000 1.048 366 K CA 0.947 57.266 56.287 0.054 0.000 0.948 366 K CB -0.408 32.136 32.500 0.074 0.000 0.742 366 K HN 0.207 nan 8.250 nan 0.000 0.458 367 I N 0.783 121.400 120.570 0.079 0.000 2.584 367 I HA -0.205 3.965 4.170 -0.000 0.000 0.255 367 I C 2.075 178.303 176.117 0.186 0.000 1.145 367 I CA 0.956 62.319 61.300 0.105 0.000 1.462 367 I CB -0.088 37.968 38.000 0.092 0.000 1.102 367 I HN 0.194 nan 8.210 nan 0.000 0.433 368 Q N 0.336 120.224 119.800 0.147 0.000 2.083 368 Q HA -0.234 4.106 4.340 -0.000 0.000 0.198 368 Q C 1.598 177.653 176.000 0.093 0.000 0.969 368 Q CA 1.506 57.387 55.803 0.129 0.000 0.838 368 Q CB -0.146 28.646 28.738 0.090 0.000 0.900 368 Q HN 0.313 nan 8.270 nan 0.000 0.436 369 D N -0.271 120.183 120.400 0.091 0.000 2.350 369 D HA -0.132 4.508 4.640 -0.000 0.000 0.216 369 D C 1.032 177.392 176.300 0.101 0.000 0.968 369 D CA 0.566 54.608 54.000 0.071 0.000 0.894 369 D CB 0.054 40.893 40.800 0.065 0.000 0.909 369 D HN 0.186 nan 8.370 nan 0.000 0.520 370 F N -0.350 119.595 119.950 -0.008 0.000 2.437 370 F HA 0.084 4.611 4.527 -0.000 0.000 0.288 370 F C 2.047 177.833 175.800 -0.023 0.000 1.085 370 F CA 0.238 58.227 58.000 -0.018 0.000 1.430 370 F CB 0.025 39.016 39.000 -0.016 0.000 1.120 370 F HN -0.172 nan 8.300 nan 0.000 0.556 371 M N 1.275 120.978 119.600 0.172 0.000 2.065 371 M HA -0.186 4.294 4.480 -0.000 0.000 0.259 371 M C 2.379 178.658 176.300 -0.036 0.000 1.069 371 M CA 2.047 57.395 55.300 0.079 0.000 1.110 371 M CB -1.287 31.297 32.600 -0.025 0.000 1.328 371 M HN 0.260 nan 8.290 nan 0.000 0.405 372 R N -0.306 120.154 120.500 -0.066 0.000 2.115 372 R HA -0.080 4.260 4.340 -0.000 0.000 0.226 372 R C 1.781 177.986 176.300 -0.158 0.000 1.100 372 R CA 0.887 56.922 56.100 -0.107 0.000 0.980 372 R CB -0.697 29.559 30.300 -0.073 0.000 0.875 372 R HN 0.365 nan 8.270 nan 0.000 0.445 373 Q N 1.396 121.093 119.800 -0.172 0.000 2.431 373 Q HA 0.000 4.340 4.340 -0.000 0.000 0.210 373 Q C 0.362 176.153 176.000 -0.350 0.000 0.958 373 Q CA 0.844 56.515 55.803 -0.219 0.000 0.957 373 Q CB 0.309 28.940 28.738 -0.178 0.000 1.007 373 Q HN 0.435 nan 8.270 nan 0.000 0.511 374 K N -2.117 118.045 120.400 -0.398 0.000 2.582 374 K HA 0.150 4.470 4.320 -0.000 0.000 0.204 374 K C 0.359 176.547 176.600 -0.687 0.000 1.221 374 K CA 0.533 56.499 56.287 -0.536 0.000 1.048 374 K CB 0.722 32.839 32.500 -0.637 0.000 1.011 374 K HN 0.182 nan 8.250 nan 0.000 0.597 375 G N 1.155 109.670 108.800 -0.475 0.000 2.143 375 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.248 375 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.248 375 G C 0.248 174.862 174.900 -0.476 0.000 0.991 375 G CA 0.375 45.210 45.100 -0.441 0.000 0.689 375 G HN 0.294 nan 8.290 nan 0.000 0.522 376 F N 0.824 120.649 119.950 -0.209 0.000 2.754 376 F HA 0.396 4.923 4.527 -0.000 0.000 0.297 376 F C 2.272 177.932 175.800 -0.233 0.000 1.122 376 F CA 1.144 59.017 58.000 -0.211 0.000 1.400 376 F CB -0.025 38.831 39.000 -0.239 0.000 1.117 376 F HN 0.743 nan 8.300 nan 0.000 0.587 377 G N 1.024 109.777 108.800 -0.079 0.000 2.565 377 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.295 377 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.295 377 G C 0.916 175.695 174.900 -0.202 0.000 1.165 377 G CA 0.828 45.857 45.100 -0.118 0.000 0.977 377 G HN 0.462 nan 8.290 nan 0.000 0.546 378 T N -2.233 112.181 114.554 -0.234 0.000 3.200 378 T HA 0.444 4.794 4.350 -0.000 0.000 0.284 378 T C 0.008 174.414 174.700 -0.491 0.000 1.009 378 T CA 1.010 62.889 62.100 -0.370 0.000 0.907 378 T CB 0.686 69.492 68.868 -0.104 0.000 1.120 378 T HN 0.624 nan 8.240 nan 0.000 0.534 379 D N 0.904 121.065 120.400 -0.398 0.000 2.380 379 D HA 0.291 4.931 4.640 -0.000 0.000 0.230 379 D C -0.025 176.023 176.300 -0.420 0.000 1.154 379 D CA -1.265 52.562 54.000 -0.289 0.000 0.859 379 D CB 0.100 40.821 40.800 -0.132 0.000 1.045 379 D HN 0.215 nan 8.370 nan 0.000 0.495 380 F N 2.162 121.952 119.950 -0.267 0.000 2.789 380 F HA 0.161 4.688 4.527 -0.000 0.000 0.300 380 F C 2.179 177.721 175.800 -0.430 0.000 1.132 380 F CA 0.115 57.911 58.000 -0.340 0.000 1.404 380 F CB 0.148 38.977 39.000 -0.284 0.000 1.114 380 F HN 0.282 nan 8.300 nan 0.000 0.584 381 K N 0.449 120.674 120.400 -0.291 0.000 2.217 381 K HA -0.092 4.228 4.320 -0.000 0.000 0.202 381 K C 1.762 178.372 176.600 0.017 0.000 1.051 381 K CA 0.868 57.108 56.287 -0.077 0.000 0.952 381 K CB -0.032 32.449 32.500 -0.031 0.000 0.736 381 K HN 0.252 nan 8.250 nan 0.000 0.453 382 K N 0.438 120.803 120.400 -0.058 0.000 2.296 382 K HA -0.052 4.268 4.320 -0.000 0.000 0.200 382 K C 1.920 178.339 176.600 -0.301 0.000 1.048 382 K CA 0.401 56.655 56.287 -0.056 0.000 0.966 382 K CB 0.059 32.619 32.500 0.100 0.000 0.754 382 K HN 0.017 nan 8.250 nan 0.000 0.466 383 L N 1.816 122.817 121.223 -0.370 0.000 2.131 383 L HA -0.076 4.264 4.340 -0.000 0.000 0.206 383 L C 2.236 179.072 176.870 -0.057 0.000 1.087 383 L CA 1.672 56.259 54.840 -0.422 0.000 0.767 383 L CB -0.235 41.588 42.059 -0.394 0.000 0.917 383 L HN 0.131 nan 8.230 nan 0.000 0.441 384 E N -0.995 119.290 120.200 0.143 0.000 2.077 384 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 384 E C 2.014 178.791 176.600 0.296 0.000 0.989 384 E CA 1.355 57.974 56.400 0.365 0.000 0.800 384 E CB 0.001 30.047 29.700 0.576 0.000 0.746 384 E HN 0.562 nan 8.360 nan 0.000 0.452 385 S N 0.386 116.204 115.700 0.197 0.000 2.356 385 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 385 S C 1.526 176.221 174.600 0.159 0.000 1.032 385 S CA 1.193 59.489 58.200 0.160 0.000 1.005 385 S CB -0.521 62.755 63.200 0.126 0.000 0.867 385 S HN 0.423 nan 8.310 nan 0.000 0.449 386 F N 1.431 121.377 119.950 -0.007 0.000 2.120 386 F HA -0.214 4.313 4.527 -0.000 0.000 0.300 386 F C 2.077 177.943 175.800 0.111 0.000 1.095 386 F CA 1.549 59.559 58.000 0.017 0.000 1.249 386 F CB -0.597 38.314 39.000 -0.149 0.000 0.995 386 F HN 0.273 nan 8.300 nan 0.000 0.480 387 Y N 0.306 120.621 120.300 0.024 0.000 2.092 387 Y HA -0.181 4.369 4.550 -0.000 0.000 0.282 387 Y C 2.327 178.240 175.900 0.022 0.000 1.126 387 Y CA 1.987 60.106 58.100 0.032 0.000 1.111 387 Y CB -1.001 37.536 38.460 0.129 0.000 0.987 387 Y HN 0.110 nan 8.280 nan 0.000 0.489 388 I N 1.129 121.709 120.570 0.018 0.000 2.315 388 I HA -0.346 3.824 4.170 -0.000 0.000 0.251 388 I C 2.211 178.235 176.117 -0.156 0.000 1.125 388 I CA 1.679 62.927 61.300 -0.086 0.000 1.392 388 I CB -0.664 37.410 38.000 0.123 0.000 1.065 388 I HN 0.460 nan 8.210 nan 0.000 0.424 389 Q N 0.027 119.755 119.800 -0.121 0.000 2.020 389 Q HA -0.235 4.105 4.340 -0.000 0.000 0.202 