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 2eep_1_A DATA FIRST_RESID 50 DATA SEQUENCE YPEYVVGLQW MGDNYVFIEG DDLVFNKXXX XXXXTTRFSA ADLNALMPXX DATA SEQUENCE XXXXXXXXFP SFRTLDAGRG LVVLFTQGGL VGFDMLARKV TYLFDTNEET DATA SEQUENCE ASLDFSPVGD RVAYVRNHNL YIARGGKLGE GMSRAIAVTI DGTETLVYGQ DATA SEQUENCE AVHQREFGIE KGTFWSPKGS CLAFYRMDQS MVKPTPIVDY HPLEAESKPL DATA SEQUENCE YYPMAGTPSH HVTVGIYHLA TGKTVYLQTG EPKEKFLTNL SWSPDENILY DATA SEQUENCE VAEVNRAQNE CKVNAYDAET GRFVRTLFVE TDKHYVEPLH PLTFLPGSNN DATA SEQUENCE QFIWQSRRDG WNHLYLYDTT GRLIRQVTKG EWEVTNFAGF DPKGTRLYFE DATA SEQUENCE STEASPLERH FYCIDIKGGK TKDLTPESGM HRTQLSPDGS AIIDIFQSPT DATA SEQUENCE VPRKVTVTNI GKGSHTLLEA KNXXXXXAMP EIRTGTIMAA DGQTPLYYKL DATA SEQUENCE TMPLHFDPAK KYPVIVYVYG GPHAQLVTKT WRXXVGGWDI YMAQKGYAVF DATA SEQUENCE TVDSRGSANR GAAFEQVIHR RLGQTEMADQ MCGVDFLKSQ SWVDADRIGV DATA SEQUENCE HGWSYGGFMT TNLMLTHGDV FKVGVAGGPV IDWNRYEIMY GERYFDAPQE DATA SEQUENCE NPEGYDAANL LKRAGDLKGR LMLIHGAIDP VVVWQHSLLF LDACVKARTY DATA SEQUENCE PDYYVYPSHE HNVMGPDRVH LYETITRYFT DHL 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 50 Y HA 0.000 nan 4.550 nan 0.000 0.201 50 Y C 0.000 175.853 175.900 -0.078 0.000 1.272 50 Y CA 0.000 58.054 58.100 -0.077 0.000 1.940 50 Y CB 0.000 38.420 38.460 -0.066 0.000 1.050 51 P HA 0.288 nan 4.420 nan 0.000 0.269 51 P C -0.796 176.274 177.300 -0.384 0.000 1.215 51 P CA -0.187 62.745 63.100 -0.281 0.000 0.780 51 P CB 1.424 32.904 31.700 -0.368 0.000 0.898 52 E N 0.809 120.835 120.200 -0.289 0.000 2.070 52 E HA 0.052 4.403 4.350 0.002 0.000 0.282 52 E C 0.034 176.485 176.600 -0.248 0.000 1.104 52 E CA -0.235 56.039 56.400 -0.210 0.000 0.876 52 E CB 0.138 29.765 29.700 -0.121 0.000 1.055 52 E HN 0.394 nan 8.360 nan 0.000 0.401 53 Y N 2.412 122.657 120.300 -0.092 0.000 2.286 53 Y HA -0.019 4.532 4.550 0.002 0.000 0.293 53 Y C 0.703 176.537 175.900 -0.111 0.000 1.124 53 Y CA 0.167 58.205 58.100 -0.103 0.000 1.178 53 Y CB 0.714 39.096 38.460 -0.130 0.000 1.010 53 Y HN 0.243 nan 8.280 nan 0.000 0.536 54 V N 1.701 121.623 119.914 0.012 0.000 2.275 54 V HA 0.186 4.307 4.120 0.002 0.000 0.272 54 V C -0.271 175.809 176.094 -0.023 0.000 1.028 54 V CA -1.163 61.090 62.300 -0.079 0.000 0.810 54 V CB 0.754 32.431 31.823 -0.243 0.000 1.043 54 V HN -0.156 nan 8.190 nan 0.000 0.453 55 V N 4.296 124.228 119.914 0.030 0.000 2.529 55 V HA 0.370 4.491 4.120 0.002 0.000 0.292 55 V C 1.519 177.637 176.094 0.040 0.000 1.028 55 V CA 1.225 63.537 62.300 0.020 0.000 1.074 55 V CB 0.468 32.303 31.823 0.021 0.000 0.958 55 V HN 1.237 nan 8.190 nan 0.000 0.481 56 G N 4.039 112.829 108.800 -0.016 0.000 2.198 56 G HA2 -0.239 3.722 3.960 0.002 0.000 0.260 56 G HA3 -0.239 3.722 3.960 0.002 0.000 0.260 56 G C -0.143 174.767 174.900 0.016 0.000 1.025 56 G CA 0.231 45.311 45.100 -0.034 0.000 0.769 56 G HN 0.855 nan 8.290 nan 0.000 0.507 57 L N 0.823 122.053 121.223 0.012 0.000 2.477 57 L HA 0.569 4.910 4.340 0.002 0.000 0.272 57 L C 0.422 177.259 176.870 -0.056 0.000 1.157 57 L CA 0.871 55.711 54.840 -0.001 0.000 0.889 57 L CB 0.304 42.320 42.059 -0.072 0.000 1.158 57 L HN 0.736 nan 8.230 nan 0.000 0.473 58 Q N 3.369 123.118 119.800 -0.085 0.000 2.756 58 Q HA 0.279 4.620 4.340 0.002 0.000 0.295 58 Q C -1.805 174.105 176.000 -0.150 0.000 0.903 58 Q CA -1.006 54.745 55.803 -0.087 0.000 0.768 58 Q CB 0.256 29.031 28.738 0.061 0.000 1.472 58 Q HN 0.529 nan 8.270 nan 0.000 0.416 59 W N 1.110 122.467 121.300 0.097 0.000 2.376 59 W HA 0.666 5.327 4.660 0.002 0.000 0.322 59 W C -0.157 176.416 176.519 0.090 0.000 1.160 59 W CA -0.502 56.903 57.345 0.099 0.000 1.218 59 W CB 1.586 31.091 29.460 0.076 0.000 1.205 59 W HN 0.386 nan 8.180 nan 0.000 0.559 60 M N 3.926 123.760 119.600 0.389 0.000 2.122 60 M HA 0.308 4.789 4.480 0.002 0.000 0.269 60 M C 0.653 177.114 176.300 0.269 0.000 0.954 60 M CA -0.048 55.413 55.300 0.270 0.000 0.998 60 M CB 1.520 34.246 32.600 0.209 0.000 1.755 60 M HN 0.812 nan 8.290 nan 0.000 0.459 61 G N 3.125 112.041 108.800 0.194 0.000 2.602 61 G HA2 -0.326 3.635 3.960 0.002 0.000 0.310 61 G HA3 -0.326 3.635 3.960 0.002 0.000 0.310 61 G C 0.137 175.124 174.900 0.145 0.000 1.183 61 G CA 0.786 45.965 45.100 0.131 0.000 0.979 61 G HN 0.847 nan 8.290 nan 0.000 0.545 62 D N 1.397 121.888 120.400 0.151 0.000 2.402 62 D HA 0.146 4.787 4.640 0.002 0.000 0.216 62 D C 0.234 176.735 176.300 0.335 0.000 1.128 62 D CA -0.105 53.992 54.000 0.160 0.000 0.833 62 D CB -0.315 40.531 40.800 0.076 0.000 0.971 62 D HN 0.394 nan 8.370 nan 0.000 0.503 63 N N 1.083 120.004 118.700 0.367 0.000 2.443 63 N HA 0.189 4.930 4.740 0.002 0.000 0.295 63 N C -0.469 175.243 175.510 0.336 0.000 1.076 63 N CA -0.559 52.674 53.050 0.305 0.000 0.919 63 N CB 1.297 39.925 38.487 0.234 0.000 1.176 63 N HN 0.239 nan 8.380 nan 0.000 0.487 64 Y N -0.906 119.380 120.300 -0.024 0.000 2.320 64 Y HA 0.713 5.264 4.550 0.002 0.000 0.324 64 Y C -0.341 175.445 175.900 -0.188 0.000 1.190 64 Y CA -0.861 56.985 58.100 -0.423 0.000 1.215 64 Y CB 0.737 38.718 38.460 -0.798 0.000 1.221 64 Y HN 0.119 nan 8.280 nan 0.000 0.486 65 V N 4.842 124.719 119.914 -0.061 0.000 3.049 65 V HA 0.653 4.774 4.120 0.002 0.000 0.309 65 V C -0.908 175.202 176.094 0.026 0.000 1.148 65 V CA -1.047 61.101 62.300 -0.253 0.000 0.990 65 V CB 1.936 33.478 31.823 -0.468 0.000 1.039 65 V HN 0.884 nan 8.190 nan 0.000 0.430 66 F N 1.454 121.273 119.950 -0.219 0.000 2.741 66 F HA 0.777 5.305 4.527 0.002 0.000 0.313 66 F C -1.253 174.441 175.800 -0.176 0.000 1.153 66 F CA -1.240 56.675 58.000 -0.142 0.000 0.931 66 F CB 1.225 40.179 39.000 -0.076 0.000 1.335 66 F HN 0.272 nan 8.300 nan 0.000 0.460 67 I N 1.068 121.655 120.570 0.028 0.000 2.488 67 I HA 0.387 4.558 4.170 0.002 0.000 0.299 67 I C -0.603 175.554 176.117 0.068 0.000 0.984 67 I CA -0.460 60.795 61.300 -0.074 0.000 1.250 67 I CB 1.843 39.842 38.000 -0.002 0.000 1.389 67 I HN 0.751 nan 8.210 nan 0.000 0.488 68 E N 3.560 123.757 120.200 -0.005 0.000 3.132 68 E HA 0.313 4.665 4.350 0.002 0.000 0.241 68 E C 0.520 177.149 176.600 0.049 0.000 1.196 68 E CA 0.166 56.604 56.400 0.063 0.000 0.869 68 E CB 0.672 30.417 29.700 0.074 0.000 1.387 68 E HN 0.904 nan 8.360 nan 0.000 0.393 69 G N 3.550 112.390 108.800 0.065 0.000 5.260 69 G HA2 -0.444 3.517 3.960 0.002 0.000 0.276 69 G HA3 -0.444 3.517 3.960 0.002 0.000 0.276 69 G C 0.856 175.822 174.900 0.110 0.000 1.357 69 G CA 1.003 46.145 45.100 0.070 0.000 1.008 69 G HN 0.637 nan 8.290 nan 0.000 0.777 70 D N 0.657 121.119 120.400 0.102 0.000 2.479 70 D HA 0.221 4.862 4.640 0.002 0.000 0.216 70 D C -0.165 176.264 176.300 0.215 0.000 1.110 70 D CA 0.500 54.585 54.000 0.141 0.000 0.841 70 D CB 0.259 41.095 40.800 0.060 0.000 1.040 70 D HN 0.358 nan 8.370 nan 0.000 0.505 71 D N 0.806 121.254 120.400 0.081 0.000 2.217 71 D HA 0.433 5.074 4.640 0.002 0.000 0.248 71 D C -0.787 175.293 176.300 -0.366 0.000 1.008 71 D CA -0.508 53.465 54.000 -0.044 0.000 0.914 71 D CB 2.285 43.047 40.800 -0.063 0.000 1.182 71 D HN 0.010 nan 8.370 nan 0.000 0.451 72 L N 1.916 122.789 121.223 -0.584 0.000 2.298 72 L HA 0.383 4.724 4.340 0.002 0.000 0.284 72 L C -1.328 175.261 176.870 -0.468 0.000 1.013 72 L CA -0.631 53.749 54.840 -0.767 0.000 0.824 72 L CB 1.418 42.817 42.059 -1.099 0.000 1.221 72 L HN 0.123 nan 8.230 nan 0.000 0.418 73 V N 5.882 125.379 119.914 -0.696 0.000 2.383 73 V HA 0.385 4.506 4.120 0.002 0.000 0.275 73 V C -0.252 175.436 176.094 -0.678 0.000 1.036 73 V CA -0.264 61.655 62.300 -0.636 0.000 0.889 73 V CB 0.637 31.877 31.823 -0.973 0.000 0.985 73 V HN 0.465 nan 8.190 nan 0.000 0.459 74 F N 3.625 123.361 119.950 -0.356 0.000 2.421 74 F HA 0.605 5.133 4.527 0.002 0.000 0.337 74 F C 0.610 176.209 175.800 -0.335 0.000 1.105 74 F CA -0.422 57.394 58.000 -0.306 0.000 1.049 74 F CB 1.356 40.236 39.000 -0.199 0.000 1.139 74 F HN 0.428 nan 8.300 nan 0.000 0.479 75 N N 0.996 119.508 118.700 -0.315 0.000 2.396 75 N HA 0.662 5.403 4.740 0.002 0.000 0.275 75 N C -0.787 174.492 175.510 -0.384 0.000 1.218 75 N CA -0.675 52.095 53.050 -0.466 0.000 0.812 75 N CB 2.205 40.151 38.487 -0.903 0.000 1.592 75 N HN 0.606 nan 8.380 nan 0.000 0.480 85 T N 4.022 118.574 114.554 -0.004 0.000 2.900 85 T HA 0.735 5.086 4.350 0.002 0.000 0.303 85 T C -0.850 173.895 174.700 0.076 0.000 1.142 85 T CA -1.092 61.009 62.100 0.002 0.000 1.007 85 T CB 1.756 70.576 68.868 -0.080 0.000 1.156 85 T HN 0.684 nan 8.240 nan 0.000 0.490 86 R N 0.434 120.981 120.500 0.079 0.000 2.778 86 R HA 0.733 5.074 4.340 0.002 0.000 0.277 86 R C -1.708 174.740 176.300 0.245 0.000 0.977 86 R CA -0.896 55.280 56.100 0.126 0.000 0.950 86 R CB 1.912 32.240 30.300 0.046 0.000 1.165 86 R HN 0.555 nan 8.270 nan 0.000 0.474 87 F N 0.804 120.805 119.950 0.085 0.000 2.579 87 F HA 0.312 4.840 4.527 0.002 0.000 0.325 87 F C -0.361 175.548 175.800 0.183 0.000 1.162 87 F CA -0.620 57.460 58.000 0.133 0.000 0.946 87 F CB 1.863 41.008 39.000 0.241 0.000 1.211 87 F HN 0.422 nan 8.300 nan 0.000 0.447 88 S N 3.623 119.232 115.700 -0.152 0.000 2.632 88 S HA 0.646 5.117 4.470 0.002 0.000 0.271 88 S C 1.176 175.645 174.600 -0.219 0.000 1.260 88 S CA 0.073 58.221 58.200 -0.085 0.000 1.010 88 S CB 1.458 64.614 63.200 -0.073 0.000 0.965 88 S HN 0.936 nan 8.310 nan 0.000 0.534 89 A N 2.963 125.734 122.820 -0.083 0.000 2.070 89 A HA 0.160 4.481 4.320 0.002 0.000 0.220 89 A C 2.161 179.558 177.584 -0.312 0.000 1.159 89 A CA 1.731 53.556 52.037 -0.352 0.000 0.656 89 A CB -1.144 17.691 19.000 -0.275 0.000 0.800 89 A HN 1.084 nan 8.150 nan 0.000 0.453 90 A N 0.205 122.899 122.820 -0.211 0.000 1.898 90 A HA -0.055 4.266 4.320 0.002 0.000 0.214 90 A C 1.714 179.188 177.584 -0.183 0.000 1.183 90 A CA 1.510 53.449 52.037 -0.162 0.000 0.622 90 A CB -0.439 18.503 19.000 -0.096 0.000 0.824 90 A HN 0.419 nan 8.150 nan 0.000 0.444 91 D N 0.020 120.276 120.400 -0.239 0.000 2.106 91 D HA -0.180 4.461 4.640 0.002 0.000 0.191 91 D C 1.834 177.986 176.300 -0.247 0.000 0.997 91 D CA 1.522 55.395 54.000 -0.212 0.000 0.834 91 D CB -0.599 40.037 40.800 -0.273 0.000 0.956 91 D HN 0.344 nan 8.370 nan 0.000 0.448 92 L N 1.067 121.936 121.223 -0.589 0.000 1.994 92 L HA -0.152 4.189 4.340 0.002 0.000 0.208 92 L C 1.752 178.470 176.870 -0.253 0.000 1.071 92 L CA 1.855 56.426 54.840 -0.447 0.000 0.745 92 L CB -0.911 40.731 42.059 -0.695 0.000 0.892 92 L HN -0.028 nan 8.230 nan 0.000 0.431 93 N N -0.972 117.573 118.700 -0.258 0.000 2.137 93 N HA -0.235 4.506 4.740 0.002 0.000 0.190 93 N C 1.804 177.260 175.510 -0.090 0.000 1.017 93 N CA 1.253 54.203 53.050 -0.167 0.000 0.859 93 N CB -0.212 38.183 38.487 -0.154 0.000 1.002 93 N HN 0.558 nan 8.380 nan 0.000 0.428 94 A N 0.190 122.968 122.820 -0.069 0.000 2.024 94 A HA -0.097 4.224 4.320 0.002 0.000 0.220 94 A C 1.956 179.549 177.584 0.015 0.000 1.164 94 A CA 1.033 53.057 52.037 -0.022 0.000 0.643 94 A CB -0.433 18.562 19.000 -0.009 0.000 0.806 94 A HN 0.319 nan 8.150 nan 0.000 0.451 95 L N -0.513 120.736 121.223 0.043 0.000 2.446 95 L HA 0.068 4.409 4.340 0.002 0.000 0.219 95 L C 0.865 177.791 176.870 0.094 0.000 1.116 95 L CA -0.375 54.532 54.840 0.113 0.000 0.844 95 L CB -0.266 41.953 42.059 0.267 0.000 0.970 95 L HN 0.345 nan 8.230 nan 0.000 0.457 96 M N 0.609 120.226 119.600 0.029 0.000 2.167 96 M HA 0.203 4.684 4.480 0.002 0.000 0.300 96 M C -1.860 174.447 176.300 0.012 0.000 1.171 96 M CA -1.025 54.283 55.300 0.015 0.000 1.171 96 M CB -0.873 31.707 32.600 -0.034 0.000 1.396 96 M HN -0.138 nan 8.290 nan 0.000 0.466 109 P HA 0.244 nan 4.420 nan 0.000 0.275 109 P C -0.753 176.631 177.300 0.140 0.000 1.270 109 P CA -0.321 62.732 63.100 -0.078 0.000 0.791 109 P CB 0.992 32.574 31.700 -0.197 0.000 1.089 110 S N -0.611 115.155 115.700 0.110 0.000 2.525 110 S HA 0.641 5.112 4.470 0.002 0.000 0.278 110 S C -0.615 174.147 174.600 0.270 0.000 1.234 110 S CA -0.591 57.664 58.200 0.093 0.000 1.058 110 S CB -0.628 62.583 63.200 0.018 0.000 0.983 110 S HN 0.374 nan 8.310 nan 0.000 0.495 111 F N 1.814 121.889 119.950 0.208 0.000 2.643 111 F HA 0.690 5.219 4.527 0.002 0.000 0.314 111 F C -0.699 175.252 175.800 0.251 0.000 1.096 111 F CA -1.396 56.756 58.000 0.253 0.000 0.953 111 F CB 1.247 40.367 39.000 0.199 0.000 1.345 111 F HN 0.457 nan 8.300 nan 0.000 0.468 112 R N 1.118 121.938 120.500 0.534 0.000 2.387 112 R HA 0.513 4.854 4.340 0.002 0.000 0.314 112 R C -1.249 175.258 176.300 0.345 0.000 0.958 112 R CA -0.455 55.871 56.100 0.378 0.000 0.846 112 R CB 1.590 32.151 30.300 0.436 0.000 1.147 112 R HN 0.918 nan 8.270 nan 0.000 0.447 113 T N 6.088 120.836 114.554 0.323 0.000 2.779 113 T HA 0.161 4.512 4.350 0.002 0.000 0.296 113 T C 1.347 176.127 174.700 0.133 0.000 0.938 113 T CA -0.270 61.984 62.100 0.256 0.000 1.119 113 T CB 0.771 69.805 68.868 0.277 0.000 0.891 113 T HN 0.530 nan 8.240 nan 0.000 0.526 114 L N 1.631 122.886 121.223 0.054 0.000 2.253 114 L HA 0.271 4.612 4.340 0.002 0.000 0.205 114 L C 0.848 177.749 176.870 0.051 0.000 1.078 114 L CA 0.643 55.481 54.840 -0.002 0.000 0.805 114 L CB 0.272 42.239 42.059 -0.152 0.000 0.963 114 L HN 0.557 nan 8.230 nan 0.000 0.459 115 D N -0.497 119.941 120.400 0.063 0.000 2.319 115 D HA 0.269 4.910 4.640 0.002 0.000 0.237 115 D C 0.492 176.847 176.300 0.092 0.000 1.353 115 D CA 0.066 54.109 54.000 0.072 0.000 0.992 115 D CB 1.773 42.601 40.800 0.047 0.000 1.368 115 D HN 0.013 nan 8.370 nan 0.000 0.564 116 A N 2.362 125.254 122.820 0.120 0.000 1.933 116 A HA -0.002 4.319 4.320 0.002 0.000 0.218 116 A C 2.012 179.675 177.584 0.131 0.000 1.175 116 A CA 2.012 54.139 52.037 0.151 0.000 0.628 116 A CB -0.530 18.581 19.000 0.185 0.000 0.814 116 A HN 0.558 nan 8.150 nan 0.000 0.444 117 G N -0.563 108.293 108.800 0.093 0.000 2.440 117 G HA2 -0.209 3.752 3.960 0.002 0.000 0.218 117 G HA3 -0.209 3.752 3.960 0.002 0.000 0.218 117 G C 1.601 176.536 174.900 0.058 0.000 1.154 117 G CA 0.770 45.909 45.100 0.064 0.000 0.767 117 G HN 0.555 nan 8.290 nan 0.000 0.552 118 R N 0.143 120.674 120.500 0.052 0.000 2.362 118 R HA 0.213 4.554 4.340 0.002 0.000 0.227 118 R C 1.519 177.838 176.300 0.032 0.000 0.905 118 R CA 0.393 56.510 56.100 0.030 0.000 1.067 118 R CB 0.276 30.586 30.300 0.016 0.000 1.078 118 R HN 0.336 nan 8.270 nan 0.000 0.516 119 G N 2.335 111.176 108.800 0.069 0.000 2.321 119 G HA2 -0.278 3.683 3.960 0.002 0.000 0.287 119 G HA3 -0.278 3.683 3.960 0.002 0.000 0.287 119 G C 0.021 174.948 174.900 0.045 0.000 1.018 119 G CA 0.268 45.418 45.100 0.083 0.000 0.855 119 G HN 0.209 nan 8.290 nan 0.000 0.507 120 L N -0.381 120.862 121.223 0.034 0.000 2.292 120 L HA 0.727 5.068 4.340 0.002 0.000 0.284 120 L C 0.810 177.695 176.870 0.025 0.000 1.065 120 L CA -1.006 53.843 54.840 0.014 0.000 0.806 120 L CB 1.442 43.504 42.059 0.006 0.000 1.175 120 L HN 0.264 nan 8.230 nan 0.000 0.431 121 V N 1.601 121.532 119.914 0.027 0.000 3.158 121 V HA 0.758 4.879 4.120 0.002 0.000 0.311 121 V C -0.994 175.099 176.094 -0.002 0.000 1.181 121 V CA -0.802 61.522 62.300 0.040 0.000 1.054 121 V CB 2.367 34.201 31.823 0.019 0.000 1.085 121 V HN 0.436 nan 8.190 nan 0.000 0.446 122 V N 2.014 121.909 119.914 -0.032 0.000 2.656 122 V HA 0.664 4.785 4.120 0.002 0.000 0.307 122 V C -0.850 175.208 176.094 -0.059 0.000 1.051 122 V CA -0.620 61.599 62.300 -0.135 0.000 0.893 122 V CB 1.743 33.282 31.823 -0.474 0.000 0.999 122 V HN 0.885 nan 8.190 nan 0.000 0.426 123 L N 6.344 127.531 121.223 -0.060 0.000 2.296 123 L HA 0.560 4.901 4.340 0.002 0.000 0.286 123 L C -1.006 175.795 176.870 -0.116 0.000 1.023 123 L CA -0.248 54.608 54.840 0.026 0.000 0.812 123 L CB 1.481 43.569 42.059 0.047 0.000 1.223 123 L HN 0.501 nan 8.230 nan 0.000 0.421 124 F N 1.550 121.561 119.950 0.101 0.000 2.421 124 F HA 0.444 4.972 4.527 0.002 0.000 0.358 124 F C 0.904 176.732 175.800 0.046 0.000 1.115 124 F CA -0.370 57.677 58.000 0.078 0.000 1.160 124 F CB 1.218 40.257 39.000 0.064 0.000 1.123 124 F HN 0.446 nan 8.300 nan 0.000 0.508 125 T N -0.830 113.811 114.554 0.145 0.000 2.888 125 T HA 0.266 4.617 4.350 0.002 0.000 0.288 125 T C 0.912 175.654 174.700 0.070 0.000 1.063 125 T CA -0.695 61.456 62.100 0.085 0.000 1.010 125 T CB 1.520 70.412 68.868 0.039 0.000 1.214 125 T HN 0.650 nan 8.240 nan 0.000 0.533 126 Q N 0.475 120.299 119.800 0.041 0.000 2.268 126 Q HA -0.056 4.285 4.340 0.002 0.000 0.213 126 Q C 0.999 177.015 176.000 0.026 0.000 0.995 126 Q CA 1.901 57.720 55.803 0.027 0.000 0.901 126 Q CB -0.702 28.042 28.738 0.011 0.000 0.921 126 Q HN 0.886 nan 8.270 nan 0.000 0.421 127 G N -0.212 108.604 108.800 0.028 0.000 3.881 127 G HA2 0.523 4.484 3.960 0.002 0.000 0.319 127 G HA3 0.523 4.484 3.960 0.002 0.000 0.319 127 G C -0.054 174.864 174.900 0.031 0.000 1.472 127 G CA -0.023 45.091 45.100 0.023 0.000 0.851 127 G HN 0.618 nan 8.290 nan 0.000 0.495 128 G N 0.260 109.083 108.800 0.039 0.000 2.681 128 G HA2 -0.087 3.874 3.960 0.002 0.000 0.220 128 G HA3 -0.087 3.874 3.960 0.002 0.000 0.220 128 G C -0.348 174.589 174.900 0.062 0.000 1.353 128 G CA -0.430 44.700 45.100 0.050 0.000 0.872 128 G HN 0.968 nan 8.290 nan 0.000 0.557 129 L N -0.754 120.527 121.223 0.096 0.000 2.322 129 L HA 0.683 5.025 4.340 0.002 0.000 0.279 129 L C 0.229 177.204 176.870 0.175 0.000 1.036 129 L CA -1.181 53.706 54.840 0.079 0.000 0.807 129 L CB 1.963 44.082 42.059 0.099 0.000 1.226 129 L HN 0.471 nan 8.230 nan 0.000 0.433 130 V N 1.491 121.471 119.914 0.110 0.000 2.349 130 V HA 0.433 4.554 4.120 0.002 0.000 0.284 130 V C 0.621 176.825 176.094 0.184 0.000 1.014 130 V CA -0.676 61.709 62.300 0.142 0.000 0.826 130 V CB 1.251 33.131 31.823 0.095 0.000 1.009 130 V HN 0.878 nan 8.190 nan 0.000 0.431 131 G N 3.297 112.262 108.800 0.276 0.000 2.406 131 G HA2 0.445 4.406 3.960 0.002 0.000 0.251 131 G HA3 0.445 4.406 3.960 0.002 0.000 0.251 131 G C -1.174 173.848 174.900 0.203 0.000 1.271 131 G CA 0.149 45.402 45.100 0.256 0.000 0.859 131 G HN 0.505 nan 8.290 nan 0.000 0.540 132 F N 1.372 121.320 119.950 -0.003 0.000 2.581 132 F HA 0.359 4.887 4.527 0.002 0.000 0.311 132 F C -0.951 174.818 175.800 -0.050 0.000 1.113 132 F CA -1.223 56.760 58.000 -0.030 0.000 0.935 132 F CB 2.548 41.541 39.000 -0.012 0.000 1.232 132 F HN 0.399 nan 8.300 nan 0.000 0.445 133 D N 5.952 125.948 120.400 -0.673 0.000 2.359 133 D HA 0.188 4.829 4.640 0.002 0.000 0.230 133 D C 0.673 176.759 176.300 -0.357 0.000 1.118 133 D CA -0.191 53.563 54.000 -0.408 0.000 0.844 133 D CB 1.141 41.701 40.800 -0.400 0.000 1.059 133 D HN 0.494 nan 8.370 nan 0.000 0.493 134 M N 3.364 122.955 119.600 -0.015 0.000 2.447 134 M HA 0.006 4.487 4.480 0.002 0.000 0.264 134 M C 1.716 177.951 176.300 -0.107 0.000 1.095 134 M CA 0.570 55.933 55.300 0.105 0.000 1.125 134 M CB -0.163 32.575 32.600 0.229 0.000 1.389 134 M HN 0.499 nan 8.290 nan 0.000 0.459 135 L N -0.778 120.372 121.223 -0.121 0.000 2.095 135 L HA -0.025 4.316 4.340 0.002 0.000 0.204 135 L C 2.476 179.189 176.870 -0.263 0.000 1.080 135 L CA 0.959 55.681 54.840 -0.196 0.000 0.759 135 L CB -0.756 41.247 42.059 -0.093 0.000 0.914 135 L HN 0.199 nan 8.230 nan 0.000 0.439 136 A N -0.667 122.000 122.820 -0.255 0.000 2.132 136 A HA 0.028 4.349 4.320 0.002 0.000 0.213 136 A C 0.941 178.338 177.584 -0.312 0.000 1.154 136 A CA -0.143 51.737 52.037 -0.262 0.000 0.753 136 A CB -0.050 18.804 19.000 -0.244 0.000 0.826 136 A HN 0.377 nan 8.150 nan 0.000 0.469 137 R N -0.997 119.270 120.500 -0.388 0.000 3.152 137 R HA -0.138 4.203 4.340 0.002 0.000 0.252 137 R C -1.078 175.015 176.300 -0.345 0.000 0.930 137 R CA 1.013 56.923 56.100 -0.316 0.000 0.642 137 R CB -1.839 28.266 30.300 -0.325 0.000 1.205 137 R HN 0.567 nan 8.270 nan 0.000 0.452 138 K N -0.156 119.678 120.400 -0.943 0.000 2.542 138 K HA 0.350 4.671 4.320 0.002 0.000 0.259 138 K C -0.374 175.607 176.600 -1.032 0.000 0.932 138 K CA -0.833 55.032 56.287 -0.704 0.000 0.820 138 K CB 2.823 35.085 32.500 -0.396 0.000 1.345 138 K HN -0.056 nan 8.250 nan 0.000 0.432 139 V N 2.913 122.570 119.914 -0.428 0.000 2.655 139 V HA -0.046 4.075 4.120 0.002 0.000 0.300 139 V C 1.377 177.277 176.094 -0.323 0.000 1.044 139 V CA 0.724 62.905 62.300 -0.198 0.000 1.095 139 V CB 1.002 32.838 31.823 0.023 0.000 0.952 139 V HN 1.094 nan 8.190 nan 0.000 0.485 140 T N 2.667 117.044 114.554 -0.296 0.000 3.065 140 T HA 0.190 4.541 4.350 0.002 0.000 0.234 140 T C 0.079 174.328 174.700 -0.753 0.000 1.017 140 T CA 0.334 62.140 62.100 -0.491 0.000 1.292 140 T CB 0.070 68.801 68.868 -0.229 0.000 1.005 140 T HN 0.379 nan 8.240 nan 0.000 0.423 141 Y N 0.272 120.480 120.300 -0.153 0.000 2.553 141 Y HA 0.679 5.230 4.550 0.002 0.000 0.347 141 Y C -0.733 174.928 175.900 -0.398 0.000 1.019 141 Y CA -1.516 56.359 58.100 -0.376 0.000 1.032 141 Y CB 1.831 39.866 38.460 -0.708 0.000 1.284 141 Y HN 0.192 nan 8.280 nan 0.000 0.466 142 L N 2.634 123.714 121.223 -0.238 0.000 2.309 142 L HA 0.580 4.921 4.340 0.002 0.000 0.282 142 L C -1.285 175.415 176.870 -0.282 0.000 1.036 142 L CA -0.464 54.290 54.840 -0.145 0.000 0.806 142 L CB 0.813 42.842 42.059 -0.050 0.000 1.220 142 L HN 0.434 nan 8.230 nan 0.000 0.429 143 F N 0.408 120.410 119.950 0.087 0.000 2.532 143 F HA 0.365 4.893 4.527 0.002 0.000 0.321 143 F C -0.070 175.729 175.800 -0.002 0.000 1.089 143 F CA -0.766 57.268 58.000 0.057 0.000 0.926 143 F CB 1.786 40.834 39.000 0.081 0.000 1.168 143 F HN 0.337 nan 8.300 nan 0.000 0.459 144 D N 1.001 121.496 120.400 0.159 0.000 2.453 144 D HA 0.218 4.859 4.640 0.002 0.000 0.238 144 D C 0.175 176.435 176.300 -0.066 0.000 1.088 144 D CA -0.297 53.725 54.000 0.037 0.000 0.854 144 D CB 1.131 41.946 40.800 0.025 0.000 1.076 144 D HN 0.591 nan 8.370 nan 0.000 0.533 145 T N 0.340 114.757 114.554 -0.228 0.000 3.248 145 T HA 0.196 4.547 4.350 0.002 0.000 0.271 145 T C 0.284 174.642 174.700 -0.569 0.000 1.005 145 T CA -0.650 61.034 62.100 -0.694 0.000 0.902 145 T CB -1.167 67.150 68.868 -0.917 0.000 1.102 145 T HN 0.523 nan 8.240 nan 0.000 0.548 146 N N 3.265 121.813 118.700 -0.252 0.000 2.702 146 N HA -0.224 4.517 4.740 0.002 0.000 0.255 146 N C 0.065 175.498 175.510 -0.130 0.000 0.983 146 N CA 0.552 53.513 53.050 -0.149 0.000 0.768 146 N CB -0.553 37.862 38.487 -0.121 0.000 0.918 146 N HN 0.658 nan 8.380 nan 0.000 0.540 147 E N -3.461 116.669 120.200 -0.116 0.000 4.202 147 E HA -0.244 4.107 4.350 0.002 0.000 0.388 147 E C 0.088 176.652 176.600 -0.060 0.000 0.580 147 E CA 1.130 57.494 56.400 -0.061 0.000 1.386 147 E CB -0.837 28.840 29.700 -0.038 0.000 1.836 147 E HN 0.630 nan 8.360 nan 0.000 0.378 148 E N 1.522 121.643 120.200 -0.132 0.000 2.324 148 E HA 0.184 4.535 4.350 0.002 0.000 0.271 148 E C 0.961 177.537 176.600 -0.041 0.000 1.028 148 E CA 1.168 57.521 56.400 -0.078 0.000 0.890 148 E CB 0.819 30.489 29.700 -0.051 0.000 1.004 148 E HN 0.277 nan 8.360 nan 0.000 0.431 149 T N 0.713 115.296 114.554 0.048 0.000 2.980 149 T HA 0.301 4.652 