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 3bg9_1_B DATA FIRST_RESID 494 DATA SEQUENCE QNRAQKLLHY LGHVMVNGPT TPIPVKASPS PTDPVVPAVP IGPPPAGFRD DATA SEQUENCE ILLREGPEGF ARAVRNHPGL LLMDTTFRDA HQSLLATRVR THDLKKIAPY DATA SEQUENCE VAHNFSKLFS MENWGGATFD VAMRFLYECP WRRLQELREL IPNIPFQMLL DATA SEQUENCE RGANAVGYTN YPDNVVFKFC EVAKENGMDV FRVFDSLNYL PNMLLGMEAA DATA SEQUENCE GSAGGVVEAA ISYTGDVADP SRTKYSLQYY MGLAEELVRA GTHILCIKDM DATA SEQUENCE AGLLKPTACT MLVSSLRDRF PDLPLHIHTH DTSGAGVAAM LACAQAGADV DATA SEQUENCE VDVAADSMSG MTSQPSMGAL VACTRGTPLD TEVPMERVFD YSEYWEGARG DATA SEQUENCE LYAAFDCTAT MKSGNSDVYE NEIPGGQYTN LHFQAHSMGL GSKFKEVKKA DATA SEQUENCE YVEANQMLGD LIKVTPSSKI VGDLAQFMVQ NGLSRAEAEA QAEELSFPRS DATA SEQUENCE VVEFLQGYIG VPHGGFPEPF RSKVLKDLPR VEGRPGASLP PLDLQALEKE DATA SEQUENCE LVDRHGEEVT PEDVLSAAMY PDVFAHFKDF TATFGPLDSL NTRLFLQGPK DATA SEQUENCE IAEEFEVELE RGKTLHIKAL AVSDLNRAGQ RQVAFELNGQ LRSILVKDTQ DATA SEQUENCE A 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 494 Q HA 0.000 nan 4.340 nan 0.000 0.214 494 Q C 0.000 176.011 176.000 0.019 0.000 1.003 494 Q CA 0.000 55.814 55.803 0.019 0.000 1.022 494 Q CB 0.000 28.750 28.738 0.020 0.000 1.108 495 N N 1.312 120.022 118.700 0.016 0.000 2.290 495 N HA -0.035 4.705 4.740 -0.000 0.000 0.179 495 N C 0.857 176.377 175.510 0.016 0.000 1.016 495 N CA 1.010 54.069 53.050 0.014 0.000 0.871 495 N CB 0.412 38.902 38.487 0.006 0.000 0.987 495 N HN 0.442 nan 8.380 nan 0.000 0.431 496 R N 1.311 121.821 120.500 0.018 0.000 2.112 496 R HA -0.114 4.226 4.340 -0.000 0.000 0.242 496 R C 2.335 178.651 176.300 0.026 0.000 1.137 496 R CA 1.843 57.956 56.100 0.022 0.000 0.944 496 R CB -0.824 29.492 30.300 0.025 0.000 0.857 496 R HN 0.225 nan 8.270 nan 0.000 0.435 497 A N 1.575 124.408 122.820 0.022 0.000 1.862 497 A HA -0.352 3.968 4.320 -0.000 0.000 0.214 497 A C 2.190 179.783 177.584 0.015 0.000 1.228 497 A CA 2.226 54.271 52.037 0.014 0.000 0.665 497 A CB -1.181 17.824 19.000 0.009 0.000 0.845 497 A HN 0.533 nan 8.150 nan 0.000 0.459 498 Q N -0.134 119.679 119.800 0.022 0.000 2.290 498 Q HA -0.234 4.105 4.340 -0.000 0.000 0.211 498 Q C 1.653 177.710 176.000 0.094 0.000 0.991 498 Q CA 2.411 58.240 55.803 0.044 0.000 0.893 498 Q CB -0.527 28.245 28.738 0.056 0.000 0.913 498 Q HN 0.711 nan 8.270 nan 0.000 0.428 499 K N 0.154 120.602 120.400 0.079 0.000 2.057 499 K HA -0.038 4.282 4.320 -0.000 0.000 0.207 499 K C 2.040 178.763 176.600 0.205 0.000 1.049 499 K CA 1.516 57.869 56.287 0.110 0.000 0.931 499 K CB -0.156 32.371 32.500 0.045 0.000 0.714 499 K HN 0.298 nan 8.250 nan 0.000 0.440 500 L N 0.798 122.096 121.223 0.125 0.000 2.044 500 L HA -0.173 4.167 4.340 -0.000 0.000 0.205 500 L C 2.344 179.286 176.870 0.119 0.000 1.075 500 L CA 0.856 55.768 54.840 0.120 0.000 0.747 500 L CB -0.468 41.626 42.059 0.058 0.000 0.903 500 L HN 0.181 nan 8.230 nan 0.000 0.435 501 L N -0.748 120.466 121.223 -0.015 0.000 1.963 501 L HA -0.345 3.995 4.340 -0.000 0.000 0.220 501 L C 2.825 179.708 176.870 0.022 0.000 1.076 501 L CA 1.673 56.360 54.840 -0.257 0.000 0.772 501 L CB -1.044 40.834 42.059 -0.301 0.000 0.892 501 L HN 0.382 nan 8.230 nan 0.000 0.435 502 H N -0.810 118.317 119.070 0.095 0.000 2.362 502 H HA -0.303 4.253 4.556 -0.000 0.000 0.294 502 H C 2.139 177.586 175.328 0.199 0.000 1.113 502 H CA 2.591 58.769 56.048 0.216 0.000 1.253 502 H CB -0.338 29.586 29.762 0.270 0.000 1.363 502 H HN 0.448 nan 8.280 nan 0.000 0.494 503 Y N 0.701 121.109 120.300 0.179 0.000 2.089 503 Y HA -0.195 4.355 4.550 -0.000 0.000 0.282 503 Y C 2.839 178.652 175.900 -0.144 0.000 1.139 503 Y CA 1.781 59.671 58.100 -0.350 0.000 1.123 503 Y CB -0.731 37.426 38.460 -0.506 0.000 0.980 503 Y HN 0.094 nan 8.280 nan 0.000 0.493 504 L N 0.071 121.319 121.223 0.042 0.000 1.978 504 L HA -0.308 4.032 4.340 -0.000 0.000 0.218 504 L C 2.737 179.649 176.870 0.070 0.000 1.075 504 L CA 1.727 56.583 54.840 0.027 0.000 0.767 504 L CB -1.547 40.607 42.059 0.157 0.000 0.890 504 L HN 0.531 nan 8.230 nan 0.000 0.434 505 G N -1.402 107.575 108.800 0.294 0.000 2.476 505 G HA2 -0.363 3.596 3.960 -0.000 0.000 0.218 505 G HA3 -0.363 3.596 3.960 -0.000 0.000 0.218 505 G C 1.495 176.409 174.900 0.023 0.000 1.164 505 G CA 1.095 46.358 45.100 0.273 0.000 0.768 505 G HN 0.451 nan 8.290 nan 0.000 0.560 506 H N 0.731 119.729 119.070 -0.119 0.000 2.319 506 H HA -0.077 4.479 4.556 -0.000 0.000 0.297 506 H C 2.684 177.861 175.328 -0.251 0.000 1.097 506 H CA 1.731 57.675 56.048 -0.173 0.000 1.285 506 H CB -0.375 29.281 29.762 -0.177 0.000 1.368 506 H HN 0.176 nan 8.280 nan 0.000 0.495 507 V N 1.337 121.149 119.914 -0.169 0.000 2.407 507 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 507 V C 2.959 178.973 176.094 -0.133 0.000 1.055 507 V CA 1.963 64.137 62.300 -0.211 0.000 1.049 507 V CB -0.605 30.963 31.823 -0.425 0.000 0.662 507 V HN 0.365 nan 8.190 nan 0.000 0.455 508 M N -0.634 118.901 119.600 -0.108 0.000 2.065 508 M HA -0.170 4.309 4.480 -0.000 0.000 0.259 508 M C 2.243 178.480 176.300 -0.105 0.000 1.069 508 M CA 1.843 57.094 55.300 -0.082 0.000 1.110 508 M CB -0.642 31.927 32.600 -0.051 0.000 1.328 508 M HN 0.234 nan 8.290 nan 0.000 0.405 509 V N 0.754 120.583 119.914 -0.142 0.000 2.295 509 V HA -0.238 3.881 4.120 -0.000 0.000 0.246 509 V C 1.749 177.740 176.094 -0.171 0.000 1.049 509 V CA 1.771 63.971 62.300 -0.166 0.000 1.024 509 V CB -0.698 30.995 31.823 -0.217 0.000 0.648 509 V HN 0.498 nan 8.190 nan 0.000 0.447 510 N N -0.647 117.917 118.700 -0.226 0.000 2.254 510 N HA 0.255 4.994 4.740 -0.000 0.000 0.190 510 N C 0.921 176.403 175.510 -0.047 0.000 1.107 510 N CA 0.972 53.935 53.050 -0.144 0.000 0.869 510 N CB 1.236 39.602 38.487 -0.201 0.000 0.983 510 N HN 0.548 nan 8.380 nan 0.000 0.487 511 G N 1.723 110.488 108.800 -0.058 0.000 2.760 511 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.246 511 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.246 511 G C -2.734 172.143 174.900 -0.037 0.000 1.359 511 G CA -1.082 43.990 45.100 -0.047 0.000 0.861 511 G HN 0.029 nan 8.290 nan 0.000 0.541 512 P HA 0.044 nan 4.420 nan 0.000 0.261 512 P C 1.299 178.607 177.300 0.013 0.000 1.158 512 P CA 1.373 64.456 63.100 -0.028 0.000 0.758 512 P CB 0.538 32.238 31.700 -0.001 0.000 0.763 513 T N -0.299 114.256 114.554 0.002 0.000 