389 Q C 2.163 178.041 176.000 -0.203 0.000 0.982 389 Q CA 1.845 57.572 55.803 -0.126 0.000 0.838 389 Q CB -0.256 28.435 28.738 -0.079 0.000 0.899 389 Q HN 0.486 nan 8.270 nan 0.000 0.423 390 K N -0.028 120.179 120.400 -0.321 0.000 2.280 390 K HA -0.093 4.227 4.320 -0.000 0.000 0.202 390 K C 1.909 178.365 176.600 -0.239 0.000 1.047 390 K CA 0.872 56.953 56.287 -0.343 0.000 0.942 390 K CB 0.130 32.275 32.500 -0.591 0.000 0.739 390 K HN 0.057 nan 8.250 nan 0.000 0.457 391 V N 1.844 121.587 119.914 -0.286 0.000 2.331 391 V HA -0.151 3.969 4.120 -0.000 0.000 0.242 391 V C 2.079 178.008 176.094 -0.274 0.000 1.034 391 V CA 1.248 63.370 62.300 -0.297 0.000 1.027 391 V CB -0.384 31.177 31.823 -0.437 0.000 0.667 391 V HN 0.344 nan 8.190 nan 0.000 0.457 392 L N -1.378 119.716 121.223 -0.216 0.000 2.551 392 L HA 0.000 4.340 4.340 -0.000 0.000 0.228 392 L C 1.566 178.352 176.870 -0.141 0.000 1.153 392 L CA 1.495 56.231 54.840 -0.174 0.000 0.851 392 L CB -0.618 41.375 42.059 -0.110 0.000 0.959 392 L HN 0.199 nan 8.230 nan 0.000 0.451 393 D N 0.605 120.922 120.400 -0.139 0.000 2.213 393 D HA -0.002 4.638 4.640 -0.000 0.000 0.205 393 D C 2.323 178.557 176.300 -0.111 0.000 0.961 393 D CA 0.745 54.681 54.000 -0.106 0.000 0.853 393 D CB 0.170 40.910 40.800 -0.100 0.000 0.967 393 D HN 0.301 nan 8.370 nan 0.000 0.496 394 I N 0.578 121.064 120.570 -0.139 0.000 2.315 394 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 394 I C 1.972 178.005 176.117 -0.141 0.000 1.117 394 I CA 0.713 61.943 61.300 -0.118 0.000 1.404 394 I CB -0.604 37.330 38.000 -0.110 0.000 1.071 394 I HN -0.013 nan 8.210 nan 0.000 0.419 395 I N 1.245 121.687 120.570 -0.214 0.000 2.439 395 I HA -0.134 4.036 4.170 -0.000 0.000 0.251 395 I C 2.630 178.672 176.117 -0.124 0.000 1.139 395 I CA 1.170 62.353 61.300 -0.195 0.000 1.438 395 I CB -0.680 37.173 38.000 -0.244 0.000 1.085 395 I HN 0.079 nan 8.210 nan 0.000 0.427 396 A N -0.572 122.183 122.820 -0.108 0.000 1.968 396 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 396 A C 2.382 179.928 177.584 -0.063 0.000 1.169 396 A CA 2.083 54.072 52.037 -0.080 0.000 0.638 396 A CB -1.048 17.915 19.000 -0.062 0.000 0.812 396 A HN 0.389 nan 8.150 nan 0.000 0.446 397 T N 1.040 115.558 114.554 -0.059 0.000 2.777 397 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 397 T C 1.523 176.204 174.700 -0.031 0.000 1.040 397 T CA 1.642 63.719 62.100 -0.038 0.000 1.141 397 T CB -0.522 68.328 68.868 -0.030 0.000 0.868 397 T HN 0.689 nan 8.240 nan 0.000 0.444 398 I N 0.211 120.760 120.570 -0.035 0.000 3.550 398 I HA 0.276 4.446 4.170 -0.000 0.000 0.295 398 I C 0.387 176.482 176.117 -0.037 0.000 1.291 398 I CA -0.299 60.987 61.300 -0.023 0.000 1.298 398 I CB -1.607 36.390 38.000 -0.005 0.000 1.026 398 I HN 0.200 nan 8.210 nan 0.000 0.491 399 N N 1.080 119.749 118.700 -0.052 0.000 2.726 399 N HA -0.200 4.540 4.740 -0.000 0.000 0.253 399 N C -0.645 174.807 175.510 -0.098 0.000 1.059 399 N CA 0.515 53.527 53.050 -0.064 0.000 0.701 399 N CB -0.526 37.936 38.487 -0.042 0.000 0.899 399 N HN 0.634 nan 8.380 nan 0.000 0.548 400 K N -0.647 119.672 120.400 -0.136 0.000 2.522 400 K HA 0.599 4.919 4.320 -0.000 0.000 0.275 400 K C 0.303 176.718 176.600 -0.309 0.000 1.006 400 K CA -0.458 55.696 56.287 -0.222 0.000 0.890 400 K CB 1.437 33.843 32.500 -0.156 0.000 1.475 400 K HN 0.112 nan 8.250 nan 0.000 0.441 401 G N 0.027 108.466 108.800 -0.601 0.000 2.557 401 G HA2 0.474 4.434 3.960 -0.000 0.000 0.292 401 G HA3 0.474 4.434 3.960 -0.000 0.000 0.292 401 G C -0.880 173.935 174.900 -0.142 0.000 1.237 401 G CA -0.298 44.434 45.100 -0.613 0.000 0.978 401 G HN 0.319 nan 8.290 nan 0.000 0.498 402 S N -0.942 114.837 115.700 0.132 0.000 2.575 402 S HA 0.512 4.982 4.470 -0.000 0.000 0.278 402 S C -0.729 173.907 174.600 0.060 0.000 1.139 402 S CA -0.353 57.898 58.200 0.086 0.000 0.954 402 S CB 1.419 64.604 63.200 -0.025 0.000 1.054 402 S HN 0.483 nan 8.310 nan 0.000 0.483 403 I N 2.380 122.881 120.570 -0.114 0.000 2.474 403 I HA 0.697 4.867 4.170 -0.000 0.000 0.294 403 I C -0.872 174.803 176.117 -0.737 0.000 1.005 403 I CA -0.965 60.072 61.300 -0.438 0.000 1.113 403 I CB 1.883 39.547 38.000 -0.561 0.000 1.289 403 I HN 0.253 nan 8.210 nan 0.000 0.436 404 V N 4.024 123.554 119.914 -0.639 0.000 2.971 404 V HA 0.339 4.459 4.120 -0.000 0.000 0.309 404 V C -0.966 175.015 176.094 -0.189 0.000 1.130 404 V CA -0.711 61.365 62.300 -0.373 0.000 0.964 404 V CB 2.377 34.136 31.823 -0.107 0.000 1.029 404 V HN 0.634 nan 8.190 nan 0.000 0.427 405 W N 2.177 123.615 121.300 0.230 0.000 2.137 405 W HA 0.216 4.876 4.660 -0.000 0.000 0.344 405 W C 1.779 178.463 176.519 0.275 0.000 1.286 405 W CA 0.165 57.709 57.345 0.332 0.000 1.240 405 W CB 0.492 30.179 29.460 0.378 0.000 1.141 405 W HN 0.785 nan 8.180 nan 0.000 0.579 406 Q N 0.029 120.198 119.800 0.614 0.000 2.297 406 Q HA -0.243 4.097 4.340 -0.000 0.000 0.208 406 Q C 1.180 177.398 176.000 0.364 0.000 0.981 406 Q CA 1.839 57.866 55.803 0.373 0.000 0.876 406 Q CB -0.151 28.741 28.738 0.257 0.000 0.921 406 Q HN 0.583 nan 8.270 nan 0.000 0.446 407 E N 0.933 121.384 120.200 0.419 0.000 2.097 407 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 407 E C 2.019 178.788 176.600 0.282 0.000 1.000 407 E CA 1.745 58.342 56.400 0.329 0.000 0.804 407 E CB -0.194 29.714 29.700 0.346 0.000 0.740 407 E HN 0.234 nan 8.360 nan 0.000 0.454 408 V N 0.416 120.503 119.914 0.290 0.000 2.407 408 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 408 V C 1.931 178.126 176.094 0.168 0.000 1.055 408 V CA 1.849 64.281 62.300 0.220 0.000 1.049 408 V CB -0.466 31.470 31.823 0.189 0.000 0.662 408 V HN 0.279 nan 8.190 nan 0.000 0.455 409 F N 1.532 121.503 119.950 0.035 0.000 2.163 409 F HA -0.110 4.417 4.527 -0.000 0.000 0.297 409 F C 2.052 177.875 175.800 0.038 0.000 1.094 409 F CA 1.748 59.735 58.000 -0.022 0.000 1.290 409 F CB -0.231 38.727 39.000 -0.071 0.000 1.017 409 F HN 0.208 nan 8.300 nan 0.000 0.483 410 D N 0.003 120.479 120.400 0.127 0.000 2.219 410 D HA -0.118 4.521 4.640 -0.000 0.000 0.205 410 D C 0.963 177.257 176.300 -0.010 0.000 0.970 410 D CA 1.109 55.131 54.000 0.037 0.000 0.851 410 D CB -0.443 40.445 40.800 0.147 0.000 0.943 410 D HN 0.349 nan 8.370 nan 0.000 0.488 411 D N 0.593 121.022 120.400 0.047 0.000 2.434 411 D HA 0.042 4.682 4.640 -0.000 0.000 0.232 411 D C -0.249 176.061 176.300 0.016 0.000 1.166 411 D CA -0.130 53.914 54.000 0.074 0.000 0.830 411 D CB -0.011 40.898 40.800 0.182 0.000 0.960 411 D HN -0.099 nan 8.370 nan 0.000 0.497 412 K N 0.391 120.735 120.400 -0.093 0.000 4.418 412 K HA -0.166 