4.350 0.002 0.000 0.252 149 T C 1.578 176.352 174.700 0.123 0.000 0.962 149 T CA 0.300 62.482 62.100 0.136 0.000 0.932 149 T CB -0.076 68.894 68.868 0.170 0.000 1.188 149 T HN 0.288 nan 8.240 nan 0.000 0.500 150 A N 2.500 125.368 122.820 0.080 0.000 1.930 150 A HA 0.099 4.420 4.320 0.002 0.000 0.217 150 A C 2.388 180.030 177.584 0.097 0.000 1.175 150 A CA 1.827 53.908 52.037 0.074 0.000 0.627 150 A CB -0.785 18.249 19.000 0.056 0.000 0.815 150 A HN 0.780 nan 8.150 nan 0.000 0.443 151 S N -0.791 114.975 115.700 0.110 0.000 2.572 151 S HA 0.401 4.872 4.470 0.002 0.000 0.228 151 S C 0.252 174.920 174.600 0.113 0.000 0.963 151 S CA -0.534 57.731 58.200 0.109 0.000 0.939 151 S CB -0.571 62.698 63.200 0.114 0.000 0.804 151 S HN 0.328 nan 8.310 nan 0.000 0.480 152 L N 2.785 124.080 121.223 0.119 0.000 2.584 152 L HA 0.268 4.609 4.340 0.002 0.000 0.272 152 L C -0.118 176.797 176.870 0.074 0.000 1.195 152 L CA 0.217 55.088 54.840 0.052 0.000 0.920 152 L CB 0.095 42.211 42.059 0.094 0.000 1.173 152 L HN 0.235 nan 8.230 nan 0.000 0.489 153 D N 4.028 124.432 120.400 0.006 0.000 2.476 153 D HA 0.284 4.925 4.640 0.002 0.000 0.251 153 D C -0.838 175.583 176.300 0.201 0.000 1.291 153 D CA -0.408 53.697 54.000 0.175 0.000 0.939 153 D CB 0.714 41.620 40.800 0.177 0.000 1.221 153 D HN 0.001 nan 8.370 nan 0.000 0.567 154 F N 1.657 121.671 119.950 0.107 0.000 2.443 154 F HA 0.217 4.745 4.527 0.002 0.000 0.353 154 F C 1.602 177.149 175.800 -0.420 0.000 1.101 154 F CA -0.329 57.602 58.000 -0.115 0.000 1.226 154 F CB 1.195 40.090 39.000 -0.175 0.000 1.140 154 F HN 0.145 nan 8.300 nan 0.000 0.557 155 S N 5.165 120.328 115.700 -0.895 0.000 2.573 155 S HA -0.001 4.470 4.470 0.002 0.000 0.297 155 S C -1.039 173.237 174.600 -0.540 0.000 1.280 155 S CA -1.117 56.197 58.200 -1.477 0.000 1.061 155 S CB 0.521 62.804 63.200 -1.529 0.000 0.812 155 S HN 0.471 nan 8.310 nan 0.000 0.500 156 P HA -0.070 nan 4.420 nan 0.000 0.221 156 P C 1.309 178.534 177.300 -0.124 0.000 1.145 156 P CA 0.754 63.770 63.100 -0.141 0.000 0.795 156 P CB -0.094 31.567 31.700 -0.066 0.000 0.775 157 V N -0.542 119.257 119.914 -0.193 0.000 2.809 157 V HA 0.024 4.145 4.120 0.002 0.000 0.256 157 V C 2.122 178.174 176.094 -0.071 0.000 1.080 157 V CA 1.762 63.989 62.300 -0.122 0.000 1.102 157 V CB -1.527 30.205 31.823 -0.151 0.000 0.705 157 V HN 0.348 nan 8.190 nan 0.000 0.475 158 G N 1.255 110.002 108.800 -0.088 0.000 2.176 158 G HA2 -0.258 3.703 3.960 0.002 0.000 0.253 158 G HA3 -0.258 3.703 3.960 0.002 0.000 0.253 158 G C 0.448 175.407 174.900 0.098 0.000 0.979 158 G CA 0.475 45.600 45.100 0.042 0.000 0.641 158 G HN 0.689 nan 8.290 nan 0.000 0.530 159 D N -0.454 119.871 120.400 -0.126 0.000 2.440 159 D HA 0.257 4.898 4.640 0.002 0.000 0.216 159 D C 0.845 177.069 176.300 -0.127 0.000 1.150 159 D CA -0.044 53.669 54.000 -0.478 0.000 0.832 159 D CB 0.253 40.627 40.800 -0.710 0.000 0.992 159 D HN 0.580 nan 8.370 nan 0.000 0.502 160 R N -0.800 119.717 120.500 0.029 0.000 2.739 160 R HA 0.676 5.017 4.340 0.002 0.000 0.271 160 R C -1.838 174.423 176.300 -0.065 0.000 1.010 160 R CA -1.051 55.097 56.100 0.080 0.000 0.897 160 R CB 2.980 33.276 30.300 -0.007 0.000 1.236 160 R HN -0.045 nan 8.270 nan 0.000 0.466 161 V N 0.966 120.863 119.914 -0.028 0.000 2.733 161 V HA 0.762 4.884 4.120 0.002 0.000 0.306 161 V C -1.096 175.077 176.094 0.131 0.000 1.084 161 V CA -0.446 61.691 62.300 -0.272 0.000 0.905 161 V CB 1.803 32.917 31.823 -1.182 0.000 1.010 161 V HN 0.952 nan 8.190 nan 0.000 0.424 162 A N 6.288 129.247 122.820 0.233 0.000 2.304 162 A HA 0.964 5.285 4.320 0.002 0.000 0.301 162 A C -0.955 176.683 177.584 0.090 0.000 1.132 162 A CA -0.104 51.970 52.037 0.062 0.000 0.819 162 A CB 0.748 19.669 19.000 -0.132 0.000 1.094 162 A HN 1.800 nan 8.150 nan 0.000 0.492 163 Y N -1.759 118.509 120.300 -0.053 0.000 2.713 163 Y HA 0.625 5.176 4.550 0.002 0.000 0.335 163 Y C -1.334 174.586 175.900 0.032 0.000 1.222 163 Y CA -1.457 56.627 58.100 -0.027 0.000 1.061 163 Y CB 0.694 39.131 38.460 -0.039 0.000 1.314 163 Y HN 0.435 nan 8.280 nan 0.000 0.453 164 V N 2.693 122.682 119.914 0.124 0.000 2.459 164 V HA 0.680 4.801 4.120 0.002 0.000 0.295 164 V C -0.502 175.723 176.094 0.220 0.000 1.029 164 V CA -0.768 61.585 62.300 0.089 0.000 0.874 164 V CB 1.560 33.426 31.823 0.072 0.000 0.985 164 V HN 0.794 nan 8.190 nan 0.000 0.438 165 R N 3.337 123.974 120.500 0.229 0.000 2.515 165 R HA 0.364 4.705 4.340 0.002 0.000 0.291 165 R C -0.305 176.068 176.300 0.122 0.000 1.046 165 R CA -0.631 55.568 56.100 0.164 0.000 0.914 165 R CB 0.998 31.376 30.300 0.130 0.000 1.191 165 R HN 0.876 nan 8.270 nan 0.000 0.435 166 N N 3.326 122.008 118.700 -0.030 0.000 2.714 166 N HA -0.229 4.512 4.740 0.002 0.000 0.253 166 N C -0.489 174.999 175.510 -0.038 0.000 1.024 166 N CA 1.393 54.361 53.050 -0.137 0.000 0.726 166 N CB -0.762 37.725 38.487 -0.000 0.000 0.908 166 N HN 0.874 nan 8.380 nan 0.000 0.542 167 H N -4.842 114.295 119.070 0.111 0.000 3.882 167 H HA -0.183 4.374 4.556 0.002 0.000 0.165 167 H C -0.067 175.331 175.328 0.117 0.000 0.896 167 H CA 1.438 57.549 56.048 0.105 0.000 1.243 167 H CB -1.237 28.578 29.762 0.089 0.000 0.958 167 H HN 0.510 nan 8.280 nan 0.000 0.400 168 N N 0.610 119.401 118.700 0.153 0.000 2.335 168 N HA 0.396 5.137 4.740 0.002 0.000 0.304 168 N C -0.274 175.063 175.510 -0.288 0.000 1.135 168 N CA -0.788 52.203 53.050 -0.099 0.000 0.817 168 N CB 2.418 40.750 38.487 -0.259 0.000 1.294 168 N HN 0.030 nan 8.380 nan 0.000 0.497 169 L N 1.883 122.752 121.223 -0.589 0.000 2.326 169 L HA 0.443 4.784 4.340 0.002 0.000 0.278 169 L C -1.384 174.886 176.870 -1.000 0.000 1.092 169 L CA -0.027 54.420 54.840 -0.655 0.000 0.810 169 L CB -0.041 41.573 42.059 -0.741 0.000 1.153 169 L HN 0.407 nan 8.230 nan 0.000 0.439 170 Y N 4.415 124.288 120.300 -0.711 0.000 2.545 170 Y HA 0.638 5.189 4.550 0.002 0.000 0.348 170 Y C -0.412 175.124 175.900 -0.606 0.000 1.002 170 Y CA -0.678 56.987 58.100 -0.726 0.000 1.039 170 Y CB 1.854 39.712 38.460 -1.003 0.000 1.271 170 Y HN 0.392 nan 8.280 nan 0.000 0.467 171 I N 2.147 122.601 120.570 -0.194 0.000 2.436 171 I HA 0.675 4.846 4.170 0.002 0.000 0.289 171 I C -0.657 175.554 176.117 0.156 0.000 1.010 171 I CA -0.830 60.473 61.300 0.004 0.000 1.098 171 I CB 1.653 39.679 38.000 0.044 0.000 1.266 171 I HN 0.680 nan 8.210 nan 0.000 0.434 172 A N 6.372 129.356 122.820 0.274 0.000 2.317 172 A HA 0.674 4.995 4.320 0.002 0.000 0.327 172 A C -0.373 177.368 177.584 0.262 0.000 1.178 172 A CA -0.638 51.570 52.037 0.284 0.000 0.817 172 A CB 1.044 20.254 19.000 0.351 0.000 1.189 172 A HN 0.791 nan 8.150 nan 0.000 0.489 173 R N 1.945 122.559 120.500 0.189 0.000 2.297 173 R HA 0.458 4.799 4.340 0.002 0.000 0.308 173 R C 0.603 176.931 176.300 0.047 0.000 1.029 173 R CA 0.103 56.272 56.100 0.115 0.000 0.929 173 R CB 0.858 31.191 30.300 0.056 0.000 1.046 173 R HN 0.903 nan 8.270 nan 0.000 0.461 174 G N 1.576 110.290 108.800 -0.143 0.000 2.491 174 G HA2 0.331 4.292 3.960 0.002 0.000 0.242 174 G HA3 0.331 4.292 3.960 0.002 0.000 0.242 174 G C -0.368 174.408 174.900 -0.207 0.000 1.266 174 G CA -0.394 44.323 45.100 -0.638 0.000 0.844 174 G HN 0.691 nan 8.290 nan 0.000 0.571 175 G N 0.811 109.537 108.800 -0.123 0.000 2.416 175 G HA2 0.505 4.466 3.960 0.002 0.000 0.324 175 G HA3 0.505 4.466 3.960 0.002 0.000 0.324 175 G C -0.055 174.867 174.900 0.037 0.000 1.194 175 G CA -0.694 44.410 45.100 0.006 0.000 0.922 175 G HN 0.530 nan 8.290 nan 0.000 0.467 176 K N 1.110 121.538 120.400 0.046 0.000 2.295 176 K HA 0.100 4.421 4.320 0.002 0.000 0.270 176 K C 0.085 176.637 176.600 -0.079 0.000 1.011 176 K CA -0.755 55.479 56.287 -0.087 0.000 0.953 176 K CB 1.269 33.711 32.500 -0.096 0.000 0.956 176 K HN 0.284 nan 8.250 nan 0.000 0.477 177 L N 2.395 123.552 121.223 -0.110 0.000 2.737 177 L HA -0.089 4.252 4.340 0.002 0.000 0.279 177 L C 0.977 177.818 176.870 -0.048 0.000 1.200 177 L CA 1.537 56.335 54.840 -0.070 0.000 0.952 177 L CB -1.087 40.929 42.059 -0.072 0.000 1.240 177 L HN 0.930 nan 8.230 nan 0.000 0.486 178 G N 4.006 112.786 108.800 -0.032 0.000 2.371 178 G HA2 -0.301 3.660 3.960 0.002 0.000 0.299 178 G HA3 -0.301 3.660 3.960 0.002 0.000 0.299 178 G C 0.585 175.473 174.900 -0.020 0.000 1.014 178 G CA 0.732 45.818 45.100 -0.022 0.000 1.097 178 G HN 0.798 nan 8.290 nan 0.000 0.512 179 E N -0.885 119.304 120.200 -0.018 0.000 2.715 179 E HA 0.439 4.790 4.350 0.002 0.000 0.224 179 E C 1.198 177.796 176.600 -0.002 0.000 0.962 179 E CA 0.090 56.484 56.400 -0.010 0.000 1.145 179 E CB 0.780 30.475 29.700 -0.009 0.000 1.083 179 E HN 1.639 nan 8.360 nan 0.000 0.506 180 G N 1.851 110.649 108.800 -0.004 0.000 2.785 180 G HA2 -0.237 3.724 3.960 0.002 0.000 0.685 180 G HA3 -0.237 3.724 3.960 0.002 0.000 0.685 180 G C -0.156 174.746 174.900 0.004 0.000 1.480 180 G CA -0.496 44.604 45.100 0.000 0.000 0.915 180 G HN -0.036 nan 8.290 nan 0.000 0.576 181 M N 0.044 119.648 119.600 0.006 0.000 2.494 181 M HA 0.732 5.213 4.480 0.002 0.000 0.300 181 M C 0.669 176.980 176.300 0.019 0.000 1.189 181 M CA -0.664 54.643 55.300 0.011 0.000 0.982 181 M CB 1.584 34.191 32.600 0.011 0.000 1.534 181 M HN 0.806 nan 8.290 nan 0.000 0.488 182 S N -0.192 115.526 115.700 0.028 0.000 2.542 182 S HA 0.497 4.968 4.470 0.002 0.000 0.293 182 S C -0.647 173.983 174.600 0.049 0.000 1.089 182 S CA -0.792 57.431 58.200 0.037 0.000 0.961 182 S CB 1.853 65.077 63.200 0.041 0.000 1.062 182 S HN 0.645 nan 8.310 nan 0.000 0.483 183 R N 2.091 122.620 120.500 0.048 0.000 2.590 183 R HA 0.410 4.751 4.340 0.002 0.000 0.274 183 R C 0.331 176.680 176.300 0.081 0.000 1.061 183 R CA 0.033 56.168 56.100 0.057 0.000 1.081 183 R CB 0.277 30.606 30.300 0.048 0.000 0.984 183 R HN 0.735 nan 8.270 nan 0.000 0.448 184 A N 4.729 127.611 122.820 0.103 0.000 2.466 184 A HA 0.167 4.488 4.320 0.002 0.000 0.238 184 A C 0.148 177.815 177.584 0.139 0.000 1.074 184 A CA -0.120 52.006 52.037 0.148 0.000 0.774 184 A CB 0.181 19.304 19.000 0.206 0.000 1.015 184 A HN 0.733 nan 8.150 nan 0.000 0.498 185 I N 1.270 121.899 120.570 0.098 0.000 2.365 185 I HA 0.371 4.542 4.170 0.002 0.000 0.291 185 I C 0.826 176.883 176.117 -0.100 0.000 1.004 185 I CA 0.025 61.330 61.300 0.007 0.000 1.311 185 I CB 1.572 39.554 38.000 -0.031 0.000 1.401 185 I HN 0.662 nan 8.210 nan 0.000 0.491 186 A N 6.397 129.121 122.820 -0.160 0.000 2.437 186 A HA 0.338 4.659 4.320 0.002 0.000 0.303 186 A C 1.058 178.291 177.584 -0.586 0.000 1.324 186 A CA -0.448 51.287 52.037 -0.503 0.000 0.983 186 A CB 0.168 18.989 19.000 -0.298 0.000 1.142 186 A HN 0.683 nan 8.150 nan 0.000 0.541 187 V N 2.542 121.959 119.914 -0.828 0.000 2.427 187 V HA -0.070 4.051 4.120 0.002 0.000 0.248 187 V C 1.553 177.224 176.094 -0.705 0.000 1.051 187 V CA 2.211 63.969 62.300 -0.902 0.000 1.048 187 V CB -1.136 30.007 31.823 -1.134 0.000 0.666 187 V HN 0.963 nan 8.190 nan 0.000 0.456 188 T N -1.931 112.147 114.554 -0.793 0.000 2.916 188 T HA 0.680 5.031 4.350 0.002 0.000 0.292 188 T C 0.086 174.482 174.700 -0.507 0.000 1.055 188 T CA -0.183 61.488 62.100 -0.715 0.000 1.009 188 T CB 2.521 70.637 68.868 -1.254 0.000 1.118 188 T HN 0.238 nan 8.240 nan 0.000 0.497 189 I N -1.580 118.808 120.570 -0.303 0.000 4.557 189 I HA 0.404 4.575 4.170 0.002 0.000 0.333 189 I C 0.410 176.505 176.117 -0.036 0.000 1.332 189 I CA -0.395 60.815 61.300 -0.151 0.000 1.240 189 I CB 0.625 38.568 38.000 -0.095 0.000 1.312 189 I HN 0.587 nan 8.210 nan 0.000 0.457 190 D N 1.345 121.755 120.400 0.018 0.000 2.462 190 D HA 0.212 4.853 4.640 0.002 0.000 0.221 190 D C 0.926 177.350 176.300 0.208 0.000 1.173 190 D CA -0.206 53.861 54.000 0.111 0.000 0.831 190 D CB -0.048 40.815 40.800 0.105 0.000 1.001 190 D HN 0.252 nan 8.370 nan 0.000 0.499 191 G N 0.296 109.268 108.800 0.287 0.000 2.380 191 G HA2 0.416 4.377 3.960 0.002 0.000 0.242 191 G HA3 0.416 4.377 3.960 0.002 0.000 0.242 191 G C 0.243 175.178 174.900 0.059 0.000 1.298 191 G CA 0.589 45.874 45.100 0.308 0.000 0.878 191 G HN 0.377 nan 8.290 nan 0.000 0.542 192 T N -1.337 113.121 114.554 -0.160 0.000 2.612 192 T HA 0.366 4.717 4.350 0.002 0.000 0.296 192 T C 1.076 175.410 174.700 -0.609 0.000 1.148 192 T CA -0.012 61.783 62.100 -0.507 0.000 1.077 192 T CB 1.214 69.910 68.868 -0.286 0.000 1.591 192 T HN 0.448 nan 8.240 nan 0.000 0.479 193 E N 0.681 120.553 120.200 -0.547 0.000 2.086 193 E HA -0.265 4.086 4.350 0.002 0.000 0.205 193 E C 1.607 177.989 176.600 -0.362 0.000 1.027 193 E CA 2.403 58.630 56.400 -0.288 0.000 0.830 193 E CB -0.423 29.223 29.700 -0.091 0.000 0.751 193 E HN 0.790 nan 8.360 nan 0.000 0.456 194 T N -1.711 112.597 114.554 -0.411 0.000 3.122 194 T HA 0.216 4.567 4.350 0.002 0.000 0.250 194 T C 0.172 174.648 174.700 -0.373 0.000 1.067 194 T CA -0.376 61.404 62.100 -0.534 0.000 0.966 194 T CB 0.386 68.976 68.868 -0.463 0.000 1.002 194 T HN 0.053 nan 8.240 nan 0.000 0.542 195 L N 1.806 122.837 121.223 -0.320 0.000 2.518 195 L HA 0.597 4.938 4.340 0.002 0.000 0.262 195 L C -1.336 175.321 176.870 -0.355 0.000 0.982 195 L CA -0.802 53.839 54.840 -0.330 0.000 0.873 195 L CB 1.857 43.749 42.059 -0.278 0.000 1.198 195 L HN 0.006 nan 8.230 nan 0.000 0.427 196 V N 4.987 124.690 119.914 -0.351 0.000 2.398 196 V HA 0.462 4.583 4.120 0.002 0.000 0.286 196 V C -0.711 175.234 176.094 -0.247 0.000 1.026 196 V CA -0.493 61.683 62.300 -0.206 0.000 0.868 196 V CB 1.310 33.064 31.823 -0.114 0.000 0.982 196 V HN 0.539 nan 8.190 nan 0.000 0.443 197 Y N 1.730 122.068 120.300 0.064 0.000 2.393 197 Y HA 0.610 5.161 4.550 0.002 0.000 0.341 197 Y C 1.186 177.125 175.900 0.065 0.000 0.988 197 Y CA 0.273 58.425 58.100 0.088 0.000 1.078 197 Y CB 2.170 40.611 38.460 -0.032 0.000 1.203 197 Y HN 0.862 nan 8.280 nan 0.000 0.453 198 G N 1.892 110.893 108.800 0.335 0.000 2.148 198 G HA2 -0.212 3.749 3.960 0.002 0.000 0.254 198 G HA3 -0.212 3.749 3.960 0.002 0.000 0.254 198 G C -0.291 174.698 174.900 0.148 0.000 0.981 198 G CA -0.162 45.044 45.100 0.176 0.000 0.670 198 G HN 0.513 nan 8.290 nan 0.000 0.528 199 Q N -0.600 119.316 119.800 0.194 0.000 2.445 199 Q HA 0.740 5.081 4.340 0.002 0.000 0.281 199 Q C 0.356 176.477 176.000 0.201 0.000 1.101 199 Q CA -0.497 55.397 55.803 0.153 0.000 0.833 199 Q CB 1.819 30.620 28.738 0.105 0.000 1.416 199 Q HN 0.838 nan 8.270 nan 0.000 0.451 200 A N 0.850 123.766 122.820 0.160 0.000 2.520 200 A HA 0.351 4.672 4.320 0.002 0.000 0.235 200 A C 0.298 177.868 177.584 -0.022 0.000 1.065 200 A CA -0.032 52.094 52.037 0.149 0.000 0.764 200 A CB -0.083 18.996 19.000 0.131 0.000 1.002 200 A HN 0.529 nan 8.150 nan 0.000 0.502 201 V N -1.743 118.059 119.914 -0.187 0.000 3.119 201 V HA 0.664 4.785 4.120 0.002 0.000 0.311 201 V C 0.356 176.333 176.094 -0.195 0.000 1.259 201 V CA -0.560 61.484 62.300 -0.427 0.000 1.067 201 V CB 1.032 32.261 31.823 -0.989 0.000 1.123 201 V HN 1.144 nan 8.190 nan 0.000 0.463 202 H N 0.520 119.640 119.070 0.083 0.000 2.776 202 H HA -0.145 4.413 4.556 0.002 0.000 0.300 202 H C 0.788 176.177 175.328 0.103 0.000 1.161 202 H CA 1.061 57.287 56.048 0.297 0.000 1.147 202 H CB -1.738 28.186 29.762 0.271 0.000 1.366 202 H HN 0.949 nan 8.280 nan 0.000 0.397 203 Q N -1.106 118.798 119.800 0.173 0.000 2.494 203 Q HA -0.280 4.061 4.340 0.002 0.000 0.266 203 Q C 0.753 176.782 176.000 0.048 0.000 1.053 203 Q CA 1.393 57.232 55.803 0.060 0.000 1.029 203 Q CB -1.193 27.523 28.738 -0.037 0.000 1.423 203 Q HN 0.887 nan 8.270 nan 0.000 0.516 204 R N -1.296 119.252 120.500 0.080 0.000 3.953 204 R HA -0.176 4.165 4.340 0.002 0.000 0.340 204 R C 0.183 176.502 176.300 0.033 0.000 1.195 204 R CA 1.398 57.548 56.100 0.085 0.000 0.929 204 R CB -0.973 29.375 30.300 0.079 0.000 1.402 204 R HN 0.318 nan 8.270 nan 0.000 0.540 205 E N 0.378 120.547 120.200 -0.051 0.000 2.421 205 E HA 0.107 4.458 4.350 0.002 0.000 0.253 205 E C 0.830 177.318 176.600 -0.186 0.000 1.277 205 E CA -0.187 56.016 56.400 -0.327 0.000 0.968 205 E CB 0.034 29.252 29.700 -0.804 0.000 1.040 205 E HN 0.178 nan 8.360 nan 0.000 0.512 206 F N -0.660 119.298 119.950 0.014 0.000 3.084 206 F HA -0.256 4.272 4.527 0.002 0.000 0.286 206 F C 1.234 177.064 175.800 0.051 0.000 0.855 206 F CA 0.527 58.547 58.000 0.034 0.000 1.091 206 F CB -2.089 36.941 39.000 0.050 0.000 1.177 206 F HN 0.699 nan 8.300 nan 0.000 0.542 207 G N -0.088 108.779 108.800 0.111 0.000 2.168 207 G HA2 -0.356 3.605 3.960 0.002 0.000 0.263 207 G HA3 -0.356 3.605 3.960 0.002 0.000 0.263 207 G C 0.188 175.201 174.900 0.188 0.000 0.977 207 G CA 0.099 45.254 45.100 0.092 0.000 0.659 207 G HN 0.552 nan 8.290 nan 0.000 0.533 208 I N 0.876 121.593 120.570 0.245 0.000 2.436 208 I HA 0.250 4.421 4.170 0.002 0.000 0.289 208 I C 1.177 177.443 176.117 0.248 0.000 1.083 208 I CA 0.282 61.774 61.300 0.321 0.000 1.372 208 I CB 0.795 39.012 38.000 0.361 0.000 1.408 208 I HN 0.238 nan 8.210 nan 0.000 0.516 209 E N 6.016 126.372 120.200 0.260 0.000 2.539 209 E HA 0.122 4.473 4.350 0.002 0.000 0.215 209 E C -0.235 176.468 176.600 0.173 0.000 0.965 209 E CA -0.088 56.425 56.400 0.188 0.000 1.019 209 E CB 0.643 30.443 29.700 0.167 0.000 1.059 209 E HN 0.620 nan 8.360 nan 0.000 0.496 210 K N -1.746 118.781 120.400 0.211 0.000 2.556 210 K HA 0.569 4.890 4.320 0.002 0.000 0.289 210 K C -0.072 176.632 176.600 0.172 0.000 1.040 210 K CA -0.866 55.489 56.287 0.113 0.000 0.894 210 K CB 1.059 33.551 32.500 -0.014 0.000 1.547 210 K HN -0.051 nan 8.250 nan 0.000 0.417 211 G N 0.370 109.187 108.800 0.029 0.000 3.979 211 G HA2 0.207 4.168 3.960 0.002 0.000 0.287 211 G HA3 0.207 4.168 3.960 0.002 0.000 0.287 211 G C -0.638 174.187 174.900 -0.125 0.000 1.011 211 G CA 0.143 45.359 45.100 0.193 0.000 0.818 211 G HN 0.737 nan 8.290 nan 0.000 0.470 212 T N -1.553 112.637 114.554 -0.606 0.000 2.861 212 T HA 0.732 5.083 4.350 0.002 0.000 0.287 212 T C -1.269 172.872 174.700 -0.932 0.000 1.003 212 T CA -0.841 60.950 62.100 -0.515 0.000 0.977 212 T CB 1.835 70.511 68.868 -0.319 0.000 0.996 212 T HN -0.009 nan 8.240 nan 0.000 0.448 213 F N 1.177 121.134 119.950 0.012 0.000 2.902 213 F HA 0.418 4.946 4.527 0.002 0.000 0.368 213 F C -0.647 175.315 175.800 0.269 0.000 1.202 213 F CA -1.359 56.761 58.000 0.199 0.000 1.109 213 F CB 0.848 39.976 39.000 0.213 0.000 1.418 213 F HN 0.614 nan 8.300 nan 0.000 0.527 214 W N 2.260 123.689 121.300 0.214 0.000 2.181 214 W HA 0.383 5.044 4.660 0.002 0.000 0.335 214 W C 0.863 177.173 176.519 -0.348 0.000 1.310 214 W CA -0.150 57.188 57.345 -0.012 0.000 1.226 214 W CB 0.956 30.402 29.460 -0.023 0.000 1.155 214 W HN 0.489 nan 8.180 nan 0.000 0.565 215 S N 3.318 118.650 115.700 -0.614 0.000 2.585 215 S HA 0.162 4.633 4.470 0.002 0.000 0.273 215 S C -1.460 172.891 174.600 -0.416 0.000 1.339 215 S CA -1.110 56.297 58.200 -1.322 0.000 1.028 215 S CB 1.195 63.354 63.200 -1.735 0.000 0.906 215 S HN 0.401 nan 8.310 nan 0.000 0.528 216 P HA 0.030 nan 4.420 nan 0.000 0.234 216 P C 0.210 177.471 177.300 -0.066 0.000 1.167 216 P CA 0.854 63.917 63.100 -0.061 0.000 0.763 216 P CB -0.065 31.652 31.700 0.029 0.000 0.835 217 K N -1.194 119.141 120.400 -0.108 0.000 2.387 217 K HA 0.346 4.667 4.320 0.002 0.000 0.203 217 K C 1.083 177.631 176.600 -0.087 0.000 1.030 217 K CA 0.429 56.670 56.287 -0.077 0.000 1.099 217 K CB 0.208 32.673 32.500 -0.057 0.000 0.863 217 K HN 0.028 nan 8.250 nan 0.000 0.529 218 G N 1.410 110.153 108.800 -0.094 0.000 2.162 218 G HA2 -0.305 3.656 3.960 0.002 0.000 0.260 218 G HA3 -0.305 3.656 3.960 0.002 0.000 0.260 218 G C 0.878 175.815 174.900 0.062 0.000 0.976 218 G CA 0.727 45.798 45.100 -0.047 0.000 0.655 218 G HN 0.312 nan 8.290 nan 0.000 0.533 219 S N -1.333 114.353 115.700 -0.023 0.000 2.453 219 S HA 0.215 4.686 4.470 0.002 0.000 0.231 219 S C 1.034 175.634 174.600 -0.000 0.000 1.005 219 S CA 1.000 59.200 58.200 -0.001 0.000 0.949 219 S CB 0.264 63.447 63.200 -0.028 0.000 0.774 219 S HN 0.829 nan 8.310 nan 0.000 0.510 220 C N 0.845 120.093 119.300 -0.086 0.000 2.898 220 C HA 0.755 5.216 4.460 0.002 0.000 0.304 220 C C -0.841 174.089 174.990 -0.101 0.000 1.237 220 C CA -1.122 57.800 59.018 -0.160 0.000 1.529 220 C CB 1.505 29.050 27.740 -0.326 0.000 2.021 220 C HN 0.409 nan 8.230 nan 0.000 0.474 221 L N 2.537 123.712 121.223 -0.080 0.000 2.342 221 L HA 0.777 5.118 4.340 0.002 0.000 0.276 221 L C 0.121 177.074 176.870 0.138 0.000 0.997 221 L CA -0.010 54.713 54.840 -0.194 0.000 0.838 221 L CB 0.875 42.603 42.059 -0.552 0.000 1.224 221 L HN 0.903 nan 8.230 nan 0.000 0.416 222 A N 4.639 127.640 122.820 0.302 0.000 2.302 222 A HA 0.817 5.138 4.320 0.002 0.000 0.285 222 A C -0.898 176.809 177.584 0.204 0.000 1.105 222 A CA -0.226 51.916 52.037 0.174 0.000 0.816 222 A CB 0.282 19.372 19.000 0.149 0.000 1.067 222 A HN 0.809 nan 8.150 nan 0.000 0.489 223 F N -1.532 118.415 119.950 -0.005 0.000 2.678 223 F HA 0.612 5.140 4.527 0.002 0.000 0.308 223 F C -1.287 174.546 175.800 0.056 0.000 1.118 223 F CA -1.479 56.529 58.000 0.014 0.000 0.959 223 F CB 0.745 39.720 39.000 -0.041 0.000 1.305 223 F HN 0.515 nan 8.300 nan 0.000 0.443 224 Y N 1.443 121.950 120.300 0.346 0.000 2.309 224 Y HA 0.475 5.026 4.550 0.002 0.000 0.327 224 Y C 0.488 176.585 175.900 0.328 0.000 1.172 224 Y CA -0.642 57.585 58.100 0.211 0.000 1.280 224 Y CB 1.183 39.734 38.460 0.151 0.000 1.234 224 Y HN 0.657 nan 8.280 nan 0.000 0.512 225 R N 4.792 125.530 120.500 0.397 0.000 2.409 225 R HA 0.447 4.788 4.340 0.002 0.000 0.313 225 R C -1.520 174.758 176.300 -0.036 0.000 0.953 225 R CA -0.667 55.544 56.100 0.184 0.000 0.849 225 R CB 0.870 31.379 30.300 0.347 0.000 1.171 225 R HN 0.853 nan 8.270 nan 0.000 0.458 226 M N 4.651 124.136 119.600 -0.191 0.000 2.078 226 M HA 0.228 4.709 4.480 0.002 0.000 0.320 226 M C -1.299 174.860 176.300 -0.235 0.000 0.969 226 M CA -0.628 54.535 55.300 -0.227 0.000 0.929 226 M CB 1.313 33.706 32.600 -0.345 0.000 1.504 226 M HN 0.501 nan 8.290 nan 0.000 0.419 227 D N 4.427 124.735 120.400 -0.154 0.000 2.339 227 D HA 0.092 4.733 4.640 0.002 0.000 0.241 227 D C 0.001 176.206 176.300 -0.158 0.000 1.183 227 D CA 0.114 54.015 54.000 -0.164 0.000 0.859 227 D CB 0.961 41.700 40.800 -0.102 0.000 1.067 227 D HN 0.770 nan 8.370 nan 0.000 0.484 228 Q N 1.710 121.380 119.800 -0.217 0.000 2.175 228 Q HA 0.094 4.436 4.340 0.002 0.000 0.225 228 Q C 0.674 176.532 176.000 -0.237 0.000 0.837 228 Q CA -0.317 55.381 55.803 -0.175 0.000 1.032 228 Q CB 0.146 28.788 28.738 -0.159 0.000 1.137 228 Q HN 0.316 nan 8.270 nan 0.000 0.483 229 S N 1.045 116.608 115.700 -0.228 0.000 2.474 229 S HA -0.111 4.361 4.470 0.002 0.000 0.235 229 S C 1.876 176.433 174.600 -0.072 0.000 0.997 229 S CA 0.632 58.732 58.200 -0.167 0.000 0.949 229 S CB -0.234 62.882 63.200 -0.142 0.000 0.766 229 S HN 0.593 nan 8.310 nan 0.000 0.517 230 M N 0.736 120.274 119.600 -0.103 0.000 2.495 230 M HA 0.362 