2.866 513 T HA -0.004 4.346 4.350 -0.000 0.000 0.250 513 T C 0.876 175.686 174.700 0.184 0.000 1.033 513 T CA 0.851 62.994 62.100 0.072 0.000 1.145 513 T CB -0.486 68.411 68.868 0.048 0.000 0.866 513 T HN 0.420 nan 8.240 nan 0.000 0.434 514 T N 3.994 118.706 114.554 0.263 0.000 2.889 514 T HA 0.463 4.813 4.350 -0.000 0.000 0.291 514 T C -2.573 172.280 174.700 0.255 0.000 0.995 514 T CA -2.055 60.261 62.100 0.360 0.000 1.092 514 T CB 0.737 69.884 68.868 0.465 0.000 0.954 514 T HN 0.241 nan 8.240 nan 0.000 0.506 515 P HA 0.157 nan 4.420 nan 0.000 0.266 515 P C -0.527 176.840 177.300 0.111 0.000 1.193 515 P CA 0.071 63.250 63.100 0.131 0.000 0.770 515 P CB 0.132 31.894 31.700 0.102 0.000 0.836 516 I N 0.392 120.955 120.570 -0.011 0.000 2.537 516 I HA 0.302 4.472 4.170 -0.000 0.000 0.276 516 I C -1.402 174.584 176.117 -0.219 0.000 1.063 516 I CA -2.560 58.610 61.300 -0.216 0.000 1.144 516 I CB 1.679 39.573 38.000 -0.177 0.000 1.252 516 I HN 0.112 nan 8.210 nan 0.000 0.480 517 P HA -0.117 nan 4.420 nan 0.000 0.216 517 P C 0.526 177.806 177.300 -0.034 0.000 1.150 517 P CA 1.139 64.176 63.100 -0.104 0.000 0.843 517 P CB 0.360 31.928 31.700 -0.221 0.000 0.787 518 V N 1.280 121.067 119.914 -0.213 0.000 2.409 518 V HA 0.198 4.318 4.120 -0.000 0.000 0.291 518 V C 0.466 176.475 176.094 -0.143 0.000 1.020 518 V CA -1.250 60.988 62.300 -0.104 0.000 0.848 518 V CB 1.615 33.361 31.823 -0.128 0.000 0.990 518 V HN -0.020 nan 8.190 nan 0.000 0.430 519 K N 4.269 124.626 120.400 -0.072 0.000 2.245 519 K HA 0.516 4.836 4.320 -0.000 0.000 0.281 519 K C -0.208 176.348 176.600 -0.073 0.000 1.079 519 K CA 0.288 56.531 56.287 -0.073 0.000 1.000 519 K CB -0.110 32.365 32.500 -0.041 0.000 1.038 519 K HN 0.906 nan 8.250 nan 0.000 0.430 520 A N 2.937 125.698 122.820 -0.099 0.000 2.589 520 A HA 0.421 4.741 4.320 -0.000 0.000 0.296 520 A C -1.088 176.445 177.584 -0.085 0.000 1.062 520 A CA -0.844 51.145 52.037 -0.081 0.000 0.686 520 A CB 1.775 20.727 19.000 -0.079 0.000 1.282 520 A HN 0.523 nan 8.150 nan 0.000 0.404 521 S N 2.403 118.064 115.700 -0.064 0.000 2.646 521 S HA 0.727 5.197 4.470 -0.000 0.000 0.276 521 S C -2.400 172.164 174.600 -0.061 0.000 1.222 521 S CA -0.927 57.236 58.200 -0.061 0.000 1.014 521 S CB 0.842 64.011 63.200 -0.052 0.000 0.991 521 S HN 0.669 nan 8.310 nan 0.000 0.533 522 P HA 0.076 nan 4.420 nan 0.000 0.271 522 P C -0.219 177.041 177.300 -0.067 0.000 1.216 522 P CA -0.134 62.918 63.100 -0.080 0.000 0.771 522 P CB 0.471 32.104 31.700 -0.112 0.000 0.864 523 S N 3.830 119.494 115.700 -0.060 0.000 2.571 523 S HA -0.025 4.445 4.470 -0.000 0.000 0.298 523 S C -0.942 173.628 174.600 -0.051 0.000 1.280 523 S CA -0.672 57.498 58.200 -0.049 0.000 1.052 523 S CB -0.258 62.914 63.200 -0.047 0.000 0.799 523 S HN 0.405 nan 8.310 nan 0.000 0.501 524 P HA 0.082 nan 4.420 nan 0.000 0.235 524 P C 0.089 177.372 177.300 -0.028 0.000 1.177 524 P CA 0.302 63.383 63.100 -0.033 0.000 0.785 524 P CB -0.196 31.490 31.700 -0.024 0.000 0.885 525 T N 1.100 115.635 114.554 -0.031 0.000 2.910 525 T HA 0.255 4.604 4.350 -0.000 0.000 0.293 525 T C -0.320 174.357 174.700 -0.038 0.000 1.015 525 T CA -0.016 62.067 62.100 -0.029 0.000 1.094 525 T CB 0.574 69.423 68.868 -0.031 0.000 0.968 525 T HN -0.045 nan 8.240 nan 0.000 0.521 526 D N 2.749 123.133 120.400 -0.027 0.000 2.217 526 D HA 0.358 4.997 4.640 -0.000 0.000 0.243 526 D C -2.084 174.191 176.300 -0.041 0.000 1.054 526 D CA -1.377 52.606 54.000 -0.028 0.000 0.838 526 D CB 0.691 41.494 40.800 0.005 0.000 1.162 526 D HN 0.290 nan 8.370 nan 0.000 0.472 527 P HA -0.080 nan 4.420 nan 0.000 0.261 527 P C -0.454 176.852 177.300 0.008 0.000 1.173 527 P CA -0.078 62.923 63.100 -0.165 0.000 0.760 527 P CB 0.436 31.857 31.700 -0.464 0.000 0.783 528 V N 4.925 124.851 119.914 0.021 0.000 2.370 528 V HA -0.001 4.118 4.120 -0.000 0.000 0.257 528 V C 0.759 176.934 176.094 0.136 0.000 1.064 528 V CA -0.234 62.107 62.300 0.069 0.000 0.975 528 V CB 0.704 32.545 31.823 0.031 0.000 1.067 528 V HN 0.268 nan 8.190 nan 0.000 0.485 529 V N 8.886 128.859 119.914 0.099 0.000 2.389 529 V HA 0.213 4.333 4.120 -0.000 0.000 0.264 529 V C -1.373 174.702 176.094 -0.031 0.000 1.049 529 V CA -1.283 61.015 62.300 -0.003 0.000 0.932 529 V CB 0.674 32.484 31.823 -0.021 0.000 1.011 529 V HN 0.768 nan 8.190 nan 0.000 0.475 530 P HA 0.198 nan 4.420 nan 0.000 0.273 530 P C -0.281 177.058 177.300 0.066 0.000 1.252 530 P CA -0.104 62.974 63.100 -0.038 0.000 0.809 530 P CB 0.446 32.023 31.700 -0.206 0.000 1.017 531 A N -0.108 122.773 122.820 0.102 0.000 2.295 531 A HA 0.607 4.927 4.320 -0.000 0.000 0.318 531 A C -0.536 177.095 177.584 0.078 0.000 1.134 531 A CA -0.355 51.724 52.037 0.070 0.000 0.827 531 A CB 0.515 19.537 19.000 0.036 0.000 1.136 531 A HN 0.416 nan 8.150 nan 0.000 0.493 532 V N 0.119 120.029 119.914 -0.007 0.000 2.668 532 V HA 0.710 4.829 4.120 -0.000 0.000 0.304 532 V C -2.622 173.310 176.094 -0.271 0.000 1.071 532 V CA -1.777 60.428 62.300 -0.157 0.000 0.894 532 V CB 1.247 33.035 31.823 -0.060 0.000 1.008 532 V HN 0.872 nan 8.190 nan 0.000 0.425 533 P HA 0.299 nan 4.420 nan 0.000 0.269 533 P C 0.013 177.177 177.300 -0.227 0.000 1.217 533 P CA -0.085 62.833 63.100 -0.304 0.000 0.783 533 P CB 1.089 32.608 31.700 -0.301 0.000 0.898 534 I N 0.011 120.535 120.570 -0.077 0.000 2.764 534 I HA 0.412 4.582 4.170 -0.000 0.000 0.294 534 I C 1.182 177.327 176.117 0.048 0.000 1.045 534 I CA 0.874 62.176 61.300 0.004 0.000 1.340 534 I CB 0.392 38.393 38.000 0.002 0.000 1.436 534 I HN 0.805 nan 8.210 nan 0.000 0.567 535 G N 4.743 113.589 108.800 0.076 0.000 2.712 535 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.683 535 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.683 535 G C -2.737 172.232 174.900 0.116 0.000 1.320 535 G CA -1.100 44.044 45.100 0.072 0.000 0.847 535 G HN 0.524 nan 8.290 nan 0.000 0.553 536 P HA 0.302 nan 4.420 nan 0.000 0.267 536 P C -2.344 174.897 177.300 -0.097 0.000 1.200 536 P CA -0.488 62.586 63.100 -0.043 0.000 0.772 536 P CB -0.178 31.496 31.700 -0.044 0.000 0.855 537 P HA 0.136 nan 4.420 nan 0.000 0.273 537 P C -1.461 175.747 177.300 -0.152 0.000 1.250 537 P CA -1.254 61.594 63.100 -0.420 0.000 0.793 537 P CB -0.708 30.736 31.700 -0.427 0.000 1.011 538 P HA -0.025 nan 4.420 nan 0.000 