4.154 4.320 -0.000 0.000 0.285 412 K C -0.448 176.139 176.600 -0.022 0.000 0.874 412 K CA 0.380 56.600 56.287 -0.112 0.000 0.844 412 K CB -1.417 31.038 32.500 -0.075 0.000 1.691 412 K HN 0.273 nan 8.250 nan 0.000 0.433 413 A N 2.222 125.032 122.820 -0.017 0.000 2.324 413 A HA 0.522 4.842 4.320 -0.000 0.000 0.330 413 A C -0.143 177.464 177.584 0.038 0.000 1.165 413 A CA -0.896 51.164 52.037 0.037 0.000 0.813 413 A CB 0.694 19.729 19.000 0.058 0.000 1.197 413 A HN 0.191 nan 8.150 nan 0.000 0.484 414 K N 3.119 123.559 120.400 0.066 0.000 2.095 414 K HA 0.140 4.460 4.320 -0.000 0.000 0.258 414 K C -0.703 175.950 176.600 0.090 0.000 1.120 414 K CA 0.530 56.870 56.287 0.089 0.000 1.026 414 K CB -0.599 31.952 32.500 0.084 0.000 1.256 414 K HN 0.549 nan 8.250 nan 0.000 0.360 415 L N 2.084 123.378 121.223 0.117 0.000 2.290 415 L HA 0.221 4.561 4.340 -0.000 0.000 0.284 415 L C 0.837 177.883 176.870 0.293 0.000 1.078 415 L CA -0.645 54.254 54.840 0.099 0.000 0.815 415 L CB 0.964 42.892 42.059 -0.219 0.000 1.162 415 L HN 0.442 nan 8.230 nan 0.000 0.435 416 A N 5.887 128.819 122.820 0.188 0.000 2.466 416 A HA 0.401 4.721 4.320 -0.000 0.000 0.238 416 A C -2.217 175.524 177.584 0.262 0.000 1.074 416 A CA -0.997 51.144 52.037 0.175 0.000 0.774 416 A CB -0.457 18.592 19.000 0.081 0.000 1.015 416 A HN 0.473 nan 8.150 nan 0.000 0.498 417 P HA 0.279 nan 4.420 nan 0.000 0.265 417 P C 0.910 178.281 177.300 0.118 0.000 1.193 417 P CA 1.781 64.931 63.100 0.083 0.000 0.765 417 P CB 0.603 32.309 31.700 0.009 0.000 0.823 418 G N 1.354 110.237 108.800 0.139 0.000 2.175 418 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.244 418 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.244 418 G C 0.202 175.232 174.900 0.217 0.000 0.982 418 G CA -0.124 45.069 45.100 0.156 0.000 0.641 418 G HN 0.586 nan 8.290 nan 0.000 0.527 419 T N 1.896 116.619 114.554 0.283 0.000 2.814 419 T HA 0.528 4.878 4.350 -0.000 0.000 0.297 419 T C 0.953 175.721 174.700 0.113 0.000 0.956 419 T CA 0.070 62.276 62.100 0.177 0.000 1.123 419 T CB 1.023 69.945 68.868 0.091 0.000 0.902 419 T HN 0.337 nan 8.240 nan 0.000 0.528 420 I N 3.186 123.752 120.570 -0.008 0.000 2.428 420 I HA 0.316 4.486 4.170 -0.000 0.000 0.289 420 I C -0.089 175.892 176.117 -0.226 0.000 1.019 420 I CA -0.764 60.450 61.300 -0.143 0.000 1.351 420 I CB 1.039 38.873 38.000 -0.278 0.000 1.412 420 I HN 0.220 nan 8.210 nan 0.000 0.513 421 V N 5.822 125.597 119.914 -0.232 0.000 2.409 421 V HA 0.246 4.366 4.120 -0.000 0.000 0.291 421 V C -0.015 175.954 176.094 -0.208 0.000 1.020 421 V CA -0.622 61.543 62.300 -0.225 0.000 0.848 421 V CB 1.580 33.247 31.823 -0.260 0.000 0.990 421 V HN 0.725 nan 8.190 nan 0.000 0.430 422 E N 3.721 123.825 120.200 -0.160 0.000 2.174 422 E HA 0.516 4.866 4.350 -0.000 0.000 0.282 422 E C -1.262 175.480 176.600 0.237 0.000 0.992 422 E CA -0.484 55.873 56.400 -0.072 0.000 0.803 422 E CB 1.774 31.312 29.700 -0.269 0.000 1.090 422 E HN 0.491 nan 8.360 nan 0.000 0.396 423 V N 7.289 127.323 119.914 0.200 0.000 2.383 423 V HA 0.154 4.274 4.120 -0.000 0.000 0.275 423 V C 0.487 176.822 176.094 0.401 0.000 1.036 423 V CA -0.336 62.111 62.300 0.245 0.000 0.889 423 V CB 0.642 32.517 31.823 0.085 0.000 0.985 423 V HN 0.854 nan 8.190 nan 0.000 0.459 424 W N 3.233 124.714 121.300 0.302 0.000 2.835 424 W HA 0.331 4.991 4.660 -0.000 0.000 0.278 424 W C 0.234 176.761 176.519 0.013 0.000 1.075 424 W CA -0.590 56.925 57.345 0.283 0.000 1.439 424 W CB 0.076 29.792 29.460 0.427 0.000 0.927 424 W HN 0.275 nan 8.180 nan 0.000 0.604 425 K N 3.247 123.121 120.400 -0.875 0.000 2.430 425 K HA -0.095 4.225 4.320 -0.000 0.000 0.280 425 K C 0.267 176.656 176.600 -0.351 0.000 1.063 425 K CA 0.599 56.358 56.287 -0.880 0.000 1.071 425 K CB 0.849 32.932 32.500 -0.695 0.000 0.899 425 K HN -0.024 nan 8.250 nan 0.000 0.473 426 D N 1.235 121.453 120.400 -0.303 0.000 2.363 426 D HA -0.079 4.561 4.640 -0.000 0.000 0.226 426 D C -0.037 176.266 176.300 0.004 0.000 1.020 426 D CA 0.467 54.404 54.000 -0.104 0.000 0.892 426 D CB 0.350 41.077 40.800 -0.122 0.000 0.900 426 D HN 0.246 nan 8.370 nan 0.000 0.531 427 S N -0.155 115.505 115.700 -0.067 0.000 2.415 427 S HA 0.504 4.974 4.470 -0.000 0.000 0.313 427 S C 0.054 174.640 174.600 -0.023 0.000 1.067 427 S CA 0.011 58.184 58.200 -0.046 0.000 1.099 427 S CB -0.233 62.915 63.200 -0.087 0.000 0.991 427 S HN 0.378 nan 8.310 nan 0.000 0.491 428 A N 4.213 127.012 122.820 -0.035 0.000 2.251 428 A HA -0.215 4.105 4.320 -0.000 0.000 0.283 428 A C 0.445 177.976 177.584 -0.089 0.000 1.415 428 A CA 1.395 53.365 52.037 -0.111 0.000 0.742 428 A CB -2.567 16.386 19.000 -0.078 0.000 1.151 428 A HN 1.479 nan 8.150 nan 0.000 0.354 429 Y N -1.148 119.115 120.300 -0.061 0.000 2.373 429 Y HA 0.143 4.693 4.550 -0.000 0.000 0.293 429 Y C -0.389 175.492 175.900 -0.032 0.000 1.129 429 Y CA 0.474 58.538 58.100 -0.060 0.000 1.226 429 Y CB -1.550 36.867 38.460 -0.071 0.000 1.000 429 Y HN 0.438 nan 8.280 nan 0.000 0.549 430 P HA -0.154 nan 4.420 nan 0.000 0.213 430 P C 1.293 178.606 177.300 0.021 0.000 1.170 430 P CA 1.997 65.041 63.100 -0.093 0.000 0.898 430 P CB 0.049 31.637 31.700 -0.185 0.000 0.787 431 E N -0.525 119.664 120.200 -0.018 0.000 2.265 431 E HA -0.182 4.168 4.350 -0.000 0.000 0.196 431 E C 1.881 178.501 176.600 0.033 0.000 0.996 431 E CA 0.772 57.187 56.400 0.026 0.000 0.832 431 E CB -0.537 29.166 29.700 0.004 0.000 0.756 431 E HN 0.354 nan 8.360 nan 0.000 0.491 432 E N 0.595 120.804 120.200 0.014 0.000 2.170 432 E HA -0.008 4.342 4.350 -0.000 0.000 0.191 432 E C 2.207 178.781 176.600 -0.043 0.000 0.981 432 E CA 0.122 56.536 56.400 0.023 0.000 0.830 432 E CB 0.049 29.768 29.700 0.032 0.000 0.775 432 E HN 0.272 nan 8.360 nan 0.000 0.470 433 L N 0.468 121.626 121.223 -0.109 0.000 2.093 433 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 433 L C 2.483 179.119 176.870 -0.390 0.000 1.085 433 L CA 0.955 55.587 54.840 -0.346 0.000 0.755 433 L CB -0.278 41.410 42.059 -0.619 0.000 0.904 433 L HN 0.005 nan 8.230 nan 0.000 0.435 434 S N -0.561 115.068 115.700 -0.120 0.000 2.382 434 S HA -0.204 4.266 4.470 -0.000 0.000 0.228 434 S C 2.058 176.704 174.600 0.076 0.000 1.027 434 S CA 1.181 59.448 58.200 0.111 0.000 0.991 434 S CB -0.261 63.066 63.200 0.212 0.000 0.823 434 S HN 0.339 nan 8.310 nan 0.000 0.469 435 R N 0.711 121.253 120.500 0.069 0.000 2.092 435 R HA -0.038 4.302 4.340 -0.000 0.000 0.231 435 R C 2.026 178.403 176.300 0.130 0.000 1.119 435 R CA 1.127 57.329 56.100 0.170 0.000 0.970 435 R CB -0.241 30.223 30.300 0.273 0.000 0.864 435 R HN 0.274 nan 