4.843 4.480 0.002 0.000 0.237 230 M C -0.099 176.201 176.300 -0.000 0.000 1.131 230 M CA 0.087 55.343 55.300 -0.072 0.000 1.032 230 M CB -1.075 31.427 32.600 -0.164 0.000 1.513 230 M HN 0.013 nan 8.290 nan 0.000 0.488 231 V N 2.676 122.633 119.914 0.072 0.000 2.432 231 V HA 0.265 4.386 4.120 0.002 0.000 0.275 231 V C 0.242 176.456 176.094 0.200 0.000 1.043 231 V CA -0.689 61.697 62.300 0.144 0.000 0.925 231 V CB 1.263 33.217 31.823 0.218 0.000 0.985 231 V HN 0.344 nan 8.190 nan 0.000 0.466 232 K N 7.658 128.117 120.400 0.099 0.000 2.349 232 K HA 0.296 4.617 4.320 0.002 0.000 0.289 232 K C -2.193 174.396 176.600 -0.018 0.000 1.064 232 K CA -1.235 55.079 56.287 0.045 0.000 0.947 232 K CB 0.740 33.253 32.500 0.020 0.000 1.007 232 K HN 0.466 nan 8.250 nan 0.000 0.478 233 P HA 0.131 nan 4.420 nan 0.000 0.276 233 P C -0.874 176.318 177.300 -0.180 0.000 1.252 233 P CA -0.495 62.397 63.100 -0.347 0.000 0.802 233 P CB 1.182 32.377 31.700 -0.842 0.000 1.035 234 T N 2.404 116.871 114.554 -0.145 0.000 2.824 234 T HA 0.435 4.786 4.350 0.002 0.000 0.280 234 T C -2.434 172.212 174.700 -0.090 0.000 0.995 234 T CA -1.429 60.617 62.100 -0.090 0.000 1.009 234 T CB 0.871 69.699 68.868 -0.067 0.000 0.955 234 T HN 0.341 nan 8.240 nan 0.000 0.452 235 P HA 0.324 nan 4.420 nan 0.000 0.281 235 P C -0.877 176.426 177.300 0.005 0.000 1.252 235 P CA -0.446 62.630 63.100 -0.039 0.000 0.778 235 P CB 0.496 32.178 31.700 -0.030 0.000 0.895 236 I N 4.208 124.779 120.570 0.002 0.000 2.355 236 I HA 0.219 4.390 4.170 0.002 0.000 0.288 236 I C -0.014 176.093 176.117 -0.018 0.000 0.999 236 I CA -0.824 60.492 61.300 0.027 0.000 1.163 236 I CB 1.698 39.716 38.000 0.029 0.000 1.316 236 I HN 0.031 nan 8.210 nan 0.000 0.454 237 V N 5.336 125.229 119.914 -0.034 0.000 2.394 237 V HA 0.229 4.350 4.120 0.002 0.000 0.282 237 V C 0.008 175.908 176.094 -0.322 0.000 1.031 237 V CA -0.677 61.478 62.300 -0.242 0.000 0.881 237 V CB 1.938 33.510 31.823 -0.419 0.000 0.982 237 V HN 0.602 nan 8.190 nan 0.000 0.451 238 D N 3.102 123.333 120.400 -0.282 0.000 2.339 238 D HA 0.211 4.852 4.640 0.002 0.000 0.241 238 D C 0.197 176.307 176.300 -0.316 0.000 1.183 238 D CA -0.023 53.865 54.000 -0.187 0.000 0.859 238 D CB 0.739 41.508 40.800 -0.053 0.000 1.067 238 D HN 0.520 nan 8.370 nan 0.000 0.484 239 Y N 2.093 122.305 120.300 -0.146 0.000 2.490 239 Y HA 0.017 4.568 4.550 0.002 0.000 0.281 239 Y C 1.953 177.718 175.900 -0.224 0.000 1.174 239 Y CA 0.128 58.117 58.100 -0.184 0.000 1.295 239 Y CB 0.258 38.591 38.460 -0.212 0.000 1.062 239 Y HN 0.586 nan 8.280 nan 0.000 0.522 240 H N -0.718 118.406 119.070 0.090 0.000 2.403 240 H HA 0.074 4.631 4.556 0.002 0.000 0.298 240 H C -1.215 174.136 175.328 0.038 0.000 1.059 240 H CA 0.429 56.512 56.048 0.058 0.000 1.363 240 H CB -1.452 28.328 29.762 0.030 0.000 1.410 240 H HN 0.242 nan 8.280 nan 0.000 0.528 241 P HA -0.079 nan 4.420 nan 0.000 0.270 241 P C 1.271 178.607 177.300 0.060 0.000 1.227 241 P CA -0.127 63.015 63.100 0.071 0.000 0.788 241 P CB 0.863 32.585 31.700 0.038 0.000 0.926 242 L N 0.956 122.208 121.223 0.048 0.000 1.991 242 L HA -0.209 4.132 4.340 0.002 0.000 0.221 242 L C 0.352 177.246 176.870 0.041 0.000 1.079 242 L CA 2.088 56.954 54.840 0.043 0.000 0.778 242 L CB -0.931 41.148 42.059 0.032 0.000 0.893 242 L HN 0.413 nan 8.230 nan 0.000 0.437 243 E N 0.071 120.289 120.200 0.030 0.000 2.197 243 E HA 0.535 4.886 4.350 0.002 0.000 0.281 243 E C 0.088 176.692 176.600 0.007 0.000 0.995 243 E CA 0.204 56.619 56.400 0.024 0.000 0.808 243 E CB 1.059 30.768 29.700 0.015 0.000 1.093 243 E HN 0.445 nan 8.360 nan 0.000 0.394 244 A N 3.536 126.356 122.820 0.001 0.000 2.547 244 A HA 0.079 4.400 4.320 0.002 0.000 0.233 244 A C -0.141 177.373 177.584 -0.117 0.000 1.067 244 A CA 0.240 52.217 52.037 -0.101 0.000 0.763 244 A CB 0.204 19.095 19.000 -0.183 0.000 1.007 244 A HN 0.666 nan 8.150 nan 0.000 0.506 245 E N 0.580 120.684 120.200 -0.159 0.000 2.241 245 E HA 0.411 4.763 4.350 0.002 0.000 0.263 245 E C -1.073 175.456 176.600 -0.119 0.000 0.882 245 E CA -0.368 55.973 56.400 -0.099 0.000 0.769 245 E CB 1.933 31.604 29.700 -0.050 0.000 1.185 245 E HN 0.527 nan 8.360 nan 0.000 0.415 246 S N 2.752 118.400 115.700 -0.087 0.000 2.541 246 S HA 0.415 4.886 4.470 0.002 0.000 0.283 246 S C -0.768 173.811 174.600 -0.035 0.000 1.196 246 S CA -0.571 57.585 58.200 -0.072 0.000 1.062 246 S CB 0.695 63.859 63.200 -0.059 0.000 1.009 246 S HN 0.430 nan 8.310 nan 0.000 0.502 247 K N 3.573 123.958 120.400 -0.024 0.000 2.378 247 K HA 0.576 4.897 4.320 0.002 0.000 0.252 247 K C -2.868 173.719 176.600 -0.022 0.000 0.931 247 K CA -2.378 53.911 56.287 0.002 0.000 0.794 247 K CB 1.510 34.026 32.500 0.027 0.000 1.181 247 K HN 0.320 nan 8.250 nan 0.000 0.425 248 P HA 0.084 nan 4.420 nan 0.000 0.276 248 P C -1.215 175.983 177.300 -0.171 0.000 1.235 248 P CA -0.506 62.481 63.100 -0.187 0.000 0.772 248 P CB 0.639 32.143 31.700 -0.327 0.000 0.871 249 L N 4.766 125.878 121.223 -0.185 0.000 2.287 249 L HA 0.381 4.722 4.340 0.002 0.000 0.287 249 L C -0.887 175.911 176.870 -0.120 0.000 1.022 249 L CA -0.649 54.164 54.840 -0.045 0.000 0.814 249 L CB 0.450 42.534 42.059 0.043 0.000 1.217 249 L HN 0.220 nan 8.230 nan 0.000 0.420 250 Y N 5.485 125.851 120.300 0.109 0.000 2.667 250 Y HA 0.157 4.709 4.550 0.002 0.000 0.340 250 Y C -0.690 175.293 175.900 0.139 0.000 1.303 250 Y CA 0.117 58.278 58.100 0.103 0.000 1.769 250 Y CB -0.483 38.015 38.460 0.064 0.000 1.804 250 Y HN 0.519 nan 8.280 nan 0.000 0.451 251 Y N 5.371 125.712 120.300 0.068 0.000 2.454 251 Y HA 0.394 4.945 4.550 0.002 0.000 0.345 251 Y C -2.474 173.451 175.900 0.041 0.000 0.970 251 Y CA -3.308 54.821 58.100 0.048 0.000 1.204 251 Y CB 0.865 39.326 38.460 0.002 0.000 1.122 251 Y HN 0.247 nan 8.280 nan 0.000 0.514 252 P HA 0.198 nan 4.420 nan 0.000 0.287 252 P C -0.726 176.515 177.300 -0.099 0.000 1.307 252 P CA -0.010 63.046 63.100 -0.074 0.000 0.777 252 P CB 0.826 32.455 31.700 -0.119 0.000 0.883 253 M N 2.222 121.861 119.600 0.065 0.000 2.288 253 M HA 0.416 4.897 4.480 0.002 0.000 0.334 253 M C 0.838 177.205 176.300 0.112 0.000 1.150 253 M CA -0.712 54.673 55.300 0.141 0.000 1.118 253 M CB 1.013 33.722 32.600 0.181 0.000 1.501 253 M HN 0.336 nan 8.290 nan 0.000 0.462 254 A N 1.542 124.474 122.820 0.187 0.000 2.598 254 A HA 0.329 4.650 4.320 0.002 0.000 0.239 254 A C 1.232 178.864 177.584 0.081 0.000 1.032 254 A CA 0.945 53.098 52.037 0.193 0.000 0.760 254 A CB -0.989 18.235 19.000 0.373 0.000 0.946 254 A HN 1.249 nan 8.150 nan 0.000 0.512 255 G N 1.660 110.489 108.800 0.049 0.000 2.199 255 G HA2 -0.185 3.777 3.960 0.002 0.000 0.254 255 G HA3 -0.185 3.777 3.960 0.002 0.000 0.254 255 G C 0.622 175.521 174.900 -0.002 0.000 0.982 255 G CA 1.207 46.301 45.100 -0.009 0.000 0.632 255 G HN 2.196 nan 8.290 nan 0.000 0.529 256 T N -1.228 113.336 114.554 0.016 0.000 2.897 256 T HA 0.663 5.014 4.350 0.002 0.000 0.278 256 T C -2.636 172.069 174.700 0.007 0.000 0.981 256 T CA -1.587 60.520 62.100 0.011 0.000 0.973 256 T CB 2.022 70.902 68.868 0.021 0.000 1.092 256 T HN 0.026 nan 8.240 nan 0.000 0.543 257 P HA 0.225 nan 4.420 nan 0.000 0.263 257 P C -0.244 177.048 177.300 -0.013 0.000 1.195 257 P CA 0.004 63.104 63.100 0.001 0.000 0.762 257 P CB 0.469 32.165 31.700 -0.006 0.000 0.799 258 S N 2.519 118.214 115.700 -0.010 0.000 2.624 258 S HA 0.157 4.628 4.470 0.002 0.000 0.263 258 S C 0.311 174.894 174.600 -0.028 0.000 1.287 258 S CA -0.636 57.524 58.200 -0.066 0.000 0.990 258 S CB 0.096 63.271 63.200 -0.041 0.000 0.950 258 S HN 0.531 nan 8.310 nan 0.000 0.561 259 H N 0.367 119.491 119.070 0.090 0.000 2.660 259 H HA 0.268 4.825 4.556 0.002 0.000 0.374 259 H C -0.662 174.774 175.328 0.179 0.000 1.291 259 H CA -0.383 55.677 56.048 0.021 0.000 1.437 259 H CB 0.102 29.877 29.762 0.023 0.000 1.509 259 H HN 0.678 nan 8.280 nan 0.000 0.614 260 H N 0.459 119.639 119.070 0.182 0.000 2.638 260 H HA 0.327 4.885 4.556 0.002 0.000 0.303 260 H C -0.731 174.617 175.328 0.033 0.000 1.034 260 H CA -0.911 55.190 56.048 0.088 0.000 1.225 260 H CB 1.491 31.258 29.762 0.008 0.000 1.394 260 H HN 0.216 nan 8.280 nan 0.000 0.477 261 V N 3.842 123.868 119.914 0.186 0.000 2.472 261 V HA 0.282 4.403 4.120 0.002 0.000 0.290 261 V C 0.435 176.573 176.094 0.074 0.000 1.037 261 V CA -0.457 61.866 62.300 0.038 0.000 0.908 261 V CB 1.658 33.406 31.823 -0.126 0.000 0.985 261 V HN 0.885 nan 8.190 nan 0.000 0.454 262 T N 1.548 116.157 114.554 0.091 0.000 2.907 262 T HA 0.777 5.128 4.350 0.002 0.000 0.290 262 T C -0.858 173.953 174.700 0.186 0.000 1.066 262 T CA -0.814 61.352 62.100 0.110 0.000 1.012 262 T CB 1.928 70.844 68.868 0.080 0.000 1.184 262 T HN 0.250 nan 8.240 nan 0.000 0.522 263 V N 1.068 121.027 119.914 0.076 0.000 2.409 263 V HA 0.723 4.844 4.120 0.002 0.000 0.291 263 V C 0.773 176.614 176.094 -0.421 0.000 1.020 263 V CA -0.519 61.686 62.300 -0.159 0.000 0.848 263 V CB 1.230 32.889 31.823 -0.274 0.000 0.990 263 V HN 1.245 nan 8.190 nan 0.000 0.430 264 G N 4.423 112.610 108.800 -1.021 0.000 2.412 264 G HA2 0.763 4.724 3.960 0.002 0.000 0.318 264 G HA3 0.763 4.724 3.960 0.002 0.000 0.318 264 G C -0.920 173.280 174.900 -1.167 0.000 1.146 264 G CA -0.566 43.525 45.100 -1.681 0.000 0.882 264 G HN 0.614 nan 8.290 nan 0.000 0.501 265 I N 0.807 120.984 120.570 -0.655 0.000 2.418 265 I HA 0.198 4.369 4.170 0.002 0.000 0.287 265 I C -1.263 174.814 176.117 -0.066 0.000 1.008 265 I CA -0.821 60.320 61.300 -0.265 0.000 1.104 265 I CB 2.050 39.935 38.000 -0.191 0.000 1.264 265 I HN 0.500 nan 8.210 nan 0.000 0.438 266 Y N 6.240 126.529 120.300 -0.017 0.000 2.341 266 Y HA 0.340 4.891 4.550 0.002 0.000 0.340 266 Y C -0.176 175.659 175.900 -0.109 0.000 0.997 266 Y CA -0.335 57.774 58.100 0.015 0.000 1.149 266 Y CB 0.464 38.947 38.460 0.039 0.000 1.171 266 Y HN 0.445 nan 8.280 nan 0.000 0.494 267 H N 8.472 127.245 119.070 -0.496 0.000 2.705 267 H HA 0.101 4.658 4.556 0.002 0.000 0.291 267 H C 0.595 175.553 175.328 -0.617 0.000 1.085 267 H CA -0.165 55.658 56.048 -0.375 0.000 1.357 267 H CB 1.489 31.121 29.762 -0.216 0.000 1.419 267 H HN 0.797 nan 8.280 nan 0.000 0.462 268 L N 3.104 124.174 121.223 -0.255 0.000 2.079 268 L HA -0.196 4.145 4.340 0.002 0.000 0.210 268 L C 2.595 179.427 176.870 -0.063 0.000 1.081 268 L CA 1.794 56.570 54.840 -0.106 0.000 0.752 268 L CB -0.618 41.522 42.059 0.136 0.000 0.896 268 L HN 0.701 nan 8.230 nan 0.000 0.433 269 A N -0.967 121.834 122.820 -0.032 0.000 1.933 269 A HA -0.201 4.120 4.320 0.002 0.000 0.218 269 A C 2.352 179.915 177.584 -0.035 0.000 1.175 269 A CA 2.316 54.345 52.037 -0.013 0.000 0.628 269 A CB -0.874 18.125 19.000 -0.002 0.000 0.814 269 A HN 0.516 nan 8.150 nan 0.000 0.444 270 T N -5.592 108.917 114.554 -0.075 0.000 2.990 270 T HA 0.415 4.766 4.350 0.002 0.000 0.250 270 T C 1.404 176.059 174.700 -0.076 0.000 1.041 270 T CA 1.096 63.155 62.100 -0.069 0.000 1.010 270 T CB 0.193 69.010 68.868 -0.084 0.000 1.003 270 T HN 1.709 nan 8.240 nan 0.000 0.499 271 G N 1.822 110.511 108.800 -0.185 0.000 2.168 271 G HA2 -0.293 3.668 3.960 0.002 0.000 0.257 271 G HA3 -0.293 3.668 3.960 0.002 0.000 0.257 271 G C -0.077 174.785 174.900 -0.064 0.000 0.997 271 G CA 0.510 45.523 45.100 -0.145 0.000 0.708 271 G HN 0.832 nan 8.290 nan 0.000 0.520 272 K N 0.493 120.817 120.400 -0.127 0.000 2.174 272 K HA 0.532 4.853 4.320 0.002 0.000 0.275 272 K C -0.366 176.273 176.600 0.065 0.000 1.015 272 K CA -0.132 56.155 56.287 0.001 0.000 0.933 272 K CB 0.560 33.044 32.500 -0.027 0.000 1.025 272 K HN 0.060 nan 8.250 nan 0.000 0.463 273 T N 2.446 117.094 114.554 0.156 0.000 2.797 273 T HA 0.282 4.633 4.350 0.002 0.000 0.279 273 T C -1.149 173.611 174.700 0.099 0.000 0.991 273 T CA -0.636 61.565 62.100 0.168 0.000 0.979 273 T CB 1.534 70.541 68.868 0.232 0.000 0.943 273 T HN 0.364 nan 8.240 nan 0.000 0.444 274 V N 4.052 123.977 119.914 0.019 0.000 2.628 274 V HA 0.621 4.742 4.120 0.002 0.000 0.306 274 V C -1.610 174.351 176.094 -0.223 0.000 1.045 274 V CA -0.807 61.497 62.300 0.007 0.000 0.905 274 V CB 1.490 33.355 31.823 0.071 0.000 0.997 274 V HN 0.851 nan 8.190 nan 0.000 0.436 275 Y N 5.008 125.290 120.300 -0.029 0.000 2.334 275 Y HA 0.520 5.071 4.550 0.002 0.000 0.328 275 Y C 0.527 176.355 175.900 -0.119 0.000 1.130 275 Y CA -0.553 57.489 58.100 -0.097 0.000 1.163 275 Y CB 1.402 39.823 38.460 -0.064 0.000 1.207 275 Y HN 0.460 nan 8.280 nan 0.000 0.471 276 L N 3.302 124.460 121.223 -0.109 0.000 2.485 276 L HA 0.054 4.395 4.340 0.002 0.000 0.275 276 L C 0.196 176.982 176.870 -0.140 0.000 1.207 276 L CA 0.108 54.797 54.840 -0.251 0.000 0.855 276 L CB 0.302 41.974 42.059 -0.646 0.000 1.114 276 L HN 0.589 nan 8.230 nan 0.000 0.485 277 Q N 1.375 121.168 119.800 -0.011 0.000 3.181 277 Q HA 0.039 4.380 4.340 0.002 0.000 0.293 277 Q C 1.036 177.107 176.000 0.118 0.000 1.406 277 Q CA -0.166 55.687 55.803 0.083 0.000 1.026 277 Q CB 0.159 28.988 28.738 0.152 0.000 1.630 277 Q HN 0.753 nan 8.270 nan 0.000 0.553 278 T N -2.892 111.628 114.554 -0.058 0.000 3.055 278 T HA 0.160 4.511 4.350 0.002 0.000 0.265 278 T C 1.208 175.893 174.700 -0.025 0.000 1.111 278 T CA 0.205 62.285 62.100 -0.034 0.000 1.118 278 T CB -0.023 68.752 68.868 -0.156 0.000 0.909 278 T HN 0.636 nan 8.240 nan 0.000 0.501 279 G N 1.323 110.094 108.800 -0.048 0.000 2.539 279 G HA2 -0.198 3.764 3.960 0.002 0.000 0.256 279 G HA3 -0.198 3.764 3.960 0.002 0.000 0.256 279 G C -0.737 174.097 174.900 -0.111 0.000 1.233 279 G CA -0.156 44.898 45.100 -0.077 0.000 0.936 279 G HN 0.593 nan 8.290 nan 0.000 0.571 280 E N 1.307 121.434 120.200 -0.120 0.000 2.221 280 E HA 0.501 4.852 4.350 0.002 0.000 0.268 280 E C -2.150 174.368 176.600 -0.138 0.000 0.933 280 E CA -1.540 54.778 56.400 -0.136 0.000 0.809 280 E CB 1.882 31.511 29.700 -0.119 0.000 1.190 280 E HN 0.449 nan 8.360 nan 0.000 0.406 281 P HA 0.073 nan 4.420 nan 0.000 0.271 281 P C -0.092 177.074 177.300 -0.223 0.000 1.218 281 P CA -0.038 62.958 63.100 -0.173 0.000 0.780 281 P CB 0.985 32.586 31.700 -0.165 0.000 0.901 282 K N 1.007 121.224 120.400 -0.306 0.000 2.283 282 K HA -0.109 4.212 4.320 0.002 0.000 0.202 282 K C 1.452 177.832 176.600 -0.367 0.000 1.048 282 K CA 1.185 57.189 56.287 -0.472 0.000 0.948 282 K CB 0.058 31.982 32.500 -0.961 0.000 0.742 282 K HN 0.538 nan 8.250 nan 0.000 0.458 283 E N 1.618 121.669 120.200 -0.248 0.000 2.478 283 E HA -0.083 4.268 4.350 0.002 0.000 0.198 283 E C -0.063 176.311 176.600 -0.377 0.000 1.046 283 E CA 0.205 56.512 56.400 -0.156 0.000 0.870 283 E CB 0.030 29.633 29.700 -0.161 0.000 0.818 283 E HN 0.322 nan 8.360 nan 0.000 0.527 284 K N 0.797 120.990 120.400 -0.346 0.000 2.485 284 K HA 0.009 4.330 4.320 0.002 0.000 0.277 284 K C -0.685 175.698 176.600 -0.362 0.000 0.990 284 K CA 0.143 56.166 56.287 -0.442 0.000 0.994 284 K CB 0.264 32.614 32.500 -0.250 0.000 0.906 284 K HN -0.178 nan 8.250 nan 0.000 0.488 285 F N 2.734 122.507 119.950 -0.295 0.000 2.424 285 F HA 0.239 4.767 4.527 0.002 0.000 0.356 285 F C 0.098 175.763 175.800 -0.225 0.000 1.110 285 F CA -1.164 56.499 58.000 -0.563 0.000 1.161 285 F CB 0.761 39.221 39.000 -0.899 0.000 1.115 285 F HN 0.175 nan 8.300 nan 0.000 0.507 286 L N 4.472 125.887 121.223 0.319 0.000 2.277 286 L HA 0.431 4.772 4.340 0.002 0.000 0.284 286 L C 0.077 177.120 176.870 0.287 0.000 1.028 286 L CA -0.464 54.513 54.840 0.228 0.000 0.835 286 L CB 0.994 43.199 42.059 0.245 0.000 1.215 286 L HN 0.665 nan 8.230 nan 0.000 0.425 287 T N -1.034 113.609 114.554 0.149 0.000 2.930 287 T HA 0.379 4.730 4.350 0.002 0.000 0.290 287 T C 0.363 175.149 174.700 0.143 0.000 1.052 287 T CA -0.714 61.501 62.100 0.191 0.000 1.017 287 T CB 1.687 70.609 68.868 0.090 0.000 1.137 287 T HN 0.573 nan 8.240 nan 0.000 0.511 288 N N 0.379 119.183 118.700 0.173 0.000 2.725 288 N HA -0.126 4.615 4.740 0.002 0.000 0.251 288 N C -0.674 174.860 175.510 0.039 0.000 1.031 288 N CA 0.126 53.273 53.050 0.161 0.000 0.720 288 N CB -1.263 37.386 38.487 0.269 0.000 0.930 288 N HN 0.609 nan 8.380 nan 0.000 0.543 289 L N 0.735 121.832 121.223 -0.209 0.000 2.640 289 L HA -0.067 4.274 4.340 0.002 0.000 0.280 289 L C 0.607 177.392 176.870 -0.142 0.000 1.229 289 L CA 1.197 55.801 54.840 -0.394 0.000 0.919 289 L CB 0.355 41.782 42.059 -1.053 0.000 1.168 289 L HN 0.136 nan 8.230 nan 0.000 0.496 290 S N 2.717 118.397 115.700 -0.032 0.000 2.672 290 S HA 0.388 4.859 4.470 0.002 0.000 0.291 290 S C -1.046 173.691 174.600 0.228 0.000 1.145 290 S CA -0.792 57.525 58.200 0.196 0.000 1.013 290 S CB 0.607 63.965 63.200 0.264 0.000 1.017 290 S HN 0.413 nan 8.310 nan 0.000 0.487 291 W N 2.917 124.353 121.300 0.227 0.000 2.261 291 W HA 0.389 5.050 4.660 0.002 0.000 0.323 291 W C 1.004 177.615 176.519 0.152 0.000 1.243 291 W CA -0.208 57.227 57.345 0.151 0.000 1.210 291 W CB 0.719 30.249 29.460 0.117 0.000 1.149 291 W HN 0.684 nan 8.180 nan 0.000 0.562 292 S N 2.750 118.644 115.700 0.324 0.000 2.560 292 S HA 0.085 4.556 4.470 0.002 0.000 0.284 292 S C -1.824 172.735 174.600 -0.069 0.000 1.327 292 S CA -0.893 57.307 58.200 -0.000 0.000 1.055 292 S CB 1.137 64.363 63.200 0.044 0.000 0.868 292 S HN 0.299 nan 8.310 nan 0.000 0.506 293 P HA -0.138 nan 4.420 nan 0.000 0.217 293 P C 0.856 178.130 177.300 -0.043 0.000 1.148 293 P CA 1.438 64.460 63.100 -0.129 0.000 0.828 293 P CB -0.085 31.517 31.700 -0.165 0.000 0.783 294 D N -0.873 119.505 120.400 -0.036 0.000 2.349 294 D HA -0.097 4.544 4.640 0.002 0.000 0.224 294 D C 0.475 176.802 176.300 0.045 0.000 1.029 294 D CA 0.259 54.264 54.000 0.008 0.000 0.879 294 D CB -0.841 39.968 40.800 0.014 0.000 0.906 294 D HN 0.181 nan 8.370 nan 0.000 0.528 295 E N -1.425 118.836 120.200 0.101 0.000 3.801 295 E HA -0.230 4.121 4.350 0.002 0.000 0.319 295 E C 0.568 177.338 176.600 0.283 0.000 0.784 295 E CA 0.729 57.245 56.400 0.194 0.000 1.183 295 E CB -1.581 28.114 29.700 -0.009 0.000 1.601 295 E HN 0.280 nan 8.360 nan 0.000 0.441 296 N N 0.051 118.849 118.700 0.163 0.000 2.376 296 N HA 0.032 4.773 4.740 0.002 0.000 0.177 296 N C 0.457 175.997 175.510 0.050 0.000 1.024 296 N CA 0.882 53.999 53.050 0.110 0.000 0.893 296 N CB 0.431 38.947 38.487 0.049 0.000 0.980 296 N HN 0.190 nan 8.380 nan 0.000 0.439 297 I N 1.159 121.718 120.570 -0.018 0.000 2.608 297 I HA 0.276 4.447 4.170 0.002 0.000 0.295 297 I C -0.677 175.191 176.117 -0.415 0.000 1.049 297 I CA -0.956 60.180 61.300 -0.273 0.000 1.063 297 I CB 2.184 39.892 38.000 -0.487 0.000 1.248 297 I HN -0.175 nan 8.210 nan 0.000 0.424 298 L N 7.194 128.075 121.223 -0.569 0.000 2.319 298 L HA 0.488 4.829 4.340 0.002 0.000 0.281 298 L C -1.259 175.313 176.870 -0.496 0.000 1.005 298 L CA -0.269 54.142 54.840 -0.717 0.000 0.828 298 L CB 0.946 42.416 42.059 -0.981 0.000 1.227 298 L HN 0.282 nan 8.230 nan 0.000 0.415 299 Y N 3.914 124.092 120.300 -0.203 0.000 2.310 299 Y HA 0.658 5.210 4.550 0.002 0.000 0.326 299 Y C 0.061 175.876 175.900 -0.142 0.000 1.151 299 Y CA -0.451 57.566 58.100 -0.137 0.000 1.195 299 Y CB 1.639 40.002 38.460 -0.162 0.000 1.210 299 Y HN 0.323 nan 8.280 nan 0.000 0.483 300 V N 1.954 121.914 119.914 0.076 0.000 2.760 300 V HA 0.671 4.793 4.120 0.002 0.000 0.309 300 V C -0.686 175.410 176.094 0.004 0.000 1.077 300 V CA -1.248 61.064 62.300 0.021 0.000 0.910 300 V CB 1.828 33.664 31.823 0.021 0.000 1.008 300 V HN 0.847 nan 8.190 nan 0.000 0.424 301 A N 3.506 126.334 122.820 0.013 0.000 2.260 301 A HA 0.700 5.021 4.320 0.002 0.000 0.312 301 A C -0.106 177.473 177.584 -0.008 0.000 1.321 301 A CA -0.407 51.626 52.037 -0.008 0.000 0.928 301 A CB 0.119 19.229 19.000 0.183 0.000 1.158 301 A HN 0.851 nan 8.150 nan 0.000 0.542 302 E N 1.503 121.679 120.200 -0.040 0.000 2.175 302 E HA 0.511 4.862 4.350 0.002 0.000 0.278 302 E C -1.104 175.451 176.600 -0.074 0.000 0.969 302 E CA -0.628 55.743 56.400 -0.048 0.000 0.796 302 E CB 2.190 31.875 29.700 -0.026 0.000 1.104 302 E HN 0.377 nan 8.360 nan 0.000 0.395 303 V N 3.674 123.526 119.914 -0.103 0.000 2.540 303 V HA 0.175 4.296 4.120 0.002 0.000 0.302 303 V C 0.011 176.059 176.094 -0.078 0.000 1.035 303 V CA -1.135 61.127 62.300 -0.062 0.000 0.873 303 V CB 1.659 33.400 31.823 -0.136 0.000 0.992 303 V HN 0.712 nan 8.190 nan 0.000 0.428 304 N N 3.900 122.565 118.700 -0.058 0.000 2.381 304 N HA 0.134 4.875 4.740 0.002 0.000 0.254 304 N C 0.875 176.316 175.510 -0.115 0.000 1.264 304 N CA -0.622 52.349 53.050 -0.131 0.000 0.942 304 N CB 0.628 39.071 38.487 -0.074 0.000 1.190 304 N HN 0.534 nan 8.380 nan 0.000 0.495 305 R N 0.397 120.776 120.500 -0.202 0.000 2.105 305 R HA -0.016 4.325 4.340 0.002 0.000 0.239 305 R C 1.778 178.137 176.300 0.100 0.000 1.135 305 R CA 1.888 57.917 56.100 -0.120 0.000 0.967 305 R CB -1.087 29.126 30.300 -0.144 0.000 0.861 305 R HN 0.750 nan 8.270 nan 0.000 0.442 306 A N 0.147 123.008 122.820 0.068 0.000 2.125 306 A HA -0.119 4.202 4.320 0.002 0.000 0.219 306 A C 0.550 178.230 177.584 0.159 0.000 1.156 306 A CA 1.185 53.288 52.037 0.110 0.000 0.671 306 A CB -0.287 18.757 19.000 0.073 0.000 0.794 306 A HN 0.608 nan 8.150 nan 0.000 0.459 307 Q N -1.797 118.114 119.800 0.185 0.000 2.481 307 Q HA -0.241 4.100 4.340 0.002 0.000 0.272 307 Q C -0.006 176.098 176.000 0.172 0.000 1.157 307 Q CA 0.723 56.657 55.803 0.218 0.000 0.935 307 Q CB -1.751 27.136 28.738 0.249 0.000 1.338 307 Q HN 1.012 nan 8.270 nan 0.000 0.494 308 N N -0.168 118.602 118.700 0.117 0.000 2.170 308 N HA 0.110 4.851 4.740 0.002 0.000 0.222 308 N C -0.415 175.129 175.510 0.056 0.000 1.218 308 N CA -0.028 53.070 53.050 0.080 0.000 0.889 308 N CB 0.810 39.329 38.487 0.053 0.000 1.083 308 N HN 0.399 nan 8.380 nan 0.000 0.520 309 E N 0.057 120.292 120.200 0.058 0.000 2.304 309 E HA 0.372 4.723 4.350 0.002 0.000 0.277 309 E C -1.830 174.790 176.600 0.034 0.000 0.898 309 E CA -0.845 55.576 56.400 0.036 0.000 0.764 309 E CB 1.971 31.675 29.700 0.006 0.000 1.216 309 E HN 0.176 nan 8.360 nan 0.000 0.419 310 C N 5.693 125.016 119.300 0.038 0.000 2.346 310 C HA 0.543 5.004 4.460 0.002 0.000 0.326 310 C C -0.943 174.006 174.990 -0.068 0.000 1.224 310 C CA -0.528 58.501 59.018 0.019 0.000 1.408 310 C CB -0.110 27.700 27.740 0.116 0.000 2.089 310 C HN 0.654 nan 8.230 nan 0.000 0.456 311 K N 4.985 125.313 120.400 -0.119 0.000 2.240 311 K HA 0.526 4.847 4.320 0.002 0.000 0.271 311 K C -0.777 175.638 176.600 -0.309 0.000 1.018 311 K CA -0.470 55.694 56.287 -0.204 0.000 0.874 311 K CB 1.887 34.316 32.500 -0.119 0.000 1.098 311 K HN 0.542 nan 8.250 nan 0.000 0.458 312 V N 4.379 123.919 119.914 -0.623 0.000 2.368 312 V HA 0.141 4.262 4.120 0.002 0.000 0.266 312 V C -0.219 175.642 176.094 -0.388 0.000 1.045 312 V CA -0.628 61.256 62.300 -0.693 0.000 0.899 312 V CB 0.468 31.419 31.823 -1.453 0.000 1.006 312 V HN 0.689 nan 8.190 nan 0.000 0.470 313 N N 3.110 121.723 118.700 -0.145 0.000 2.319 