0.231 538 P C -0.233 177.021 177.300 -0.077 0.000 1.158 538 P CA 0.926 63.989 63.100 -0.061 0.000 0.763 538 P CB -0.279 31.391 31.700 -0.049 0.000 0.805 539 A N -1.425 121.336 122.820 -0.098 0.000 2.434 539 A HA 0.166 4.486 4.320 -0.000 0.000 0.686 539 A C 0.452 177.981 177.584 -0.091 0.000 0.138 539 A CA 0.251 52.230 52.037 -0.096 0.000 0.027 539 A CB -1.614 17.330 19.000 -0.094 0.000 3.972 539 A HN 0.516 nan 8.150 nan 0.000 0.548 540 G N 0.122 108.871 108.800 -0.084 0.000 3.340 540 G HA2 0.622 4.582 3.960 -0.000 0.000 0.176 540 G HA3 0.622 4.582 3.960 -0.000 0.000 0.176 540 G C 0.492 175.302 174.900 -0.149 0.000 1.103 540 G CA 0.397 45.450 45.100 -0.079 0.000 0.779 540 G HN 0.864 nan 8.290 nan 0.000 0.673 541 F N 0.480 120.384 119.950 -0.077 0.000 2.325 541 F HA 0.176 4.703 4.527 -0.000 0.000 0.299 541 F C 2.820 178.474 175.800 -0.243 0.000 1.090 541 F CA 0.563 58.504 58.000 -0.098 0.000 1.392 541 F CB 0.148 39.124 39.000 -0.039 0.000 1.053 541 F HN 0.065 nan 8.300 nan 0.000 0.521 542 R N 1.106 121.552 120.500 -0.091 0.000 2.105 542 R HA -0.159 4.181 4.340 -0.000 0.000 0.239 542 R C 1.613 177.802 176.300 -0.185 0.000 1.135 542 R CA 1.696 57.676 56.100 -0.200 0.000 0.967 542 R CB -0.862 29.339 30.300 -0.164 0.000 0.861 542 R HN 0.294 nan 8.270 nan 0.000 0.442 543 D N 0.266 120.579 120.400 -0.144 0.000 2.077 543 D HA -0.167 4.472 4.640 -0.000 0.000 0.193 543 D C 2.130 178.356 176.300 -0.123 0.000 0.989 543 D CA 1.462 55.383 54.000 -0.131 0.000 0.831 543 D CB -0.326 40.400 40.800 -0.123 0.000 0.979 543 D HN 0.225 nan 8.370 nan 0.000 0.449 544 I N 0.920 121.416 120.570 -0.124 0.000 2.087 544 I HA -0.314 3.856 4.170 -0.000 0.000 0.240 544 I C 2.609 178.692 176.117 -0.058 0.000 1.054 544 I CA 0.752 62.007 61.300 -0.075 0.000 1.311 544 I CB -0.423 37.547 38.000 -0.049 0.000 1.024 544 I HN 0.022 nan 8.210 nan 0.000 0.402 545 L N 1.111 122.259 121.223 -0.126 0.000 2.017 545 L HA -0.299 4.041 4.340 -0.000 0.000 0.234 545 L C 2.411 179.197 176.870 -0.139 0.000 1.097 545 L CA 2.168 56.873 54.840 -0.224 0.000 0.816 545 L CB -0.903 40.860 42.059 -0.493 0.000 0.914 545 L HN 0.165 nan 8.230 nan 0.000 0.444 546 L N -0.907 120.226 121.223 -0.150 0.000 2.013 546 L HA -0.274 4.065 4.340 -0.000 0.000 0.212 546 L C 2.821 179.647 176.870 -0.074 0.000 1.073 546 L CA 2.018 56.791 54.840 -0.111 0.000 0.753 546 L CB -0.644 41.344 42.059 -0.117 0.000 0.890 546 L HN 0.398 nan 8.230 nan 0.000 0.432 547 R N 0.209 120.669 120.500 -0.067 0.000 2.189 547 R HA -0.122 4.218 4.340 -0.000 0.000 0.223 547 R C 0.939 177.225 176.300 -0.025 0.000 1.092 547 R CA 1.269 57.342 56.100 -0.045 0.000 0.989 547 R CB 0.230 30.502 30.300 -0.047 0.000 0.876 547 R HN 0.477 nan 8.270 nan 0.000 0.457 548 E N -1.409 118.782 120.200 -0.016 0.000 2.753 548 E HA 0.202 4.552 4.350 -0.000 0.000 0.218 548 E C -0.169 176.442 176.600 0.018 0.000 0.956 548 E CA 0.111 56.517 56.400 0.010 0.000 1.244 548 E CB 1.591 31.311 29.700 0.033 0.000 1.114 548 E HN 0.389 nan 8.360 nan 0.000 0.530 549 G N 2.879 111.674 108.800 -0.009 0.000 2.846 549 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.660 549 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.660 549 G C -2.060 172.839 174.900 -0.002 0.000 1.464 549 G CA -0.412 44.678 45.100 -0.018 0.000 0.891 549 G HN -0.026 nan 8.290 nan 0.000 0.552 550 P HA -0.033 nan 4.420 nan 0.000 0.236 550 P C 1.026 178.296 177.300 -0.050 0.000 1.172 550 P CA 1.311 64.312 63.100 -0.164 0.000 0.759 550 P CB 0.235 31.470 31.700 -0.775 0.000 0.843 551 E N 0.381 120.606 120.200 0.042 0.000 2.024 551 E HA -0.013 4.337 4.350 -0.000 0.000 0.190 551 E C 2.416 179.085 176.600 0.114 0.000 0.974 551 E CA 1.387 57.854 56.400 0.112 0.000 0.810 551 E CB -1.322 28.439 29.700 0.101 0.000 0.775 551 E HN 0.250 nan 8.360 nan 0.000 0.453 552 G N 0.767 109.633 108.800 0.110 0.000 2.443 552 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.219 552 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.219 552 G C 1.510 176.520 174.900 0.184 0.000 1.131 552 G CA 0.393 45.563 45.100 0.115 0.000 0.775 552 G HN 0.223 nan 8.290 nan 0.000 0.547 553 F N 2.058 122.027 119.950 0.033 0.000 2.026 553 F HA -0.044 4.483 4.527 -0.000 0.000 0.296 553 F C 2.910 178.777 175.800 0.113 0.000 1.133 553 F CA 1.549 59.589 58.000 0.066 0.000 1.188 553 F CB -0.083 38.915 39.000 -0.004 0.000 0.968 553 F HN 0.242 nan 8.300 nan 0.000 0.476 554 A N 0.872 123.596 122.820 -0.160 0.000 1.917 554 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 554 A C 2.131 179.658 177.584 -0.096 0.000 1.182 554 A CA 2.127 54.029 52.037 -0.225 0.000 0.633 554 A CB -0.884 18.107 19.000 -0.015 0.000 0.819 554 A HN 0.555 nan 8.150 nan 0.000 0.448 555 R N -0.538 119.966 120.500 0.006 0.000 2.070 555 R HA -0.065 4.274 4.340 -0.000 0.000 0.233 555 R C 2.552 178.888 176.300 0.060 0.000 1.137 555 R CA 1.359 57.482 56.100 0.038 0.000 0.945 555 R CB -0.625 29.710 30.300 0.058 0.000 0.845 555 R HN 0.493 nan 8.270 nan 0.000 0.430 556 A N 0.875 123.759 122.820 0.106 0.000 1.917 556 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 556 A C 2.418 180.159 177.584 0.262 0.000 1.182 556 A CA 1.718 53.876 52.037 0.201 0.000 0.633 556 A CB -0.704 18.462 19.000 0.277 0.000 0.819 556 A HN 0.134 nan 8.150 nan 0.000 0.448 557 V N -0.046 119.928 119.914 0.100 0.000 2.237 557 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 557 V C 2.655 178.764 176.094 0.025 0.000 1.046 557 V CA 2.401 64.691 62.300 -0.017 0.000 1.007 557 V CB -0.778 30.873 31.823 -0.286 0.000 0.638 557 V HN 0.637 nan 8.190 nan 0.000 0.445 558 R N 1.016 121.510 120.500 -0.011 0.000 2.193 558 R HA -0.065 4.275 4.340 -0.000 0.000 0.229 558 R C 1.560 177.888 176.300 0.047 0.000 1.110 558 R CA 1.384 57.487 56.100 0.006 0.000 0.988 558 R CB -0.516 29.784 30.300 -0.000 0.000 0.871 558 R HN 0.568 nan 8.270 nan 0.000 0.458 559 N N -0.420 118.328 118.700 0.081 0.000 2.230 559 N HA -0.054 4.686 4.740 -0.000 0.000 0.202 559 N C -0.697 174.872 175.510 0.098 0.000 1.119 559 N CA -0.031 53.063 53.050 0.074 0.000 0.851 559 N CB 0.169 38.693 38.487 0.061 0.000 0.990 559 N HN 0.283 nan 8.380 nan 0.000 0.497 560 H N 2.837 121.951 119.070 0.074 0.000 2.690 560 H HA 0.129 4.685 4.556 -0.000 0.000 0.314 560 H C -0.994 174.369 175.328 0.057 0.000 1.069 560 