8.270 nan 0.000 0.440 436 V N 0.463 120.251 119.914 -0.210 0.000 2.379 436 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 436 V C 2.474 178.491 176.094 -0.128 0.000 1.044 436 V CA 2.179 64.142 62.300 -0.562 0.000 1.036 436 V CB -0.641 30.772 31.823 -0.683 0.000 0.664 436 V HN 0.603 nan 8.190 nan 0.000 0.453 437 T N -0.496 114.012 114.554 -0.076 0.000 2.777 437 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 437 T C 1.962 176.703 174.700 0.069 0.000 1.040 437 T CA 1.455 63.566 62.100 0.019 0.000 1.141 437 T CB -0.576 68.333 68.868 0.069 0.000 0.868 437 T HN 0.452 nan 8.240 nan 0.000 0.444 438 A N 1.099 123.978 122.820 0.099 0.000 2.019 438 A HA 0.018 4.338 4.320 -0.000 0.000 0.219 438 A C 2.581 180.229 177.584 0.108 0.000 1.164 438 A CA 1.825 53.927 52.037 0.108 0.000 0.644 438 A CB -1.052 18.024 19.000 0.126 0.000 0.805 438 A HN 0.543 nan 8.150 nan 0.000 0.449 439 S N -1.611 114.192 115.700 0.171 0.000 2.527 439 S HA 0.305 4.775 4.470 -0.000 0.000 0.222 439 S C 1.190 175.743 174.600 -0.078 0.000 0.985 439 S CA 1.290 59.613 58.200 0.205 0.000 0.921 439 S CB -0.345 63.214 63.200 0.600 0.000 0.772 439 S HN 1.837 nan 8.310 nan 0.000 0.529 440 G N 0.513 109.239 108.800 -0.122 0.000 2.207 440 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 440 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 440 G C -0.349 174.246 174.900 -0.508 0.000 1.053 440 G CA -0.291 44.633 45.100 -0.293 0.000 0.764 440 G HN 0.379 nan 8.290 nan 0.000 0.495 441 F N 0.695 120.636 119.950 -0.015 0.000 2.540 441 F HA 0.587 5.114 4.527 -0.000 0.000 0.317 441 F C -1.816 173.928 175.800 -0.093 0.000 1.104 441 F CA -2.653 55.316 58.000 -0.051 0.000 0.913 441 F CB 2.384 41.336 39.000 -0.080 0.000 1.170 441 F HN -0.103 nan 8.300 nan 0.000 0.450 442 P HA 0.108 nan 4.420 nan 0.000 0.271 442 P C -0.873 176.353 177.300 -0.123 0.000 1.216 442 P CA 0.057 63.140 63.100 -0.029 0.000 0.771 442 P CB 1.945 33.613 31.700 -0.054 0.000 0.864 443 V N 4.896 124.687 119.914 -0.206 0.000 2.680 443 V HA 0.520 4.640 4.120 -0.000 0.000 0.309 443 V C -0.542 175.248 176.094 -0.507 0.000 1.052 443 V CA -1.112 61.010 62.300 -0.296 0.000 0.908 443 V CB 1.586 33.270 31.823 -0.232 0.000 1.001 443 V HN 0.326 nan 8.190 nan 0.000 0.431 444 I N 6.425 126.726 120.570 -0.448 0.000 2.433 444 I HA 0.425 4.595 4.170 -0.000 0.000 0.292 444 I C -0.730 175.236 176.117 -0.252 0.000 1.001 444 I CA -0.713 60.289 61.300 -0.496 0.000 1.119 444 I CB 1.803 39.510 38.000 -0.489 0.000 1.289 444 I HN 0.478 nan 8.210 nan 0.000 0.438 445 L N 5.524 126.640 121.223 -0.178 0.000 2.360 445 L HA 0.559 4.899 4.340 -0.000 0.000 0.271 445 L C 0.636 177.647 176.870 0.234 0.000 1.057 445 L CA 0.710 55.596 54.840 0.076 0.000 0.803 445 L CB 1.630 43.820 42.059 0.219 0.000 1.207 445 L HN 0.787 nan 8.230 nan 0.000 0.445 446 S N 0.841 116.672 115.700 0.218 0.000 2.423 446 S HA 0.149 4.619 4.470 -0.000 0.000 0.243 446 S C 1.160 175.976 174.600 0.359 0.000 0.939 446 S CA 0.132 58.583 58.200 0.419 0.000 1.552 446 S CB -0.913 62.576 63.200 0.481 0.000 1.245 446 S HN 0.784 nan 8.310 nan 0.000 0.635 447 A N 3.596 126.439 122.820 0.040 0.000 1.873 447 A HA 0.075 4.395 4.320 -0.000 0.000 0.218 447 A C 0.208 177.679 177.584 -0.188 0.000 1.193 447 A CA 2.194 54.159 52.037 -0.119 0.000 0.629 447 A CB -1.789 16.946 19.000 -0.442 0.000 0.826 447 A HN 0.603 nan 8.150 nan 0.000 0.447 448 P HA -0.038 nan 4.420 nan 0.000 0.236 448 P C 0.052 177.377 177.300 0.041 0.000 1.177 448 P CA 0.493 63.373 63.100 -0.366 0.000 0.773 448 P CB -0.047 31.247 31.700 -0.677 0.000 0.878 449 W N -0.527 120.976 121.300 0.339 0.000 2.817 449 W HA 0.257 4.917 4.660 -0.000 0.000 0.433 449 W C -0.373 176.280 176.519 0.224 0.000 0.838 449 W CA -0.750 56.771 57.345 0.294 0.000 2.356 449 W CB -0.969 28.592 29.460 0.167 0.000 1.216 449 W HN -0.076 nan 8.180 nan 0.000 0.793 450 Y N 1.520 122.029 120.300 0.347 0.000 2.573 450 Y HA 0.054 4.604 4.550 -0.000 0.000 0.346 450 Y C 1.555 177.590 175.900 0.224 0.000 1.198 450 Y CA 0.314 58.593 58.100 0.299 0.000 1.627 450 Y CB -0.191 38.466 38.460 0.328 0.000 1.457 450 Y HN -0.057 nan 8.280 nan 0.000 0.483 451 L N 1.177 122.438 121.223 0.065 0.000 2.465 451 L HA -0.149 4.191 4.340 -0.000 0.000 0.224 451 L C 1.712 178.635 176.870 0.089 0.000 1.145 451 L CA 1.090 55.898 54.840 -0.053 0.000 0.834 451 L CB -0.264 41.650 42.059 -0.241 0.000 0.944 451 L HN 0.530 nan 8.230 nan 0.000 0.451 452 D N 0.739 121.234 120.400 0.157 0.000 2.178 452 D HA -0.177 4.463 4.640 -0.000 0.000 0.202 452 D C 1.138 177.594 176.300 0.260 0.000 0.974 452 D CA 0.734 54.861 54.000 0.213 0.000 0.841 452 D CB -0.297 40.689 40.800 0.309 0.000 0.953 452 D HN 0.257 nan 8.370 nan 0.000 0.478 453 L N 2.135 123.549 121.223 0.318 0.000 2.382 453 L HA 0.206 4.546 4.340 -0.000 0.000 0.259 453 L C 0.449 177.478 176.870 0.264 0.000 1.291 453 L CA -0.639 54.372 54.840 0.285 0.000 1.176 453 L CB -0.712 41.533 42.059 0.310 0.000 1.373 453 L HN 0.257 nan 8.230 nan 0.000 0.426 454 I N -0.411 120.283 120.570 0.208 0.000 3.004 454 I HA 0.474 4.644 4.170 -0.000 0.000 0.287 454 I C 0.464 176.685 176.117 0.173 0.000 1.144 454 I CA -0.044 61.373 61.300 0.195 0.000 1.353 454 I CB 1.029 39.117 38.000 0.147 0.000 1.417 454 I HN 0.472 nan 8.210 nan 0.000 0.602 455 S N 2.236 118.043 115.700 0.178 0.000 2.565 455 S HA 0.369 4.839 4.470 -0.000 0.000 0.269 455 S C -0.990 173.723 174.600 0.188 0.000 1.153 455 S CA -0.880 57.420 58.200 0.167 0.000 0.835 455 S CB 0.907 64.192 63.200 0.141 0.000 1.122 455 S HN 0.733 nan 8.310 nan 0.000 0.462 456 Y N 2.009 122.356 120.300 0.079 0.000 2.411 456 Y HA 0.487 5.037 4.550 -0.000 0.000 0.333 456 Y C 0.910 176.867 175.900 0.094 0.000 1.186 456 Y CA 2.030 60.180 58.100 0.084 0.000 1.381 456 Y CB -0.006 38.492 38.460 0.064 0.000 1.273 456 Y HN 1.664 nan 8.280 nan 0.000 0.546 457 G N 4.233 112.681 108.800 -0.587 0.000 2.660 457 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.247 457 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.247 457 G C -1.033 173.836 174.900 -0.051 0.000 1.328 457 G CA -0.487 44.407 45.100 -0.343 0.000 0.884 457 G HN 0.765 nan 8.290 nan 0.000 0.531 458 Q N 1.124 120.938 119.800 0.022 0.000 3.026 458 Q HA 0.181 4.521 4.340 -0.000 0.000 0.258 458 Q C 0.930 176.897 176.000 -0.056 0.000 1.388 458 Q CA 0.343 56.229 55.803 0.139 0.000 1.000 458 Q CB 0.063 28.890 28.738 0.149 0.000 1.634 458 Q HN 0.631 nan 8.270 nan 0.000 0.571 459 D N 0.718 121.171 120.400 0.088 0.000 2.350 459 D HA -0.208 4.432 4.640 -0.000 0.000 0.216 459 D C 1.353 177.712 176.300 0.097 0.000 0.968 459 D