313 N HA 0.758 5.499 4.740 0.002 0.000 0.305 313 N C -0.387 175.066 175.510 -0.096 0.000 1.103 313 N CA -0.374 52.629 53.050 -0.077 0.000 0.815 313 N CB 2.236 40.759 38.487 0.061 0.000 1.288 313 N HN 0.715 nan 8.380 nan 0.000 0.493 314 A N 1.591 124.220 122.820 -0.318 0.000 2.304 314 A HA 0.676 4.997 4.320 0.002 0.000 0.323 314 A C -1.355 175.829 177.584 -0.667 0.000 1.195 314 A CA -0.358 51.411 52.037 -0.448 0.000 0.826 314 A CB 0.257 19.032 19.000 -0.375 0.000 1.184 314 A HN 0.612 nan 8.150 nan 0.000 0.496 315 Y N 0.226 120.305 120.300 -0.369 0.000 2.485 315 Y HA 0.367 4.918 4.550 0.002 0.000 0.345 315 Y C 0.113 175.849 175.900 -0.273 0.000 0.998 315 Y CA -0.528 57.413 58.100 -0.266 0.000 1.059 315 Y CB 1.875 40.215 38.460 -0.200 0.000 1.234 315 Y HN 0.833 nan 8.280 nan 0.000 0.461 316 D N 1.459 121.837 120.400 -0.037 0.000 2.358 316 D HA 0.304 4.945 4.640 0.002 0.000 0.258 316 D C 0.710 177.009 176.300 -0.002 0.000 1.223 316 D CA 0.341 54.315 54.000 -0.044 0.000 0.886 316 D CB 1.244 42.029 40.800 -0.025 0.000 1.120 316 D HN 0.693 nan 8.370 nan 0.000 0.482 317 A N 3.737 126.562 122.820 0.009 0.000 2.015 317 A HA -0.151 4.170 4.320 0.002 0.000 0.219 317 A C 1.913 179.643 177.584 0.244 0.000 1.163 317 A CA 1.274 53.365 52.037 0.090 0.000 0.646 317 A CB -0.383 18.770 19.000 0.255 0.000 0.806 317 A HN 0.682 nan 8.150 nan 0.000 0.448 318 E N -0.149 120.147 120.200 0.160 0.000 2.076 318 E HA -0.098 4.253 4.350 0.002 0.000 0.190 318 E C 1.989 178.603 176.600 0.024 0.000 0.979 318 E CA 2.024 58.461 56.400 0.061 0.000 0.807 318 E CB -0.164 29.530 29.700 -0.010 0.000 0.761 318 E HN 0.600 nan 8.360 nan 0.000 0.454 319 T N -4.772 109.804 114.554 0.036 0.000 2.971 319 T HA 0.367 4.718 4.350 0.002 0.000 0.252 319 T C 1.563 176.295 174.700 0.054 0.000 1.022 319 T CA 0.528 62.646 62.100 0.031 0.000 0.980 319 T CB 0.630 69.511 68.868 0.022 0.000 1.044 319 T HN 0.314 nan 8.240 nan 0.000 0.501 320 G N 1.989 110.825 108.800 0.060 0.000 2.217 320 G HA2 -0.254 3.707 3.960 0.002 0.000 0.246 320 G HA3 -0.254 3.707 3.960 0.002 0.000 0.246 320 G C 0.235 175.232 174.900 0.163 0.000 0.990 320 G CA -0.134 45.005 45.100 0.065 0.000 0.627 320 G HN 0.701 nan 8.290 nan 0.000 0.522 321 R N -0.194 120.387 120.500 0.136 0.000 2.623 321 R HA 0.411 4.752 4.340 0.002 0.000 0.271 321 R C 0.449 176.866 176.300 0.194 0.000 1.043 321 R CA -0.363 55.836 56.100 0.164 0.000 1.083 321 R CB 0.337 30.683 30.300 0.078 0.000 0.974 321 R HN 0.265 nan 8.270 nan 0.000 0.436 322 F N 2.757 122.732 119.950 0.041 0.000 2.578 322 F HA -0.006 4.522 4.527 0.002 0.000 0.376 322 F C 0.639 176.284 175.800 -0.259 0.000 1.085 322 F CA 0.065 57.889 58.000 -0.293 0.000 1.260 322 F CB 0.634 39.509 39.000 -0.207 0.000 1.095 322 F HN 0.185 nan 8.300 nan 0.000 0.573 323 V N 5.432 124.631 119.914 -1.190 0.000 2.599 323 V HA 0.236 4.357 4.120 0.002 0.000 0.237 323 V C 0.125 175.517 176.094 -1.169 0.000 1.081 323 V CA 0.984 62.762 62.300 -0.869 0.000 1.107 323 V CB -0.121 31.386 31.823 -0.527 0.000 0.808 323 V HN 0.850 nan 8.190 nan 0.000 0.486 324 R N -1.243 118.410 120.500 -1.412 0.000 2.709 324 R HA 0.394 4.735 4.340 0.002 0.000 0.270 324 R C -1.495 174.528 176.300 -0.460 0.000 1.038 324 R CA -0.565 55.036 56.100 -0.831 0.000 0.872 324 R CB 1.131 31.229 30.300 -0.336 0.000 1.259 324 R HN 0.001 nan 8.270 nan 0.000 0.473 325 T N 2.697 117.235 114.554 -0.025 0.000 2.743 325 T HA 0.221 4.572 4.350 0.002 0.000 0.293 325 T C 1.034 175.706 174.700 -0.047 0.000 0.945 325 T CA -0.483 61.625 62.100 0.013 0.000 1.030 325 T CB 0.976 69.898 68.868 0.089 0.000 0.912 325 T HN 0.394 nan 8.240 nan 0.000 0.483 326 L N 3.279 124.435 121.223 -0.112 0.000 2.007 326 L HA 0.265 4.606 4.340 0.002 0.000 0.205 326 L C 0.406 177.314 176.870 0.064 0.000 1.073 326 L CA 1.486 56.309 54.840 -0.028 0.000 0.744 326 L CB -0.299 41.739 42.059 -0.034 0.000 0.898 326 L HN 0.793 nan 8.230 nan 0.000 0.435 327 F N -4.205 115.641 119.950 -0.174 0.000 2.693 327 F HA 0.694 5.222 4.527 0.002 0.000 0.309 327 F C -1.172 174.533 175.800 -0.159 0.000 1.129 327 F CA -1.608 56.294 58.000 -0.163 0.000 0.948 327 F CB 0.876 39.737 39.000 -0.232 0.000 1.315 327 F HN -0.436 nan 8.300 nan 0.000 0.447 328 V N 1.450 121.416 119.914 0.087 0.000 2.540 328 V HA 0.492 4.613 4.120 0.002 0.000 0.302 328 V C -0.731 175.448 176.094 0.142 0.000 1.035 328 V CA -0.705 61.609 62.300 0.023 0.000 0.873 328 V CB 1.685 33.516 31.823 0.012 0.000 0.992 328 V HN 0.835 nan 8.190 nan 0.000 0.428 329 E N 2.220 122.499 120.200 0.130 0.000 2.207 329 E HA 0.743 5.094 4.350 0.002 0.000 0.270 329 E C -0.650 176.005 176.600 0.091 0.000 0.927 329 E CA -0.637 55.854 56.400 0.151 0.000 0.799 329 E CB 2.584 32.422 29.700 0.231 0.000 1.172 329 E HN 0.838 nan 8.360 nan 0.000 0.404 330 T N -1.026 113.567 114.554 0.065 0.000 2.865 330 T HA 0.627 4.978 4.350 0.002 0.000 0.294 330 T C -1.121 173.586 174.700 0.013 0.000 1.119 330 T CA -0.916 61.205 62.100 0.035 0.000 1.007 330 T CB 2.206 71.084 68.868 0.016 0.000 1.225 330 T HN 0.443 nan 8.240 nan 0.000 0.515 331 D N -1.288 119.102 120.400 -0.016 0.000 2.655 331 D HA 0.332 4.973 4.640 0.002 0.000 0.229 331 D C 0.721 176.947 176.300 -0.123 0.000 1.229 331 D CA -0.743 53.215 54.000 -0.070 0.000 0.807 331 D CB 2.259 43.008 40.800 -0.085 0.000 1.514 331 D HN 0.614 nan 8.370 nan 0.000 0.444 332 K N 0.552 120.825 120.400 -0.212 0.000 2.097 332 K HA -0.155 4.166 4.320 0.002 0.000 0.206 332 K C 0.628 176.950 176.600 -0.463 0.000 1.049 332 K CA 1.667 57.745 56.287 -0.349 0.000 0.933 332 K CB 0.038 32.225 32.500 -0.522 0.000 0.717 332 K HN 0.529 nan 8.250 nan 0.000 0.442 333 H N -2.686 116.210 119.070 -0.291 0.000 2.336 333 H HA 0.141 4.698 4.556 0.002 0.000 0.307 333 H C -0.453 174.624 175.328 -0.419 0.000 1.056 333 H CA 0.639 56.328 56.048 -0.598 0.000 1.471 333 H CB 0.543 29.806 29.762 -0.832 0.000 1.502 333 H HN 0.094 nan 8.280 nan 0.000 0.630 334 Y N -1.038 119.179 120.300 -0.139 0.000 2.558 334 Y HA 0.472 5.023 4.550 0.002 0.000 0.333 334 Y C -1.145 174.740 175.900 -0.025 0.000 1.125 334 Y CA -1.923 56.123 58.100 -0.090 0.000 1.039 334 Y CB 0.723 39.091 38.460 -0.152 0.000 1.331 334 Y HN -0.031 nan 8.280 nan 0.000 0.456 335 V N -0.730 119.304 119.914 0.200 0.000 2.716 335 V HA 0.738 4.859 4.120 0.002 0.000 0.304 335 V C -0.411 175.848 176.094 0.275 0.000 1.053 335 V CA -0.621 61.795 62.300 0.193 0.000 0.984 335 V CB 1.821 33.742 31.823 0.163 0.000 1.021 335 V HN 1.007 nan 8.190 nan 0.000 0.467 336 E N 3.810 124.170 120.200 0.267 0.000 2.908 336 E HA 0.418 4.769 4.350 0.002 0.000 0.291 336 E C -2.869 173.893 176.600 0.269 0.000 1.154 336 E CA -1.633 54.947 56.400 0.299 0.000 0.784 336 E CB 1.738 31.584 29.700 0.243 0.000 1.500 336 E HN 0.796 nan 8.360 nan 0.000 0.382 337 P HA 0.146 nan 4.420 nan 0.000 0.279 337 P C 0.073 177.469 177.300 0.159 0.000 1.239 337 P CA -0.204 63.017 63.100 0.202 0.000 0.789 337 P CB 1.477 33.379 31.700 0.338 0.000 0.933 338 L N 1.354 122.550 121.223 -0.044 0.000 2.993 338 L HA 0.250 4.591 4.340 0.002 0.000 0.264 338 L C 0.128 176.665 176.870 -0.554 0.000 1.154 338 L CA 0.048 54.737 54.840 -0.252 0.000 0.972 338 L CB 0.082 41.945 42.059 -0.328 0.000 1.373 338 L HN 0.468 nan 8.230 nan 0.000 0.564 339 H N -0.731 118.350 119.070 0.018 0.000 2.851 339 H HA 0.401 4.958 4.556 0.002 0.000 0.372 339 H C -2.514 172.880 175.328 0.110 0.000 1.158 339 H CA -1.772 54.317 56.048 0.068 0.000 1.159 339 H CB 1.413 31.199 29.762 0.040 0.000 1.757 339 H HN -0.231 nan 8.280 nan 0.000 0.546 340 P HA 0.054 nan 4.420 nan 0.000 0.274 340 P C -0.621 176.933 177.300 0.424 0.000 1.256 340 P CA -0.625 62.696 63.100 0.368 0.000 0.795 340 P CB 1.042 32.955 31.700 0.355 0.000 1.038 341 L N 0.838 122.278 121.223 0.361 0.000 2.416 341 L HA 0.217 4.558 4.340 0.002 0.000 0.272 341 L C 0.999 178.053 176.870 0.307 0.000 1.161 341 L CA 1.251 56.218 54.840 0.212 0.000 0.845 341 L CB -0.458 41.320 42.059 -0.469 0.000 1.119 341 L HN 0.315 nan 8.230 nan 0.000 0.464 342 T N 3.925 118.723 114.554 0.406 0.000 2.809 342 T HA 0.447 4.798 4.350 0.002 0.000 0.296 342 T C -0.159 174.862 174.700 0.535 0.000 1.015 342 T CA -0.350 62.080 62.100 0.549 0.000 0.954 342 T CB -0.030 69.267 68.868 0.714 0.000 0.950 342 T HN 0.038 nan 8.240 nan 0.000 0.450 343 F N 2.605 122.823 119.950 0.447 0.000 2.518 343 F HA 0.239 4.767 4.527 0.002 0.000 0.359 343 F C 1.164 177.054 175.800 0.149 0.000 1.118 343 F CA -0.874 57.335 58.000 0.348 0.000 1.287 343 F CB 0.367 39.525 39.000 0.265 0.000 1.132 343 F HN 0.253 nan 8.300 nan 0.000 0.587 344 L N 4.567 125.859 121.223 0.115 0.000 2.529 344 L HA 0.036 4.377 4.340 0.002 0.000 0.287 344 L C -1.996 174.735 176.870 -0.232 0.000 1.241 344 L CA -1.564 53.062 54.840 -0.357 0.000 0.857 344 L CB -0.197 41.769 42.059 -0.156 0.000 1.113 344 L HN 0.320 nan 8.230 nan 0.000 0.504 345 P HA 0.043 nan 4.420 nan 0.000 0.264 345 P C 0.739 178.021 177.300 -0.030 0.000 1.193 345 P CA 0.613 63.638 63.100 -0.124 0.000 0.763 345 P CB 0.660 32.302 31.700 -0.097 0.000 0.810 346 G N 1.690 110.504 108.800 0.023 0.000 2.189 346 G HA2 -0.249 3.712 3.960 0.002 0.000 0.267 346 G HA3 -0.249 3.712 3.960 0.002 0.000 0.267 346 G C 0.361 175.295 174.900 0.057 0.000 0.975 346 G CA 0.383 45.504 45.100 0.036 0.000 0.644 346 G HN 0.791 nan 8.290 nan 0.000 0.537 347 S N -0.685 115.070 115.700 0.090 0.000 2.472 347 S HA 0.618 5.089 4.470 0.002 0.000 0.303 347 S C 0.633 175.363 174.600 0.217 0.000 1.099 347 S CA 0.103 58.393 58.200 0.149 0.000 1.077 347 S CB 1.446 64.746 63.200 0.168 0.000 1.031 347 S HN 0.353 nan 8.310 nan 0.000 0.487 348 N N 3.052 121.860 118.700 0.179 0.000 2.205 348 N HA 0.282 5.023 4.740 0.002 0.000 0.201 348 N C 0.385 176.106 175.510 0.352 0.000 1.128 348 N CA 0.104 53.232 53.050 0.130 0.000 0.867 348 N CB 0.234 38.752 38.487 0.051 0.000 0.996 348 N HN 0.540 nan 8.380 nan 0.000 0.503 349 N N -0.792 118.155 118.700 0.411 0.000 2.239 349 N HA 0.132 4.873 4.740 0.002 0.000 0.208 349 N C -0.716 174.985 175.510 0.319 0.000 1.200 349 N CA 0.180 53.448 53.050 0.363 0.000 0.895 349 N CB 0.832 39.440 38.487 0.201 0.000 1.085 349 N HN 0.285 nan 8.380 nan 0.000 0.500 350 Q N 0.247 120.228 119.800 0.301 0.000 2.375 350 Q HA 0.564 4.905 4.340 0.002 0.000 0.271 350 Q C -1.317 174.693 176.000 0.016 0.000 1.074 350 Q CA -0.853 54.986 55.803 0.060 0.000 0.808 350 Q CB 2.512 31.266 28.738 0.027 0.000 1.327 350 Q HN 0.117 nan 8.270 nan 0.000 0.441 351 F N -1.009 118.834 119.950 -0.178 0.000 2.654 351 F HA 0.617 5.145 4.527 0.002 0.000 0.308 351 F C -1.396 174.425 175.800 0.034 0.000 1.108 351 F CA -1.428 56.406 58.000 -0.276 0.000 0.957 351 F CB 0.879 39.314 39.000 -0.942 0.000 1.309 351 F HN 0.241 nan 8.300 nan 0.000 0.446 352 I N 2.840 123.646 120.570 0.392 0.000 2.396 352 I HA 0.143 4.314 4.170 0.002 0.000 0.292 352 I C -0.781 175.667 176.117 0.553 0.000 0.999 352 I CA -0.404 61.086 61.300 0.317 0.000 1.310 352 I CB 1.231 39.279 38.000 0.080 0.000 1.404 352 I HN 0.845 nan 8.210 nan 0.000 0.496 353 W N 7.120 128.606 121.300 0.311 0.000 2.739 353 W HA 0.355 5.016 4.660 0.002 0.000 0.331 353 W C -1.190 175.483 176.519 0.256 0.000 1.049 353 W CA -0.629 56.924 57.345 0.346 0.000 1.234 353 W CB 1.793 31.537 29.460 0.473 0.000 1.404 353 W HN 0.556 nan 8.180 nan 0.000 0.477 354 Q N 3.482 123.060 119.800 -0.370 0.000 2.261 354 Q HA 0.380 4.721 4.340 0.002 0.000 0.252 354 Q C -0.570 175.127 176.000 -0.506 0.000 0.915 354 Q CA 0.025 55.632 55.803 -0.327 0.000 0.915 354 Q CB 2.147 30.725 28.738 -0.267 0.000 1.204 354 Q HN 0.331 nan 8.270 nan 0.000 0.421 355 S N 1.038 116.696 115.700 -0.069 0.000 2.535 355 S HA 0.312 4.783 4.470 0.002 0.000 0.272 355 S C -0.625 174.047 174.600 0.120 0.000 1.149 355 S CA -0.691 57.502 58.200 -0.012 0.000 0.888 355 S CB 1.453 64.626 63.200 -0.044 0.000 1.110 355 S HN 0.730 nan 8.310 nan 0.000 0.463 356 R N 1.949 122.494 120.500 0.075 0.000 2.466 356 R HA 0.177 4.518 4.340 0.002 0.000 0.279 356 R C 2.026 178.361 176.300 0.059 0.000 0.976 356 R CA 0.049 56.185 56.100 0.060 0.000 1.081 356 R CB -0.004 30.307 30.300 0.019 0.000 1.215 356 R HN 0.744 nan 8.270 nan 0.000 0.546 357 R N 0.203 120.750 120.500 0.077 0.000 2.159 357 R HA -0.124 4.217 4.340 0.002 0.000 0.237 357 R C 0.655 177.001 176.300 0.077 0.000 1.131 357 R CA 1.881 58.012 56.100 0.051 0.000 0.982 357 R CB -0.308 29.994 30.300 0.005 0.000 0.868 357 R HN 0.118 nan 8.270 nan 0.000 0.453 358 D N -0.761 119.735 120.400 0.160 0.000 2.340 358 D HA 0.109 4.750 4.640 0.002 0.000 0.217 358 D C 1.060 177.482 176.300 0.205 0.000 1.081 358 D CA 0.485 54.596 54.000 0.184 0.000 0.842 358 D CB 0.607 41.544 40.800 0.229 0.000 0.934 358 D HN 0.451 nan 8.370 nan 0.000 0.511 359 G N -0.928 107.901 108.800 0.049 0.000 2.201 359 G HA2 -0.180 3.781 3.960 0.002 0.000 0.212 359 G HA3 -0.180 3.781 3.960 0.002 0.000 0.212 359 G C -0.501 173.969 174.900 -0.716 0.000 0.994 359 G CA -0.207 44.729 45.100 -0.273 0.000 0.644 359 G HN 0.202 nan 8.290 nan 0.000 0.508 360 W N 0.105 121.393 121.300 -0.020 0.000 3.274 360 W HA 0.617 5.278 4.660 0.002 0.000 0.327 360 W C -0.414 175.951 176.519 -0.256 0.000 1.172 360 W CA -1.292 55.969 57.345 -0.140 0.000 1.217 360 W CB 0.887 30.234 29.460 -0.189 0.000 1.376 360 W HN 0.154 nan 8.180 nan 0.000 0.507 361 N N 2.692 121.315 118.700 -0.128 0.000 2.431 361 N HA 0.142 4.883 4.740 0.002 0.000 0.265 361 N C -0.548 174.679 175.510 -0.472 0.000 1.184 361 N CA 0.763 53.714 53.050 -0.165 0.000 0.943 361 N CB 0.236 38.693 38.487 -0.051 0.000 1.080 361 N HN 0.379 nan 8.380 nan 0.000 0.477 362 H N 2.124 121.177 119.070 -0.028 0.000 2.941 362 H HA 0.452 5.009 4.556 0.002 0.000 0.344 362 H C -0.669 174.536 175.328 -0.204 0.000 1.235 362 H CA -0.628 55.284 56.048 -0.228 0.000 1.149 362 H CB 1.043 30.580 29.762 -0.375 0.000 1.885 362 H HN 0.301 nan 8.280 nan 0.000 0.558 363 L N 1.795 122.853 121.223 -0.274 0.000 2.296 363 L HA 0.349 4.690 4.340 0.002 0.000 0.286 363 L C -1.007 175.636 176.870 -0.378 0.000 1.023 363 L CA -0.620 54.036 54.840 -0.306 0.000 0.812 363 L CB 0.645 42.388 42.059 -0.527 0.000 1.223 363 L HN 0.334 nan 8.230 nan 0.000 0.421 364 Y N 2.911 123.160 120.300 -0.085 0.000 2.393 364 Y HA 0.485 5.036 4.550 0.002 0.000 0.341 364 Y C -0.355 175.481 175.900 -0.106 0.000 0.988 364 Y CA -0.792 57.252 58.100 -0.092 0.000 1.078 364 Y CB 2.107 40.595 38.460 0.046 0.000 1.203 364 Y HN 0.330 nan 8.280 nan 0.000 0.453 365 L N 4.391 125.518 121.223 -0.160 0.000 2.265 365 L HA 0.482 4.823 4.340 0.002 0.000 0.289 365 L C -1.731 174.866 176.870 -0.455 0.000 1.033 365 L CA -0.633 54.074 54.840 -0.221 0.000 0.814 365 L CB -0.303 41.646 42.059 -0.184 0.000 1.203 365 L HN 0.525 nan 8.230 nan 0.000 0.423 366 Y N 2.229 122.175 120.300 -0.590 0.000 2.549 366 Y HA 0.482 5.033 4.550 0.002 0.000 0.339 366 Y C -0.043 175.408 175.900 -0.748 0.000 1.053 366 Y CA -0.678 56.969 58.100 -0.754 0.000 1.105 366 Y CB 1.621 39.364 38.460 -1.194 0.000 1.258 366 Y HN 0.734 nan 8.280 nan 0.000 0.478 367 D N -1.925 118.335 120.400 -0.233 0.000 2.385 367 D HA 0.154 4.795 4.640 0.002 0.000 0.254 367 D C 0.679 177.029 176.300 0.083 0.000 1.053 367 D CA -0.579 53.364 54.000 -0.095 0.000 0.992 367 D CB 0.947 41.745 40.800 -0.004 0.000 1.145 367 D HN 0.535 nan 8.370 nan 0.000 0.523 368 T N -3.720 110.989 114.554 0.257 0.000 3.160 368 T HA -0.040 4.311 4.350 0.002 0.000 0.257 368 T C 1.444 176.310 174.700 0.277 0.000 1.147 368 T CA 0.955 63.296 62.100 0.402 0.000 1.064 368 T CB -0.972 68.186 68.868 0.483 0.000 0.949 368 T HN 0.577 nan 8.240 nan 0.000 0.526 369 T N -2.358 112.309 114.554 0.189 0.000 3.054 369 T HA 0.452 4.803 4.350 0.002 0.000 0.259 369 T C 1.872 176.660 174.700 0.148 0.000 1.092 369 T CA 0.637 62.818 62.100 0.136 0.000 1.121 369 T CB -0.222 68.702 68.868 0.092 0.000 0.912 369 T HN 0.782 nan 8.240 nan 0.000 0.489 370 G N 1.235 110.156 108.800 0.203 0.000 2.227 370 G HA2 -0.152 3.809 3.960 0.002 0.000 0.168 370 G HA3 -0.152 3.809 3.960 0.002 0.000 0.168 370 G C 0.057 175.145 174.900 0.314 0.000 1.006 370 G CA -0.228 45.038 45.100 0.276 0.000 0.684 370 G HN 0.757 nan 8.290 nan 0.000 0.489 371 R N 0.571 121.182 120.500 0.185 0.000 2.442 371 R HA 0.518 4.859 4.340 0.002 0.000 0.291 371 R C 0.020 176.293 176.300 -0.046 0.000 1.069 371 R CA -0.595 55.552 56.100 0.079 0.000 1.022 371 R CB 0.377 30.687 30.300 0.017 0.000 0.976 371 R HN 0.281 nan 8.270 nan 0.000 0.443 372 L N 6.685 127.766 121.223 -0.237 0.000 2.315 372 L HA 0.187 4.528 4.340 0.002 0.000 0.283 372 L C 0.656 177.279 176.870 -0.413 0.000 1.089 372 L CA 0.353 54.771 54.840 -0.704 0.000 0.833 372 L CB 0.797 42.474 42.059 -0.637 0.000 1.170 372 L HN 0.820 nan 8.230 nan 0.000 0.442 373 I N 3.559 123.875 120.570 -0.424 0.000 2.277 373 I HA 0.048 4.219 4.170 0.002 0.000 0.243 373 I C 0.897 176.878 176.117 -0.227 0.000 1.094 373 I CA 0.532 61.679 61.300 -0.255 0.000 1.393 373 I CB -0.080 37.794 38.000 -0.210 0.000 1.078 373 I HN 0.674 nan 8.210 nan 0.000 0.417 374 R N 0.866 121.204 120.500 -0.269 0.000 2.736 374 R HA 0.119 4.460 4.340 0.002 0.000 0.250 374 R C -1.102 175.032 176.300 -0.277 0.000 1.098 374 R CA -0.582 55.382 56.100 -0.226 0.000 0.978 374 R CB 0.988 31.175 30.300 -0.187 0.000 1.263 374 R HN 0.037 nan 8.270 nan 0.000 0.460 375 Q N 3.433 123.050 119.800 -0.305 0.000 2.262 375 Q HA 0.120 4.461 4.340 0.002 0.000 0.272 375 Q C -0.051 175.656 176.000 -0.488 0.000 1.076 375 Q CA -0.121 55.321 55.803 -0.602 0.000 0.905 375 Q CB 1.312 29.678 28.738 -0.620 0.000 1.182 375 Q HN 0.585 nan 8.270 nan 0.000 0.390 376 V N 2.919 122.539 119.914 -0.491 0.000 2.379 376 V HA -0.048 4.073 4.120 0.002 0.000 0.243 376 V C 1.053 176.932 176.094 -0.359 0.000 1.035 376 V CA 1.731 63.826 62.300 -0.342 0.000 1.035 376 V CB 0.030 31.692 31.823 -0.268 0.000 0.673 376 V HN 0.943 nan 8.190 nan 0.000 0.457 377 T N 0.465 114.730 114.554 -0.483 0.000 2.895 377 T HA 0.665 5.016 4.350 0.002 0.000 0.283 377 T C -0.682 173.448 174.700 -0.950 0.000 1.014 377 T CA -0.709 61.105 62.100 -0.476 0.000 1.037 377 T CB 1.999 70.655 68.868 -0.352 0.000 1.006 377 T HN 0.592 nan 8.240 nan 0.000 0.468 378 K N 0.323 120.137 120.400 -0.977 0.000 2.575 378 K HA 0.775 5.096 4.320 0.002 0.000 0.279 378 K C -0.522 175.488 176.600 -0.984 0.000 0.969 378 K CA -1.025 54.468 56.287 -1.322 0.000 0.868 378 K CB 1.528 33.580 32.500 -0.747 0.000 1.457 378 K HN 1.378 nan 8.250 nan 0.000 0.426 379 G N 0.770 109.010 108.800 -0.934 0.000 2.339 379 G HA2 0.022 3.983 3.960 0.002 0.000 0.381 379 G HA3 0.022 3.983 3.960 0.002 0.000 0.381 379 G C -1.575 172.668 174.900 -1.095 0.000 1.400 379 G CA -0.982 43.628 45.100 -0.816 0.000 1.002 379 G HN 0.546 nan 8.290 nan 0.000 0.633 380 E N 1.399 121.020 120.200 -0.965 0.000 2.122 380 E HA 0.303 4.654 4.350 0.002 0.000 0.288 380 E C 0.006 175.941 176.600 -1.109 0.000 1.260 380 E CA -0.294 55.056 56.400 -1.751 0.000 1.344 380 E CB 0.151 29.208 29.700 -1.071 0.000 1.337 380 E HN 0.485 nan 8.360 nan 0.000 0.484 381 W N 0.180 121.073 121.300 -0.678 0.000 2.926 381 W HA 0.406 5.067 4.660 0.002 0.000 0.361 381 W C -1.200 175.364 176.519 0.076 0.000 1.195 381 W CA -0.795 56.497 57.345 -0.089 0.000 1.177 381 W CB 0.519 29.915 29.460 -0.107 0.000 1.453 381 W HN -0.137 nan 8.180 nan 0.000 0.571 382 E N 1.122 121.616 120.200 0.490 0.000 2.272 382 E HA 0.413 4.764 4.350 0.002 0.000 0.269 382 E C -0.954 175.829 176.600 0.305 0.000 0.877 382 E CA -1.155 55.351 56.400 0.176 0.000 0.755 382 E CB 3.427 33.239 29.700 0.187 0.000 1.192 382 E HN 0.175 nan 8.360 nan 0.000 0.422 383 V N 2.389 122.362 119.914 0.099 0.000 2.521 383 V HA -0.002 4.119 4.120 0.002 0.000 0.286 383 V C 1.279 177.489 176.094 0.194 0.000 1.034 383 V CA 0.823 63.249 62.300 0.210 0.000 1.045 383 V CB 0.750 32.549 31.823 -0.040 0.000 0.974 383 V HN 0.946 nan 8.190 nan 0.000 0.480 384 T N 0.262 114.986 114.554 0.283 0.000 2.985 384 T HA 0.191 4.542 4.350 0.002 0.000 0.254 384 T C 0.506 175.357 174.700 0.251 0.000 1.021 384 T CA -0.083 62.166 62.100 0.248 0.000 0.957 384 T CB 0.073 69.094 68.868 0.254 0.000 1.047 384 T HN 0.580 nan 8.240 nan 0.000 0.511 385 N N 0.027 118.905 118.700 0.297 0.000 2.537 385 N HA 0.257 4.998 4.740 0.002 0.000 0.281 385 N C -2.075 173.668 175.510 0.388 0.000 1.097 385 N CA -0.443 52.783 53.050 0.294 0.000 0.964 385 N CB 1.827 40.495 38.487 0.302 0.000 1.588 385 N HN 0.103 nan 8.380 nan 0.000 0.511 386 F N 3.873 123.894 119.950 0.118 0.000 2.421 386 F HA 0.547 5.075 4.527 0.002 0.000 0.358 386 F C 0.704 176.611 175.800 0.177 0.000 1.115 386 F CA -0.555 57.520 58.000 0.126 0.000 1.160 386 F CB 0.925 39.918 39.000 -0.012 0.000 1.123 386 F HN 0.616 nan 8.300 nan 0.000 0.508 387 A N 4.091 126.903 122.820 -0.014 0.000 2.095 387 A HA 0.613 4.934 4.320 0.002 0.000 0.212 387 A C 1.165 178.548 177.584 -0.335 0.000 1.162 387 A CA 0.796 52.815 52.037 -0.030 0.000 0.753 387 A CB -0.790 18.451 19.000 0.402 0.000 0.840 387 A HN 1.460 nan 8.150 nan 0.000 0.468 388 G N -1.965 106.324 108.800 -0.853 0.000 2.250 388 G HA2 0.269 4.230 3.960 0.002 0.000 0.252 388 G HA3 0.269 4.230 3.960 0.002 0.000 0.252 388 G C -0.887 173.777 174.900 -0.395 0.000 1.325 388 G CA -0.568 44.058 45.100 -0.790 0.000 1.091 388 G HN 0.380 nan 8.290 nan 0.000 0.476 389 F N 1.401 121.486 119.950 0.224 0.000 2.611 389 F HA 0.565 5.093 4.527 0.002 0.000 0.324 389 F C 0.293 176.324 175.800 0.384 0.000 1.061 389 F CA -0.252 57.943 58.000 0.325 0.000 0.954 389 F CB 1.637 40.784 39.000 0.244 0.000 1.301 389 F HN 0.668 nan 8.300 nan 0.000 0.482 390 D N 0.618 121.379 120.400 0.601 0.000 2.357 390 D HA 0.143 4.784 4.640 0.002 0.000 0.242 390 D C -2.204 174.264 176.300 0.281 0.000 1.153 390 D CA -1.927 52.331 54.000 0.430 0.000 0.918 390 D CB 0.355 41.362 40.800 0.346 0.000 1.181 390 D HN 0.125 nan 8.370 nan 0.000 0.435 391 P HA -0.153 nan 4.420 nan 0.000 0.217 391 P C 0.893 178.250 177.300 0.096 0.000 1.148 391 P CA 1.723 64.893 63.100 0.117 0.000 0.828 391 P CB 0.135 31.882 31.700 0.077 0.000 0.783 392 K N -2.199 118.262 120.400 0.102 0.000 2.418 392 K HA 0.176 4.497 4.320 0.002 0.000 0.195 392 K C 1.108 177.747 176.600 0.065 0.000 1.035 392 K CA 0.649 56.980 56.287 0.072 0.000 1.003 392 K CB -0.335 32.207 32.500 0.069 0.000 0.793 392 K HN 0.109 nan 8.250 nan 0.000 0.494 393 G N 2.100 110.965 108.800 0.108 0.000 2.198 393 G HA2 -0.272 3.689 3.960 0.002 0.000 0.257 393 G HA3 -0.272 3.689 3.960 0.002 0.000 0.257 393 G C 0.633 175.621 174.900 0.147 0.000 1.042 393 G CA 0.824 45.987 45.100 0.106 0.000 0.791 393 G HN 0.427 nan 8.290 nan 0.000 0.502 394 T N -3.656 110.986 114.554 0.145 0.000 3.022 394 T HA 0.472 4.823 4.350 0.002 0.000 0.250 394 T C 0.957 175.714 174.700 0.094 0.000 1.060 394 T CA 0.468 62.629 62.100 0.102 0.000 1.013 394 T CB 0.729 69.637 68.868 0.067 0.000 0.982 394 T HN 