H CA -1.111 54.998 56.048 0.101 0.000 1.436 560 H CB 1.316 31.187 29.762 0.181 0.000 1.462 560 H HN -0.000 nan 8.280 nan 0.000 0.511 561 P HA -0.097 nan 4.420 nan 0.000 0.208 561 P C 0.685 177.969 177.300 -0.026 0.000 1.195 561 P CA 1.077 64.080 63.100 -0.163 0.000 0.927 561 P CB -0.354 31.216 31.700 -0.217 0.000 0.778 562 G N 0.299 109.103 108.800 0.007 0.000 2.684 562 G HA2 0.279 4.239 3.960 -0.000 0.000 0.255 562 G HA3 0.279 4.239 3.960 -0.000 0.000 0.255 562 G C -0.421 174.609 174.900 0.218 0.000 1.219 562 G CA -0.462 44.724 45.100 0.144 0.000 0.901 562 G HN 0.318 nan 8.290 nan 0.000 0.548 563 L N -0.426 120.865 121.223 0.114 0.000 2.426 563 L HA 0.466 4.806 4.340 -0.000 0.000 0.271 563 L C -0.011 176.876 176.870 0.028 0.000 1.169 563 L CA -0.086 54.785 54.840 0.052 0.000 0.836 563 L CB 0.475 42.545 42.059 0.017 0.000 1.112 563 L HN 0.334 nan 8.230 nan 0.000 0.465 564 L N 5.439 126.626 121.223 -0.060 0.000 2.352 564 L HA 0.556 4.895 4.340 -0.000 0.000 0.269 564 L C -0.359 176.432 176.870 -0.131 0.000 1.034 564 L CA -0.754 54.005 54.840 -0.135 0.000 0.806 564 L CB 1.570 43.476 42.059 -0.256 0.000 1.244 564 L HN 0.631 nan 8.230 nan 0.000 0.447 565 L N 1.478 122.649 121.223 -0.086 0.000 2.277 565 L HA 0.684 5.024 4.340 -0.000 0.000 0.254 565 L C -0.681 176.196 176.870 0.011 0.000 1.044 565 L CA -0.658 54.154 54.840 -0.046 0.000 0.842 565 L CB 2.338 44.378 42.059 -0.033 0.000 1.422 565 L HN 0.569 nan 8.230 nan 0.000 0.422 566 M N 1.018 120.651 119.600 0.056 0.000 2.433 566 M HA 0.377 4.857 4.480 -0.000 0.000 0.290 566 M C -2.076 174.239 176.300 0.025 0.000 1.173 566 M CA -0.482 54.884 55.300 0.111 0.000 0.905 566 M CB 2.558 35.327 32.600 0.282 0.000 1.692 566 M HN 0.549 nan 8.290 nan 0.000 0.462 567 D N 1.925 122.308 120.400 -0.029 0.000 2.317 567 D HA 0.294 4.934 4.640 -0.000 0.000 0.234 567 D C 0.658 176.949 176.300 -0.015 0.000 1.112 567 D CA -0.050 53.914 54.000 -0.059 0.000 0.840 567 D CB 1.349 42.068 40.800 -0.136 0.000 1.078 567 D HN 0.667 nan 8.370 nan 0.000 0.486 568 T N -0.510 114.040 114.554 -0.007 0.000 3.086 568 T HA 0.022 4.372 4.350 -0.000 0.000 0.250 568 T C 1.522 176.209 174.700 -0.022 0.000 1.074 568 T CA -0.124 61.977 62.100 0.002 0.000 0.988 568 T CB 0.017 68.891 68.868 0.010 0.000 0.988 568 T HN 0.274 nan 8.240 nan 0.000 0.530 569 T N 1.692 116.221 114.554 -0.042 0.000 2.803 569 T HA 0.012 4.362 4.350 -0.000 0.000 0.269 569 T C 0.919 175.557 174.700 -0.103 0.000 1.052 569 T CA 1.020 62.981 62.100 -0.231 0.000 1.136 569 T CB -0.476 68.147 68.868 -0.409 0.000 0.864 569 T HN 0.390 nan 8.240 nan 0.000 0.467 570 F N 0.501 120.402 119.950 -0.081 0.000 2.748 570 F HA 0.263 4.789 4.527 -0.000 0.000 0.299 570 F C 2.237 178.131 175.800 0.156 0.000 1.154 570 F CA 0.179 58.222 58.000 0.072 0.000 1.446 570 F CB 0.025 39.066 39.000 0.069 0.000 1.112 570 F HN -0.059 nan 8.300 nan 0.000 0.584 571 R N -0.558 120.056 120.500 0.189 0.000 4.494 571 R HA 0.061 4.400 4.340 -0.000 0.000 0.124 571 R C 1.402 177.544 176.300 -0.263 0.000 1.588 571 R CA 0.497 56.594 56.100 -0.005 0.000 1.083 571 R CB -0.865 29.443 30.300 0.014 0.000 1.313 571 R HN -0.073 nan 8.270 nan 0.000 0.426 572 D N 1.320 121.627 120.400 -0.154 0.000 2.264 572 D HA 0.039 4.679 4.640 -0.000 0.000 0.208 572 D C 1.407 177.573 176.300 -0.223 0.000 0.966 572 D CA 1.100 54.999 54.000 -0.168 0.000 0.864 572 D CB 0.230 41.026 40.800 -0.008 0.000 0.933 572 D HN 0.387 nan 8.370 nan 0.000 0.499 573 A N 0.326 123.028 122.820 -0.198 0.000 1.873 573 A HA -0.174 4.146 4.320 -0.000 0.000 0.215 573 A C 2.056 179.508 177.584 -0.220 0.000 1.186 573 A CA 1.693 53.599 52.037 -0.220 0.000 0.616 573 A CB -0.905 17.951 19.000 -0.240 0.000 0.823 573 A HN 0.568 nan 8.150 nan 0.000 0.442 574 H N -1.151 117.766 119.070 -0.254 0.000 2.551 574 H HA 0.102 4.658 4.556 -0.000 0.000 0.266 574 H C 1.724 176.927 175.328 -0.210 0.000 0.964 574 H CA 1.032 56.928 56.048 -0.252 0.000 1.180 574 H CB -0.293 29.289 29.762 -0.299 0.000 1.408 574 H HN 0.655 nan 8.280 nan 0.000 0.563 575 Q N 1.361 120.780 119.800 -0.635 0.000 2.245 575 Q HA -0.029 4.310 4.340 -0.000 0.000 0.201 575 Q C 1.301 177.152 176.000 -0.248 0.000 0.955 575 Q CA 1.193 56.722 55.803 -0.457 0.000 0.870 575 Q CB 0.374 28.861 28.738 -0.418 0.000 0.945 575 Q HN 0.352 nan 8.270 nan 0.000 0.461 576 S N -0.189 115.365 115.700 -0.243 0.000 2.456 576 S HA 0.125 4.595 4.470 -0.000 0.000 0.224 576 S C 1.636 176.137 174.600 -0.163 0.000 1.035 576 S CA 0.277 58.355 58.200 -0.202 0.000 0.940 576 S CB 0.225 63.241 63.200 -0.306 0.000 0.799 576 S HN 0.333 nan 8.310 nan 0.000 0.508 577 L N 0.183 121.309 121.223 -0.161 0.000 2.388 577 L HA 0.329 4.668 4.340 -0.000 0.000 0.209 577 L C 0.894 177.713 176.870 -0.085 0.000 1.061 577 L CA 0.693 55.460 54.840 -0.122 0.000 0.834 577 L CB -0.082 41.902 42.059 -0.125 0.000 1.029 577 L HN 0.178 nan 8.230 nan 0.000 0.473 578 L N 0.467 121.643 121.223 -0.077 0.000 3.017 578 L HA 0.396 4.736 4.340 -0.000 0.000 0.255 578 L C 0.780 177.615 176.870 -0.057 0.000 1.247 578 L CA -0.254 54.564 54.840 -0.036 0.000 1.038 578 L CB 0.295 42.303 42.059 -0.085 0.000 1.380 578 L HN 0.235 nan 8.230 nan 0.000 0.548 579 A N -0.470 122.298 122.820 -0.086 0.000 2.822 579 A HA -0.260 4.059 4.320 -0.000 0.000 0.287 579 A C 1.068 178.562 177.584 -0.149 0.000 1.479 579 A CA 0.780 52.748 52.037 -0.114 0.000 0.779 579 A CB -2.323 16.624 19.000 -0.087 0.000 1.022 579 A HN 0.609 nan 8.150 nan 0.000 0.532 580 T N -1.557 112.917 114.554 -0.133 0.000 3.799 580 T HA -0.267 4.083 4.350 -0.000 0.000 0.358 580 T C 0.799 175.505 174.700 0.010 0.000 0.759 580 T CA 1.537 63.577 62.100 -0.101 0.000 1.869 580 T CB -0.989 67.775 68.868 -0.173 0.000 1.837 580 T HN 0.841 nan 8.240 nan 0.000 0.762 581 R N -0.176 120.258 120.500 -0.109 0.000 2.334 581 R HA 0.246 4.586 4.340 -0.000 0.000 0.216 581 R C 0.739 176.867 176.300 -0.287 0.000 0.905 581 R CA -0.091 55.824 56.100 -0.307 0.000 1.064 581 R CB -0.002 29.858 30.300 -0.733 0.000 1.046 581 R HN 0.455 nan 8.270 nan 0.000 0.508 582 V N 2.924 122.495 119.914 -0.573 0.000 2.529 582 V HA 0.021 4.141 4.120 -0.000 0.000 0.292 582 V C 1.005 176.907 176.094 -0.321 0.000 1.028 582 V CA 0.206 62.051 62.300 -0.758 0.000 1.074 582 V CB 0.429 31.524 31.823 -1.213 0.000 0.958 582 V HN 0.097 