CA 0.332 54.346 54.000 0.025 0.000 0.894 459 D CB -0.387 40.491 40.800 0.131 0.000 0.909 459 D HN 0.708 nan 8.370 nan 0.000 0.520 460 W N 1.880 123.350 121.300 0.284 0.000 2.421 460 W HA -0.033 4.627 4.660 -0.000 0.000 0.270 460 W C 1.408 178.148 176.519 0.367 0.000 1.233 460 W CA 0.076 57.673 57.345 0.422 0.000 1.226 460 W CB -0.760 28.866 29.460 0.277 0.000 1.121 460 W HN -0.045 nan 8.180 nan 0.000 0.579 461 R N 1.794 121.896 120.500 -0.664 0.000 2.066 461 R HA -0.158 4.182 4.340 -0.000 0.000 0.232 461 R C 2.369 178.616 176.300 -0.088 0.000 1.131 461 R CA 2.311 58.030 56.100 -0.635 0.000 0.955 461 R CB -0.625 29.206 30.300 -0.781 0.000 0.851 461 R HN 0.276 nan 8.270 nan 0.000 0.432 462 K N -0.231 120.076 120.400 -0.154 0.000 2.362 462 K HA -0.114 4.206 4.320 -0.000 0.000 0.200 462 K C 1.092 177.718 176.600 0.044 0.000 1.046 462 K CA 1.322 57.546 56.287 -0.105 0.000 0.952 462 K CB -0.089 32.278 32.500 -0.223 0.000 0.753 462 K HN 0.181 nan 8.250 nan 0.000 0.466 463 Y N -0.729 119.785 120.300 0.356 0.000 2.519 463 Y HA -0.009 4.541 4.550 -0.000 0.000 0.287 463 Y C 1.865 178.176 175.900 0.686 0.000 1.128 463 Y CA 0.195 58.653 58.100 0.596 0.000 1.282 463 Y CB -0.250 38.572 38.460 0.603 0.000 1.027 463 Y HN 0.147 nan 8.280 nan 0.000 0.551 464 Y N 0.646 121.261 120.300 0.526 0.000 2.436 464 Y HA 0.074 4.624 4.550 -0.000 0.000 0.288 464 Y C 1.804 177.912 175.900 0.347 0.000 1.112 464 Y CA 0.925 59.304 58.100 0.465 0.000 1.220 464 Y CB 0.041 38.802 38.460 0.501 0.000 1.073 464 Y HN -0.143 nan 8.280 nan 0.000 0.552 465 K N 0.132 120.698 120.400 0.276 0.000 2.365 465 K HA 0.027 4.347 4.320 -0.000 0.000 0.199 465 K C 0.264 176.936 176.600 0.120 0.000 1.045 465 K CA 0.363 56.730 56.287 0.133 0.000 0.962 465 K CB -0.061 32.507 32.500 0.114 0.000 0.759 465 K HN -0.013 nan 8.250 nan 0.000 0.469 466 V N 2.906 122.951 119.914 0.219 0.000 2.509 466 V HA -0.077 4.043 4.120 -0.000 0.000 0.297 466 V C 0.178 176.400 176.094 0.212 0.000 1.014 466 V CA 0.316 62.743 62.300 0.212 0.000 1.127 466 V CB 0.394 32.348 31.823 0.219 0.000 0.925 466 V HN 0.184 nan 8.190 nan 0.000 0.480 467 E N 9.189 129.474 120.200 0.140 0.000 2.073 467 E HA 0.360 4.710 4.350 -0.000 0.000 0.269 467 E C -1.604 175.068 176.600 0.119 0.000 0.917 467 E CA -2.343 54.129 56.400 0.120 0.000 0.757 467 E CB 1.497 31.229 29.700 0.054 0.000 1.111 467 E HN 0.357 nan 8.360 nan 0.000 0.410 468 P HA -0.069 nan 4.420 nan 0.000 0.236 468 P C -0.077 177.159 177.300 -0.106 0.000 1.172 468 P CA 0.683 63.804 63.100 0.034 0.000 0.759 468 P CB 0.225 31.931 31.700 0.010 0.000 0.843 469 L N 0.395 121.585 121.223 -0.056 0.000 2.709 469 L HA 0.299 4.639 4.340 -0.000 0.000 0.236 469 L C 0.129 176.907 176.870 -0.153 0.000 1.266 469 L CA -0.064 54.686 54.840 -0.149 0.000 0.987 469 L CB 0.468 42.429 42.059 -0.163 0.000 1.306 469 L HN -0.290 nan 8.230 nan 0.000 0.467 470 D N 0.156 120.517 120.400 -0.066 0.000 2.500 470 D HA 0.094 4.734 4.640 -0.000 0.000 0.217 470 D C 0.112 176.380 176.300 -0.054 0.000 1.159 470 D CA 0.011 53.964 54.000 -0.078 0.000 0.828 470 D CB 0.519 41.292 40.800 -0.046 0.000 1.039 470 D HN 0.211 nan 8.370 nan 0.000 0.512 471 F N 0.278 120.181 119.950 -0.079 0.000 2.375 471 F HA 0.711 5.238 4.527 -0.000 0.000 0.333 471 F C 0.941 176.719 175.800 -0.037 0.000 1.104 471 F CA -1.573 56.394 58.000 -0.056 0.000 1.149 471 F CB 0.534 39.516 39.000 -0.030 0.000 1.190 471 F HN -0.168 nan 8.300 nan 0.000 0.533 472 G N 0.704 109.551 108.800 0.079 0.000 2.406 472 G HA2 0.487 4.447 3.960 -0.000 0.000 0.251 472 G HA3 0.487 4.447 3.960 -0.000 0.000 0.251 472 G C -0.187 174.753 174.900 0.067 0.000 1.271 472 G CA -0.009 45.093 45.100 0.003 0.000 0.859 472 G HN 1.479 nan 8.290 nan 0.000 0.540 473 G N -0.204 108.574 108.800 -0.038 0.000 2.352 473 G HA2 0.458 4.418 3.960 -0.000 0.000 0.303 473 G HA3 0.458 4.418 3.960 -0.000 0.000 0.303 473 G C -0.355 174.520 174.900 -0.041 0.000 1.593 473 G CA -0.002 45.115 45.100 0.029 0.000 0.963 473 G HN 0.870 nan 8.290 nan 0.000 0.685 474 T N -0.581 113.977 114.554 0.008 0.000 2.667 474 T HA 0.267 4.617 4.350 -0.000 0.000 0.305 474 T C 1.915 176.612 174.700 -0.005 0.000 1.022 474 T CA 0.926 63.022 62.100 -0.007 0.000 0.995 474 T CB 0.570 69.445 68.868 0.011 0.000 1.026 474 T HN 0.530 nan 8.240 nan 0.000 0.527 475 Q N 0.353 120.149 119.800 -0.007 0.000 2.224 475 Q HA 0.026 4.366 4.340 -0.000 0.000 0.203 475 Q C 2.194 178.219 176.000 0.041 0.000 0.970 475 Q CA 1.042 56.848 55.803 0.004 0.000 0.865 475 Q CB -0.113 28.623 28.738 -0.004 0.000 0.922 475 Q HN 0.417 nan 8.270 nan 0.000 0.445 476 K N 1.032 121.458 120.400 0.043 0.000 2.026 476 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 476 K C 1.799 178.452 176.600 0.088 0.000 1.048 476 K CA 1.581 57.900 56.287 0.054 0.000 0.929 476 K CB 0.050 32.574 32.500 0.040 0.000 0.713 476 K HN 0.380 nan 8.250 nan 0.000 0.439 477 Q N 0.134 120.002 119.800 0.112 0.000 2.119 477 Q HA -0.093 4.247 4.340 -0.000 0.000 0.201 477 Q C 1.905 178.071 176.000 0.276 0.000 0.972 477 Q CA 1.267 57.178 55.803 0.180 0.000 0.847 477 Q CB -0.006 28.865 28.738 0.222 0.000 0.903 477 Q HN 0.269 nan 8.270 nan 0.000 0.433 478 K N 0.535 121.085 120.400 0.250 0.000 2.439 478 K HA -0.081 4.239 4.320 -0.000 0.000 0.197 478 K C 1.630 178.400 176.600 0.283 0.000 1.041 478 K CA 0.549 57.024 56.287 0.314 0.000 0.970 478 K CB 0.160 32.718 32.500 0.096 0.000 0.773 478 K HN 0.267 nan 8.250 nan 0.000 0.479 479 Q N 0.241 120.158 119.800 0.195 0.000 2.451 479 Q HA 0.072 4.412 4.340 -0.000 0.000 0.206 479 Q C 1.504 177.603 176.000 0.165 0.000 0.947 479 Q CA 0.362 56.263 55.803 0.163 0.000 0.937 479 Q CB 0.269 29.066 28.738 0.098 0.000 1.025 479 Q HN 0.297 nan 8.270 nan 0.000 0.511 480 L N -0.587 120.744 121.223 0.180 0.000 2.509 480 L HA 0.099 4.439 4.340 -0.000 0.000 0.222 480 L C 0.457 177.405 176.870 0.129 0.000 1.123 480 L CA -0.240 54.673 54.840 0.122 0.000 0.856 480 L CB 0.186 42.298 42.059 0.088 0.000 0.985 480 L HN 0.156 nan 8.230 nan 0.000 0.456 481 F N 2.250 122.254 119.950 0.090 0.000 2.494 481 F HA 0.092 4.619 4.527 -0.000 0.000 0.351 481 F C 1.412 177.259 175.800 0.078 0.000 1.205 481 F CA -0.352 57.682 58.000 0.056 0.000 1.125 481 F CB 0.330 39.425 39.000 0.158 0.000 1.268 481 F HN -0.009 nan 8.300 nan 0.000 0.593 482 I N 2.539 122.951 120.570 -0.262 0.000 3.419 482 I HA 0.466 4.636 4.170 -0.000 0.000 0.286 482 I C 0.979 177.003 176.117 -0.154 0.000 1.268 482 I CA 0.685 61.916 61.300 -0.114 0.000 1.414 482 I CB -0.604 37.290 38.000 -0.177 0.000 1.074 482 I HN 0.628 nan 8.210 nan 0.000 0.457 483 G N 0.254 108.630 