0.503 nan 8.240 nan 0.000 0.508 395 R N 0.158 120.729 120.500 0.118 0.000 2.750 395 R HA 0.716 5.058 4.340 0.002 0.000 0.281 395 R C -1.251 175.067 176.300 0.030 0.000 0.972 395 R CA -0.751 55.346 56.100 -0.006 0.000 0.912 395 R CB 2.026 32.220 30.300 -0.176 0.000 1.187 395 R HN 0.172 nan 8.270 nan 0.000 0.464 396 L N 2.928 124.132 121.223 -0.032 0.000 2.309 396 L HA 0.495 4.836 4.340 0.002 0.000 0.282 396 L C -0.945 175.865 176.870 -0.100 0.000 1.036 396 L CA -0.724 54.165 54.840 0.082 0.000 0.806 396 L CB 0.858 43.034 42.059 0.196 0.000 1.220 396 L HN 0.502 nan 8.230 nan 0.000 0.429 397 Y N 3.212 123.622 120.300 0.183 0.000 2.360 397 Y HA 0.651 5.202 4.550 0.002 0.000 0.337 397 Y C -0.108 175.834 175.900 0.070 0.000 1.039 397 Y CA -0.635 57.413 58.100 -0.086 0.000 1.109 397 Y CB 1.630 40.021 38.460 -0.114 0.000 1.201 397 Y HN 0.436 nan 8.280 nan 0.000 0.458 398 F N -1.106 118.692 119.950 -0.253 0.000 2.744 398 F HA 0.453 4.981 4.527 0.002 0.000 0.311 398 F C -1.467 174.360 175.800 0.044 0.000 1.144 398 F CA -1.360 56.665 58.000 0.041 0.000 0.938 398 F CB 1.346 40.477 39.000 0.218 0.000 1.292 398 F HN 0.394 nan 8.300 nan 0.000 0.444 399 E N 1.568 122.033 120.200 0.442 0.000 2.231 399 E HA 0.671 5.022 4.350 0.002 0.000 0.277 399 E C -1.001 175.924 176.600 0.542 0.000 0.999 399 E CA -0.363 56.309 56.400 0.453 0.000 0.827 399 E CB 1.730 31.699 29.700 0.448 0.000 1.101 399 E HN 0.936 nan 8.360 nan 0.000 0.393 400 S N 1.099 117.100 115.700 0.502 0.000 2.688 400 S HA 0.227 4.698 4.470 0.002 0.000 0.275 400 S C 0.182 174.976 174.600 0.323 0.000 1.175 400 S CA -0.133 58.326 58.200 0.430 0.000 0.818 400 S CB 1.147 64.591 63.200 0.407 0.000 1.157 400 S HN 0.526 nan 8.310 nan 0.000 0.482 401 T N -2.254 112.464 114.554 0.273 0.000 3.163 401 T HA 0.289 4.640 4.350 0.002 0.000 0.252 401 T C 1.053 175.765 174.700 0.019 0.000 1.056 401 T CA 0.505 62.720 62.100 0.192 0.000 0.947 401 T CB -0.272 68.736 68.868 0.234 0.000 1.016 401 T HN 0.709 nan 8.240 nan 0.000 0.554 402 E N 1.532 121.536 120.200 -0.327 0.000 2.058 402 E HA -0.177 4.174 4.350 0.002 0.000 0.194 402 E C 2.360 178.721 176.600 -0.399 0.000 0.997 402 E CA 1.377 57.287 56.400 -0.817 0.000 0.801 402 E CB -0.477 28.186 29.700 -1.729 0.000 0.746 402 E HN 0.662 nan 8.360 nan 0.000 0.450 403 A N 0.156 122.811 122.820 -0.274 0.000 1.883 403 A HA -0.087 4.234 4.320 0.002 0.000 0.217 403 A C 1.362 178.862 177.584 -0.140 0.000 1.186 403 A CA 1.520 53.390 52.037 -0.278 0.000 0.624 403 A CB -0.155 18.458 19.000 -0.645 0.000 0.822 403 A HN 0.265 nan 8.150 nan 0.000 0.444 404 S N -3.187 112.476 115.700 -0.062 0.000 2.580 404 S HA 0.427 4.899 4.470 0.002 0.000 0.281 404 S C -2.735 171.867 174.600 0.005 0.000 1.129 404 S CA -0.345 57.831 58.200 -0.040 0.000 0.862 404 S CB 1.571 64.737 63.200 -0.057 0.000 1.090 404 S HN -0.040 nan 8.310 nan 0.000 0.451 405 P HA 0.068 nan 4.420 nan 0.000 0.226 405 P C 1.095 178.382 177.300 -0.021 0.000 1.153 405 P CA 0.678 63.790 63.100 0.019 0.000 0.777 405 P CB -0.050 31.660 31.700 0.017 0.000 0.794 406 L N -1.256 119.906 121.223 -0.101 0.000 2.591 406 L HA 0.161 4.502 4.340 0.002 0.000 0.228 406 L C 1.024 177.890 176.870 -0.005 0.000 1.133 406 L CA 0.466 55.246 54.840 -0.100 0.000 0.880 406 L CB -0.276 41.654 42.059 -0.215 0.000 1.033 406 L HN 0.006 nan 8.230 nan 0.000 0.450 407 E N -0.124 120.116 120.200 0.067 0.000 2.410 407 E HA 0.549 4.900 4.350 0.002 0.000 0.269 407 E C -0.742 176.005 176.600 0.246 0.000 0.937 407 E CA -0.978 55.523 56.400 0.169 0.000 0.793 407 E CB 2.047 31.920 29.700 0.287 0.000 1.314 407 E HN -0.076 nan 8.360 nan 0.000 0.447 408 R N 1.477 122.154 120.500 0.294 0.000 2.514 408 R HA 0.437 4.778 4.340 0.002 0.000 0.296 408 R C -0.911 175.602 176.300 0.354 0.000 1.012 408 R CA -0.472 55.822 56.100 0.325 0.000 0.897 408 R CB 1.213 31.651 30.300 0.230 0.000 1.184 408 R HN 0.615 nan 8.270 nan 0.000 0.440 409 H N 1.173 120.358 119.070 0.190 0.000 2.731 409 H HA 0.394 4.951 4.556 0.002 0.000 0.368 409 H C -0.850 174.417 175.328 -0.101 0.000 1.168 409 H CA -0.745 55.264 56.048 -0.065 0.000 1.181 409 H CB 2.692 32.224 29.762 -0.383 0.000 1.743 409 H HN 0.277 nan 8.280 nan 0.000 0.547 410 F N 1.950 121.686 119.950 -0.357 0.000 2.408 410 F HA 0.293 4.821 4.527 0.002 0.000 0.344 410 F C -1.161 174.278 175.800 -0.601 0.000 1.112 410 F CA -0.427 57.397 58.000 -0.293 0.000 1.096 410 F CB 0.353 39.252 39.000 -0.170 0.000 1.129 410 F HN 0.348 nan 8.300 nan 0.000 0.486 411 Y N 3.400 123.195 120.300 -0.841 0.000 2.602 411 Y HA 0.559 5.110 4.550 0.002 0.000 0.342 411 Y C -0.407 174.976 175.900 -0.862 0.000 1.029 411 Y CA -0.995 56.603 58.100 -0.836 0.000 1.080 411 Y CB 1.570 39.396 38.460 -1.057 0.000 1.284 411 Y HN 0.640 nan 8.280 nan 0.000 0.485 412 C N 3.127 122.235 119.300 -0.320 0.000 2.456 412 C HA 0.843 5.304 4.460 0.002 0.000 0.325 412 C C -0.648 174.263 174.990 -0.132 0.000 1.217 412 C CA -0.761 58.059 59.018 -0.329 0.000 1.687 412 C CB -0.127 27.482 27.740 -0.218 0.000 2.270 412 C HN 0.797 nan 8.230 nan 0.000 0.499 413 I N 3.602 124.138 120.570 -0.056 0.000 2.827 413 I HA 0.331 4.502 4.170 0.002 0.000 0.298 413 I C -0.740 175.371 176.117 -0.011 0.000 1.235 413 I CA -0.269 61.062 61.300 0.050 0.000 1.021 413 I CB 1.716 39.850 38.000 0.224 0.000 1.259 413 I HN 0.660 nan 8.210 nan 0.000 0.427 414 D N 4.954 125.348 120.400 -0.010 0.000 2.424 414 D HA 0.030 4.671 4.640 0.002 0.000 0.244 414 D C 1.095 177.393 176.300 -0.003 0.000 1.134 414 D CA 0.250 54.243 54.000 -0.010 0.000 0.881 414 D CB 1.389 42.182 40.800 -0.012 0.000 1.191 414 D HN 0.580 nan 8.370 nan 0.000 0.445 415 I N 3.791 124.371 120.570 0.017 0.000 2.530 415 I HA -0.261 3.910 4.170 0.002 0.000 0.257 415 I C 1.823 177.925 176.117 -0.026 0.000 1.179 415 I CA 1.469 62.781 61.300 0.019 0.000 1.440 415 I CB 0.141 38.181 38.000 0.068 0.000 1.087 415 I HN 0.347 nan 8.210 nan 0.000 0.440 416 K N 0.759 121.142 120.400 -0.028 0.000 2.486 416 K HA 0.282 4.603 4.320 0.002 0.000 0.194 416 K C 1.045 177.605 176.600 -0.067 0.000 1.033 416 K CA 0.504 56.763 56.287 -0.048 0.000 1.004 416 K CB -0.216 32.263 32.500 -0.036 0.000 0.798 416 K HN 0.527 nan 8.250 nan 0.000 0.495 417 G N 0.163 108.924 108.800 -0.065 0.000 2.508 417 G HA2 0.037 3.998 3.960 0.002 0.000 0.220 417 G HA3 0.037 3.998 3.960 0.002 0.000 0.220 417 G C 0.399 175.268 174.900 -0.052 0.000 1.287 417 G CA -0.517 44.535 45.100 -0.080 0.000 0.916 417 G HN 0.654 nan 8.290 nan 0.000 0.574 418 G N -0.611 108.154 108.800 -0.059 0.000 2.498 418 G HA2 -0.049 3.912 3.960 0.002 0.000 0.251 418 G HA3 -0.049 3.912 3.960 0.002 0.000 0.251 418 G C 0.212 175.106 174.900 -0.010 0.000 1.170 418 G CA 1.026 46.104 45.100 -0.037 0.000 0.944 418 G HN 1.383 nan 8.290 nan 0.000 0.567 419 K N 1.812 122.209 120.400 -0.005 0.000 2.249 419 K HA 0.529 4.850 4.320 0.002 0.000 0.280 419 K C 0.720 177.329 176.600 0.015 0.000 1.033 419 K CA 0.421 56.710 56.287 0.003 0.000 0.946 419 K CB 0.898 33.394 32.500 -0.008 0.000 1.005 419 K HN 0.797 nan 8.250 nan 0.000 0.469 420 T N -0.072 114.489 114.554 0.012 0.000 2.913 420 T HA 0.225 4.576 4.350 0.002 0.000 0.287 420 T C -0.192 174.528 174.700 0.033 0.000 1.008 420 T CA -0.826 61.284 62.100 0.016 0.000 1.067 420 T CB 1.193 69.984 68.868 -0.129 0.000 0.996 420 T HN 0.416 nan 8.240 nan 0.000 0.513 421 K N 1.677 122.109 120.400 0.053 0.000 2.394 421 K HA 0.198 4.519 4.320 0.002 0.000 0.260 421 K C -1.133 175.481 176.600 0.023 0.000 0.967 421 K CA -0.660 55.647 56.287 0.033 0.000 0.855 421 K CB 1.155 33.650 32.500 -0.008 0.000 1.101 421 K HN 0.710 nan 8.250 nan 0.000 0.433 422 D N 4.806 125.183 120.400 -0.038 0.000 2.343 422 D HA 0.060 4.701 4.640 0.002 0.000 0.255 422 D C 0.623 176.760 176.300 -0.272 0.000 1.187 422 D CA -0.047 53.721 54.000 -0.386 0.000 0.875 422 D CB 0.920 41.523 40.800 -0.328 0.000 1.136 422 D HN 0.573 nan 8.370 nan 0.000 0.469 423 L N 2.616 123.658 121.223 -0.302 0.000 2.640 423 L HA 0.124 4.465 4.340 0.002 0.000 0.230 423 L C 0.972 177.714 176.870 -0.213 0.000 1.123 423 L CA 0.186 54.937 54.840 -0.149 0.000 0.900 423 L CB 0.185 42.252 42.059 0.012 0.000 1.146 423 L HN 0.466 nan 8.230 nan 0.000 0.484 424 T N -4.058 110.273 114.554 -0.372 0.000 3.542 424 T HA 0.268 4.619 4.350 0.002 0.000 0.276 424 T C -2.088 172.243 174.700 -0.617 0.000 1.412 424 T CA -1.272 60.434 62.100 -0.657 0.000 1.664 424 T CB 0.839 69.077 68.868 -1.051 0.000 0.863 424 T HN -0.164 nan 8.240 nan 0.000 0.661 425 P HA 0.025 nan 4.420 nan 0.000 0.229 425 P C 0.472 177.806 177.300 0.057 0.000 1.160 425 P CA 0.341 63.421 63.100 -0.034 0.000 0.777 425 P CB 0.277 31.931 31.700 -0.076 0.000 0.814 426 E N 0.979 121.122 120.200 -0.095 0.000 2.417 426 E HA 0.065 4.416 4.350 0.002 0.000 0.261 426 E C -0.161 176.532 176.600 0.154 0.000 1.000 426 E CA -0.179 56.167 56.400 -0.091 0.000 0.919 426 E CB 0.172 29.573 29.700 -0.499 0.000 0.955 426 E HN -0.099 nan 8.360 nan 0.000 0.455 427 S N 2.690 118.523 115.700 0.221 0.000 2.555 427 S HA 0.384 4.855 4.470 0.002 0.000 0.293 427 S C 0.189 174.996 174.600 0.346 0.000 1.248 427 S CA 0.753 59.128 58.200 0.291 0.000 1.096 427 S CB -0.201 63.106 63.200 0.178 0.000 0.881 427 S HN 0.765 nan 8.310 nan 0.000 0.498 428 G N 4.629 113.602 108.800 0.287 0.000 2.288 428 G HA2 0.080 4.041 3.960 0.002 0.000 0.227 428 G HA3 0.080 4.041 3.960 0.002 0.000 0.227 428 G C -1.511 173.394 174.900 0.009 0.000 1.339 428 G CA -0.758 44.397 45.100 0.091 0.000 1.057 428 G HN 0.572 nan 8.290 nan 0.000 0.470 429 M N 2.135 121.594 119.600 -0.235 0.000 2.114 429 M HA 0.434 4.915 4.480 0.002 0.000 0.332 429 M C -0.981 175.196 176.300 -0.204 0.000 1.014 429 M CA -0.403 54.810 55.300 -0.145 0.000 0.956 429 M CB 1.038 33.557 32.600 -0.136 0.000 1.551 429 M HN 0.556 nan 8.290 nan 0.000 0.427 430 H N 2.232 121.336 119.070 0.058 0.000 2.459 430 H HA 0.464 5.021 4.556 0.002 0.000 0.332 430 H C -0.574 174.777 175.328 0.038 0.000 1.094 430 H CA -0.511 55.578 56.048 0.068 0.000 1.224 430 H CB 2.202 31.950 29.762 -0.023 0.000 1.449 430 H HN 0.529 nan 8.280 nan 0.000 0.484 431 R N 2.056 122.619 120.500 0.105 0.000 2.360 431 R HA 0.340 4.681 4.340 0.002 0.000 0.318 431 R C -1.153 175.136 176.300 -0.017 0.000 0.950 431 R CA -0.362 55.771 56.100 0.055 0.000 0.837 431 R CB 0.818 31.136 30.300 0.030 0.000 1.165 431 R HN 0.557 nan 8.270 nan 0.000 0.458 432 T N 3.844 118.343 114.554 -0.092 0.000 2.886 432 T HA 0.348 4.699 4.350 0.002 0.000 0.292 432 T C -1.043 173.447 174.700 -0.349 0.000 1.012 432 T CA -0.811 61.090 62.100 -0.332 0.000 0.982 432 T CB 1.875 70.286 68.868 -0.761 0.000 1.018 432 T HN 0.514 nan 8.240 nan 0.000 0.451 433 Q N 1.887 121.543 119.800 -0.240 0.000 2.327 433 Q HA 0.528 4.869 4.340 0.002 0.000 0.270 433 Q C -1.161 174.873 176.000 0.057 0.000 1.022 433 Q CA -0.970 54.817 55.803 -0.027 0.000 0.773 433 Q CB 2.431 31.260 28.738 0.150 0.000 1.251 433 Q HN 0.469 nan 8.270 nan 0.000 0.457 434 L N 2.460 123.644 121.223 -0.065 0.000 2.349 434 L HA 0.291 4.632 4.340 0.002 0.000 0.275 434 L C 0.042 176.706 176.870 -0.343 0.000 1.115 434 L CA 0.263 55.007 54.840 -0.160 0.000 0.820 434 L CB 1.243 43.240 42.059 -0.103 0.000 1.135 434 L HN 0.720 nan 8.230 nan 0.000 0.445 435 S N 4.225 119.431 115.700 -0.823 0.000 2.584 435 S HA 0.277 4.748 4.470 0.002 0.000 0.270 435 S C -1.763 172.458 174.600 -0.633 0.000 1.346 435 S CA -0.622 56.681 58.200 -1.495 0.000 1.018 435 S CB 0.207 62.282 63.200 -1.874 0.000 0.899 435 S HN 0.674 nan 8.310 nan 0.000 0.542 436 P HA -0.135 nan 4.420 nan 0.000 0.216 436 P C 0.971 178.177 177.300 -0.156 0.000 1.150 436 P CA 1.344 64.339 63.100 -0.175 0.000 0.843 436 P CB -0.070 31.585 31.700 -0.075 0.000 0.787 437 D N -0.856 119.412 120.400 -0.221 0.000 2.160 437 D HA -0.173 4.468 4.640 0.002 0.000 0.189 437 D C 1.666 177.897 176.300 -0.115 0.000 1.003 437 D CA 2.261 56.170 54.000 -0.152 0.000 0.846 437 D CB -0.822 39.861 40.800 -0.194 0.000 0.949 437 D HN 0.276 nan 8.370 nan 0.000 0.446 438 G N -0.199 108.480 108.800 -0.201 0.000 2.132 438 G HA2 -0.282 3.679 3.960 0.002 0.000 0.234 438 G HA3 -0.282 3.679 3.960 0.002 0.000 0.234 438 G C 0.912 175.701 174.900 -0.184 0.000 0.989 438 G CA 1.173 46.164 45.100 -0.181 0.000 0.676 438 G HN 0.544 nan 8.290 nan 0.000 0.522 439 S N -1.597 113.979 115.700 -0.206 0.000 2.524 439 S HA 0.779 5.250 4.470 0.002 0.000 0.222 439 S C 0.963 175.491 174.600 -0.120 0.000 1.040 439 S CA 1.243 59.371 58.200 -0.120 0.000 0.915 439 S CB 0.664 63.812 63.200 -0.087 0.000 0.831 439 S HN 2.072 nan 8.310 nan 0.000 0.492 440 A N 1.081 123.772 122.820 -0.215 0.000 2.593 440 A HA 0.799 5.120 4.320 0.002 0.000 0.290 440 A C -1.182 176.380 177.584 -0.036 0.000 1.126 440 A CA -0.985 51.005 52.037 -0.079 0.000 0.695 440 A CB 1.026 20.053 19.000 0.045 0.000 1.290 440 A HN 0.912 nan 8.150 nan 0.000 0.414 441 I N -1.442 119.222 120.570 0.157 0.000 2.647 441 I HA 0.683 4.854 4.170 0.002 0.000 0.295 441 I C -1.111 175.132 176.117 0.210 0.000 1.078 441 I CA -0.869 60.526 61.300 0.158 0.000 1.048 441 I CB 1.913 39.854 38.000 -0.098 0.000 1.239 441 I HN 0.497 nan 8.210 nan 0.000 0.421 442 I N 3.619 124.285 120.570 0.160 0.000 2.371 442 I HA 0.281 4.452 4.170 0.002 0.000 0.290 442 I C -0.731 175.300 176.117 -0.143 0.000 1.028 442 I CA 0.237 61.453 61.300 -0.140 0.000 1.345 442 I CB 1.092 38.914 38.000 -0.296 0.000 1.407 442 I HN 0.637 nan 8.210 nan 0.000 0.501 443 D N 7.176 127.492 120.400 -0.141 0.000 2.391 443 D HA 0.537 5.179 4.640 0.002 0.000 0.245 443 D C -0.859 175.410 176.300 -0.051 0.000 1.069 443 D CA -0.328 53.621 54.000 -0.085 0.000 0.831 443 D CB 1.328 42.104 40.800 -0.040 0.000 1.204 443 D HN 0.273 nan 8.370 nan 0.000 0.503 444 I N 3.838 124.398 120.570 -0.017 0.000 2.378 444 I HA 0.404 4.575 4.170 0.002 0.000 0.291 444 I C -0.962 175.178 176.117 0.038 0.000 0.992 444 I CA -1.043 60.249 61.300 -0.013 0.000 1.154 444 I CB 1.251 39.224 38.000 -0.045 0.000 1.315 444 I HN 0.306 nan 8.210 nan 0.000 0.448 445 F N 6.707 126.550 119.950 -0.178 0.000 2.551 445 F HA 0.581 5.109 4.527 0.002 0.000 0.316 445 F C -0.903 174.754 175.800 -0.238 0.000 1.089 445 F CA -0.249 57.571 58.000 -0.301 0.000 0.915 445 F CB 1.710 40.494 39.000 -0.360 0.000 1.186 445 F HN 0.546 nan 8.300 nan 0.000 0.456 446 Q N 3.228 122.328 119.800 -1.166 0.000 2.418 446 Q HA 0.771 5.112 4.340 0.002 0.000 0.282 446 Q C -1.753 173.571 176.000 -1.126 0.000 1.044 446 Q CA -0.995 54.274 55.803 -0.891 0.000 0.813 446 Q CB 2.347 30.875 28.738 -0.350 0.000 1.428 446 Q HN 0.771 nan 8.270 nan 0.000 0.402 447 S N -0.878 114.454 115.700 -0.613 0.000 2.656 447 S HA 0.571 5.042 4.470 0.002 0.000 0.273 447 S C -2.482 172.134 174.600 0.027 0.000 1.168 447 S CA -1.080 56.927 58.200 -0.323 0.000 0.817 447 S CB 1.376 64.421 63.200 -0.260 0.000 1.146 447 S HN 0.446 nan 8.310 nan 0.000 0.475 448 P HA -0.039 nan 4.420 nan 0.000 0.219 448 P C 1.299 178.776 177.300 0.295 0.000 1.146 448 P CA 2.131 65.295 63.100 0.107 0.000 0.808 448 P CB -0.299 31.405 31.700 0.007 0.000 0.779 449 T N -5.664 109.022 114.554 0.220 0.000 3.022 449 T HA 0.187 4.538 4.350 0.002 0.000 0.250 449 T C 0.491 175.238 174.700 0.078 0.000 1.060 449 T CA -0.029 62.200 62.100 0.214 0.000 1.013 449 T CB -0.289 68.644 68.868 0.108 0.000 0.982 449 T HN -0.199 nan 8.240 nan 0.000 0.508 450 V N 3.424 123.324 119.914 -0.024 0.000 2.349 450 V HA 0.340 4.461 4.120 0.002 0.000 0.284 450 V C -1.860 173.915 176.094 -0.532 0.000 1.014 450 V CA -1.832 60.316 62.300 -0.253 0.000 0.826 450 V CB 1.877 33.642 31.823 -0.096 0.000 1.009 450 V HN 0.027 nan 8.190 nan 0.000 0.431 451 P HA -0.062 nan 4.420 nan 0.000 0.216 451 P C 0.356 177.279 177.300 -0.628 0.000 1.150 451 P CA 0.845 63.142 63.100 -1.338 0.000 0.837 451 P CB 0.240 31.098 31.700 -1.403 0.000 0.786 452 R N -1.266 118.936 120.500 -0.497 0.000 2.937 452 R HA 0.319 4.660 4.340 0.002 0.000 0.273 452 R C -1.661 174.483 176.300 -0.260 0.000 1.176 452 R CA -0.410 55.490 56.100 -0.333 0.000 1.132 452 R CB 0.508 30.591 30.300 -0.362 0.000 1.270 452 R HN -0.236 nan 8.270 nan 0.000 0.425 453 K N 3.781 124.113 120.400 -0.112 0.000 2.502 453 K HA 0.520 4.841 4.320 0.002 0.000 0.254 453 K C -1.348 175.214 176.600 -0.063 0.000 0.947 453 K CA -0.681 55.569 56.287 -0.061 0.000 0.834 453 K CB 1.688 34.233 32.500 0.075 0.000 1.112 453 K HN 0.337 nan 8.250 nan 0.000 0.427 454 V N 4.434 124.264 119.914 -0.140 0.000 2.313 454 V HA 0.267 4.388 4.120 0.002 0.000 0.278 454 V C 0.110 176.083 176.094 -0.202 0.000 1.017 454 V CA -0.554 61.648 62.300 -0.163 0.000 0.823 454 V CB 1.007 32.709 31.823 -0.202 0.000 1.010 454 V HN 0.935 nan 8.190 nan 0.000 0.443 455 T N 2.053 116.500 114.554 -0.178 0.000 2.950 455 T HA 0.820 5.171 4.350 0.002 0.000 0.288 455 T C -0.708 173.861 174.700 -0.220 0.000 1.035 455 T CA -0.832 61.152 62.100 -0.193 0.000 1.028 455 T CB 2.142 70.921 68.868 -0.148 0.000 1.109 455 T HN 0.208 nan 8.240 nan 0.000 0.514 456 V N 1.658 121.455 119.914 -0.195 0.000 2.482 456 V HA 0.505 4.627 4.120 0.002 0.000 0.295 456 V C -0.268 175.810 176.094 -0.026 0.000 1.026 456 V CA -0.673 61.512 62.300 -0.192 0.000 0.856 456 V CB 1.660 33.199 31.823 -0.474 0.000 1.001 456 V HN 1.157 nan 8.190 nan 0.000 0.424 457 T N 4.187 118.751 114.554 0.017 0.000 2.779 457 T HA 0.344 4.695 4.350 0.002 0.000 0.280 457 T C 0.034 174.784 174.700 0.082 0.000 0.987 457 T CA -0.496 61.627 62.100 0.039 0.000 0.966 457 T CB 0.830 69.700 68.868 0.004 0.000 0.933 457 T HN 0.523 nan 8.240 nan 0.000 0.442 458 N N 3.306 122.056 118.700 0.082 0.000 2.431 458 N HA 0.159 4.900 4.740 0.002 0.000 0.265 458 N C 0.130 175.669 175.510 0.048 0.000 1.184 458 N CA -0.042 53.051 53.050 0.072 0.000 0.943 458 N CB 0.584 39.112 38.487 0.069 0.000 1.080 458 N HN 0.607 nan 8.380 nan 0.000 0.477 459 I N 1.624 122.218 120.570 0.040 0.000 2.845 459 I HA -0.145 4.026 4.170 0.002 0.000 0.290 459 I C 1.448 177.595 176.117 0.050 0.000 1.202 459 I CA 0.707 62.037 61.300 0.050 0.000 1.406 459 I CB -0.002 38.038 38.000 0.066 0.000 1.383 459 I HN 0.735 nan 8.210 nan 0.000 0.549 460 G N 5.274 114.099 108.800 0.041 0.000 2.198 460 G HA2 -0.314 3.647 3.960 0.002 0.000 0.260 460 G HA3 -0.314 3.647 3.960 0.002 0.000 0.260 460 G C 0.438 175.353 174.900 0.026 0.000 1.025 460 G CA 0.102 45.221 45.100 0.031 0.000 0.769 460 G HN 0.729 nan 8.290 nan 0.000 0.507 461 K N -0.341 120.075 120.400 0.026 0.000 3.054 461 K HA 0.487 4.808 4.320 0.002 0.000 0.203 461 K C 0.819 177.435 176.600 0.026 0.000 1.126 461 K CA -0.005 56.297 56.287 0.026 0.000 1.023 461 K CB 0.820 33.339 32.500 0.032 0.000 0.722 461 K HN 1.586 nan 8.250 nan 0.000 0.441 462 G N 1.688 110.499 108.800 0.017 0.000 2.750 462 G HA2 -0.251 3.710 3.960 0.002 0.000 0.686 462 G HA3 -0.251 3.710 3.960 0.002 0.000 0.686 462 G C -0.221 174.694 174.900 0.024 0.000 1.395 462 G CA -0.118 44.991 45.100 0.014 0.000 0.918 462 G HN 0.308 nan 8.290 nan 0.000 0.594 463 S N 1.389 117.096 115.700 0.011 0.000 2.687 463 S HA 0.744 5.215 4.470 0.002 0.000 0.283 463 S C -0.086 174.550 174.600 0.060 0.000 1.170 463 S CA -0.046 58.162 58.200 0.014 0.000 1.008 463 S CB 1.908 65.085 63.200 -0.038 0.000 1.026 463 S HN 1.610 nan 8.310 nan 0.000 0.541 464 H N 0.921 119.959 119.070 -0.054 0.000 2.823 464 H HA 0.341 4.898 4.556 0.002 0.000 0.332 464 H C -1.045 174.227 175.328 -0.094 0.000 0.980 464 H CA -0.392 55.624 56.048 -0.053 0.000 1.286 464 H CB 1.268 31.018 29.762 -0.020 0.000 1.541 464 H HN 0.728 nan 8.280 nan 0.000 0.521 465 T N 5.769 120.021 114.554 -0.503 0.000 2.884 465 T HA 0.059 4.410 4.350 0.002 0.000 0.298 465 T C 1.250 175.588 174.700 -0.603 0.000 0.998 465 T CA -0.356 61.485 62.100 -0.432 0.000 1.124 465 T CB 1.196 69.891 68.868 -0.289 0.000 0.931 465 T HN 0.520 nan 8.240 nan 0.000 0.531 466 L N 3.354 124.347 121.223 -0.383 0.000 2.609 466 L HA 0.609 4.950 4.340 0.002 0.000 0.230 466 L C -0.224 176.494 176.870 -0.253 0.000 1.064 466 L CA 0.675 55.337 54.840 -0.296 0.000 0.873 466 L CB 0.401 42.298 42.059 -0.271 0.000 1.139 466 L HN 0.596 nan 8.230 nan 0.000 0.490 467 L N -0.343 120.729 121.223 -0.251 0.000 2.611 467 L HA 0.438 4.779 4.340 0.002 0.000 0.260 467 L C -1.607 175.122 176.870 -0.236 0.000 0.924 467 L CA -0.323 54.377 54.840 -0.235 0.000 0.901 467 L CB 1.731 43.644 42.059 -0.244 0.000 1.369 467 L HN -0.005 nan 8.230 nan 0.000 0.415 468 E N 3.698 123.757 120.200 -0.234 0.000 2.241 468 E HA 0.741 5.092 4.350 0.002 0.000 0.263 468 E C -1.310 175.119 176.600 -0.286 0.000 0.882 468 E CA -0.646 55.611 56.400 -0.238 0.000 0.769 468 E CB 1.976 31.567 29.700 -0.182 0.000 1.185 468 E HN 0.763 nan 8.360 nan 0.000 0.415 469 A N 3.002 125.595 122.820 -0.379 0.000 2.310 469 A HA 0.712 5.033 4.320 0.002 0.000 0.299 469 A C -0.204 177.160 177.584 -0.366 0.000 1.147 469 A CA -0.261 51.504 52.037 -0.454 0.000 0.818 469 A CB 0.945 19.514 19.000 -0.718 0.000 1.096 469 A HN 0.629 nan 8.150 nan 0.000 0.495 470 K N 0.799 121.022 120.400 -0.296 0.000 2.123 470 K HA 0.678 4.999 4.320 0.002 0.000 0.259 470 K C 0.392 176.860 176.600 -0.220 0.000 0.960 470 K CA 0.017 56.173 56.287 -0.217 0.000 0.872 470 K CB -0.150 32.266 32.500 -0.139 0.000 1.079 470 K HN 1.638 nan 8.250 nan 0.000 0.440 478 M N 1.330 120.896 119.600 -0.056 0.000 2.575 478 M HA 0.495 4.976 4.480 0.002 0.000 0.284 478 M C -2.804 173.422 176.300 -0.123 0.000 1.253 478 M CA -2.029 53.216 55.300 -0.090 0.000 0.861 478 M CB 1.144 33.697 32.600 -0.078 0.000 1.733 478 M HN 0.458 nan 8.290 nan 0.000 0.462 479 P HA 0.110 nan 4.420 nan 0.000 0.267 479 P C -0.450 176.753 177.300 -0.162 0.000 1.205 479 P CA 0.001 63.001 63.100 -0.167 0.000 0.765 479 P CB 0.380 31.977 31.700 -0.172 0.000 0.828 480 E N 2.767 122.870 120.200 -0.162 0.000 2.384 480 E HA 0.103 4.454 4.350 0.002 0.000 0.266 480 E C -0.737 175.765 176.600 -0.163 0.000 1.012 480 E CA -0.303 56.006 56.400 -0.152 0.000 0.901 480 E CB 0.306 29.916 29.700 -0.150 0.000 0.967 480 E HN 0.284 nan 8.360 nan 0.000 0.435 481 I N 5.159 125.646 120.570 -0.138 0.000 2.330 481 I HA 0.272 4.443 4.170 0.002 0.000 0.289 481 I C 0.232 176.313 176.117 -0.059 0.000 1.001 481 I CA -0.204 61.032 61.300 -0.107 0.000 1.193 481 I CB 1.269 39.186 38.000 -0.139 0.000 1.345 481 I HN 0.381 nan 8.210 nan 0.000 0.461 482 R N 3.807 124.309 120.500 0.004 0.000 2.598 482 R HA 0.805 5.146 4.340 0.002 0.000 0.279 482 R C -0.437 175.909 176.300 0.076 0.000 0.984 482 R CA -0.777 55.362 56.100 0.065 0.000 0.999 482 R CB 1.927 32.324 30.300 0.161 0.000 1.114 482 R HN 0.678 nan 8.270 nan 0.000 0.493 483 T N -1.766 112.769 114.554 -0.031 0.000 2.883 483 T HA 0.860 5.211 4.350 0.002 0.000 0.296 483 T C 0.047 174.437 174.700 -0.516 0.000 1.117 483 T CA -0.620 61.312 62.100 -0.281 0.000 1.006 483 T CB 2.490 71.241 68.868 -0.194 0.000 1.191 483 T HN 0.772 nan 8.240 nan 0.000 0.508 484 G N 