nan 8.190 nan 0.000 0.481 583 R N 2.917 123.370 120.500 -0.079 0.000 2.500 583 R HA 0.290 4.629 4.340 -0.000 0.000 0.275 583 R C 1.401 177.675 176.300 -0.044 0.000 1.051 583 R CA -0.370 55.678 56.100 -0.087 0.000 1.088 583 R CB 0.618 30.841 30.300 -0.128 0.000 1.063 583 R HN 0.765 nan 8.270 nan 0.000 0.511 584 T N 0.979 115.522 114.554 -0.019 0.000 2.653 584 T HA -0.268 4.082 4.350 -0.000 0.000 0.268 584 T C 1.649 176.385 174.700 0.060 0.000 1.035 584 T CA 1.640 63.763 62.100 0.038 0.000 1.154 584 T CB -0.446 68.463 68.868 0.069 0.000 0.862 584 T HN 0.589 nan 8.240 nan 0.000 0.441 585 H N 1.827 120.884 119.070 -0.022 0.000 2.292 585 H HA -0.156 4.400 4.556 -0.000 0.000 0.292 585 H C 1.668 176.996 175.328 -0.001 0.000 1.100 585 H CA 2.138 58.182 56.048 -0.006 0.000 1.238 585 H CB -0.384 29.365 29.762 -0.023 0.000 1.355 585 H HN 0.354 nan 8.280 nan 0.000 0.484 586 D N 0.174 120.702 120.400 0.212 0.000 2.312 586 D HA -0.048 4.591 4.640 -0.000 0.000 0.211 586 D C 2.458 178.736 176.300 -0.037 0.000 0.964 586 D CA 0.330 54.409 54.000 0.131 0.000 0.877 586 D CB 0.219 41.086 40.800 0.110 0.000 0.924 586 D HN 0.420 nan 8.370 nan 0.000 0.515 587 L N 0.535 121.710 121.223 -0.081 0.000 2.209 587 L HA -0.030 4.309 4.340 -0.000 0.000 0.207 587 L C 2.374 179.297 176.870 0.089 0.000 1.094 587 L CA 0.645 55.390 54.840 -0.157 0.000 0.790 587 L CB -0.018 41.943 42.059 -0.163 0.000 0.932 587 L HN -0.151 nan 8.230 nan 0.000 0.447 588 K N -0.056 120.372 120.400 0.046 0.000 2.097 588 K HA -0.108 4.211 4.320 -0.000 0.000 0.205 588 K C 2.047 178.644 176.600 -0.005 0.000 1.050 588 K CA 0.695 57.013 56.287 0.051 0.000 0.938 588 K CB -0.012 32.477 32.500 -0.017 0.000 0.718 588 K HN 0.119 nan 8.250 nan 0.000 0.442 589 K N 1.213 121.558 120.400 -0.092 0.000 2.001 589 K HA -0.164 4.156 4.320 -0.000 0.000 0.214 589 K C 2.008 178.480 176.600 -0.214 0.000 1.050 589 K CA 1.204 57.404 56.287 -0.146 0.000 0.934 589 K CB -0.509 31.923 32.500 -0.113 0.000 0.718 589 K HN 0.103 nan 8.250 nan 0.000 0.443 590 I N 0.851 121.196 120.570 -0.376 0.000 3.684 590 I HA 0.002 4.171 4.170 -0.000 0.000 0.304 590 I C 1.614 177.846 176.117 0.192 0.000 1.278 590 I CA 0.069 61.183 61.300 -0.309 0.000 1.272 590 I CB -0.305 37.268 38.000 -0.713 0.000 1.029 590 I HN 0.091 nan 8.210 nan 0.000 0.458 591 A N 1.541 124.491 122.820 0.216 0.000 1.845 591 A HA -0.056 4.264 4.320 -0.000 0.000 0.215 591 A C 0.057 177.739 177.584 0.162 0.000 1.195 591 A CA 1.685 53.868 52.037 0.242 0.000 0.616 591 A CB -2.021 17.108 19.000 0.214 0.000 0.832 591 A HN 0.341 nan 8.150 nan 0.000 0.443 592 P HA -0.206 nan 4.420 nan 0.000 0.216 592 P C 1.448 178.859 177.300 0.185 0.000 1.153 592 P CA 1.425 64.606 63.100 0.135 0.000 0.858 592 P CB -0.204 31.581 31.700 0.140 0.000 0.789 593 Y N 0.586 120.940 120.300 0.089 0.000 2.053 593 Y HA -0.270 4.280 4.550 -0.000 0.000 0.277 593 Y C 2.138 178.071 175.900 0.054 0.000 1.159 593 Y CA 1.558 59.704 58.100 0.076 0.000 1.125 593 Y CB -1.149 37.355 38.460 0.074 0.000 0.969 593 Y HN -0.288 nan 8.280 nan 0.000 0.492 594 V N 0.674 120.704 119.914 0.193 0.000 2.252 594 V HA -0.420 3.700 4.120 -0.000 0.000 0.249 594 V C 2.716 178.791 176.094 -0.032 0.000 1.056 594 V CA 2.214 64.599 62.300 0.142 0.000 1.022 594 V CB -1.872 30.046 31.823 0.157 0.000 0.641 594 V HN 0.608 nan 8.190 nan 0.000 0.445 595 A N -1.157 121.637 122.820 -0.043 0.000 1.927 595 A HA -0.310 4.009 4.320 -0.000 0.000 0.220 595 A C 2.145 179.593 177.584 -0.227 0.000 1.185 595 A CA 2.315 54.275 52.037 -0.129 0.000 0.639 595 A CB -0.811 18.089 19.000 -0.167 0.000 0.820 595 A HN 0.710 nan 8.150 nan 0.000 0.451 596 H N -0.817 118.130 119.070 -0.204 0.000 2.403 596 H HA 0.030 4.586 4.556 -0.000 0.000 0.298 596 H C 1.610 176.703 175.328 -0.393 0.000 1.059 596 H CA 1.430 57.318 56.048 -0.266 0.000 1.363 596 H CB 0.052 29.656 29.762 -0.263 0.000 1.410 596 H HN 0.544 nan 8.280 nan 0.000 0.528 597 N N -0.117 118.263 118.700 -0.533 0.000 2.432 597 N HA -0.022 4.718 4.740 -0.000 0.000 0.174 597 N C -0.117 174.931 175.510 -0.770 0.000 1.037 597 N CA 0.229 52.795 53.050 -0.807 0.000 0.892 597 N CB 0.437 38.082 38.487 -1.404 0.000 1.049 597 N HN 0.127 nan 8.380 nan 0.000 0.442 598 F N 1.387 121.227 119.950 -0.183 0.000 2.732 598 F HA 0.220 4.747 4.527 -0.000 0.000 0.312 598 F C 1.700 177.451 175.800 -0.081 0.000 1.240 598 F CA -0.640 57.284 58.000 -0.127 0.000 1.211 598 F CB 0.395 39.294 39.000 -0.169 0.000 1.331 598 F HN -0.048 nan 8.300 nan 0.000 0.537 599 S N -0.216 115.506 115.700 0.037 0.000 2.371 599 S HA -0.144 4.326 4.470 -0.000 0.000 0.224 599 S C 1.783 176.459 174.600 0.126 0.000 1.029 599 S CA 0.563 58.786 58.200 0.040 0.000 0.978 599 S CB -0.216 62.972 63.200 -0.021 0.000 0.833 599 S HN 0.459 nan 8.310 nan 0.000 0.466 600 K N 1.004 121.487 120.400 0.137 0.000 2.520 600 K HA 0.102 4.422 4.320 -0.000 0.000 0.197 600 K C 0.567 177.312 176.600 0.242 0.000 1.043 600 K CA 0.126 56.540 56.287 0.211 0.000 0.944 600 K CB -0.590 32.006 32.500 0.159 0.000 0.770 600 K HN 0.441 nan 8.250 nan 0.000 0.480 601 L N 1.466 122.795 121.223 0.177 0.000 2.525 601 L HA -0.108 4.232 4.340 -0.000 0.000 0.278 601 L C 1.299 178.172 176.870 0.005 0.000 1.218 601 L CA -0.099 54.791 54.840 0.083 0.000 0.878 601 L CB 0.305 42.397 42.059 0.055 0.000 1.127 601 L HN 0.056 nan 8.230 nan 0.000 0.492 602 F N 3.533 123.316 119.950 -0.278 0.000 2.022 602 F HA -0.114 4.412 4.527 -0.000 0.000 0.293 602 F C 1.316 177.013 175.800 -0.171 0.000 1.142 602 F CA 1.360 59.083 58.000 -0.461 0.000 1.177 602 F CB 0.123 38.848 39.000 -0.458 0.000 0.982 602 F HN 0.594 nan 8.300 nan 0.000 0.473 603 S N -0.303 115.366 115.700 -0.052 0.000 2.794 603 S HA 0.491 4.961 4.470 -0.000 0.000 0.299 603 S C -0.898 173.692 174.600 -0.017 0.000 1.179 603 S CA -0.949 57.189 58.200 -0.102 0.000 0.838 603 S CB 1.749 64.937 63.200 -0.020 0.000 1.206 603 S HN 0.344 nan 8.310 nan 0.000 0.523 604 M N 1.755 121.302 119.600 -0.088 0.000 2.124 604 M HA 0.422 4.902 4.480 -0.000 0.000 0.280 604 M C -1.203 174.988 176.300 -0.182 0.000 0.954 604 M CA -0.119 55.065 55.300 -0.194 0.000 0.958 604 M CB 1.634 33.996 32.600 -0.397 0.000 1.611 604 M HN 0.976 nan 8.290 nan 0.000 0.449 605 E N 3.315 123.472 120.200 -0.073 0.000 2.259 605 E HA 0.163 4.513 4.350 -0.000 0.000 