108.800 -0.706 0.000 2.334 483 G HA2 0.395 4.355 3.960 -0.000 0.000 0.249 483 G HA3 0.395 4.355 3.960 -0.000 0.000 0.249 483 G C -0.829 173.727 174.900 -0.573 0.000 1.327 483 G CA -0.374 44.356 45.100 -0.617 0.000 0.979 483 G HN 0.612 nan 8.290 nan 0.000 0.471 484 G N -1.284 107.454 108.800 -0.103 0.000 2.687 484 G HA2 0.718 4.678 3.960 -0.000 0.000 0.291 484 G HA3 0.718 4.678 3.960 -0.000 0.000 0.291 484 G C -1.666 173.358 174.900 0.206 0.000 1.420 484 G CA -0.200 44.975 45.100 0.126 0.000 0.796 484 G HN 0.671 nan 8.290 nan 0.000 0.485 485 E N -1.163 119.199 120.200 0.271 0.000 2.340 485 E HA 0.587 4.937 4.350 -0.000 0.000 0.273 485 E C -0.786 175.947 176.600 0.221 0.000 0.891 485 E CA -0.973 55.546 56.400 0.197 0.000 0.757 485 E CB 2.654 32.420 29.700 0.110 0.000 1.231 485 E HN 0.708 nan 8.360 nan 0.000 0.439 486 A N 1.566 124.422 122.820 0.060 0.000 2.288 486 A HA 0.544 4.864 4.320 -0.000 0.000 0.320 486 A C -0.613 176.873 177.584 -0.163 0.000 1.217 486 A CA -0.489 51.535 52.037 -0.021 0.000 0.840 486 A CB 0.350 19.254 19.000 -0.159 0.000 1.179 486 A HN 0.649 nan 8.150 nan 0.000 0.504 487 C N 1.879 121.061 119.300 -0.196 0.000 2.376 487 C HA 0.694 5.154 4.460 -0.000 0.000 0.335 487 C C -0.170 174.561 174.990 -0.432 0.000 1.229 487 C CA -0.376 58.384 59.018 -0.430 0.000 1.867 487 C CB 0.747 28.091 27.740 -0.659 0.000 2.319 487 C HN 0.814 nan 8.230 nan 0.000 0.515 488 L N 3.114 124.026 121.223 -0.518 0.000 2.490 488 L HA 0.472 4.812 4.340 -0.000 0.000 0.256 488 L C -1.057 175.613 176.870 -0.333 0.000 1.089 488 L CA -0.061 54.579 54.840 -0.333 0.000 0.916 488 L CB 0.025 41.904 42.059 -0.299 0.000 1.188 488 L HN 0.802 nan 8.230 nan 0.000 0.476 489 W N 2.630 123.840 121.300 -0.151 0.000 2.170 489 W HA 0.472 5.132 4.660 -0.000 0.000 0.336 489 W C 1.461 177.944 176.519 -0.059 0.000 1.283 489 W CA 0.077 57.337 57.345 -0.141 0.000 1.224 489 W CB 1.000 30.370 29.460 -0.149 0.000 1.132 489 W HN 0.654 nan 8.180 nan 0.000 0.571 490 G N 0.968 109.890 108.800 0.204 0.000 3.448 490 G HA2 0.003 3.963 3.960 -0.000 0.000 0.261 490 G HA3 0.003 3.963 3.960 -0.000 0.000 0.261 490 G C 0.894 175.918 174.900 0.208 0.000 1.173 490 G CA -0.178 45.039 45.100 0.196 0.000 0.835 490 G HN 0.468 nan 8.290 nan 0.000 0.534 491 E N 0.197 120.419 120.200 0.037 0.000 2.085 491 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 491 E C 0.483 176.828 176.600 -0.425 0.000 0.994 491 E CA 1.312 57.527 56.400 -0.308 0.000 0.801 491 E CB -0.144 29.218 29.700 -0.564 0.000 0.743 491 E HN 0.671 nan 8.360 nan 0.000 0.453 492 Y N -1.721 118.702 120.300 0.205 0.000 2.738 492 Y HA 0.363 4.913 4.550 -0.000 0.000 0.249 492 Y C -0.622 175.303 175.900 0.041 0.000 1.153 492 Y CA -0.487 57.697 58.100 0.141 0.000 1.165 492 Y CB 0.917 39.436 38.460 0.098 0.000 1.235 492 Y HN -0.258 nan 8.280 nan 0.000 0.559 493 V N 2.304 122.296 119.914 0.130 0.000 2.531 493 V HA 0.487 4.607 4.120 -0.000 0.000 0.301 493 V C -0.649 175.389 176.094 -0.094 0.000 1.034 493 V CA -0.629 61.682 62.300 0.019 0.000 0.865 493 V CB 1.916 33.770 31.823 0.053 0.000 0.995 493 V HN 0.343 nan 8.190 nan 0.000 0.424 494 D N 4.121 124.423 120.400 -0.163 0.000 3.009 494 D HA 0.459 5.099 4.640 -0.000 0.000 0.318 494 D C 1.044 177.307 176.300 -0.062 0.000 1.273 494 D CA 0.087 54.008 54.000 -0.131 0.000 1.001 494 D CB 1.515 42.143 40.800 -0.286 0.000 1.411 494 D HN 0.446 nan 8.370 nan 0.000 0.577 495 A N -0.422 122.381 122.820 -0.028 0.000 2.024 495 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 495 A C 1.969 179.541 177.584 -0.020 0.000 1.164 495 A CA 3.142 55.169 52.037 -0.017 0.000 0.643 495 A CB -1.471 17.533 19.000 0.006 0.000 0.806 495 A HN 0.739 nan 8.150 nan 0.000 0.451 496 T N -1.866 112.670 114.554 -0.029 0.000 3.035 496 T HA -0.071 4.278 4.350 -0.000 0.000 0.268 496 T C 0.951 175.642 174.700 -0.015 0.000 1.109 496 T CA 1.303 63.391 62.100 -0.020 0.000 1.119 496 T CB -0.284 68.571 68.868 -0.023 0.000 0.900 496 T HN 0.683 nan 8.240 nan 0.000 0.503 497 N N -0.386 118.301 118.700 -0.022 0.000 2.081 497 N HA 0.166 4.906 4.740 -0.000 0.000 0.230 497 N C 1.065 176.565 175.510 -0.017 0.000 1.351 497 N CA -0.187 52.857 53.050 -0.010 0.000 0.840 497 N CB -0.624 37.863 38.487 -0.000 0.000 1.189 497 N HN 0.375 nan 8.380 nan 0.000 0.503 498 L N 0.813 122.018 121.223 -0.030 0.000 1.994 498 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 498 L C 1.665 178.501 176.870 -0.055 0.000 1.071 498 L CA 1.881 56.688 54.840 -0.055 0.000 0.745 498 L CB -0.586 41.436 42.059 -0.062 0.000 0.892 498 L HN 0.098 nan 8.230 nan 0.000 0.431 499 T N 0.376 114.935 114.554 0.008 0.000 2.674 499 T HA -0.080 4.270 4.350 -0.000 0.000 0.265 499 T C -0.581 174.172 174.700 0.088 0.000 1.039 499 T CA 1.761 63.923 62.100 0.102 0.000 1.150 499 T CB -1.166 67.773 68.868 0.118 0.000 0.864 499 T HN 0.336 nan 8.240 nan 0.000 0.427 500 P HA -0.021 nan 4.420 nan 0.000 0.216 500 P C 1.483 178.799 177.300 0.027 0.000 1.153 500 P CA 1.052 64.178 63.100 0.043 0.000 0.848 500 P CB -0.026 31.691 31.700 0.029 0.000 0.787 501 R N -0.547 119.953 120.500 0.001 0.000 2.115 501 R HA -0.012 4.328 4.340 -0.000 0.000 0.226 501 R C 2.139 178.400 176.300 -0.065 0.000 1.100 501 R CA 0.906 57.001 56.100 -0.007 0.000 0.980 501 R CB -0.698 29.601 30.300 -0.002 0.000 0.875 501 R HN 0.180 nan 8.270 nan 0.000 0.445 502 L N -0.862 120.262 121.223 -0.164 0.000 2.130 502 L HA 0.040 4.380 4.340 -0.000 0.000 0.200 502 L C 1.517 178.146 176.870 -0.401 0.000 1.075 502 L CA 0.790 55.400 54.840 -0.383 0.000 0.768 502 L CB -0.237 41.440 42.059 -0.636 0.000 0.933 502 L HN 0.265 nan 8.230 nan 0.000 0.451 503 W N 0.720 121.979 121.300 -0.068 0.000 2.465 503 W HA -0.070 4.590 4.660 -0.000 0.000 0.268 503 W C -0.710 175.773 176.519 -0.060 0.000 1.242 503 W CA 0.203 57.506 57.345 -0.069 0.000 1.248 503 W CB -0.819 28.589 29.460 -0.086 0.000 1.118 503 W HN 0.312 nan 8.180 nan 0.000 0.587 504 P HA 0.007 nan 4.420 nan 0.000 0.218 504 P C 0.998 178.322 177.300 0.040 0.000 1.151 504 P CA 1.355 64.481 63.100 0.045 0.000 0.850 504 P CB 0.009 31.694 31.700 -0.025 0.000 0.801 505 R N 0.143 120.695 120.500 0.086 0.000 2.148 505 R HA 0.156 4.496 4.340 -0.000 0.000 0.223 505 R C 2.266 178.649 176.300 0.138 0.000 1.088 505 R CA 1.107 57.317 56.100 0.184 0.000 0.985 505 R CB -0.869 29.555 30.300 0.207 0.000 0.880 505 R HN 0.106 nan 8.270 nan 0.000 0.451 506 A N 0.757 123.584 122.820 0.012 0.000 2.067 506 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 506 A C 2.025 179.820 177.584 0.352 0.000 1.158 506 A CA 1.171 53.189 52.037 -0.032 0.000 0.661 506 