0.097 108.259 108.800 -1.063 0.000 2.364 484 G HA2 0.562 4.523 3.960 0.002 0.000 0.286 484 G HA3 0.562 4.523 3.960 0.002 0.000 0.286 484 G C -1.497 173.057 174.900 -0.577 0.000 1.241 484 G CA -0.577 44.101 45.100 -0.704 0.000 0.887 484 G HN 0.932 nan 8.290 nan 0.000 0.484 485 T N 0.512 114.992 114.554 -0.123 0.000 2.912 485 T HA 0.672 5.023 4.350 0.002 0.000 0.299 485 T C -0.322 174.429 174.700 0.086 0.000 1.052 485 T CA -0.151 61.942 62.100 -0.012 0.000 0.996 485 T CB 1.475 70.352 68.868 0.016 0.000 1.070 485 T HN 1.080 nan 8.240 nan 0.000 0.465 486 I N -1.305 119.291 120.570 0.044 0.000 3.042 486 I HA 0.703 4.874 4.170 0.002 0.000 0.310 486 I C -0.642 175.478 176.117 0.005 0.000 1.117 486 I CA -1.547 59.774 61.300 0.034 0.000 1.003 486 I CB 1.667 39.674 38.000 0.010 0.000 1.228 486 I HN 0.309 nan 8.210 nan 0.000 0.443 487 M N 3.055 122.671 119.600 0.026 0.000 2.217 487 M HA 0.410 4.891 4.480 0.002 0.000 0.354 487 M C 0.565 176.880 176.300 0.025 0.000 1.225 487 M CA 0.022 55.336 55.300 0.022 0.000 1.137 487 M CB 0.909 33.529 32.600 0.033 0.000 1.576 487 M HN 0.932 nan 8.290 nan 0.000 0.461 488 A N 3.019 125.851 122.820 0.020 0.000 2.364 488 A HA 0.441 4.763 4.320 0.002 0.000 0.258 488 A C 1.242 178.832 177.584 0.010 0.000 1.131 488 A CA 0.487 52.531 52.037 0.011 0.000 0.800 488 A CB -0.212 18.781 19.000 -0.011 0.000 1.086 488 A HN 0.962 nan 8.150 nan 0.000 0.508 489 A N -0.625 122.194 122.820 -0.002 0.000 2.168 489 A HA -0.013 4.308 4.320 0.002 0.000 0.215 489 A C 1.295 178.880 177.584 0.003 0.000 1.152 489 A CA 1.644 53.683 52.037 0.003 0.000 0.716 489 A CB -0.678 18.322 19.000 -0.000 0.000 0.794 489 A HN 0.835 nan 8.150 nan 0.000 0.465 490 D N -1.859 118.541 120.400 -0.001 0.000 2.347 490 D HA 0.181 4.822 4.640 0.002 0.000 0.213 490 D C 1.286 177.597 176.300 0.018 0.000 0.985 490 D CA 0.941 54.945 54.000 0.006 0.000 0.879 490 D CB -0.703 40.099 40.800 0.003 0.000 0.919 490 D HN 0.708 nan 8.370 nan 0.000 0.526 491 G N 0.114 108.927 108.800 0.021 0.000 2.162 491 G HA2 -0.366 3.595 3.960 0.002 0.000 0.260 491 G HA3 -0.366 3.595 3.960 0.002 0.000 0.260 491 G C 0.902 175.822 174.900 0.033 0.000 0.976 491 G CA 0.694 45.810 45.100 0.027 0.000 0.655 491 G HN 0.486 nan 8.290 nan 0.000 0.533 492 Q N -1.177 118.645 119.800 0.037 0.000 2.586 492 Q HA 0.133 4.474 4.340 0.002 0.000 0.243 492 Q C 0.543 176.580 176.000 0.062 0.000 0.846 492 Q CA 0.713 56.545 55.803 0.049 0.000 0.959 492 Q CB 0.637 29.406 28.738 0.052 0.000 1.227 492 Q HN 0.407 nan 8.270 nan 0.000 0.611 493 T N 4.458 119.053 114.554 0.068 0.000 2.814 493 T HA 0.251 4.602 4.350 0.002 0.000 0.297 493 T C -2.541 172.202 174.700 0.072 0.000 0.956 493 T CA -1.096 61.069 62.100 0.108 0.000 1.123 493 T CB 0.946 69.906 68.868 0.153 0.000 0.902 493 T HN -0.029 nan 8.240 nan 0.000 0.528 494 P HA 0.417 nan 4.420 nan 0.000 0.279 494 P C -0.822 176.323 177.300 -0.258 0.000 1.239 494 P CA -0.501 62.529 63.100 -0.116 0.000 0.789 494 P CB 0.630 32.241 31.700 -0.150 0.000 0.933 495 L N 3.007 124.021 121.223 -0.347 0.000 2.365 495 L HA 0.480 4.821 4.340 0.002 0.000 0.273 495 L C -0.415 176.145 176.870 -0.518 0.000 1.000 495 L CA -0.979 53.674 54.840 -0.311 0.000 0.819 495 L CB 1.332 43.383 42.059 -0.013 0.000 1.284 495 L HN 0.349 nan 8.230 nan 0.000 0.418 496 Y N 1.819 122.164 120.300 0.074 0.000 2.323 496 Y HA 0.472 5.023 4.550 0.002 0.000 0.331 496 Y C -0.251 175.645 175.900 -0.007 0.000 1.092 496 Y CA -0.640 57.445 58.100 -0.024 0.000 1.150 496 Y CB 1.283 39.709 38.460 -0.057 0.000 1.200 496 Y HN 0.430 nan 8.280 nan 0.000 0.472 497 Y N 0.610 120.922 120.300 0.019 0.000 2.545 497 Y HA 0.734 5.285 4.550 0.002 0.000 0.348 497 Y C -1.360 174.470 175.900 -0.118 0.000 1.002 497 Y CA -2.162 55.836 58.100 -0.170 0.000 1.039 497 Y CB 1.468 39.764 38.460 -0.272 0.000 1.271 497 Y HN 0.566 nan 8.280 nan 0.000 0.467 498 K N 3.099 123.524 120.400 0.042 0.000 2.375 498 K HA 0.784 5.105 4.320 0.002 0.000 0.249 498 K C -2.293 174.403 176.600 0.161 0.000 0.942 498 K CA -1.053 55.278 56.287 0.073 0.000 0.806 498 K CB 2.578 35.070 32.500 -0.013 0.000 1.227 498 K HN 0.752 nan 8.250 nan 0.000 0.430 499 L N 1.365 122.727 121.223 0.231 0.000 2.446 499 L HA 0.342 4.683 4.340 0.002 0.000 0.268 499 L C -1.444 175.494 176.870 0.113 0.000 0.975 499 L CA 0.091 55.111 54.840 0.301 0.000 0.848 499 L CB 2.178 44.547 42.059 0.517 0.000 1.225 499 L HN 0.804 nan 8.230 nan 0.000 0.410 500 T N 6.118 120.706 114.554 0.057 0.000 2.728 500 T HA 0.470 4.821 4.350 0.002 0.000 0.296 500 T C 0.309 174.941 174.700 -0.113 0.000 0.940 500 T CA -0.439 61.627 62.100 -0.056 0.000 1.013 500 T CB 0.400 69.221 68.868 -0.078 0.000 0.912 500 T HN 0.405 nan 8.240 nan 0.000 0.484 501 M N 4.138 123.598 119.600 -0.234 0.000 2.250 501 M HA 0.329 4.810 4.480 0.002 0.000 0.344 501 M C -2.280 173.806 176.300 -0.356 0.000 1.150 501 M CA -3.375 51.657 55.300 -0.446 0.000 1.147 501 M CB -0.119 32.081 32.600 -0.667 0.000 1.498 501 M HN 0.172 nan 8.290 nan 0.000 0.461 502 P HA 0.008 nan 4.420 nan 0.000 0.266 502 P C -0.325 176.846 177.300 -0.215 0.000 1.193 502 P CA -0.396 62.532 63.100 -0.287 0.000 0.770 502 P CB 0.253 31.675 31.700 -0.465 0.000 0.836 503 L N 5.471 126.573 121.223 -0.201 0.000 2.525 503 L HA 0.006 4.347 4.340 0.002 0.000 0.278 503 L C 0.611 177.327 176.870 -0.256 0.000 1.218 503 L CA 0.747 55.399 54.840 -0.313 0.000 0.878 503 L CB -0.907 40.895 42.059 -0.429 0.000 1.127 503 L HN 0.520 nan 8.230 nan 0.000 0.492 504 H N 2.333 121.401 119.070 -0.005 0.000 2.936 504 H HA -0.262 4.295 4.556 0.002 0.000 0.276 504 H C 0.000 175.331 175.328 0.004 0.000 1.216 504 H CA 0.778 56.829 56.048 0.005 0.000 1.132 504 H CB -2.490 27.282 29.762 0.017 0.000 1.303 504 H HN 0.566 nan 8.280 nan 0.000 0.370 505 F N 2.699 122.578 119.950 -0.118 0.000 2.579 505 F HA 0.079 4.607 4.527 0.002 0.000 0.397 505 F C 0.600 176.352 175.800 -0.079 0.000 1.027 505 F CA 0.278 58.118 58.000 -0.267 0.000 1.217 505 F CB 0.452 39.175 39.000 -0.460 0.000 0.986 505 F HN 0.169 nan 8.300 nan 0.000 0.551 506 D N 8.651 128.605 120.400 -0.742 0.000 2.425 506 D HA 0.299 4.940 4.640 0.002 0.000 0.240 506 D C -2.118 173.655 176.300 -0.878 0.000 1.080 506 D CA -2.099 51.534 54.000 -0.611 0.000 0.836 506 D CB 2.130 42.821 40.800 -0.183 0.000 1.125 506 D HN 0.227 nan 8.370 nan 0.000 0.525 507 P HA -0.006 nan 4.420 nan 0.000 0.225 507 P C 0.911 178.157 177.300 -0.090 0.000 1.148 507 P CA 0.533 63.381 63.100 -0.419 0.000 0.779 507 P CB 0.287 31.920 31.700 -0.111 0.000 0.780 508 A N -0.976 121.774 122.820 -0.118 0.000 2.121 508 A HA -0.085 4.236 4.320 0.002 0.000 0.218 508 A C 1.231 178.792 177.584 -0.037 0.000 1.154 508 A CA 1.101 53.108 52.037 -0.050 0.000 0.679 508 A CB -0.528 18.433 19.000 -0.065 0.000 0.795 508 A HN 0.095 nan 8.150 nan 0.000 0.458 509 K N 0.320 120.688 120.400 -0.053 0.000 2.106 509 K HA 0.418 4.739 4.320 0.002 0.000 0.246 509 K C -0.598 175.965 176.600 -0.061 0.000 0.987 509 K CA -0.595 55.599 56.287 -0.154 0.000 0.904 509 K CB 0.774 33.046 32.500 -0.380 0.000 1.071 509 K HN -0.009 nan 8.250 nan 0.000 0.453 510 K N 1.596 121.863 120.400 -0.222 0.000 2.182 510 K HA 0.375 4.696 4.320 0.002 0.000 0.262 510 K C -0.820 175.596 176.600 -0.307 0.000 0.957 510 K CA -0.533 55.702 56.287 -0.085 0.000 0.842 510 K CB 1.023 33.475 32.500 -0.080 0.000 1.099 510 K HN 0.456 nan 8.250 nan 0.000 0.438 511 Y N 1.695 122.091 120.300 0.160 0.000 2.512 511 Y HA 0.304 4.855 4.550 0.002 0.000 0.348 511 Y C -1.993 173.921 175.900 0.022 0.000 0.990 511 Y CA -2.158 56.008 58.100 0.109 0.000 1.033 511 Y CB 1.967 40.599 38.460 0.286 0.000 1.259 511 Y HN 0.455 nan 8.280 nan 0.000 0.461 512 P HA 0.245 nan 4.420 nan 0.000 0.274 512 P C -1.102 176.263 177.300 0.108 0.000 1.237 512 P CA -0.203 62.893 63.100 -0.006 0.000 0.793 512 P CB 2.265 33.832 31.700 -0.222 0.000 0.977 513 V N 2.852 122.857 119.914 0.151 0.000 2.925 513 V HA 0.546 4.667 4.120 0.002 0.000 0.311 513 V C -1.019 175.199 176.094 0.206 0.000 1.104 513 V CA -1.061 61.350 62.300 0.185 0.000 0.954 513 V CB 1.928 33.819 31.823 0.112 0.000 1.022 513 V HN 0.328 nan 8.190 nan 0.000 0.427 514 I N 5.603 126.299 120.570 0.210 0.000 2.436 514 I HA 0.437 4.608 4.170 0.002 0.000 0.289 514 I C -0.447 175.867 176.117 0.327 0.000 1.010 514 I CA -0.985 60.437 61.300 0.202 0.000 1.098 514 I CB 2.116 40.112 38.000 -0.007 0.000 1.266 514 I HN 0.328 nan 8.210 nan 0.000 0.434 515 V N 6.697 126.839 119.914 0.380 0.000 2.405 515 V HA -0.005 4.116 4.120 0.002 0.000 0.264 515 V C -0.429 175.868 176.094 0.339 0.000 1.048 515 V CA -0.232 62.318 62.300 0.417 0.000 0.966 515 V CB 0.112 32.195 31.823 0.432 0.000 1.015 515 V HN 0.472 nan 8.190 nan 0.000 0.477 516 Y N 5.750 126.213 120.300 0.270 0.000 2.452 516 Y HA 0.545 5.096 4.550 0.002 0.000 0.348 516 Y C -0.120 175.858 175.900 0.129 0.000 0.985 516 Y CA -0.118 58.110 58.100 0.213 0.000 1.214 516 Y CB 1.364 40.002 38.460 0.296 0.000 1.136 516 Y HN 0.459 nan 8.280 nan 0.000 0.523 517 V N 8.452 128.076 119.914 -0.482 0.000 2.628 517 V HA 0.308 4.429 4.120 0.002 0.000 0.306 517 V C -1.140 174.769 176.094 -0.309 0.000 1.045 517 V CA -0.316 61.835 62.300 -0.248 0.000 0.905 517 V CB 1.593 33.322 31.823 -0.156 0.000 0.997 517 V HN 0.905 nan 8.190 nan 0.000 0.436 518 Y N 4.768 124.975 120.300 -0.154 0.000 2.972 518 Y HA 0.538 5.089 4.550 0.002 0.000 0.211 518 Y C 1.727 177.676 175.900 0.083 0.000 0.969 518 Y CA 1.365 59.444 58.100 -0.035 0.000 1.574 518 Y CB 0.343 38.829 38.460 0.043 0.000 1.364 518 Y HN 0.911 nan 8.280 nan 0.000 0.467 519 G N 0.358 109.191 108.800 0.055 0.000 2.179 519 G HA2 -0.204 3.757 3.960 0.002 0.000 0.260 519 G HA3 -0.204 3.757 3.960 0.002 0.000 0.260 519 G C 0.558 175.238 174.900 -0.367 0.000 0.977 519 G CA 0.320 45.390 45.100 -0.051 0.000 0.641 519 G HN 0.929 nan 8.290 nan 0.000 0.533 520 G N 0.122 108.416 108.800 -0.843 0.000 2.488 520 G HA2 0.746 4.707 3.960 0.002 0.000 0.318 520 G HA3 0.746 4.707 3.960 0.002 0.000 0.318 520 G C -1.838 172.757 174.900 -0.508 0.000 1.188 520 G CA -0.752 43.483 45.100 -1.440 0.000 0.944 520 G HN 0.220 nan 8.290 nan 0.000 0.495 521 P HA 0.038 nan 4.420 nan 0.000 0.271 521 P C -0.076 177.236 177.300 0.020 0.000 1.233 521 P CA 0.259 63.155 63.100 -0.340 0.000 0.789 521 P CB 0.369 31.611 31.700 -0.762 0.000 0.951 522 H N -3.004 116.095 119.070 0.047 0.000 3.211 522 H HA -0.174 4.383 4.556 0.002 0.000 0.240 522 H C 0.127 175.521 175.328 0.110 0.000 1.148 522 H CA 1.355 57.469 56.048 0.110 0.000 1.160 522 H CB -1.827 28.024 29.762 0.149 0.000 1.232 522 H HN 0.719 nan 8.280 nan 0.000 0.321 523 A N 0.471 123.412 122.820 0.203 0.000 2.475 523 A HA 0.656 4.977 4.320 0.002 0.000 0.301 523 A C -0.462 177.203 177.584 0.135 0.000 1.059 523 A CA -0.446 51.669 52.037 0.130 0.000 0.710 523 A CB 2.667 21.661 19.000 -0.010 0.000 1.288 523 A HN 0.184 nan 8.150 nan 0.000 0.408 524 Q N 1.763 121.622 119.800 0.098 0.000 2.269 524 Q HA 0.491 4.832 4.340 0.002 0.000 0.263 524 Q C -1.304 174.745 176.000 0.082 0.000 0.983 524 Q CA -0.616 55.252 55.803 0.107 0.000 0.777 524 Q CB 1.211 30.006 28.738 0.095 0.000 1.273 524 Q HN 0.585 nan 8.270 nan 0.000 0.440 525 L N 3.281 124.564 121.223 0.100 0.000 2.513 525 L HA 0.231 4.572 4.340 0.002 0.000 0.222 525 L C 0.025 176.929 176.870 0.056 0.000 1.096 525 L CA 0.622 55.512 54.840 0.083 0.000 0.857 525 L CB 1.183 43.329 42.059 0.144 0.000 1.026 525 L HN 0.435 nan 8.230 nan 0.000 0.469 526 V N 0.319 120.270 119.914 0.062 0.000 2.284 526 V HA 0.497 4.618 4.120 0.002 0.000 0.274 526 V C 0.081 176.184 176.094 0.014 0.000 1.023 526 V CA -0.342 61.979 62.300 0.035 0.000 0.808 526 V CB 0.729 32.587 31.823 0.058 0.000 1.035 526 V HN 0.366 nan 8.190 nan 0.000 0.445 527 T N 0.644 115.190 114.554 -0.013 0.000 2.887 527 T HA 0.512 4.863 4.350 0.002 0.000 0.292 527 T C -0.368 174.302 174.700 -0.050 0.000 1.087 527 T CA -0.968 61.115 62.100 -0.028 0.000 1.009 527 T CB 2.177 71.043 68.868 -0.005 0.000 1.203 527 T HN 0.389 nan 8.240 nan 0.000 0.518 528 K N 1.256 121.625 120.400 -0.051 0.000 2.187 528 K HA 0.356 4.678 4.320 0.002 0.000 0.242 528 K C -0.484 176.071 176.600 -0.075 0.000 1.179 528 K CA -0.165 56.087 56.287 -0.058 0.000 1.097 528 K CB -0.320 32.156 32.500 -0.039 0.000 1.634 528 K HN 0.680 nan 8.250 nan 0.000 0.335 529 T N 1.515 116.025 114.554 -0.072 0.000 2.926 529 T HA 0.194 4.545 4.350 0.002 0.000 0.289 529 T C -1.471 173.223 174.700 -0.009 0.000 1.054 529 T CA -0.772 61.287 62.100 -0.067 0.000 1.015 529 T CB 0.527 69.365 68.868 -0.050 0.000 1.167 529 T HN 0.587 nan 8.240 nan 0.000 0.526 530 W N 4.301 125.494 121.300 -0.178 0.000 2.565 530 W HA 0.407 5.068 4.660 0.002 0.000 0.325 530 W C 0.550 177.014 176.519 -0.092 0.000 1.408 530 W CA -0.606 56.657 57.345 -0.137 0.000 1.350 530 W CB -0.172 29.208 29.460 -0.133 0.000 1.426 530 W HN 0.942 nan 8.180 nan 0.000 0.538 535 G N 0.989 109.783 108.800 -0.011 0.000 2.198 535 G HA2 0.087 4.048 3.960 0.002 0.000 0.260 535 G HA3 0.087 4.048 3.960 0.002 0.000 0.260 535 G C 1.352 176.340 174.900 0.146 0.000 1.025 535 G CA 0.987 46.123 45.100 0.060 0.000 0.769 535 G HN 2.167 nan 8.290 nan 0.000 0.507 536 G N -1.981 106.861 108.800 0.070 0.000 2.160 536 G HA2 -0.322 3.639 3.960 0.002 0.000 0.251 536 G HA3 -0.322 3.639 3.960 0.002 0.000 0.251 536 G C 0.973 175.945 174.900 0.120 0.000 1.008 536 G CA 1.152 46.293 45.100 0.069 0.000 0.724 536 G HN 1.673 nan 8.290 nan 0.000 0.514 537 W N 1.583 122.812 121.300 -0.118 0.000 2.418 537 W HA -0.003 4.658 4.660 0.002 0.000 0.292 537 W C 2.126 178.546 176.519 -0.164 0.000 1.213 537 W CA 1.901 59.063 57.345 -0.305 0.000 1.283 537 W CB 0.074 29.162 29.460 -0.620 0.000 1.119 537 W HN 0.389 nan 8.180 nan 0.000 0.542 538 D N 0.852 121.130 120.400 -0.204 0.000 2.116 538 D HA -0.281 4.360 4.640 0.002 0.000 0.193 538 D C 1.958 178.064 176.300 -0.322 0.000 0.998 538 D CA 2.034 55.845 54.000 -0.315 0.000 0.836 538 D CB -1.102 39.625 40.800 -0.122 0.000 0.951 538 D HN 0.188 nan 8.370 nan 0.000 0.449 539 I N 0.248 120.700 120.570 -0.197 0.000 2.179 539 I HA -0.234 3.937 4.170 0.002 0.000 0.242 539 I C 2.638 178.688 176.117 -0.111 0.000 1.088 539 I CA 0.891 62.105 61.300 -0.142 0.000 1.357 539 I CB -1.444 36.504 38.000 -0.087 0.000 1.051 539 I HN 0.105 nan 8.210 nan 0.000 0.409 540 Y N 0.650 120.782 120.300 -0.280 0.000 2.181 540 Y HA -0.297 4.254 4.550 0.002 0.000 0.288 540 Y C 2.826 178.518 175.900 -0.347 0.000 1.146 540 Y CA 1.219 59.166 58.100 -0.254 0.000 1.164 540 Y CB 0.082 38.424 38.460 -0.197 0.000 0.982 540 Y HN -0.010 nan 8.280 nan 0.000 0.515 541 M N 0.264 119.461 119.600 -0.670 0.000 2.132 541 M HA -0.143 4.338 4.480 0.002 0.000 0.263 541 M C 2.459 178.548 176.300 -0.351 0.000 1.065 541 M CA 1.611 56.472 55.300 -0.732 0.000 1.122 541 M CB -1.519 30.448 32.600 -1.054 0.000 1.365 541 M HN 0.429 nan 8.290 nan 0.000 0.411 542 A N -0.816 121.837 122.820 -0.279 0.000 2.019 542 A HA -0.189 4.132 4.320 0.002 0.000 0.219 542 A C 2.030 179.536 177.584 -0.130 0.000 1.164 542 A CA 1.330 53.270 52.037 -0.163 0.000 0.644 542 A CB -0.660 18.235 19.000 -0.175 0.000 0.805 542 A HN 0.634 nan 8.150 nan 0.000 0.449 543 Q N -0.508 119.213 119.800 -0.132 0.000 2.291 543 Q HA -0.069 4.272 4.340 0.002 0.000 0.205 543 Q C 1.142 177.109 176.000 -0.054 0.000 0.970 543 Q CA 1.091 56.843 55.803 -0.085 0.000 0.876 543 Q CB -0.053 28.683 28.738 -0.003 0.000 0.935 543 Q HN 0.600 nan 8.270 nan 0.000 0.455 544 K N -0.816 119.537 120.400 -0.078 0.000 2.387 544 K HA 0.129 4.450 4.320 0.002 0.000 0.198 544 K C 0.542 177.250 176.600 0.181 0.000 1.022 544 K CA 0.463 56.755 56.287 0.009 0.000 1.128 544 K CB 0.885 33.308 32.500 -0.127 0.000 0.853 544 K HN 0.266 nan 8.250 nan 0.000 0.523 545 G N 1.185 110.055 108.800 0.118 0.000 2.132 545 G HA2 -0.263 3.698 3.960 0.002 0.000 0.228 545 G HA3 -0.263 3.698 3.960 0.002 0.000 0.228 545 G C -0.680 174.255 174.900 0.057 0.000 1.000 545 G CA -0.270 44.901 45.100 0.120 0.000 0.693 545 G HN 0.242 nan 8.290 nan 0.000 0.515 546 Y N 0.534 120.821 120.300 -0.022 0.000 2.341 546 Y HA 0.678 5.229 4.550 0.002 0.000 0.338 546 Y C 0.623 176.487 175.900 -0.059 0.000 0.965 546 Y CA -0.450 57.644 58.100 -0.010 0.000 1.108 546 Y CB 1.869 40.265 38.460 -0.106 0.000 1.180 546 Y HN 0.490 nan 8.280 nan 0.000 0.458 547 A N 2.890 125.782 122.820 0.121 0.000 2.371 547 A HA 0.639 4.960 4.320 0.002 0.000 0.257 547 A C -0.803 176.863 177.584 0.138 0.000 1.089 547 A CA -0.398 51.697 52.037 0.096 0.000 0.794 547 A CB 0.275 19.427 19.000 0.254 0.000 1.029 547 A HN 0.529 nan 8.150 nan 0.000 0.488 548 V N 2.412 122.394 119.914 0.112 0.000 2.444 548 V HA 0.455 4.576 4.120 0.002 0.000 0.294 548 V C -0.840 175.431 176.094 0.295 0.000 1.022 548 V CA -0.269 62.138 62.300 0.178 0.000 0.850 548 V CB 1.111 32.969 31.823 0.059 0.000 0.992 548 V HN 0.777 nan 8.190 nan 0.000 0.426 549 F N 3.429 123.500 119.950 0.200 0.000 2.469 549 F HA 0.781 5.309 4.527 0.002 0.000 0.332 549 F C 0.093 176.042 175.800 0.247 0.000 1.103 549 F CA 0.093 58.218 58.000 0.209 0.000 0.979 549 F CB 2.049 41.157 39.000 0.181 0.000 1.137 549 F HN 0.464 nan 8.300 nan 0.000 0.463 550 T N 5.685 119.980 114.554 -0.431 0.000 2.886 550 T HA 0.547 4.898 4.350 0.002 0.000 0.292 550 T C -1.609 172.783 174.700 -0.515 0.000 1.012 550 T CA -0.617 61.325 62.100 -0.264 0.000 0.982 550 T CB 1.687 70.587 68.868 0.053 0.000 1.018 550 T HN 0.529 nan 8.240 nan 0.000 0.451 551 V N 2.664 122.425 119.914 -0.255 0.000 2.638 551 V HA 0.407 4.528 4.120 0.002 0.000 0.306 551 V C -1.154 174.981 176.094 0.067 0.000 1.052 551 V CA -0.867 61.382 62.300 -0.085 0.000 0.885 551 V CB 1.935 33.775 31.823 0.028 0.000 0.999 551 V HN 0.853 nan 8.190 nan 0.000 0.424 552 D N 5.083 125.555 120.400 0.120 0.000 2.416 552 D HA 0.228 4.869 4.640 0.002 0.000 0.240 552 D C 0.616 177.051 176.300 0.225 0.000 1.250 552 D CA 0.302 54.414 54.000 0.186 0.000 0.967 552 D CB 0.817 41.747 40.800 0.218 0.000 1.059 552 D HN 0.732 nan 8.370 nan 0.000 0.512 553 S N 2.143 117.930 115.700 0.144 0.000 2.617 553 S HA 0.295 4.766 4.470 0.002 0.000 0.259 553 S C 0.737 175.307 174.600 -0.050 0.000 1.301 553 S CA -0.785 57.452 58.200 0.061 0.000 0.984 553 S CB 1.485 64.690 63.200 0.009 0.000 0.954 553 S HN 0.309 nan 8.310 nan 0.000 0.572 554 R N -0.103 120.180 120.500 -0.362 0.000 2.594 554 R HA 0.449 4.790 4.340 0.002 0.000 0.272 554 R C 1.448 177.482 176.300 -0.443 0.000 1.074 554 R CA 0.904 56.454 56.100 -0.917 0.000 1.105 554 R CB 0.195 29.980 30.300 -0.858 0.000 1.008 554 R HN 1.059 nan 8.270 nan 0.000 0.472 555 G N 0.757 109.325 108.800 -0.387 0.000 2.313 555 G HA2 -0.315 3.646 3.960 0.002 0.000 0.215 555 G HA3 -0.315 3.646 3.960 0.002 0.000 0.215 555 G C 0.202 175.069 174.900 -0.054 0.000 1.023 555 G CA 0.078 45.062 45.100 -0.193 0.000 0.626 555 G HN 0.705 nan 8.290 nan 0.000 0.503 556 S N 0.761 116.538 115.700 0.128 0.000 2.626 556 S HA 0.790 5.261 4.470 0.002 0.000 0.257 556 S C 0.622 175.374 174.600 0.253 0.000 1.288 556 S CA 0.628 58.952 58.200 0.206 0.000 0.980 556 S CB 1.569 64.932 63.200 0.271 0.000 0.975 556 S HN 1.958 nan 8.310 nan 0.000 0.577 557 A N 0.044 122.956 122.820 0.153 0.000 2.269 557 A HA 0.677 4.998 4.320 0.002 0.000 0.327 557 A C 0.413 178.027 177.584 0.050 0.000 1.112 557 A CA -0.782 51.309 52.037 0.090 0.000 0.865 557 A CB -0.231 18.827 19.000 0.097 0.000 1.227 557 A HN 1.023 nan 8.150 nan 0.000 0.498 558 N N -0.679 118.049 118.700 0.047 0.000 2.776 558 N HA -0.122 4.619 4.740 0.002 0.000 0.250 558 N C 0.004 175.529 175.510 0.026 0.000 1.112 558 N CA 0.984 54.074 53.050 0.066 0.000 0.733 558 N CB -0.534 38.012 38.487 0.098 0.000 1.097 558 N HN 0.653 nan 8.380 nan 0.000 0.558 559 R N 0.106 120.547 120.500 -0.099 0.000 2.572 559 R HA 0.368 4.709 4.340 0.002 0.000 0.370 559 R C 1.150 177.277 176.300 -0.288 0.000 1.005 559 R CA 0.556 56.516 56.100 -0.234 0.000 1.146 559 R CB 0.484 30.159 30.300 -1.041 0.000 1.390 559 R HN 0.392 nan 8.270 nan 0.000 0.553 560 G N 0.205 108.777 108.800 -0.380 0.000 2.781 560 G HA2 -0.238 3.723 3.960 0.002 0.000 0.683 560 G HA3 -0.238 3.723 3.960 0.002 0.000 0.683 560 G C 0.655 175.231 174.900 -0.540 0.000 1.390 560 G CA -0.279 44.248 45.100 -0.955 0.000 0.850 560 G HN 0.171 nan 8.290 nan 0.000 0.557 561 A N -0.084 122.396 122.820 -0.567 0.000 1.930 561 A HA 0.372 4.693 4.320 0.002 0.000 0.217 561 A C 2.932 180.379 177.584 -0.227 0.000 1.175 561 A CA 3.184 55.036 52.037 -0.309 0.000 0.627 561 A CB -0.838 17.990 19.000 -0.288 0.000 0.815 561 A HN 2.468 nan 8.150 nan 0.000 0.443 562 A N -1.198 121.476 122.820 -0.244 0.000 1.898 562 A HA -0.036 4.285 4.320 0.002 0.000 0.216 562 A C 2.037 179.587 177.584 -0.056 0.000 1.181 562 A CA 1.468 53.432 52.037 -0.121 0.000 0.620 562 A CB -0.729 18.233 19.000 -0.063 0.000 0.819 562 A HN 0.637 nan 8.150 nan 0.000 0.442 563 F N 0.695 120.543 119.950 -0.171 0.000 2.126 563 F HA -0.193 4.335 4.527 0.002 0.000 0.299 563 F C 2.254 177.991 175.800 -0.105 0.000 1.096 563 F CA 2.281 60.217 58.000 -0.107 0.000 1.255 563 F CB -0.037 38.910 39.000 -0.088 0.000 0.997 563 F HN 0.453 nan 8.300 nan 0.000 0.479 564 E N -0.291 119.951 120.200 0.071 0.000 2.028 564 E HA -0.220 4.131 4.350 0.002 0.000 0.190 564 E C 2.038 178.593 176.600 -0.074 0.000 0.984 564 E CA 1.177 57.578 56.400 0.001 0.000 0.800 564 E CB -0.248 29.476 29.700 0.040 0.000 0.758 564 E HN 0.552 nan 8.360 nan 0.000 0.448 565 Q N 0.313 120.039 119.800 -0.123 0.000 2.436 565 Q HA -0.044 4.297 4.340 0.002 0.000 0.209 565 Q C 2.119 177.948 176.000 -0.285 0.000 0.965 565 Q CA 0.357 56.023 55.803 -0.228 0.000 0.910 565 Q CB 0.221 28.667 28.738 -0.486 0.000 0.980 565 Q HN 0.206 nan 8.270 nan 0.000 0.491 566 V N 2.099 121.886 119.914 -0.213 0.000 2.636 566 V HA -0.237 3.884 4.120 0.002 0.000 0.258 566 V C 1.890 177.903 176.094 -0.134 0.000 1.092 566 V CA 1.785 63.981 62.300 -0.172 0.000 1.110 566 V CB -0.428 31.292 31.823 -0.172 0.000 0.685 566 V HN 0.541 nan 8.190 nan 0.000 0.481 567 I N -2.603 117.894 120.570 -0.123 0.000 3.428 567 I HA 0.067 4.238 4.170 0.002 0.000 0.286 567 I C 1.357 177.428 176.117 -0.075 0.000 1.287 567 I CA 0.196 61.425 61.300 -0.119 0.000 1.396 567 I CB -0.809 37.092 38.000 -0.166 0.000 1.062 567 I HN 0.321 nan 8.210 nan 0.000 0.471 568 H N 3.973 122.986 119.070 -0.095 0.000 3.094 568 H HA -0.008 4.549 4.556 0.002 0.000 0.320 568 H C 0.384 175.744 175.328 0.053 0.000 1.000 568 H CA 0.877 56.936 56.048 0.018 0.000 1.413 568 H CB 0.403 30.157 29.762 -0.015 0.000 1.405 568 H HN 0.389 nan 8.280 nan 0.000 0.586 569 R N 2.300 122.614 120.500 -0.310 0.000 3.977 569 R HA -0.201 4.140 4.340 0.002 0.000 0.428 569 R C -0.010 176.369 176.300 0.131 0.000 1.079 569 R CA 1.651 57.720 56.100 -0.052 0.000 1.269 569 R CB -0.839 29.361 30.300 -0.166 0.000 1.856 569 R HN 0.731 nan 8.270 nan 0.000 