0.281 605 E C -0.215 176.386 176.600 0.001 0.000 1.037 605 E CA 0.183 56.568 56.400 -0.025 0.000 0.854 605 E CB 0.665 30.371 29.700 0.011 0.000 1.051 605 E HN 0.840 nan 8.360 nan 0.000 0.409 606 N N 3.407 122.130 118.700 0.038 0.000 1.899 606 N HA 0.051 4.791 4.740 -0.000 0.000 0.223 606 N C -1.064 174.628 175.510 0.304 0.000 1.411 606 N CA -0.433 52.730 53.050 0.188 0.000 0.737 606 N CB -0.107 38.395 38.487 0.025 0.000 1.100 606 N HN 0.360 nan 8.380 nan 0.000 0.527 607 W N 0.670 121.959 121.300 -0.018 0.000 3.038 607 W HA 0.712 5.371 4.660 -0.000 0.000 0.347 607 W C 0.558 177.074 176.519 -0.006 0.000 1.219 607 W CA 1.003 58.347 57.345 -0.001 0.000 1.142 607 W CB 1.235 30.685 29.460 -0.017 0.000 1.484 607 W HN 0.414 nan 8.180 nan 0.000 0.586 608 G N 1.012 109.639 108.800 -0.288 0.000 2.693 608 G HA2 0.383 4.343 3.960 -0.000 0.000 0.226 608 G HA3 0.383 4.343 3.960 -0.000 0.000 0.226 608 G C 0.514 175.306 174.900 -0.180 0.000 1.354 608 G CA 0.617 45.584 45.100 -0.222 0.000 0.873 608 G HN 2.251 nan 8.290 nan 0.000 0.562 609 G N -1.461 107.281 108.800 -0.098 0.000 2.564 609 G HA2 0.193 4.153 3.960 -0.000 0.000 0.273 609 G HA3 0.193 4.153 3.960 -0.000 0.000 0.273 609 G C 1.646 176.502 174.900 -0.074 0.000 1.242 609 G CA 2.380 47.430 45.100 -0.083 0.000 0.951 609 G HN 2.536 nan 8.290 nan 0.000 0.564 610 A N -1.106 121.665 122.820 -0.082 0.000 1.930 610 A HA 0.119 4.438 4.320 -0.000 0.000 0.217 610 A C 2.909 180.422 177.584 -0.118 0.000 1.175 610 A CA 3.785 55.781 52.037 -0.068 0.000 0.627 610 A CB -1.517 17.443 19.000 -0.068 0.000 0.815 610 A HN 2.568 nan 8.150 nan 0.000 0.443 611 T N -1.952 112.510 114.554 -0.153 0.000 2.572 611 T HA -0.391 3.959 4.350 -0.000 0.000 0.258 611 T C 1.643 176.190 174.700 -0.255 0.000 1.154 611 T CA 2.175 64.167 62.100 -0.181 0.000 1.157 611 T CB -1.013 67.742 68.868 -0.189 0.000 0.856 611 T HN 0.435 nan 8.240 nan 0.000 0.443 612 F N 3.012 122.669 119.950 -0.489 0.000 2.085 612 F HA -0.181 4.346 4.527 -0.000 0.000 0.299 612 F C 2.293 177.799 175.800 -0.490 0.000 1.096 612 F CA 2.325 60.014 58.000 -0.519 0.000 1.227 612 F CB -0.722 37.972 39.000 -0.510 0.000 0.983 612 F HN 0.318 nan 8.300 nan 0.000 0.482 613 D N -0.213 119.949 120.400 -0.397 0.000 2.077 613 D HA -0.147 4.492 4.640 -0.000 0.000 0.196 613 D C 2.259 178.246 176.300 -0.522 0.000 0.986 613 D CA 1.971 55.558 54.000 -0.689 0.000 0.829 613 D CB -0.508 40.010 40.800 -0.471 0.000 0.983 613 D HN 0.155 nan 8.370 nan 0.000 0.453 614 V N 1.559 121.289 119.914 -0.306 0.000 2.380 614 V HA -0.248 3.871 4.120 -0.000 0.000 0.251 614 V C 2.743 178.663 176.094 -0.289 0.000 1.063 614 V CA 1.889 64.083 62.300 -0.176 0.000 1.055 614 V CB -1.238 30.565 31.823 -0.032 0.000 0.657 614 V HN 0.335 nan 8.190 nan 0.000 0.455 615 A N -0.744 121.862 122.820 -0.357 0.000 2.032 615 A HA -0.240 4.079 4.320 -0.000 0.000 0.221 615 A C 2.183 179.441 177.584 -0.543 0.000 1.165 615 A CA 2.561 54.359 52.037 -0.398 0.000 0.645 615 A CB -0.387 18.360 19.000 -0.422 0.000 0.807 615 A HN 0.601 nan 8.150 nan 0.000 0.453 616 M N -3.106 116.107 119.600 -0.644 0.000 2.838 616 M HA 0.176 4.656 4.480 -0.000 0.000 0.251 616 M C 2.185 178.170 176.300 -0.526 0.000 1.393 616 M CA 0.648 55.526 55.300 -0.703 0.000 1.196 616 M CB 0.016 32.180 32.600 -0.727 0.000 1.276 616 M HN 0.332 nan 8.290 nan 0.000 0.541 617 R N 0.470 120.611 120.500 -0.600 0.000 2.096 617 R HA -0.077 4.262 4.340 -0.000 0.000 0.235 617 R C 1.076 176.718 176.300 -1.096 0.000 1.127 617 R CA 1.906 57.519 56.100 -0.812 0.000 0.968 617 R CB 0.162 29.865 30.300 -0.996 0.000 0.861 617 R HN 0.333 nan 8.270 nan 0.000 0.440 618 F N -2.050 117.588 119.950 -0.520 0.000 2.729 618 F HA 0.178 4.705 4.527 -0.000 0.000 0.304 618 F C 1.400 176.859 175.800 -0.567 0.000 1.008 618 F CA -0.419 57.270 58.000 -0.517 0.000 1.188 618 F CB 0.467 39.315 39.000 -0.254 0.000 0.980 618 F HN -0.144 nan 8.300 nan 0.000 0.627 619 L N -1.253 119.784 121.223 -0.310 0.000 2.554 619 L HA 0.142 4.482 4.340 -0.000 0.000 0.225 619 L C 0.016 176.891 176.870 0.008 0.000 1.104 619 L CA 0.097 54.834 54.840 -0.172 0.000 0.866 619 L CB -0.645 41.267 42.059 -0.246 0.000 1.047 619 L HN 0.175 nan 8.230 nan 0.000 0.468 620 Y N 0.107 120.470 120.300 0.105 0.000 3.825 620 Y HA -0.279 4.271 4.550 -0.000 0.000 0.221 620 Y C 0.436 176.586 175.900 0.418 0.000 1.195 620 Y CA 0.169 58.461 58.100 0.320 0.000 1.699 620 Y CB -2.489 36.175 38.460 0.340 0.000 1.531 620 Y HN 0.425 nan 8.280 nan 0.000 0.640 621 E N -0.806 119.474 120.200 0.133 0.000 2.264 621 E HA 0.565 4.915 4.350 -0.000 0.000 0.260 621 E C -0.623 175.870 176.600 -0.178 0.000 0.961 621 E CA -1.009 55.465 56.400 0.123 0.000 0.834 621 E CB 2.101 31.799 29.700 -0.003 0.000 1.230 621 E HN 0.240 nan 8.360 nan 0.000 0.412 622 C N 2.886 122.224 119.300 0.063 0.000 2.307 622 C HA 0.328 4.788 4.460 -0.000 0.000 0.340 622 C C -1.187 173.825 174.990 0.037 0.000 1.275 622 C CA -2.128 56.905 59.018 0.025 0.000 1.811 622 C CB 0.102 28.065 27.740 0.372 0.000 2.372 622 C HN 0.612 nan 8.230 nan 0.000 0.531 623 P HA -0.098 nan 4.420 nan 0.000 0.218 623 P C 1.013 178.527 177.300 0.358 0.000 1.149 623 P CA 1.720 64.809 63.100 -0.018 0.000 0.817 623 P CB 0.063 31.457 31.700 -0.510 0.000 0.785 624 W N 0.353 121.912 121.300 0.432 0.000 2.379 624 W HA -0.006 4.653 4.660 -0.000 0.000 0.307 624 W C 2.780 179.425 176.519 0.209 0.000 1.200 624 W CA 0.267 57.826 57.345 0.357 0.000 1.297 624 W CB -1.016 28.613 29.460 0.283 0.000 1.140 624 W HN -0.195 nan 8.180 nan 0.000 0.507 625 R N 0.647 121.389 120.500 0.403 0.000 2.094 625 R HA -0.185 4.154 4.340 -0.000 0.000 0.239 625 R C 2.034 178.464 176.300 0.218 0.000 1.137 625 R CA 1.815 58.074 56.100 0.265 0.000 0.943 625 R CB -1.365 29.074 30.300 0.232 0.000 0.850 625 R HN 0.278 nan 8.270 nan 0.000 0.433 626 R N 0.502 121.142 120.500 0.234 0.000 2.115 626 R HA -0.205 4.135 4.340 -0.000 0.000 0.239 626 R C 2.298 178.724 176.300 0.210 0.000 1.133 626 R CA 2.019 58.256 56.100 0.228 0.000 0.935 626 R CB -0.618 29.849 30.300 0.279 0.000 0.853 626 R HN 0.136 nan 8.270 nan 0.000 0.433 627 L N 1.492 122.808 121.223 0.155 0.000 1.971 627 L HA -0.262 4.078 4.340 -0.000 0.000 0.215 627 L C 2.285 179.180 176.870 0.041 0.000 1.072 627 L CA 2.006 56.806 54.840 -0.067 0.000 0.758 627 L CB -0.836 