A CB -0.198 18.471 19.000 -0.551 0.000 0.801 506 A HN 0.171 nan 8.150 nan 0.000 0.452 507 S N 0.141 116.093 115.700 0.421 0.000 2.383 507 S HA -0.037 4.433 4.470 -0.000 0.000 0.227 507 S C 2.309 177.345 174.600 0.726 0.000 1.026 507 S CA 1.033 59.570 58.200 0.562 0.000 0.981 507 S CB -0.419 62.855 63.200 0.123 0.000 0.818 507 S HN 0.803 nan 8.310 nan 0.000 0.472 508 A N 1.252 124.444 122.820 0.620 0.000 1.948 508 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 508 A C 2.299 180.217 177.584 0.556 0.000 1.177 508 A CA 1.700 54.225 52.037 0.814 0.000 0.636 508 A CB -0.878 18.634 19.000 0.853 0.000 0.815 508 A HN 0.370 nan 8.150 nan 0.000 0.449 509 V N -0.311 119.764 119.914 0.268 0.000 2.453 509 V HA -0.110 4.010 4.120 -0.000 0.000 0.247 509 V C 2.770 178.827 176.094 -0.060 0.000 1.048 509 V CA 1.655 63.867 62.300 -0.148 0.000 1.049 509 V CB -1.412 30.191 31.823 -0.366 0.000 0.672 509 V HN 0.604 nan 8.190 nan 0.000 0.457 510 G N -0.148 108.723 108.800 0.119 0.000 2.421 510 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.216 510 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.216 510 G C 1.522 176.353 174.900 -0.115 0.000 1.171 510 G CA 1.027 45.961 45.100 -0.276 0.000 0.775 510 G HN 0.585 nan 8.290 nan 0.000 0.543 511 E N 0.130 120.327 120.200 -0.005 0.000 2.047 511 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 511 E C 2.487 179.085 176.600 -0.003 0.000 0.987 511 E CA 1.025 57.325 56.400 -0.168 0.000 0.799 511 E CB -0.126 29.235 29.700 -0.566 0.000 0.752 511 E HN 0.265 nan 8.360 nan 0.000 0.449 512 R N 0.358 120.890 120.500 0.054 0.000 2.159 512 R HA -0.068 4.272 4.340 -0.000 0.000 0.237 512 R C 1.920 178.327 176.300 0.179 0.000 1.131 512 R CA 1.263 57.403 56.100 0.067 0.000 0.982 512 R CB -0.238 30.119 30.300 0.094 0.000 0.868 512 R HN 0.316 nan 8.270 nan 0.000 0.453 513 L N -1.256 120.052 121.223 0.142 0.000 2.529 513 L HA 0.072 4.412 4.340 -0.000 0.000 0.223 513 L C 1.807 178.853 176.870 0.292 0.000 1.113 513 L CA -0.034 54.995 54.840 0.315 0.000 0.861 513 L CB -0.135 41.998 42.059 0.123 0.000 1.012 513 L HN 0.360 nan 8.230 nan 0.000 0.461 514 W N 0.060 121.340 121.300 -0.034 0.000 2.922 514 W HA 0.183 4.843 4.660 -0.000 0.000 0.260 514 W C 0.998 177.452 176.519 -0.110 0.000 1.088 514 W CA 0.116 57.414 57.345 -0.080 0.000 1.694 514 W CB 0.171 29.561 29.460 -0.117 0.000 1.064 514 W HN -0.126 nan 8.180 nan 0.000 0.611 515 S N 1.588 117.385 115.700 0.162 0.000 2.612 515 S HA 0.094 4.564 4.470 -0.000 0.000 0.253 515 S C 0.531 175.080 174.600 -0.085 0.000 1.346 515 S CA -0.290 57.939 58.200 0.047 0.000 0.976 515 S CB 0.799 64.006 63.200 0.011 0.000 0.949 515 S HN 0.042 nan 8.310 nan 0.000 0.584 516 S N 0.605 116.256 115.700 -0.081 0.000 2.606 516 S HA 0.081 4.551 4.470 -0.000 0.000 0.257 516 S C 1.387 175.941 174.600 -0.077 0.000 1.327 516 S CA -0.514 57.624 58.200 -0.104 0.000 0.984 516 S CB 0.235 63.389 63.200 -0.077 0.000 0.941 516 S HN 0.699 nan 8.310 nan 0.000 0.576 517 K N 0.539 120.893 120.400 -0.077 0.000 2.366 517 K HA -0.088 4.232 4.320 -0.000 0.000 0.198 517 K C 0.680 177.264 176.600 -0.027 0.000 1.044 517 K CA 1.282 57.543 56.287 -0.044 0.000 0.973 517 K CB -0.045 32.426 32.500 -0.049 0.000 0.767 517 K HN 0.665 nan 8.250 nan 0.000 0.475 518 D N -0.331 120.053 120.400 -0.027 0.000 2.379 518 D HA -0.032 4.608 4.640 -0.000 0.000 0.208 518 D C 0.131 176.435 176.300 0.007 0.000 1.065 518 D CA -0.120 53.873 54.000 -0.011 0.000 0.848 518 D CB 0.025 40.818 40.800 -0.012 0.000 0.949 518 D HN -0.128 nan 8.370 nan 0.000 0.509 519 V N 2.146 122.062 119.914 0.005 0.000 2.390 519 V HA 0.187 4.307 4.120 -0.000 0.000 0.260 519 V C 0.695 176.841 176.094 0.087 0.000 1.043 519 V CA 0.000 62.326 62.300 0.043 0.000 1.047 519 V CB -0.687 31.152 31.823 0.026 0.000 1.066 519 V HN 0.370 nan 8.190 nan 0.000 0.481 520 R N 1.648 122.239 120.500 0.151 0.000 2.485 520 R HA 0.294 4.634 4.340 -0.000 0.000 0.235 520 R C -0.947 175.521 176.300 0.280 0.000 1.306 520 R CA -0.592 55.660 56.100 0.253 0.000 1.397 520 R CB -0.038 30.311 30.300 0.082 0.000 1.416 520 R HN 0.473 nan 8.270 nan 0.000 0.781 521 D N 1.475 122.036 120.400 0.267 0.000 2.277 521 D HA 0.161 4.801 4.640 -0.000 0.000 0.249 521 D C 1.080 177.520 176.300 0.235 0.000 1.134 521 D CA -0.498 53.622 54.000 0.200 0.000 0.863 521 D CB 1.111 41.999 40.800 0.147 0.000 1.143 521 D HN 0.196 nan 8.370 nan 0.000 0.458 522 M N 2.306 122.017 119.600 0.185 0.000 2.748 522 M HA -0.050 4.430 4.480 -0.000 0.000 0.241 522 M C -0.042 176.360 176.300 0.170 0.000 1.080 522 M CA 0.844 56.245 55.300 0.168 0.000 1.068 522 M CB -0.130 32.521 32.600 0.085 0.000 1.536 522 M HN 0.405 nan 8.290 nan 0.000 0.540 523 D N -1.243 119.265 120.400 0.180 0.000 2.526 523 D HA -0.025 4.615 4.640 -0.000 0.000 0.293 523 D C 1.364 177.800 176.300 0.227 0.000 1.081 523 D CA 0.364 54.474 54.000 0.182 0.000 0.924 523 D CB 0.011 40.876 40.800 0.109 0.000 1.498 523 D HN 0.177 nan 8.370 nan 0.000 0.497 524 D N 1.162 121.674 120.400 0.187 0.000 2.149 524 D HA 0.014 4.654 4.640 -0.000 0.000 0.201 524 D C 1.921 178.346 176.300 0.209 0.000 0.972 524 D CA 1.160 55.261 54.000 0.168 0.000 0.835 524 D CB 0.203 41.080 40.800 0.128 0.000 0.966 524 D HN 0.081 nan 8.370 nan 0.000 0.476 525 A N -0.689 122.279 122.820 0.247 0.000 1.898 525 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 525 A C 2.197 179.960 177.584 0.299 0.000 1.181 525 A CA 1.302 53.511 52.037 0.285 0.000 0.620 525 A CB -1.146 17.878 19.000 0.040 0.000 0.819 525 A HN 0.470 nan 8.150 nan 0.000 0.442 526 Y N 0.790 121.210 120.300 0.199 0.000 2.163 526 Y HA -0.211 4.339 4.550 -0.000 0.000 0.288 526 Y C 2.099 177.982 175.900 -0.029 0.000 1.136 526 Y CA 2.134 60.291 58.100 0.094 0.000 1.147 526 Y CB -0.297 38.322 38.460 0.264 0.000 0.987 526 Y HN 0.386 nan 8.280 nan 0.000 0.509 527 D N -0.052 120.416 120.400 0.112 0.000 2.117 527 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 527 D C 1.911 178.155 176.300 -0.094 0.000 0.987 527 D CA 1.464 55.459 54.000 -0.008 0.000 0.829 527 D CB -0.151 40.718 40.800 0.115 0.000 0.961 527 D HN 0.364 nan 8.370 nan 0.000 0.460 528 R N -0.624 119.888 120.500 0.019 0.000 2.316 528 R HA 0.004 4.344 4.340 -0.000 0.000 0.202 528 R C 1.587 177.836 176.300 -0.086 0.000 1.029 528 R CA 0.110 56.258 56.100 0.079 0.000 1.018 528 R CB 0.099 30.566 30.300 0.278 0.000 0.888 528 R HN 0.227 nan 8.270 nan 0.000 0.471 529 L N 0.011 120.988 121.223 -0.410 0.000 2.286 529 L HA -0.012 4.328 4.340 -0.000 0.000 0.203 529 L C 2.283 178.771 176.870 -0.636 0.000 1.068 529 L CA 1.660 55.976 54.840 -0.873 