0.551 570 R N 0.483 120.915 120.500 -0.114 0.000 2.635 570 R HA 0.278 4.619 4.340 0.002 0.000 0.393 570 R C -0.413 175.700 176.300 -0.313 0.000 1.070 570 R CA -0.486 55.562 56.100 -0.086 0.000 1.118 570 R CB 0.644 30.923 30.300 -0.036 0.000 1.341 570 R HN -0.018 nan 8.270 nan 0.000 0.628 571 L N 0.648 121.344 121.223 -0.878 0.000 2.559 571 L HA -0.014 4.327 4.340 0.002 0.000 0.282 571 L C 1.434 178.168 176.870 -0.227 0.000 1.232 571 L CA 1.443 55.792 54.840 -0.818 0.000 0.885 571 L CB 0.216 41.229 42.059 -1.743 0.000 1.131 571 L HN 0.780 nan 8.230 nan 0.000 0.498 572 G N 1.582 110.400 108.800 0.030 0.000 2.336 572 G HA2 -0.311 3.650 3.960 0.002 0.000 0.233 572 G HA3 -0.311 3.650 3.960 0.002 0.000 0.233 572 G C 0.879 175.768 174.900 -0.018 0.000 1.053 572 G CA 0.482 45.627 45.100 0.076 0.000 0.625 572 G HN 0.657 nan 8.290 nan 0.000 0.511 573 Q N -0.244 119.542 119.800 -0.023 0.000 1.965 573 Q HA -0.022 4.319 4.340 0.002 0.000 0.200 573 Q C 2.769 178.759 176.000 -0.016 0.000 0.981 573 Q CA 2.081 57.877 55.803 -0.011 0.000 0.834 573 Q CB -0.415 28.319 28.738 -0.006 0.000 0.900 573 Q HN 0.539 nan 8.270 nan 0.000 0.426 574 T N 1.296 115.824 114.554 -0.043 0.000 2.746 574 T HA -0.148 4.203 4.350 0.002 0.000 0.267 574 T C 1.559 176.226 174.700 -0.056 0.000 1.039 574 T CA 1.616 63.681 62.100 -0.058 0.000 1.142 574 T CB -0.218 68.590 68.868 -0.101 0.000 0.866 574 T HN 0.269 nan 8.240 nan 0.000 0.444 575 E N 1.250 121.418 120.200 -0.053 0.000 2.058 575 E HA -0.087 4.264 4.350 0.002 0.000 0.194 575 E C 2.175 178.766 176.600 -0.014 0.000 0.997 575 E CA 1.230 57.608 56.400 -0.036 0.000 0.801 575 E CB -0.372 29.333 29.700 0.008 0.000 0.746 575 E HN 0.455 nan 8.360 nan 0.000 0.450 576 M N 0.063 119.657 119.600 -0.010 0.000 2.132 576 M HA -0.111 4.370 4.480 0.002 0.000 0.263 576 M C 2.422 178.761 176.300 0.066 0.000 1.065 576 M CA 1.478 56.796 55.300 0.031 0.000 1.122 576 M CB -0.332 32.300 32.600 0.053 0.000 1.365 576 M HN 0.218 nan 8.290 nan 0.000 0.411 577 A N 0.497 123.348 122.820 0.052 0.000 1.908 577 A HA -0.207 4.114 4.320 0.002 0.000 0.218 577 A C 1.667 179.263 177.584 0.020 0.000 1.181 577 A CA 2.155 54.216 52.037 0.041 0.000 0.627 577 A CB -0.759 18.256 19.000 0.026 0.000 0.818 577 A HN 0.400 nan 8.150 nan 0.000 0.445 578 D N -0.552 119.853 120.400 0.008 0.000 2.144 578 D HA -0.109 4.532 4.640 0.002 0.000 0.200 578 D C 2.163 178.501 176.300 0.063 0.000 0.978 578 D CA 1.043 55.053 54.000 0.018 0.000 0.833 578 D CB -0.279 40.512 40.800 -0.014 0.000 0.961 578 D HN 0.387 nan 8.370 nan 0.000 0.470 579 Q N -0.327 119.516 119.800 0.072 0.000 2.170 579 Q HA -0.040 4.301 4.340 0.002 0.000 0.203 579 Q C 1.993 178.075 176.000 0.137 0.000 0.976 579 Q CA 0.702 56.583 55.803 0.131 0.000 0.858 579 Q CB -0.191 28.610 28.738 0.104 0.000 0.907 579 Q HN 0.330 nan 8.270 nan 0.000 0.433 580 M N -0.516 119.119 119.600 0.059 0.000 2.374 580 M HA -0.105 4.376 4.480 0.002 0.000 0.264 580 M C 2.188 178.478 176.300 -0.016 0.000 1.067 580 M CA 0.612 55.895 55.300 -0.028 0.000 1.103 580 M CB -1.258 31.245 32.600 -0.162 0.000 1.402 580 M HN 0.215 nan 8.290 nan 0.000 0.444 581 C N -0.075 119.241 119.300 0.026 0.000 2.440 581 C HA -0.006 4.455 4.460 0.002 0.000 0.278 581 C C 2.876 177.906 174.990 0.068 0.000 1.295 581 C CA 0.857 59.899 59.018 0.038 0.000 1.738 581 C CB -1.738 26.030 27.740 0.047 0.000 1.987 581 C HN 0.667 nan 8.230 nan 0.000 0.492 582 G N 0.520 109.398 108.800 0.131 0.000 2.440 582 G HA2 -0.165 3.796 3.960 0.002 0.000 0.218 582 G HA3 -0.165 3.796 3.960 0.002 0.000 0.218 582 G C 1.663 176.495 174.900 -0.114 0.000 1.154 582 G CA 1.373 46.582 45.100 0.180 0.000 0.767 582 G HN 0.399 nan 8.290 nan 0.000 0.552 583 V N 1.280 121.158 119.914 -0.059 0.000 2.358 583 V HA -0.130 3.991 4.120 0.002 0.000 0.246 583 V C 2.576 178.550 176.094 -0.200 0.000 1.047 583 V CA 2.019 64.218 62.300 -0.169 0.000 1.035 583 V CB -0.412 31.312 31.823 -0.164 0.000 0.658 583 V HN 0.261 nan 8.190 nan 0.000 0.452 584 D N -0.139 120.187 120.400 -0.124 0.000 2.116 584 D HA -0.233 4.408 4.640 0.002 0.000 0.193 584 D C 1.893 178.121 176.300 -0.119 0.000 0.998 584 D CA 1.639 55.575 54.000 -0.108 0.000 0.836 584 D CB -0.388 40.384 40.800 -0.047 0.000 0.951 584 D HN 0.472 nan 8.370 nan 0.000 0.449 585 F N 1.312 121.120 119.950 -0.237 0.000 2.102 585 F HA -0.144 4.384 4.527 0.002 0.000 0.298 585 F C 2.203 177.766 175.800 -0.395 0.000 1.105 585 F CA 1.134 58.963 58.000 -0.284 0.000 1.239 585 F CB -0.403 38.403 39.000 -0.323 0.000 0.991 585 F HN -0.108 nan 8.300 nan 0.000 0.474 586 L N 0.261 121.136 121.223 -0.580 0.000 2.012 586 L HA -0.268 4.073 4.340 0.002 0.000 0.210 586 L C 2.456 178.935 176.870 -0.651 0.000 1.073 586 L CA 1.819 56.223 54.840 -0.727 0.000 0.748 586 L CB -0.720 40.995 42.059 -0.574 0.000 0.891 586 L HN 0.102 nan 8.230 nan 0.000 0.431 587 K N -0.574 119.551 120.400 -0.458 0.000 2.211 587 K HA -0.089 4.232 4.320 0.002 0.000 0.203 587 K C 2.132 178.514 176.600 -0.362 0.000 1.050 587 K CA 1.155 57.220 56.287 -0.369 0.000 0.945 587 K CB -0.072 32.271 32.500 -0.262 0.000 0.732 587 K HN 0.152 nan 8.250 nan 0.000 0.451 588 S N 1.057 116.519 115.700 -0.397 0.000 2.469 588 S HA -0.060 4.411 4.470 0.002 0.000 0.238 588 S C 0.484 174.839 174.600 -0.408 0.000 0.998 588 S CA 0.839 58.829 58.200 -0.350 0.000 0.957 588 S CB -0.021 62.981 63.200 -0.330 0.000 0.764 588 S HN 0.261 nan 8.310 nan 0.000 0.514 589 Q N 1.233 120.667 119.800 -0.610 0.000 2.286 589 Q HA 0.221 4.562 4.340 0.002 0.000 0.257 589 Q C 1.236 176.916 176.000 -0.535 0.000 0.941 589 Q CA -0.072 55.337 55.803 -0.656 0.000 0.912 589 Q CB 1.240 29.294 28.738 -1.141 0.000 1.192 589 Q HN 0.395 nan 8.270 nan 0.000 0.410 590 S N 2.447 117.991 115.700 -0.261 0.000 2.402 590 S HA -0.093 4.378 4.470 0.002 0.000 0.229 590 S C 1.247 175.819 174.600 -0.048 0.000 1.021 590 S CA 0.721 58.858 58.200 -0.106 0.000 0.974 590 S CB -0.293 62.924 63.200 0.028 0.000 0.800 590 S HN 0.843 nan 8.310 nan 0.000 0.484 591 W N 1.530 122.877 121.300 0.079 0.000 3.180 591 W HA 0.459 5.121 4.660 0.002 0.000 0.254 591 W C -0.550 176.079 176.519 0.184 0.000 1.318 591 W CA -0.613 56.850 57.345 0.196 0.000 1.608 591 W CB -0.694 29.032 29.460 0.443 0.000 1.124 591 W HN -0.014 nan 8.180 nan 0.000 0.694 592 V N 3.462 123.086 119.914 -0.484 0.000 2.432 592 V HA 0.009 4.130 4.120 0.002 0.000 0.275 592 V C 0.025 176.001 176.094 -0.197 0.000 1.043 592 V CA -0.148 61.879 62.300 -0.456 0.000 0.925 592 V CB 1.197 32.563 31.823 -0.762 0.000 0.985 592 V HN -0.122 nan 8.190 nan 0.000 0.466 593 D N 4.490 124.843 120.400 -0.079 0.000 2.374 593 D HA 0.275 4.916 4.640 0.002 0.000 0.240 593 D C 0.985 177.226 176.300 -0.100 0.000 1.229 593 D CA 0.066 54.022 54.000 -0.074 0.000 0.895 593 D CB 1.609 42.384 40.800 -0.041 0.000 1.046 593 D HN 0.620 nan 8.370 nan 0.000 0.498 594 A N 3.838 126.580 122.820 -0.130 0.000 2.178 594 A HA -0.142 4.179 4.320 0.002 0.000 0.218 594 A C 1.366 178.886 177.584 -0.107 0.000 1.157 594 A CA 0.936 52.886 52.037 -0.145 0.000 0.689 594 A CB 0.112 19.020 19.000 -0.153 0.000 0.787 594 A HN 0.467 nan 8.150 nan 0.000 0.465 595 D N -0.884 119.475 120.400 -0.069 0.000 2.349 595 D HA 0.082 4.723 4.640 0.002 0.000 0.214 595 D C 0.535 176.831 176.300 -0.007 0.000 1.063 595 D CA 0.305 54.281 54.000 -0.041 0.000 0.847 595 D CB 0.136 40.919 40.800 -0.029 0.000 0.933 595 D HN 0.414 nan 8.370 nan 0.000 0.513 596 R N 0.686 121.185 120.500 -0.000 0.000 3.026 596 R HA 0.397 4.738 4.340 0.002 0.000 0.317 596 R C -0.224 176.128 176.300 0.086 0.000 1.278 596 R CA -0.206 55.930 56.100 0.061 0.000 1.407 596 R CB 0.885 31.216 30.300 0.052 0.000 1.368 596 R HN -0.020 nan 8.270 nan 0.000 0.612 597 I N 0.699 121.302 120.570 0.055 0.000 2.331 597 I HA 0.358 4.529 4.170 0.002 0.000 0.292 597 I C 0.782 177.039 176.117 0.234 0.000 0.998 597 I CA -0.384 60.957 61.300 0.068 0.000 1.267 597 I CB 1.722 39.646 38.000 -0.127 0.000 1.386 597 I HN 0.278 nan 8.210 nan 0.000 0.476 598 G N 4.699 113.709 108.800 0.350 0.000 2.932 598 G HA2 0.705 4.666 3.960 0.002 0.000 0.283 598 G HA3 0.705 4.666 3.960 0.002 0.000 0.283 598 G C -1.509 173.720 174.900 0.549 0.000 1.336 598 G CA -0.560 44.853 45.100 0.521 0.000 1.056 598 G HN 0.404 nan 8.290 nan 0.000 0.522 599 V N -0.563 119.666 119.914 0.526 0.000 2.851 599 V HA 0.728 4.849 4.120 0.002 0.000 0.307 599 V C -1.883 174.451 176.094 0.400 0.000 1.129 599 V CA -0.732 61.750 62.300 0.305 0.000 0.932 599 V CB 1.994 33.759 31.823 -0.096 0.000 1.024 599 V HN 1.182 nan 8.190 nan 0.000 0.426 600 H N 3.599 122.752 119.070 0.139 0.000 2.894 600 H HA 0.902 5.459 4.556 0.002 0.000 0.367 600 H C -0.402 174.765 175.328 -0.268 0.000 1.144 600 H CA 0.250 56.331 56.048 0.054 0.000 1.180 600 H CB 2.237 32.055 29.762 0.093 0.000 1.758 600 H HN 1.153 nan 8.280 nan 0.000 0.541 601 G N 2.098 110.410 108.800 -0.813 0.000 2.576 601 G HA2 0.288 4.249 3.960 0.002 0.000 0.290 601 G HA3 0.288 4.249 3.960 0.002 0.000 0.290 601 G C -2.138 172.490 174.900 -0.454 0.000 1.442 601 G CA -0.883 43.707 45.100 -0.851 0.000 0.792 601 G HN 0.453 nan 8.290 nan 0.000 0.491 602 W N 0.807 121.898 121.300 -0.349 0.000 2.656 602 W HA 0.549 5.210 4.660 0.002 0.000 0.327 602 W C 0.647 177.155 176.519 -0.017 0.000 1.041 602 W CA 0.561 57.799 57.345 -0.179 0.000 1.229 602 W CB 1.916 31.292 29.460 -0.140 0.000 1.397 602 W HN 1.175 nan 8.180 nan 0.000 0.479 603 S N 2.592 118.178 115.700 -0.191 0.000 4.122 603 S HA -0.398 4.073 4.470 0.002 0.000 0.626 603 S C 1.009 175.589 174.600 -0.034 0.000 1.919 603 S CA 1.392 59.637 58.200 0.075 0.000 4.206 603 S CB -1.828 61.694 63.200 0.537 0.000 0.206 603 S HN 0.715 nan 8.310 nan 0.000 0.522 604 Y N 2.129 122.366 120.300 -0.105 0.000 2.193 604 Y HA -0.040 4.511 4.550 0.002 0.000 0.285 604 Y C 2.342 178.072 175.900 -0.284 0.000 1.166 604 Y CA 2.638 60.577 58.100 -0.268 0.000 1.181 604 Y CB -0.879 37.212 38.460 -0.614 0.000 0.976 604 Y HN 0.546 nan 8.280 nan 0.000 0.520 605 G N -1.284 107.428 108.800 -0.147 0.000 2.471 605 G HA2 -0.168 3.794 3.960 0.002 0.000 0.219 605 G HA3 -0.168 3.794 3.960 0.002 0.000 0.219 605 G C 1.804 176.551 174.900 -0.255 0.000 1.125 605 G CA 0.692 45.689 45.100 -0.172 0.000 0.775 605 G HN 0.564 nan 8.290 nan 0.000 0.548 606 G N 0.468 109.113 108.800 -0.258 0.000 2.396 606 G HA2 -0.079 3.882 3.960 0.002 0.000 0.214 606 G HA3 -0.079 3.882 3.960 0.002 0.000 0.214 606 G C 1.524 176.251 174.900 -0.287 0.000 1.166 606 G CA 0.641 45.541 45.100 -0.332 0.000 0.793 606 G HN 0.385 nan 8.290 nan 0.000 0.533 607 F N 1.091 120.795 119.950 -0.410 0.000 2.063 607 F HA -0.208 4.320 4.527 0.002 0.000 0.298 607 F C 2.660 178.265 175.800 -0.325 0.000 1.109 607 F CA 1.854 59.617 58.000 -0.394 0.000 1.212 607 F CB 0.048 38.757 39.000 -0.485 0.000 0.973 607 F HN 0.008 nan 8.300 nan 0.000 0.480 608 M N 0.270 119.528 119.600 -0.569 0.000 2.086 608 M HA -0.170 4.311 4.480 0.002 0.000 0.261 608 M C 2.213 178.224 176.300 -0.482 0.000 1.067 608 M CA 2.033 56.979 55.300 -0.590 0.000 1.116 608 M CB -1.712 30.699 32.600 -0.314 0.000 1.348 608 M HN 0.170 nan 8.290 nan 0.000 0.407 609 T N 0.784 115.107 114.554 -0.386 0.000 2.635 609 T HA -0.160 4.191 4.350 0.002 0.000 0.267 609 T C 1.814 176.317 174.700 -0.327 0.000 1.040 609 T CA 2.290 64.191 62.100 -0.330 0.000 1.156 609 T CB -0.433 68.293 68.868 -0.238 0.000 0.863 609 T HN 0.424 nan 8.240 nan 0.000 0.430 610 T N 1.988 116.330 114.554 -0.354 0.000 2.737 610 T HA -0.093 4.259 4.350 0.002 0.000 0.265 610 T C 2.061 176.569 174.700 -0.320 0.000 1.038 610 T CA 1.032 62.920 62.100 -0.353 0.000 1.144 610 T CB -0.432 68.138 68.868 -0.496 0.000 0.866 610 T HN 0.248 nan 8.240 nan 0.000 0.434 611 N N 1.176 119.617 118.700 -0.431 0.000 2.120 611 N HA -0.005 4.736 4.740 0.002 0.000 0.188 611 N C 1.813 177.168 175.510 -0.258 0.000 1.024 611 N CA 1.063 53.883 53.050 -0.383 0.000 0.852 611 N CB -0.531 37.556 38.487 -0.666 0.000 1.003 611 N HN 0.343 nan 8.380 nan 0.000 0.424 612 L N 0.093 121.135 121.223 -0.301 0.000 2.012 612 L HA -0.145 4.196 4.340 0.002 0.000 0.210 612 L C 2.503 179.334 176.870 -0.065 0.000 1.073 612 L CA 1.070 55.770 54.840 -0.233 0.000 0.748 612 L CB -0.306 41.371 42.059 -0.636 0.000 0.891 612 L HN 0.238 nan 8.230 nan 0.000 0.431 613 M N -0.830 118.712 119.600 -0.097 0.000 2.159 613 M HA -0.212 4.269 4.480 0.002 0.000 0.263 613 M C 2.204 178.554 176.300 0.083 0.000 1.063 613 M CA 1.684 57.030 55.300 0.077 0.000 1.110 613 M CB -0.285 32.348 32.600 0.056 0.000 1.374 613 M HN 0.281 nan 8.290 nan 0.000 0.411 614 L N -1.274 119.958 121.223 0.015 0.000 2.179 614 L HA -0.079 4.262 4.340 0.002 0.000 0.208 614 L C 2.238 179.095 176.870 -0.021 0.000 1.096 614 L CA 0.920 55.776 54.840 0.027 0.000 0.779 614 L CB -0.733 41.347 42.059 0.036 0.000 0.922 614 L HN 0.261 nan 8.230 nan 0.000 0.443 615 T N -2.510 111.989 114.554 -0.092 0.000 2.976 615 T HA 0.012 4.363 4.350 0.002 0.000 0.257 615 T C 0.771 175.221 174.700 -0.417 0.000 1.051 615 T CA 0.759 62.696 62.100 -0.271 0.000 1.141 615 T CB 0.021 68.664 68.868 -0.375 0.000 0.881 615 T HN 0.239 nan 8.240 nan 0.000 0.461 616 H N 0.296 119.450 119.070 0.140 0.000 2.471 616 H HA 0.405 4.962 4.556 0.002 0.000 0.234 616 H C 1.495 176.947 175.328 0.207 0.000 1.388 616 H CA -0.475 55.684 56.048 0.185 0.000 1.198 616 H CB 0.147 30.086 29.762 0.295 0.000 1.714 616 H HN 0.322 nan 8.280 nan 0.000 0.536 617 G N 0.278 109.193 108.800 0.191 0.000 2.470 617 G HA2 -0.212 3.749 3.960 0.002 0.000 0.220 617 G HA3 -0.212 3.749 3.960 0.002 0.000 0.220 617 G C 1.101 176.077 174.900 0.128 0.000 1.121 617 G CA 0.366 45.564 45.100 0.164 0.000 0.766 617 G HN 0.309 nan 8.290 nan 0.000 0.553 618 D N -0.242 120.218 120.400 0.100 0.000 2.289 618 D HA 0.019 4.660 4.640 0.002 0.000 0.207 618 D C 2.520 178.817 176.300 -0.006 0.000 0.966 618 D CA 0.285 54.312 54.000 0.045 0.000 0.868 618 D CB 0.409 41.230 40.800 0.034 0.000 0.943 618 D HN 0.284 nan 8.370 nan 0.000 0.514 619 V N -0.074 119.818 119.914 -0.036 0.000 2.521 619 V HA 0.040 4.161 4.120 0.002 0.000 0.239 619 V C 0.540 176.433 176.094 -0.335 0.000 1.053 619 V CA 0.508 62.647 62.300 -0.268 0.000 1.073 619 V CB -0.159 31.358 31.823 -0.509 0.000 0.746 619 V HN -0.037 nan 8.190 nan 0.000 0.476 620 F N 1.423 121.431 119.950 0.096 0.000 2.413 620 F HA 0.361 4.889 4.527 0.002 0.000 0.359 620 F C 1.368 177.243 175.800 0.126 0.000 1.122 620 F CA -0.374 57.697 58.000 0.119 0.000 1.160 620 F CB 0.774 39.850 39.000 0.126 0.000 1.146 620 F HN -0.120 nan 8.300 nan 0.000 0.514 621 K N 1.934 122.487 120.400 0.256 0.000 2.137 621 K HA 0.185 4.506 4.320 0.002 0.000 0.202 621 K C 0.103 176.841 176.600 0.229 0.000 1.052 621 K CA 0.664 57.070 56.287 0.200 0.000 0.961 621 K CB 0.333 32.930 32.500 0.161 0.000 0.741 621 K HN 0.323 nan 8.250 nan 0.000 0.452 622 V N -0.203 119.905 119.914 0.323 0.000 2.808 622 V HA 0.626 4.747 4.120 0.002 0.000 0.308 622 V C -0.183 176.170 176.094 0.432 0.000 1.099 622 V CA -1.011 61.480 62.300 0.318 0.000 0.920 622 V CB 2.023 34.038 31.823 0.319 0.000 1.014 622 V HN 0.298 nan 8.190 nan 0.000 0.425 623 G N 1.845 110.818 108.800 0.289 0.000 2.642 623 G HA2 0.716 4.677 3.960 0.002 0.000 0.293 623 G HA3 0.716 4.677 3.960 0.002 0.000 0.293 623 G C -1.855 173.080 174.900 0.058 0.000 1.341 623 G CA -0.696 44.568 45.100 0.273 0.000 0.916 623 G HN 0.590 nan 8.290 nan 0.000 0.474 624 V N 0.499 120.483 119.914 0.116 0.000 2.443 624 V HA 0.689 4.810 4.120 0.002 0.000 0.293 624 V C 0.105 176.273 176.094 0.124 0.000 1.021 624 V CA -0.754 61.533 62.300 -0.021 0.000 0.848 624 V CB 1.299 33.034 31.823 -0.147 0.000 0.998 624 V HN 1.178 nan 8.190 nan 0.000 0.424 625 A N 3.762 126.534 122.820 -0.080 0.000 2.256 625 A HA 0.825 5.146 4.320 0.002 0.000 0.317 625 A C 0.376 177.711 177.584 -0.415 0.000 1.318 625 A CA -0.108 51.795 52.037 -0.224 0.000 0.894 625 A CB 0.837 19.681 19.000 -0.259 0.000 1.165 625 A HN 1.008 nan 8.150 nan 0.000 0.525 626 G N 0.748 109.100 108.800 -0.747 0.000 2.371 626 G HA2 0.537 4.499 3.960 0.002 0.000 0.326 626 G HA3 0.537 4.499 3.960 0.002 0.000 0.326 626 G C 0.879 174.647 174.900 -1.886 0.000 1.127 626 G CA 0.027 44.079 45.100 -1.746 0.000 0.885 626 G HN 2.008 nan 8.290 nan 0.000 0.477 627 G N 2.203 110.073 108.800 -1.551 0.000 2.421 627 G HA2 -0.208 3.753 3.960 0.002 0.000 0.300 627 G HA3 -0.208 3.753 3.960 0.002 0.000 0.300 627 G C -1.650 172.872 174.900 -0.630 0.000 0.974 627 G CA 0.134 44.580 45.100 -1.092 0.000 1.062 627 G HN 0.673 nan 8.290 nan 0.000 0.514 628 P HA 0.371 nan 4.420 nan 0.000 0.280 628 P C 0.438 177.514 177.300 -0.373 0.000 1.244 628 P CA -0.253 62.624 63.100 -0.372 0.000 0.784 628 P CB 1.681 33.191 31.700 -0.317 0.000 0.913 629 V N 5.550 125.140 119.914 -0.539 0.000 2.572 629 V HA 0.045 4.166 4.120 0.002 0.000 0.291 629 V C 1.746 177.589 176.094 -0.417 0.000 1.039 629 V CA 0.635 62.411 62.300 -0.873 0.000 1.055 629 V CB 0.321 31.199 31.823 -1.575 0.000 0.969 629 V HN 0.542 nan 8.190 nan 0.000 0.482 630 I N 1.385 121.902 120.570 -0.089 0.000 4.197 630 I HA 0.238 4.409 4.170 0.002 0.000 0.307 630 I C 0.165 176.359 176.117 0.128 0.000 1.236 630 I CA 0.398 61.751 61.300 0.088 0.000 1.321 630 I CB 0.741 38.833 38.000 0.153 0.000 1.309 630 I HN 0.607 nan 8.210 nan 0.000 0.450 631 D N -0.422 120.067 120.400 0.147 0.000 2.469 631 D HA 0.131 4.772 4.640 0.002 0.000 0.251 631 D C 0.088 176.484 176.300 0.161 0.000 1.173 631 D CA -0.587 53.495 54.000 0.137 0.000 0.882 631 D CB 0.768 41.606 40.800 0.062 0.000 1.129 631 D HN 0.014 nan 8.370 nan 0.000 0.549 632 W N 2.563 123.992 121.300 0.215 0.000 2.525 632 W HA 0.026 4.687 4.660 0.002 0.000 0.259 632 W C 1.997 178.788 176.519 0.453 0.000 1.253 632 W CA 0.378 57.881 57.345 0.263 0.000 1.262 632 W CB -0.361 29.165 29.460 0.110 0.000 1.122 632 W HN 0.518 nan 8.180 nan 0.000 0.607 633 N N 0.422 119.474 118.700 0.587 0.000 2.364 633 N HA -0.143 4.598 4.740 0.002 0.000 0.183 633 N C 1.422 177.099 175.510 0.278 0.000 1.022 633 N CA 0.749 54.029 53.050 0.382 0.000 0.883 633 N CB -0.034 38.560 38.487 0.177 0.000 0.965 633 N HN 0.141 nan 8.380 nan 0.000 0.438 634 R N -1.181 119.471 120.500 0.253 0.000 2.393 634 R HA 0.061 4.402 4.340 0.002 0.000 0.244 634 R C -0.535 176.009 176.300 0.406 0.000 0.920 634 R CA -0.263 55.942 56.100 0.174 0.000 1.076 634 R CB 0.258 30.454 30.300 -0.172 0.000 1.119 634 R HN 0.200 nan 8.270 nan 0.000 0.524 635 Y N 2.372 122.881 120.300 0.348 0.000 2.374 635 Y HA 0.060 4.611 4.550 0.002 0.000 0.322 635 Y C 0.528 176.684 175.900 0.426 0.000 1.275 635 Y CA -1.461 56.861 58.100 0.369 0.000 1.307 635 Y CB 0.730 39.288 38.460 0.162 0.000 1.282 635 Y HN 0.081 nan 8.280 nan 0.000 0.509 636 E N 2.268 122.314 120.200 -0.257 0.000 2.404 636 E HA 0.088 4.439 4.350 0.002 0.000 0.261 636 E C 0.621 177.233 176.600 0.021 0.000 1.074 636 E CA -0.219 55.981 56.400 -0.333 0.000 0.917 636 E CB 0.762 30.041 29.700 -0.702 0.000 0.965 636 E HN 0.753 nan 8.360 nan 0.000 0.433 637 I N 0.768 121.331 120.570 -0.012 0.000 2.151 637 I HA -0.354 3.817 4.170 0.002 0.000 0.243 637 I C 2.102 178.288 176.117 0.114 0.000 1.080 637 I CA 1.700 63.059 61.300 0.097 0.000 1.339 637 I CB -0.246 37.797 38.000 0.073 0.000 1.039 637 I HN 0.618 nan 8.210 nan 0.000 0.409 638 M N -0.732 118.869 119.600 0.002 0.000 2.073 638 M HA -0.185 4.296 4.480 0.002 0.000 0.259 638 M C 2.365 178.635 176.300 -0.050 0.000 1.079 638 M CA 1.902 57.128 55.300 -0.123 0.000 1.131 638 M CB -1.085 31.322 32.600 -0.323 0.000 1.316 638 M HN 0.118 nan 8.290 nan 0.000 0.415 639 Y N 0.749 121.025 120.300 -0.040 0.000 2.097 639 Y HA -0.184 4.367 4.550 0.002 0.000 0.282 639 Y C 2.280 178.361 175.900 0.301 0.000 1.152 639 Y CA 1.896 60.094 58.100 0.164 0.000 1.136 639 Y CB -0.736 37.974 38.460 0.416 0.000 0.975 639 Y HN 0.215 nan 8.280 nan 0.000 0.498 640 G N -0.318 108.916 108.800 0.724 0.000 2.433 640 G HA2 -0.259 3.702 3.960 0.002 0.000 0.216 640 G HA3 -0.259 3.702 3.960 0.002 0.000 0.216 640 G C 1.399 176.559 174.900 0.433 0.000 1.186 640 G CA 1.102 46.662 45.100 0.767 0.000 0.779 640 G HN 0.534 nan 8.290 nan 0.000 0.543 641 E N -0.178 120.211 120.200 0.314 0.000 2.274 641 E HA -0.028 4.323 4.350 0.002 0.000 0.194 641 E C 2.415 179.084 176.600 0.115 0.000 0.996 641 E CA 0.096 56.650 56.400 0.256 0.000 0.840 641 E CB -0.016 29.825 29.700 0.234 0.000 0.772 641 E HN 0.397 nan 8.360 nan 0.000 0.491 642 R N 0.568 120.993 120.500 -0.126 0.000 2.088 642 R HA -0.190 4.151 4.340 0.002 0.000 0.232 642 R C 1.787 177.761 176.300 -0.543 0.000 1.136 642 R CA 1.767 57.568 56.100 -0.499 0.000 0.926 642 R CB -0.264 29.386 30.300 -1.083 0.000 0.837 642 R HN 0.222 nan 8.270 nan 0.000 0.429 643 Y N -1.899 118.236 120.300 -0.275 0.000 2.457 643 Y HA -0.033 4.518 4.550 0.002 0.000 0.292 643 Y C 1.667 177.571 175.900 0.006 0.000 1.125 643 Y CA 0.203 58.198 58.100 -0.175 0.000 1.254 643 Y CB 0.147 38.348 38.460 -0.433 0.000 1.012 643 Y HN 0.143 nan 8.280 nan 0.000 0.555 644 F N -0.150 119.798 119.950 -0.004 0.000 2.746 644 F HA 0.216 4.744 4.527 0.002 0.000 0.313 644 F C 0.043 175.869 175.800 0.043 0.000 1.095 644 F CA -0.491 57.434 58.000 -0.124 0.000 1.224 644 F CB -0.054 38.727 39.000 -0.365 0.000 1.060 644 F HN -0.103 nan 8.300 nan 0.000 0.584 645 D N -0.469 120.120 120.400 0.315 0.000 5.377 645 D HA -0.166 4.475 4.640 0.002 0.000 0.315 645 D C -0.062 176.426 176.300 0.313 0.000 2.498 645 D CA 1.026 55.191 54.000 0.274 0.000 1.245 645 D CB -0.571 40.339 40.800 0.182 0.000 1.150 645 D HN 0.274 nan 8.370 nan 0.000 1.307 646 A N 0.416 123.332 122.820 0.161 0.000 2.322 646 A HA 0.546 4.867 4.320 0.002 0.000 0.269 646 A C -1.456 175.994 177.584 -0.223 0.000 1.094 646 A CA -0.580 51.478 52.037 0.035 0.000 0.807 646 A CB 0.502 19.507 19.000 0.009 0.000 1.047 646 A HN 0.332 nan 8.150 nan 0.000 0.487 647 P HA -0.159 nan 4.420 nan 0.000 0.216 647 P C 0.901 177.930 177.300 -0.452 0.000 1.150 647 P CA 1.363 63.821 63.100 -1.071 0.000 0.837 647 P CB 0.123 31.305 31.700 -0.863 0.000 0.786 648 Q N -0.250 119.398 119.800 -0.254 0.000 2.291 648 Q HA -0.130 4.211 4.340 0.002 0.000 0.205 648 Q C 1.796 177.738 176.000 -0.095 0.000 0.970 648 Q CA 1.259 56.977 55.803 -0.142 0.000 0.876 648 Q CB -0.687 27.996 28.738 -0.091 0.000 0.935 648 Q HN 0.455 nan 8.270 nan 0.000 0.455 649 E N -0.381 119.771 120.200 -0.081 0.000 2.400 649 E HA 0.025 4.376 4.350 0.002 0.000 0.195 649 E C 0.180 176.774 176.600 -0.009 0.000 1.012 649 E CA 0.245 56.632 56.400 -0.023 0.000 0.875 649 E CB 0.331 30.042 29.700 0.018 0.000 0.859 649 E HN 0.104 nan 8.360 nan 0.000 0.498 650 N N 0.153 118.833 118.700 -0.035 0.000 2.664 650 N HA 0.085 4.826 4.740 0.002 0.000 0.287 650 N C -2.187 173.324 175.510 0.002 0.000 1.869 650 N CA -1.642 51.419 53.050 0.019 0.000 0.832 650 N CB 0.695 39.240 38.487 0.096 0.000 1.293 650 N HN -0.148 nan 8.380 nan 0.000 0.498 651 P HA -0.114 nan 4.420 nan 0.000 0.218 651 P C 0.771 178.086 177.300 0.025 0.000 1.149 651 P CA 1.165 64.246 63.100 -0.031 0.000 0.817 651 P CB 0.664 32.342 31.700 -0.037 0.000 0.785 652 E N -0.198 120.023 120.200 0.035 0.000 2.072 652 E HA -0.083 4.268 4.350 0.002 0.000 0.191 652 E C 2.381 179.030 176.600 0.082 0.000 0.985 652 E CA 1.248 57.680 56.400 0.053 0.000 0.801 652 E CB -0.726 29.004 29.700 0.049 0.000 0.750 652 E HN 0.278 nan 8.360 nan 0.000 0.452 653 G N 0.161 109.016 108.800 0.091 0.000 2.404 653 G HA2 -0.249 3.712 3.960 0.002 0.000 0.215 653 G HA3 -0.249 3.712 3.960 0.002 0.000 0.215 653 G C 1.185 176.108 174.900 0.040 0.000 1.174 653 G CA 0.556 45.760 45.100 0.174 0.000 0.780 653 G HN 0.212 nan 8.290 nan 0.000 0.537 654 Y N 1.241 121.263 120.300 -0.463 0.000 2.128 654 Y HA -0.132 4.419 4.550 0.002 0.000 0.284 654 Y C 2.799 178.676 175.900 -0.038 0.000 1.154 654 Y CA 1.542 59.355 58.100 -0.478 0.000 1.149 654 Y CB -0.022 38.184 38.460 -0.424 0.000 0.976 654 Y HN 0.133 nan 8.280 nan 0.000 0.505 655 D N -0.483 119.998 120.400 0.135 0.000 2.144 655 D HA -0.176 4.465 4.640 0.002 0.000 0.199 655 D C 2.179 178.565 176.300 0.144 0.000 0.984 655 D CA 1.361 55.436 54.000 0.125 0.000 0.834 655 D CB -0.484 40.365 40.800 0.081 0.000 0.955 655 D HN 0.363 nan 8.370 nan 0.000 0.465 656 A N 0.467 123.378 122.820 0.152 0.000 1.969 656 A HA 0.081 4.402 4.320 0.002 0.000 0.218 656 A C 2.120 179.832 177.584 0.213 0.000 1.169 656 A CA 1.688 53.818 52.037 0.154 0.000 0.635 656 A CB -0.284 18.796 19.000 0.134 0.000 0.810 656 A HN 0.217 nan 8.150 nan 0.000 0.445 657 A N -0.556 122.453 122.820 0.316 0.000 2.275 657 A HA 0.128 4.449 4.320 0.002 0.000 0.212 657 A C 0.905 178.775 177.584 0.478 0.000 1.201 657 A CA 0.049 52.358 52.037 0.454 0.000 0.843 657 A CB -0.376 18.942 19.000 0.530 0.000 0.873 657 A HN 0.390 nan 8.150 nan 0.000 0.492 658 N N 1.436 120.336 118.700 0.333 0.000 2.415 658 N HA 0.193 4.934 4.740 0.002 0.000 0.250 658 N C 0.609 176.263 175.510 0.240 0.000 1.127 658 N CA -0.106 53.114 53.050 0.283 0.000 0.945 658 N CB 0.226 38.841 38.487 0.213 0.000 1.196 658 N HN 0.361 nan 8.380 nan 0.000 0.499 659 L N 3.145 124.526 121.223 0.263 0.000 2.376 659 L HA -0.077 4.264 4.340 0.002 0.000 0.219 659 L C 1.850 178.915 176.870 0.326 0.000 1.133 659 L CA 0.504 55.496 54.840 0.253 0.000 0.816 659 L CB -0.184 41.969 42.059 0.157 0.000 0.933 659 L HN 0.509 nan 8.230 nan 0.000 0.449 660 L N -0.079 121.297 121.223 0.255 0.000 2.131 660 L HA -0.199 4.142 4.340 0.002 0.000 0.210 660 L C 2.396 179.313 176.870 0.078 0.000 1.092 660 L CA 1.334 56.270 54.840 0.160 0.000 0.759 660 L CB -0.517 41.595 42.059 0.089 0.000 0.903 660 L HN 0.256 nan 8.230 nan 0.000 0.435 661 K N 0.020 120.478 120.400 0.097 0.000 2.366 661 K HA -0.011 4.310 4.320 0.002 0.000 0.198 661 K C 1.378 178.008 176.600 0.050 0.000 1.044 661 K CA 0.666 56.989 56.287 0.059 0.000 0.973 661 K CB 0.167 32.709 32.500 0.071 0.000 0.767 661 K HN 0.282 nan 8.250 nan 0.000 0.475 662 R N -0.632 119.919 120.500 0.084 0.000 2.596 662 R HA 0.242 4.583 4.340 0.002 0.000 0.369 662 R C 1.340 177.690 176.300 0.083 0.000 1.042 662 R CA -0.022 56.122 56.100 0.073 0.000 1.120 662 R CB 0.778 31.126 30.300 0.080 0.000 1.353 662 R HN 0.034 nan 8.270 nan 0.000 0.564 663 A N 0.855 123.696 122.820 0.035 0.000 1.986 663 A HA -0.146 4.175 4.320 0.002 0.000 0.220 663 A C 2.132 179.653 177.584 -0.105 0.000 1.171 663 A CA 1.961 53.921 52.037 -0.127 0.000 0.640 663 A CB -0.761 17.954 19.000 -0.475 0.000 0.811 663 A HN 0.442 nan 8.150 nan 0.000 0.451 664 G N -0.937 107.818 108.800 -0.075 0.000 2.535 664 G HA2 -0.112 3.849 3.960 0.002 0.000 0.218 664 G HA3 -0.112 3.849 3.960 0.002 0.000 0.218 664 G C 0.714 175.607 174.900 -0.012 0.000 1.122 664 G CA 0.960 46.025 45.100 -0.059 0.000 0.769 664 G HN 0.491 nan 8.290 nan 0.000 0.549 665 D N -0.327 120.083 120.400 0.018 0.000 2.328 665 D HA 0.070 4.711 4.640 0.002 0.000 0.221 665 D C 0.551 176.890 176.300 0.064 0.000 1.072 665 D CA -0.302 53.721 54.000 0.039 0.000 0.850 665 D CB 0.442 41.265 40.800 0.038 0.000 0.922 665 D HN 0.207 nan 8.370 nan 0.000 0.516 666 L N 1.967 123.234 121.223 0.073 0.000 2.407 666 L HA 0.094 4.435 4.340 0.002 0.000 0.282 666 L C 1.194 178.120 176.870 0.093 0.000 1.110 666 L CA 0.315 55.219 54.840 0.107 0.000 0.863 666 L CB 0.206 42.348 42.059 0.137 0.000 1.207 666 L HN -0.098 nan 8.230 nan 0.000 0.454 667 K N 2.942 123.402 120.400 0.100 0.000 2.402 667 K HA 0.415 4.736 4.320 0.002 0.000 0.204 667 K C 0.569 177.228 176.600 0.097 0.000 1.056 667 K CA 0.117 56.460 56.287 0.094 0.000 1.069 667 K CB 0.509 33.055 32.500 0.076 0.000 0.888 667 K HN 0.606 nan 8.250 nan 0.000 0.546 668 G N 1.038 109.905 108.800 0.112 0.000 2.702 668 G HA2 0.384 4.345 3.960 0.002 0.000 0.254 668 G HA3 0.384 4.345 3.960 0.002 0.000 0.254 668 G C -0.882 174.075 174.900 0.095 0.000 1.380 668 G CA -0.849 44.316 45.100 0.109 0.000 1.042 668 G HN -0.019 nan 8.290 nan 0.000 0.557 669 R N -0.151 120.394 120.500 0.074 0.000 2.229 669 R HA 0.459 4.800 4.340 0.002 0.000 0.332 669 R C -1.330 175.093 176.300 0.205 0.000 0.989 669 R CA -0.662 55.465 56.100 0.045 0.000 0.842 669 R CB 0.756 30.892 30.300 -0.274 0.000 1.119 669 R HN 0.285 nan 8.270 nan 0.000 0.456 670 L N 3.455 124.807 121.223 0.215 0.000 2.376 670 L HA 0.524 4.865 4.340 0.002 0.000 0.275 670 L C -0.732 176.156 176.870 0.030 0.000 0.987 670 L CA -0.390 54.539 54.840 0.147 0.000 0.828 670 L CB 1.810 43.936 42.059 0.111 0.000 1.249 670 L HN 0.617 nan 8.230 nan 0.000 0.409 671 M N 5.136 124.560 119.600 -0.293 0.000 2.113 671 M HA 0.498 4.979 4.480 0.002 0.000 0.352 671 M C -1.528 174.679 176.300 -0.155 0.000 1.170 671 M CA -0.635 54.423 55.300 -0.403 0.000 1.053 671 M CB 0.840 32.839 32.600 -1.001 0.000 1.601 671 M HN 0.579 nan 8.290 nan 0.000 0.459 672 L N 6.400 127.653 121.223 0.051 0.000 2.325 672 L HA 0.580 4.921 4.340 0.002 0.000 0.279 672 L C -0.550 176.402 176.870 0.138 0.000 1.054 672 L CA -0.015 54.885 54.840 0.100 0.000 0.804 672 L CB 1.371 43.574 42.059 0.240 0.000 1.200 672 L HN 0.620 nan 8.230 nan 0.000 0.436 673 I N 1.412 121.968 120.570 -0.025 0.000 2.533 673 I HA 0.403 4.574 4.170 0.002 0.000 0.290 673 I C -0.981 175.095 176.117 -0.069 0.000 1.056 673 I CA -0.571 60.730 61.300 0.001 0.000 1.057 673 I CB 2.005 40.073 38.000 0.114 0.000 1.240 673 I HN 0.593 nan 8.210 nan 0.000 0.423 674 H N 2.413 121.484 119.070 0.001 0.000 2.806 674 H HA 0.528 5.085 4.556 0.002 0.000 0.367 674 H C 0.027 175.374 175.328 0.032 0.000 1.136 674 H CA -0.505 55.562 56.048 0.031 0.000 1.178 674 H CB 2.189 32.034 29.762 0.138 0.000 1.718 674 H HN 0.737 nan 8.280 nan 0.000 0.540 675 G N 1.368 110.345 108.800 0.295 0.000 2.380 675 G HA2 0.336 4.297 3.960 0.002 0.000 0.262 675 G HA3 0.336 4.297 3.960 0.002 0.000 0.262 675 G C 0.872 175.690 174.900 -0.138 0.000 1.243 675 G CA 0.160 45.372 45.100 0.187 0.000 0.865 675 G HN 0.830 nan 8.290 nan 0.000 0.513 676 A N 2.805 125.328 122.820 -0.495 0.000 1.972 676 A HA -0.080 4.241 4.320 0.002 0.000 0.219 676 A C 1.991 179.346 177.584 -0.381 0.000 1.169 676 A CA 1.475 52.857 52.037 -1.092 0.000 0.635 676 A CB -0.321 18.035 19.000 -1.073 0.000 0.810 676 A HN 1.141 nan 8.150 nan 0.000 0.446 677 I N -3.294 117.205 120.570 -0.118 0.000 3.884 677 I HA 0.213 4.384 4.170 0.002 0.000 0.330 677 I C -0.189 175.974 176.117 0.077 0.000 1.451 677 I CA -0.593 60.713 61.300 0.011 0.000 1.165 677 I CB -0.133 37.880 38.000 0.021 0.000 1.097 677 I HN -0.079 nan 8.210 nan 0.000 0.404 678 D N 5.001 125.474 120.400 0.122 0.000 2.426 678 D HA 0.035 4.676 4.640 0.002 0.000 0.261 678 D C -1.545 174.836 176.300 0.135 0.000 1.245 678 D CA -1.419 52.712 54.000 0.218 0.000 0.917 678 D CB 1.255 42.294 40.800 0.398 0.000 1.123 678 D HN 0.254 nan 8.370 nan 0.000 0.508 679 P HA 0.058 nan 4.420 nan 0.000 0.266 679 P C 0.798 178.139 177.300 0.069 0.000 1.381 679 P CA -0.086 63.060 63.100 0.077 0.000 0.940 679 P CB 0.814 32.585 31.700 0.118 0.000 1.435 680 V N -0.721 119.198 119.914 0.009 0.000 2.635 680 V HA 0.093 4.214 4.120 0.002 0.000 0.233 680 V C 1.026 177.072 176.094 -0.079 0.000 1.097 680 V CA 0.699 62.966 62.300 -0.056 0.000 1.134 680 V CB -0.049 31.580 31.823 -0.324 0.000 0.841 680 V HN -0.224 nan 8.190 nan 0.000 0.496 681 V N 3.887 123.708 119.914 -0.156 0.000 2.304 681 V HA 0.310 4.431 4.120 0.002 0.000 0.269 681 V C -0.036 176.181 176.094 0.205 0.000 1.036 681 V CA -0.619 61.674 62.300 -0.012 0.000 0.840 681 V CB 1.022 32.806 31.823 -0.063 0.000 1.036 681 V HN 0.355 nan 8.190 nan 0.000 0.466 682 V N 2.548 122.512 119.914 0.083 0.000 2.872 682 V HA 0.123 4.244 4.120 0.002 0.000 0.307 682 V C 1.198 177.368 176.094 0.126 0.000 1.072 682 V CA -0.113 62.218 62.300 0.051 0.000 1.148 682 V CB 0.435 32.163 31.823 -0.157 0.000 0.954 682 V HN 0.908 nan 8.190 nan 0.000 0.490 683 W N 1.897 123.031 121.300 -0.277 0.000 2.325 683 W HA -0.185 4.476 4.660 0.002 0.000 0.299 683 W C 2.497 178.826 176.519 -0.316 0.000 1.215 683 W CA 1.980 58.963 57.345 -0.603 0.000 1.244 683 W CB -0.613 28.685 29.460 -0.269 0.000 1.140 683 W HN 0.980 nan 8.180 nan 0.000 0.523 684 Q N -1.026 118.740 119.800 -0.058 0.000 2.250 684 Q HA -0.336 4.005 4.340 0.002 0.000 0.215 684 Q C 2.258 178.187 176.000 -0.118 0.000 1.002 684 Q CA 2.333 58.036 55.803 -0.166 0.000 0.910 684 Q CB -0.702 27.927 28.738 -0.182 0.000 0.939 684 Q HN 0.415 nan 8.270 nan 0.000 0.416 685 H N -0.706 118.351 119.070 -0.021 0.000 2.290 685 H HA -0.107 4.450 4.556 0.002 0.000 0.298 685 H C 2.545 177.932 175.328 0.098 0.000 1.087 685 H CA 1.977 58.050 56.048 0.042 0.000 1.291 685 H CB -0.193 29.619 29.762 0.083 0.000 1.369 685 H HN 0.502 nan 8.280 nan 0.000 0.492 686 S N 0.624 116.521 115.700 0.328 0.000 2.414 686 S HA -0.029 4.443 4.470 0.002 0.000 0.227 686 S C 2.370 177.033 174.600 0.104 0.000 1.022 686 S CA 0.319 58.717 58.200 0.330 0.000 0.958 686 S CB -0.623 62.975 63.200 0.662 0.000 0.797 686 S HN 0.200 nan 8.310 nan 0.000 0.493 687 L N 0.937 122.141 121.223 -0.032 0.000 2.017 687 L HA -0.014 4.327 4.340 0.002 0.000 0.208 687 L C 2.619 179.376 176.870 -0.187 0.000 1.073 687 L CA 1.254 55.950 54.840 -0.241 0.000 0.745 687 L CB -0.681 41.120 42.059 -0.429 0.000 0.894 687 L HN 0.290 nan 8.230 nan 0.000 0.432 688 L N -1.485 119.665 121.223 -0.120 0.000 2.191 688 L HA -0.236 4.105 4.340 0.002 0.000 0.212 688 L C 2.522 179.364 176.870 -0.046 0.000 1.103 688 L CA 1.016 55.797 54.840 -0.097 0.000 0.769 688 L CB -0.461 41.545 42.059 -0.088 0.000 0.908 688 L HN 0.185 nan 8.230 nan 0.000 0.438 689 F N 0.589 120.474 119.950 -0.107 0.000 2.113 689 F HA -0.212 4.316 4.527 0.002 0.000 0.297 689 F C 2.247 177.959 175.800 -0.147 0.000 1.103 689 F CA 1.438 59.381 58.000 -0.095 0.000 1.248 689 F CB -0.130 38.839 39.000 -0.052 0.000 0.999 689 F HN -0.135 nan 8.300 nan 0.000 0.475 690 L N -0.142 120.975 121.223 -0.177 0.000 2.042 690 L HA -0.262 4.079 4.340 0.002 0.000 0.210 690 L C 2.137 178.817 176.870 -0.316 0.000 1.076 690 L CA 2.167 56.823 54.840 -0.307 0.000 0.749 690 L CB -1.038 40.792 42.059 -0.381 0.000 0.893 690 L HN 0.182 nan 8.230 nan 0.000 0.432 691 D N -0.050 120.192 120.400 -0.263 0.000 2.123 691 D HA -0.181 4.460 4.640 0.002 0.000 0.196 691 D C 2.155 178.306 176.300 -0.249 0.000 0.992 691 D CA 1.430 55.294 54.000 -0.227 0.000 0.833 691 D CB 0.159 40.847 40.800 -0.186 0.000 0.954 691 D HN 0.274 nan 8.370 nan 0.000 0.455 692 A N -0.553 122.093 122.820 -0.290 0.000 1.972 692 A HA -0.160 4.161 4.320 0.002 0.000 0.219 692 A C 2.470 179.828 177.584 -0.376 0.000 1.169 692 A CA 1.314 53.171 52.037 -0.301 0.000 0.635 692 A CB -0.896 17.931 19.000 -0.288 0.000 0.810 692 A HN 0.494 nan 8.150 nan 0.000 0.446 693 C N -1.337 117.654 119.300 -0.515 0.000 2.440 693 C HA -0.027 4.434 4.460 0.002 0.000 0.278 693 C C 2.726 177.473 174.990 -0.404 0.000 1.295 693 C CA 0.924 59.640 59.018 -0.502 0.000 1.738 693 C CB -1.168 26.234 27.740 -0.563 0.000 1.987 693 C HN 0.471 nan 8.230 nan 0.000 0.492 694 V N 1.239 120.954 119.914 -0.333 0.000 2.237 694 V HA -0.263 3.858 4.120 0.002 0.000 0.245 694 V C 2.519 178.481 176.094 -0.220 0.000 1.046 694 V CA 2.259 64.398 62.300 -0.268 0.000 1.007 694 V CB -0.722 30.984 31.823 -0.195 0.000 0.638 694 V HN 0.562 nan 8.190 nan 0.000 0.445 695 K N 0.345 120.631 120.400 -0.191 0.000 2.074 695 K HA -0.194 4.127 4.320 0.002 0.000 0.209 695 K C 1.940 178.452 176.600 -0.147 0.000 1.048 695 K CA 1.778 57.977 56.287 -0.147 0.000 0.926 695 K CB -0.315 32.107 32.500 -0.130 0.000 0.713 695 K HN 0.458 nan 8.250 nan 0.000 0.444 696 A N 0.644 123.351 122.820 -0.189 0.000 2.208 696 A HA 0.046 4.367 4.320 0.002 0.000 0.209 696 A C 0.003 177.484 177.584 -0.171 0.000 1.161 696 A CA 0.210 52.148 52.037 -0.164 0.000 0.782 696 A CB -0.018 18.872 19.000 -0.183 0.000 0.816 696 A HN 0.379 nan 8.150 nan 0.000 0.477 697 R N 0.125 120.480 120.500 -0.241 0.000 3.261 697 R HA -0.124 4.217 4.340 0.002 0.000 0.257 697 R C -0.210 175.819 176.300 -0.451 0.000 1.014 697 R CA 1.204 57.126 56.100 -0.297 0.000 0.681 697 R CB -3.070 27.191 30.300 -0.066 0.000 1.155 697 R HN 0.796 nan 8.270 nan 0.000 0.424 698 T N -3.348 110.827 114.554 -0.632 0.000 2.926 698 T HA 0.734 5.085 4.350 0.002 0.000 0.289 698 T C -0.271 173.953 174.700 -0.795 0.000 1.054 698 T CA -0.729 61.072 62.100 -0.498 0.000 1.015 698 T CB 1.801 70.551 68.868 -0.197 0.000 1.167 698 T HN 0.194 nan 8.240 nan 0.000 0.526 699 Y N 1.297 121.582 120.300 -0.025 0.000 2.584 699 Y HA 0.394 4.945 4.550 0.002 0.000 0.358 699 Y C -2.249 173.666 175.900 0.026 0.000 1.028 699 Y CA -1.911 56.183 58.100 -0.009 0.000 1.148 699 Y CB 0.735 39.194 38.460 -0.002 0.000 1.126 699 Y HN 0.547 nan 8.280 nan 0.000 0.658 700 P HA 0.243 nan 4.420 nan 0.000 0.279 700 P C -0.529 176.857 177.300 0.143 0.000 1.276 700 P CA -0.192 62.989 63.100 0.135 0.000 0.801 700 P CB 1.874 33.665 31.700 0.151 0.000 1.127 701 D N -1.222 119.271 120.400 0.155 0.000 2.392 701 D HA 0.425 5.066 4.640 0.002 0.000 0.246 701 D C -1.070 175.364 176.300 0.223 0.000 1.013 701 D CA 0.168 54.273 54.000 0.175 0.000 0.993 701 D CB 1.447 42.368 40.800 0.202 0.000 1.219 701 D HN 0.302 nan 8.370 nan 0.000 0.538 702 Y N 0.115 120.450 120.300 0.058 0.000 2.552 702 Y HA 0.403 4.954 4.550 0.002 0.000 0.337 702 Y C -1.963 174.019 175.900 0.136 0.000 1.094 702 Y CA -0.934 57.213 58.100 0.079 0.000 1.028 702 Y CB 1.410 39.916 38.460 0.076 0.000 1.321 702 Y HN 0.351 nan 8.280 nan 0.000 0.456 703 Y N 3.274 123.416 120.300 -0.262 0.000 2.504 703 Y HA 0.740 5.291 4.550 0.002 0.000 0.344 703 Y C -1.771 173.835 175.900 -0.489 0.000 1.023 703 Y CA -0.911 57.012 58.100 -0.295 0.000 1.020 703 Y CB 1.823 40.209 38.460 -0.123 0.000 1.282 703 Y HN 0.427 nan 8.280 nan 0.000 0.454 704 V N 5.447 124.876 119.914 -0.809 0.000 2.604 704 V HA 0.314 4.436 4.120 0.002 0.000 0.305 704 V C -1.435 174.386 176.094 -0.456 0.000 1.043 704 V CA -0.929 61.083 62.300 -0.480 0.000 0.888 704 V CB 1.712 33.298 31.823 -0.395 0.000 0.995 704 V HN 0.633 nan 8.190 nan 0.000 0.429 705 Y N 5.456 125.727 120.300 -0.047 0.000 2.700 705 Y HA 0.329 4.880 4.550 0.002 0.000 0.333 705 Y C -1.724 174.149 175.900 -0.044 0.000 1.036 705 Y CA -2.172 55.971 58.100 0.072 0.000 1.287 705 Y CB 1.186 39.773 38.460 0.211 0.000 1.132 705 Y HN 0.523 nan 8.280 nan 0.000 0.510 706 P HA -0.112 nan 4.420 nan 0.000 0.222 706 P C 0.874 178.167 177.300 -0.011 0.000 1.147 706 P CA 1.408 64.430 63.100 -0.129 0.000 0.790 706 P CB 0.448 32.041 31.700 -0.180 0.000 0.780 707 S N -2.578 113.162 115.700 0.067 0.000 2.556 707 S HA 0.079 4.550 4.470 0.002 0.000 0.216 707 S C 0.540 175.006 174.600 -0.223 0.000 0.970 707 S CA -0.083 58.123 58.200 0.010 0.000 0.912 707 S CB -0.460 62.755 63.200 0.025 0.000 0.790 707 S HN 0.255 nan 8.310 nan 0.000 0.504 708 H N 1.448 120.578 119.070 0.100 0.000 2.502 708 H HA 0.408 4.965 4.556 0.002 0.000 0.338 708 H C 0.485 175.860 175.328 0.078 0.000 1.155 708 H CA -0.302 55.795 56.048 0.081 0.000 1.237 708 H CB 1.156 30.961 29.762 0.072 0.000 1.534 708 H HN 0.250 nan 8.280 nan 0.000 0.523 709 E N 0.195 120.521 120.200 0.209 0.000 3.363 709 E HA -0.038 4.313 4.350 0.002 0.000 0.481 709 E C 1.022 177.797 176.600 0.292 0.000 0.318 709 E CA -0.413 56.111 56.400 0.207 0.000 2.823 709 E CB 0.416 30.216 29.700 0.166 0.000 2.283 709 E HN 0.533 nan 8.360 nan 0.000 0.441 710 H N 0.218 119.396 119.070 0.180 0.000 2.363 710 H HA 0.109 4.666 4.556 0.002 0.000 0.301 710 H C 0.003 175.519 175.328 0.312 0.000 1.074 710 H CA 1.052 57.241 56.048 0.235 0.000 1.354 710 H CB 0.213 30.098 29.762 0.205 0.000 1.397 710 H HN 0.052 nan 8.280 nan 0.000 0.516 711 N N -0.143 118.593 118.700 0.059 0.000 2.319 711 N HA 0.201 4.942 4.740 0.002 0.000 0.305 711 N C -1.223 174.138 175.510 -0.249 0.000 1.103 711 N CA -0.542 52.358 53.050 -0.251 0.000 0.815 711 N CB 2.799 41.083 38.487 -0.339 0.000 1.288 711 N HN -0.125 nan 8.380 nan 0.000 0.493 712 V N 3.363 122.956 119.914 -0.535 0.000 2.455 712 V HA 0.279 4.400 4.120 0.002 0.000 0.273 712 V C 0.411 176.199 176.094 -0.511 0.000 1.045 712 V CA 0.013 61.868 62.300 -0.743 0.000 0.976 712 V CB 0.454 31.660 31.823 -1.029 0.000 0.993 712 V HN 0.507 nan 8.190 nan 0.000 0.475 713 M N 3.568 122.986 119.600 -0.304 0.000 2.508 713 M HA 0.712 5.193 4.480 0.002 0.000 0.327 713 M C 0.627 176.874 176.300 -0.089 0.000 1.160 713 M CA 0.085 55.298 55.300 -0.144 0.000 0.980 713 M CB 1.515 34.108 32.600 -0.011 0.000 1.693 713 M HN 0.894 nan 8.290 nan 0.000 0.452 714 G N 3.042 111.775 108.800 -0.112 0.000 2.632 714 G HA2 -0.155 3.806 3.960 0.002 0.000 0.224 714 G HA3 -0.155 3.806 3.960 0.002 0.000 0.224 714 G C -2.446 172.389 174.900 -0.108 0.000 1.341 714 G CA -0.741 44.311 45.100 -0.080 0.000 0.880 714 G HN 0.469 nan 8.290 nan 0.000 0.566 715 P HA 0.010 nan 4.420 nan 0.000 0.217 715 P C 1.168 178.431 177.300 -0.062 0.000 1.148 715 P CA 1.696 64.754 63.100 -0.070 0.000 0.828 715 P CB -0.071 31.610 31.700 -0.031 0.000 0.783 716 D N -1.335 119.043 120.400 -0.037 0.000 2.309 716 D HA -0.130 4.511 4.640 0.002 0.000 0.212 716 D C 1.908 178.127 176.300 -0.136 0.000 0.968 716 D CA 0.650 54.637 54.000 -0.022 0.000 0.882 716 D CB -0.436 40.380 40.800 0.027 0.000 0.918 716 D HN 0.169 nan 8.370 nan 0.000 0.503 717 R N 0.282 120.637 120.500 -0.243 0.000 2.189 717 R HA -0.072 4.269 4.340 0.002 0.000 0.223 717 R C 1.770 177.871 176.300 -0.331 0.000 1.092 717 R CA 0.491 56.375 56.100 -0.360 0.000 0.989 717 R CB 0.060 30.088 30.300 -0.452 0.000 0.876 717 R HN 0.020 nan 8.270 nan 0.000 0.457 718 V N 0.162 119.949 119.914 -0.211 0.000 2.343 718 V HA -0.270 3.851 4.120 0.002 0.000 0.247 718 V C 2.388 178.499 176.094 0.028 0.000 1.051 718 V CA 2.032 64.253 62.300 -0.132 0.000 1.036 718 V CB -0.772 31.000 31.823 -0.086 0.000 0.654 718 V HN 0.508 nan 8.190 nan 0.000 0.451 719 H N -0.124 118.944 119.070 -0.005 0.000 2.353 719 H HA -0.152 4.405 4.556 0.002 0.000 0.300 719 H C 2.240 177.635 175.328 0.112 0.000 1.090 719 H CA 2.186 58.277 56.048 0.072 0.000 1.327 719 H CB -0.033 29.806 29.762 0.128 0.000 1.383 719 H HN 0.342 nan 8.280 nan 0.000 0.508 720 L N 0.527 121.885 121.223 0.226 0.000 1.989 720 L HA -0.232 4.109 4.340 0.002 0.000 0.211 720 L C 2.327 179.373 176.870 0.293 0.000 1.071 720 L CA 1.750 56.703 54.840 0.187 0.000 0.749 720 L CB -1.165 40.841 42.059 -0.087 0.000 0.890 720 L HN 0.280 nan 8.230 nan 0.000 0.431 721 Y N -0.535 119.819 120.300 0.090 0.000 2.224 721 Y HA -0.221 4.330 4.550 0.002 0.000 0.289 721 Y C 2.605 178.692 175.900 0.312 0.000 1.146 721 Y CA 0.744 59.006 58.100 0.270 0.000 1.182 721 Y CB 0.011 38.634 38.460 0.273 0.000 0.983 721 Y HN 0.292 nan 8.280 nan 0.000 0.524 722 E N -0.336 120.059 120.200 0.326 0.000 2.077 722 E HA -0.146 4.205 4.350 0.002 0.000 0.193 722 E C 2.118 178.766 176.600 0.080 0.000 0.989 722 E CA 1.610 58.132 56.400 0.202 0.000 0.800 722 E CB -0.563 29.167 29.700 0.051 0.000 0.746 722 E HN 0.431 nan 8.360 nan 0.000 0.452 723 T N 1.873 116.409 114.554 -0.031 0.000 2.708 723 T HA -0.105 4.246 4.350 0.002 0.000 0.266 723 T C 2.173 176.908 174.700 0.058 0.000 1.037 723 T CA 1.034 63.096 62.100 -0.064 0.000 1.146 723 T CB -0.223 68.541 68.868 -0.172 0.000 0.865 723 T HN 0.090 nan 8.240 nan 0.000 0.435 724 I N 1.639 122.278 120.570 0.114 0.000 2.252 724 I HA -0.171 4.000 4.170 0.002 0.000 0.245 724 I C 2.970 179.249 176.117 0.271 0.000 1.102 724 I CA 1.557 62.919 61.300 0.104 0.000 1.385 724 I CB -0.621 37.381 38.000 0.002 0.000 1.064 724 I HN 0.409 nan 8.210 nan 0.000 0.414 725 T N -1.231 113.509 114.554 0.310 0.000 2.857 725 T HA -0.188 4.163 4.350 0.002 0.000 0.266 725 T C 2.017 176.778 174.700 0.102 0.000 1.048 725 T CA 0.829 63.061 62.100 0.221 0.000 1.139 725 T CB -0.415 68.410 68.868 -0.071 0.000 0.874 725 T HN 0.263 nan 8.240 nan 0.000 0.455 726 R N -0.709 119.843 120.500 0.086 0.000 2.120 726 R HA -0.120 4.221 4.340 0.002 0.000 0.234 726 R C 2.263 178.594 176.300 0.051 0.000 1.123 726 R CA 1.105 57.232 56.100 0.044 0.000 0.975 726 R CB -0.593 29.731 30.300 0.040 0.000 0.866 726 R HN 0.494 nan 8.270 nan 0.000 0.446 727 Y N 0.246 120.518 120.300 -0.047 0.000 2.128 727 Y HA -0.240 4.311 4.550 0.002 0.000 0.284 727 Y C 1.607 177.449 175.900 -0.095 0.000 1.154 727 Y CA 1.922 59.978 58.100 -0.073 0.000 1.149 727 Y CB -0.379 37.971 38.460 -0.182 0.000 0.976 727 Y HN 0.003 nan 8.280 nan 0.000 0.505 728 F N -0.388 119.615 119.950 0.087 0.000 2.146 728 F HA -0.191 4.337 4.527 0.002 0.000 0.298 728 F C 2.799 178.490 175.800 -0.181 0.000 1.096 728 F CA 1.932 59.889 58.000 -0.071 0.000 1.275 728 F CB -1.339 37.536 39.000 -0.209 0.000 1.008 728 F HN 0.129 nan 8.300 nan 0.000 0.480 729 T N -2.887 111.642 114.554 -0.040 0.000 2.867 729 T HA -0.145 4.206 4.350 0.002 0.000 0.268 729 T C 1.565 176.255 174.700 -0.018 0.000 1.057 729 T CA 1.518 63.623 62.100 0.007 0.000 1.136 729 T CB -0.439 68.429 68.868 -0.001 0.000 0.874 729 T HN 0.073 nan 8.240 nan 0.000 0.466 730 D N 0.854 121.151 120.400 -0.172 0.000 2.097 730 D HA -0.064 4.577 4.640 0.002 0.000 0.197 730 D C 2.023 178.065 176.300 -0.431 0.000 0.984 730 D CA 1.260 55.029 54.000 -0.385 0.000 0.826 730 D CB -0.214 40.158 40.800 -0.714 0.000 0.973 730 D HN 0.579 nan 8.370 nan 0.000 0.460 731 H N -1.287 117.708 119.070 -0.125 0.000 2.855 731 H HA 0.205 4.762 4.556 0.002 0.000 0.259 731 H C 0.830 176.179 175.328 0.036 0.000 0.972 731 H CA -0.309 55.669 56.048 -0.118 0.000 1.213 731 H CB 0.692 30.255 29.762 -0.332 0.000 1.451 731 H HN 0.092 nan 8.280 nan 0.000 0.484 732 L N 0.000 121.380 121.223 0.262 0.000 2.949 732 L HA 0.000 4.341 4.340 0.002 0.000 0.249 732 L CA 0.000 55.058 54.840 0.364 0.000 0.813 732 L CB 0.000 42.409 42.059 0.584 0.000 0.961 732 L HN 0.000 nan 8.230 nan 0.000 0.502