0.000 0.811 529 L CB -0.446 40.868 42.059 -1.242 0.000 0.989 529 L HN 0.096 nan 8.230 nan 0.000 0.467 530 T N -2.765 111.410 114.554 -0.632 0.000 2.833 530 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 530 T C 1.943 176.446 174.700 -0.328 0.000 1.054 530 T CA 1.379 63.178 62.100 -0.502 0.000 1.135 530 T CB -0.419 68.115 68.868 -0.555 0.000 0.869 530 T HN 0.316 nan 8.240 nan 0.000 0.466 531 R N -0.463 119.876 120.500 -0.268 0.000 2.297 531 R HA 0.190 4.530 4.340 -0.000 0.000 0.197 531 R C 2.353 178.568 176.300 -0.142 0.000 0.943 531 R CA 0.400 56.392 56.100 -0.180 0.000 1.038 531 R CB -0.204 30.021 30.300 -0.124 0.000 0.957 531 R HN 0.588 nan 8.270 nan 0.000 0.484 532 H N 0.355 119.250 119.070 -0.291 0.000 2.562 532 H HA 0.113 4.669 4.556 -0.000 0.000 0.267 532 H C 1.829 176.988 175.328 -0.281 0.000 0.959 532 H CA 0.455 56.334 56.048 -0.283 0.000 1.204 532 H CB 0.509 30.024 29.762 -0.410 0.000 1.430 532 H HN -0.004 nan 8.280 nan 0.000 0.545 533 R N 0.541 120.860 120.500 -0.303 0.000 2.100 533 R HA -0.036 4.304 4.340 -0.000 0.000 0.220 533 R C 2.071 178.235 176.300 -0.226 0.000 1.091 533 R CA 1.025 56.961 56.100 -0.275 0.000 0.986 533 R CB -0.846 29.302 30.300 -0.253 0.000 0.888 533 R HN 0.315 nan 8.270 nan 0.000 0.444 534 c N 0.527 119.001 118.600 -0.209 0.000 2.425 534 c HA 0.036 4.606 4.570 -0.000 0.000 0.277 534 c C 2.829 176.822 174.090 -0.161 0.000 1.280 534 c CA 0.714 56.944 56.329 -0.166 0.000 1.744 534 c CB -1.057 41.352 42.510 -0.169 0.000 1.989 534 c HN 0.515 nan 8.230 nan 0.000 0.491 535 R N 0.422 120.800 120.500 -0.204 0.000 2.120 535 R HA -0.057 4.283 4.340 -0.000 0.000 0.234 535 R C 2.152 178.326 176.300 -0.210 0.000 1.123 535 R CA 1.405 57.383 56.100 -0.204 0.000 0.975 535 R CB -0.200 29.954 30.300 -0.244 0.000 0.866 535 R HN 0.496 nan 8.270 nan 0.000 0.446 536 M N -0.434 119.013 119.600 -0.255 0.000 2.254 536 M HA -0.114 4.366 4.480 -0.000 0.000 0.265 536 M C 2.042 178.289 176.300 -0.088 0.000 1.066 536 M CA 1.021 56.222 55.300 -0.166 0.000 1.123 536 M CB 0.201 32.665 32.600 -0.227 0.000 1.388 536 M HN 0.033 nan 8.290 nan 0.000 0.425 537 V N 0.501 120.356 119.914 -0.097 0.000 2.427 537 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 537 V C 1.936 178.009 176.094 -0.036 0.000 1.051 537 V CA 1.750 64.015 62.300 -0.059 0.000 1.048 537 V CB -0.744 31.043 31.823 -0.061 0.000 0.666 537 V HN 0.485 nan 8.190 nan 0.000 0.456 538 E N 0.112 120.284 120.200 -0.047 0.000 2.153 538 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 538 E C 2.045 178.656 176.600 0.018 0.000 0.988 538 E CA 0.852 57.239 56.400 -0.023 0.000 0.811 538 E CB -0.119 29.557 29.700 -0.040 0.000 0.746 538 E HN 0.545 nan 8.360 nan 0.000 0.466 539 R N -0.546 119.978 120.500 0.040 0.000 2.356 539 R HA 0.112 4.452 4.340 -0.000 0.000 0.234 539 R C 0.865 177.253 176.300 0.146 0.000 0.929 539 R CA 0.462 56.656 56.100 0.157 0.000 1.084 539 R CB 0.698 31.139 30.300 0.234 0.000 1.105 539 R HN 0.240 nan 8.270 nan 0.000 0.515 540 G N 0.931 109.763 108.800 0.054 0.000 2.175 540 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.244 540 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.244 540 G C 0.101 174.988 174.900 -0.021 0.000 0.982 540 G CA -0.452 44.660 45.100 0.020 0.000 0.641 540 G HN 0.164 nan 8.290 nan 0.000 0.527 541 I N 1.871 122.414 120.570 -0.044 0.000 2.291 541 I HA 0.526 4.696 4.170 -0.000 0.000 0.292 541 I C 1.118 177.203 176.117 -0.053 0.000 1.064 541 I CA -0.580 60.660 61.300 -0.100 0.000 1.269 541 I CB 0.534 38.399 38.000 -0.225 0.000 1.418 541 I HN 0.337 nan 8.210 nan 0.000 0.485 542 A N 6.497 129.306 122.820 -0.019 0.000 2.981 542 A HA 0.532 4.852 4.320 -0.000 0.000 0.280 542 A C 0.825 178.424 177.584 0.026 0.000 1.743 542 A CA -0.337 51.699 52.037 -0.000 0.000 1.430 542 A CB -0.588 18.415 19.000 0.005 0.000 1.085 542 A HN 0.774 nan 8.150 nan 0.000 0.597 543 A N 2.367 125.195 122.820 0.014 0.000 2.331 543 A HA 0.533 4.853 4.320 -0.000 0.000 0.283 543 A C 0.557 178.145 177.584 0.008 0.000 1.142 543 A CA -0.586 51.475 52.037 0.041 0.000 0.812 543 A CB 0.234 19.250 19.000 0.027 0.000 1.074 543 A HN 0.905 nan 8.150 nan 0.000 0.497 544 Q N 2.579 122.391 119.800 0.021 0.000 2.443 544 Q HA 0.463 4.803 4.340 -0.000 0.000 0.232 544 Q C -2.448 173.544 176.000 -0.013 0.000 1.026 544 Q CA -1.553 54.257 55.803 0.011 0.000 0.924 544 Q CB 0.253 29.010 28.738 0.031 0.000 1.256 544 Q HN 0.464 nan 8.270 nan 0.000 0.519 545 P HA 0.038 nan 4.420 nan 0.000 0.277 545 P C 0.246 177.553 177.300 0.010 0.000 1.240 545 P CA -0.489 62.598 63.100 -0.022 0.000 0.798 545 P CB 0.922 32.618 31.700 -0.007 0.000 0.979 546 L N 0.740 121.956 121.223 -0.012 0.000 2.068 546 L HA 0.063 4.403 4.340 -0.000 0.000 0.204 546 L C 1.171 178.233 176.870 0.320 0.000 1.076 546 L CA 2.034 56.924 54.840 0.085 0.000 0.753 546 L CB -1.444 40.554 42.059 -0.101 0.000 0.910 546 L HN 0.496 nan 8.230 nan 0.000 0.439 547 Y N -1.779 118.600 120.300 0.133 0.000 2.840 547 Y HA 0.591 5.141 4.550 -0.000 0.000 0.324 547 Y C -0.365 175.602 175.900 0.111 0.000 1.378 547 Y CA -1.429 56.761 58.100 0.151 0.000 1.077 547 Y CB 0.872 39.476 38.460 0.241 0.000 1.361 547 Y HN -0.054 nan 8.280 nan 0.000 0.459 548 A N 1.372 123.831 122.820 -0.602 0.000 2.587 548 A HA 0.462 4.782 4.320 -0.000 0.000 0.235 548 A C 0.495 178.088 177.584 0.014 0.000 1.044 548 A CA 1.501 53.348 52.037 -0.317 0.000 0.754 548 A CB -1.194 17.532 19.000 -0.456 0.000 0.968 548 A HN 1.773 nan 8.150 nan 0.000 0.509 549 G N 0.245 109.077 108.800 0.053 0.000 2.323 549 G HA2 0.580 4.540 3.960 -0.000 0.000 0.291 549 G HA3 0.580 4.540 3.960 -0.000 0.000 0.291 549 G C -0.998 174.030 174.900 0.214 0.000 1.278 549 G CA 0.113 45.306 45.100 0.155 0.000 0.860 549 G HN 2.155 nan 8.290 nan 0.000 0.504 550 Y N -2.404 117.887 120.300 -0.015 0.000 2.744 550 Y HA 0.845 5.395 4.550 -0.000 0.000 0.330 550 Y C -0.227 175.655 175.900 -0.031 0.000 1.263 550 Y CA -1.408 56.677 58.100 -0.024 0.000 1.065 550 Y CB 0.585 39.035 38.460 -0.018 0.000 1.306 550 Y HN 0.936 nan 8.280 nan 0.000 0.459 551 c N 0.489 119.016 118.600 -0.122 0.000 3.256 551 c HA 0.718 5.288 4.570 -0.000 0.000 0.361 551 c C -0.817 173.220 174.090 -0.088 0.000 1.665 551 c CA -0.542 55.650 56.329 -0.227 0.000 1.445 551 c CB 0.980 43.421 42.510 -0.116 0.000 2.144 551 c HN 1.082 nan 8.230 nan 0.000 0.448 552 N N 0.000 118.651 118.700 -0.082 0.000 1.763 552 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 552 N CA 0.000 53.039 53.050 -0.018 0.000 0.885 552 N CB 0.000 38.510 38.487 0.038 0.000 1.341 552 N HN 0.000 nan 8.380 nan 0.000 0.667