40.895 42.059 -0.547 0.000 0.889 627 L HN 0.360 nan 8.230 nan 0.000 0.433 628 Q N -0.802 119.035 119.800 0.060 0.000 2.077 628 Q HA -0.235 4.105 4.340 -0.000 0.000 0.206 628 Q C 2.012 178.050 176.000 0.063 0.000 0.989 628 Q CA 1.844 57.677 55.803 0.050 0.000 0.853 628 Q CB -0.507 28.283 28.738 0.087 0.000 0.907 628 Q HN 0.634 nan 8.270 nan 0.000 0.418 629 E N 0.769 121.031 120.200 0.102 0.000 2.110 629 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 629 E C 2.127 178.799 176.600 0.120 0.000 0.988 629 E CA 0.953 57.414 56.400 0.100 0.000 0.804 629 E CB -0.071 29.696 29.700 0.111 0.000 0.745 629 E HN 0.414 nan 8.360 nan 0.000 0.458 630 L N 0.187 121.520 121.223 0.182 0.000 2.131 630 L HA -0.051 4.289 4.340 -0.000 0.000 0.206 630 L C 2.628 179.689 176.870 0.317 0.000 1.087 630 L CA 0.446 55.448 54.840 0.269 0.000 0.767 630 L CB -0.239 42.019 42.059 0.332 0.000 0.917 630 L HN -0.004 nan 8.230 nan 0.000 0.441 631 R N 0.573 121.180 120.500 0.177 0.000 2.105 631 R HA -0.188 4.152 4.340 -0.000 0.000 0.239 631 R C 2.196 178.417 176.300 -0.132 0.000 1.135 631 R CA 1.351 57.305 56.100 -0.243 0.000 0.967 631 R CB -0.328 29.759 30.300 -0.355 0.000 0.861 631 R HN 0.192 nan 8.270 nan 0.000 0.442 632 E N 0.430 120.611 120.200 -0.032 0.000 2.031 632 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 632 E C 1.854 178.450 176.600 -0.006 0.000 0.994 632 E CA 1.572 57.958 56.400 -0.024 0.000 0.800 632 E CB -0.183 29.521 29.700 0.008 0.000 0.752 632 E HN 0.422 nan 8.360 nan 0.000 0.447 633 L N 0.170 121.419 121.223 0.044 0.000 2.376 633 L HA 0.033 4.372 4.340 -0.000 0.000 0.219 633 L C 0.811 177.704 176.870 0.038 0.000 1.133 633 L CA 0.462 55.332 54.840 0.050 0.000 0.816 633 L CB 0.026 42.139 42.059 0.089 0.000 0.933 633 L HN 0.021 nan 8.230 nan 0.000 0.449 634 I N -0.235 120.375 120.570 0.068 0.000 2.714 634 I HA 0.179 4.349 4.170 -0.000 0.000 0.276 634 I C -1.956 174.153 176.117 -0.012 0.000 1.196 634 I CA -0.950 60.385 61.300 0.059 0.000 1.068 634 I CB 1.503 39.611 38.000 0.179 0.000 1.291 634 I HN -0.199 nan 8.210 nan 0.000 0.530 635 P HA -0.015 nan 4.420 nan 0.000 0.245 635 P C 0.473 177.690 177.300 -0.139 0.000 1.206 635 P CA 0.887 63.894 63.100 -0.155 0.000 0.781 635 P CB 0.265 31.884 31.700 -0.136 0.000 0.994 636 N N 0.266 118.904 118.700 -0.103 0.000 2.388 636 N HA 0.038 4.778 4.740 -0.000 0.000 0.176 636 N C 0.520 175.997 175.510 -0.055 0.000 1.062 636 N CA 0.068 53.062 53.050 -0.093 0.000 0.895 636 N CB -0.339 38.087 38.487 -0.103 0.000 1.018 636 N HN 0.183 nan 8.380 nan 0.000 0.456 637 I N 1.636 122.203 120.570 -0.005 0.000 2.377 637 I HA 0.358 4.527 4.170 -0.000 0.000 0.293 637 I C -2.438 173.731 176.117 0.086 0.000 0.987 637 I CA -2.507 58.814 61.300 0.036 0.000 1.185 637 I CB 1.903 39.927 38.000 0.040 0.000 1.341 637 I HN -0.274 nan 8.210 nan 0.000 0.455 638 P HA 0.003 nan 4.420 nan 0.000 0.266 638 P C -0.963 176.432 177.300 0.159 0.000 1.195 638 P CA 0.237 63.294 63.100 -0.073 0.000 0.768 638 P CB 0.261 31.763 31.700 -0.331 0.000 0.838 639 F N 2.359 122.172 119.950 -0.228 0.000 2.404 639 F HA 0.401 4.927 4.527 -0.000 0.000 0.354 639 F C 0.798 176.485 175.800 -0.190 0.000 1.122 639 F CA -0.285 57.599 58.000 -0.193 0.000 1.080 639 F CB 1.076 39.947 39.000 -0.215 0.000 1.131 639 F HN 0.214 nan 8.300 nan 0.000 0.471 640 Q N 4.849 124.634 119.800 -0.025 0.000 2.345 640 Q HA 0.775 5.115 4.340 -0.000 0.000 0.268 640 Q C -1.026 174.969 176.000 -0.007 0.000 1.054 640 Q CA -0.933 54.857 55.803 -0.021 0.000 0.835 640 Q CB 2.562 31.344 28.738 0.073 0.000 1.339 640 Q HN 0.813 nan 8.270 nan 0.000 0.447 641 M N 1.492 121.077 119.600 -0.025 0.000 2.550 641 M HA 0.476 4.956 4.480 -0.000 0.000 0.292 641 M C -1.808 174.525 176.300 0.055 0.000 1.221 641 M CA -1.178 54.156 55.300 0.056 0.000 0.873 641 M CB 1.660 34.350 32.600 0.150 0.000 1.727 641 M HN 0.515 nan 8.290 nan 0.000 0.459 642 L N 3.480 124.725 121.223 0.037 0.000 2.282 642 L HA 0.552 4.891 4.340 -0.000 0.000 0.287 642 L C -1.670 175.285 176.870 0.142 0.000 1.075 642 L CA -0.392 54.455 54.840 0.011 0.000 0.839 642 L CB 0.709 42.679 42.059 -0.149 0.000 1.219 642 L HN 0.790 nan 8.230 nan 0.000 0.434 643 L N 5.231 126.607 121.223 0.255 0.000 2.282 643 L HA 0.506 4.845 4.340 -0.000 0.000 0.288 643 L C -0.024 177.038 176.870 0.319 0.000 1.033 643 L CA -0.187 54.832 54.840 0.298 0.000 0.807 643 L CB 1.018 43.318 42.059 0.402 0.000 1.209 643 L HN 0.676 nan 8.230 nan 0.000 0.423 644 R N 3.603 124.233 120.500 0.217 0.000 2.220 644 R HA 0.295 4.635 4.340 -0.000 0.000 0.340 644 R C 1.140 177.407 176.300 -0.055 0.000 1.076 644 R CA 0.549 56.663 56.100 0.023 0.000 0.920 644 R CB 0.813 31.086 30.300 -0.044 0.000 1.062 644 R HN 1.005 nan 8.270 nan 0.000 0.469 645 G N 3.461 112.216 108.800 -0.075 0.000 2.649 645 G HA2 -0.447 3.513 3.960 -0.000 0.000 0.220 645 G HA3 -0.447 3.513 3.960 -0.000 0.000 0.220 645 G C 1.284 176.151 174.900 -0.056 0.000 1.189 645 G CA 1.127 46.196 45.100 -0.053 0.000 0.777 645 G HN 0.753 nan 8.290 nan 0.000 0.602 646 A N 1.483 124.254 122.820 -0.081 0.000 1.881 646 A HA -0.153 4.166 4.320 -0.000 0.000 0.219 646 A C 1.534 179.093 177.584 -0.043 0.000 1.215 646 A CA 2.306 54.312 52.037 -0.051 0.000 0.648 646 A CB -0.414 18.538 19.000 -0.080 0.000 0.832 646 A HN 0.808 nan 8.150 nan 0.000 0.455 647 N N -2.802 115.869 118.700 -0.049 0.000 2.697 647 N HA 0.443 5.183 4.740 -0.000 0.000 0.253 647 N C 0.386 175.890 175.510 -0.009 0.000 1.604 647 N CA 0.728 53.788 53.050 0.017 0.000 0.772 647 N CB -0.113 38.333 38.487 -0.068 0.000 1.267 647 N HN 0.838 nan 8.380 nan 0.000 0.510 648 A N 0.939 123.691 122.820 -0.113 0.000 5.031 648 A HA -0.334 3.985 4.320 -0.000 0.000 0.368 648 A C 0.662 178.078 177.584 -0.280 0.000 1.508 648 A CA 2.822 54.674 52.037 -0.309 0.000 0.731 648 A CB -1.411 17.072 19.000 -0.862 0.000 1.511 648 A HN 0.781 nan 8.150 nan 0.000 0.424 649 V N 0.013 119.633 119.914 -0.489 0.000 2.838 649 V HA 0.579 4.699 4.120 -0.000 0.000 0.363 649 V C 0.751 176.902 176.094 0.094 0.000 1.324 649 V CA 0.192 62.351 62.300 -0.236 0.000 1.220 649 V CB -0.395 31.140 31.823 -0.480 0.000 1.328 649 V HN 1.274 nan 8.190 nan 0.000 0.595 650 G N -0.211 108.678 108.800 0.148 0.000 2.938 650 G HA2 0.487 4.447 3.960 -0.000 0.000 0.258 650 G HA3 0.487 4.447 3.960 -0.000 0.000 0.258 650 G C 0.011 175.097 174.900 0.311 0.000 1.356 650 G CA -0.194 45.084 45.100 0.296 0.000 1.052 650 G HN 0.371 nan 8.290 nan 0.000 0.550 651 Y N -2.155 118.201 120.300 0.093 0.000 2.430 651 Y HA 0.418 4.968 4.550 -0.000 0.000 0.254 651 Y C 0.936 176.762 175.900 -0.124 0.000 1.088 651 Y CA 0.203 58.322 58.100 0.032 0.000 1.267 651 Y CB 0.052 38.569 38.460 0.095 0.000 1.204 651 Y HN 0.508 nan 8.280 nan 0.000 0.515 652 T N -1.550 112.440 114.554 -0.939 0.000 2.888 652 T HA 0.366 4.715 4.350 -0.000 0.000 0.288 652 T C -0.742 173.282 174.700 -1.126 0.000 1.063 652 T CA -1.141 60.458 62.100 -0.835 0.000 1.010 652 T CB 1.349 69.753 68.868 -0.773 0.000 1.214 652 T HN 0.053 nan 8.240 nan 0.000 0.533 653 N N 1.111 119.436 118.700 -0.626 0.000 2.447 653 N HA 0.207 4.947 4.740 -0.000 0.000 0.263 653 N C -1.244 173.936 175.510 -0.550 0.000 1.226 653 N CA 0.345 53.122 53.050 -0.455 0.000 0.906 653 N CB -0.061 38.305 38.487 -0.202 0.000 1.060 653 N HN 0.572 nan 8.380 nan 0.000 0.468 654 Y N 1.319 121.557 120.300 -0.104 0.000 2.485 654 Y HA 0.355 4.905 4.550 -0.000 0.000 0.345 654 Y C -1.801 174.078 175.900 -0.036 0.000 0.998 654 Y CA -2.373 55.674 58.100 -0.089 0.000 1.059 654 Y CB 1.689 40.080 38.460 -0.115 0.000 1.234 654 Y HN 0.402 nan 8.280 nan 0.000 0.461 655 P HA -0.089 nan 4.420 nan 0.000 0.264 655 P C -0.144 177.233 177.300 0.128 0.000 1.183 655 P CA 0.292 63.449 63.100 0.094 0.000 0.763 655 P CB 1.050 32.794 31.700 0.073 0.000 0.807 656 D N 2.453 122.932 120.400 0.131 0.000 2.322 656 D HA -0.187 4.453 4.640 -0.000 0.000 0.210 656 D C 1.546 178.021 176.300 0.292 0.000 0.983 656 D CA 1.046 55.177 54.000 0.218 0.000 0.902 656 D CB -0.342 40.594 40.800 0.227 0.000 0.905 656 D HN 0.551 nan 8.370 nan 0.000 0.483 657 N N 1.403 120.201 118.700 0.163 0.000 2.309 657 N HA -0.138 4.602 4.740 -0.000 0.000 0.182 657 N C 2.005 177.631 175.510 0.194 0.000 1.018 657 N CA 1.514 54.647 53.050 0.138 0.000 0.876 657 N CB -0.621 37.901 38.487 0.057 0.000 0.972 657 N HN 0.341 nan 8.380 nan 0.000 0.434 658 V N -1.371 118.644 119.914 0.169 0.000 2.535 658 V HA -0.001 4.119 4.120 -0.000 0.000 0.246 658 V C 2.390 178.592 176.094 0.180 0.000 1.045 658 V CA 0.699 63.081 62.300 0.138 0.000 1.058 658 V CB -0.823 31.028 31.823 0.046 0.000 0.689 658 V HN 0.052 nan 8.190 nan 0.000 0.461 659 V N 0.072 120.092 119.914 0.177 0.000 2.469 659 V HA -0.195 3.925 4.120 -0.000 0.000 0.251 659 V C 2.419 178.527 176.094 0.022 0.000 1.064 659 V CA 2.519 64.868 62.300 0.082 0.000 1.066 659 V CB -1.026 30.796 31.823 -0.002 0.000 0.667 659 V HN 0.532 nan 8.190 nan 0.000 0.461 660 F N 0.081 120.083 119.950 0.087 0.000 2.270 660 F HA 0.047 4.574 4.527 -0.000 0.000 0.295 660 F C 2.282 178.126 175.800 0.073 0.000 1.087 660 F CA 1.247 59.282 58.000 0.059 0.000 1.365 660 F CB -0.308 38.709 39.000 0.028 0.000 1.056 660 F HN 0.020 nan 8.300 nan 0.000 0.506 661 K N 0.169 120.732 120.400 0.272 0.000 2.217 661 K HA -0.121 4.199 4.320 -0.000 0.000 0.202 661 K C 1.871 178.589 176.600 0.198 0.000 1.051 661 K CA 0.954 57.351 56.287 0.183 0.000 0.952 661 K CB -0.737 31.848 32.500 0.142 0.000 0.736 661 K HN 0.184 nan 8.250 nan 0.000 0.453 662 F N 0.216 120.231 119.950 0.108 0.000 2.084 662 F HA -0.190 4.337 4.527 -0.000 0.000 0.296 662 F C 1.811 177.747 175.800 0.227 0.000 1.111 662 F CA 1.593 59.698 58.000 0.174 0.000 1.224 662 F CB -0.577 38.481 39.000 0.097 0.000 0.991 662 F HN 0.052 nan 8.300 nan 0.000 0.471 663 C N 0.448 119.838 119.300 0.150 0.000 2.432 663 C HA -0.118 4.342 4.460 -0.000 0.000 0.280 663 C C 2.678 177.658 174.990 -0.017 0.000 1.353 663 C CA 0.955 59.970 59.018 -0.004 0.000 1.766 663 C CB -1.331 26.257 27.740 -0.253 0.000 1.924 663 C HN 0.601 nan 8.230 nan 0.000 0.509 664 E N 1.208 121.420 120.200 0.019 0.000 2.051 664 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 664 E C 2.078 178.689 176.600 0.019 0.000 0.991 664 E CA 1.591 58.007 56.400 0.026 0.000 0.799 664 E CB 0.076 29.808 29.700 0.052 0.000 0.748 664 E HN 0.481 nan 8.360 nan 0.000 0.449 665 V N 1.389 121.310 119.914 0.012 0.000 2.270 665 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 665 V C 2.554 178.699 176.094 0.085 0.000 1.043 665 V CA 1.765 64.058 62.300 -0.011 0.000 1.014 665 V CB -1.028 30.717 31.823 -0.130 0.000 0.645 665 V HN 0.406 nan 8.190 nan 0.000 0.447 666 A N 0.606 123.496 122.820 0.118 0.000 1.903 666 A HA -0.357 3.963 4.320 -0.000 0.000 0.219 666 A C 2.236 179.847 177.584 0.046 0.000 1.191 666 A CA 2.773 54.834 52.037 0.041 0.000 0.638 666 A CB -0.617 18.334 19.000 -0.081 0.000 0.823 666 A HN 0.533 nan 8.150 nan 0.000 0.451 667 K N 0.293 120.793 120.400 0.166 0.000 2.057 667 K HA -0.162 4.157 4.320 -0.000 0.000 0.207 667 K C 1.782 178.395 176.600 0.021 0.000 1.049 667 K CA 2.166 58.548 56.287 0.159 0.000 0.931 667 K CB -0.376 32.209 32.500 0.142 0.000 0.714 667 K HN 0.652 nan 8.250 nan 0.000 0.440 668 E N -0.096 120.107 120.200 0.005 0.000 2.107 668 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 668 E C 1.588 178.155 176.600 -0.054 0.000 0.982 668 E CA 0.739 57.121 56.400 -0.030 0.000 0.809 668 E CB -0.146 29.538 29.700 -0.027 0.000 0.756 668 E HN 0.356 nan 8.360 nan 0.000 0.459 669 N N -0.153 118.523 118.700 -0.039 0.000 2.573 669 N HA -0.079 4.661 4.740 -0.000 0.000 0.187 669 N C 1.066 176.484 175.510 -0.154 0.000 1.107 669 N CA 1.192 54.210 53.050 -0.052 0.000 0.918 669 N CB 0.901 39.419 38.487 0.053 0.000 0.966 669 N HN 0.346 nan 8.380 nan 0.000 0.448 670 G N -0.084 108.602 108.800 -0.191 0.000 2.227 670 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.168 670 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.168 670 G C -0.105 174.592 174.900 -0.337 0.000 1.006 670 G CA -0.240 44.672 45.100 -0.314 0.000 0.684 670 G HN 0.173 nan 8.290 nan 0.000 0.489 671 M N 1.995 121.448 119.600 -0.245 0.000 2.235 671 M HA 0.581 5.060 4.480 -0.000 0.000 0.351 671 M C 0.651 176.847 176.300 -0.174 0.000 1.178 671 M CA -0.248 54.894 55.300 -0.263 0.000 1.143 671 M CB 0.761 33.114 32.600 -0.411 0.000 1.530 671 M HN 0.114 nan 8.290 nan 0.000 0.461 672 D N 2.343 122.619 120.400 -0.207 0.000 3.206 672 D HA 0.153 4.793 4.640 -0.000 0.000 0.267 672 D C -0.377 175.922 176.300 -0.001 0.000 1.506 672 D CA 0.468 54.415 54.000 -0.089 0.000 1.173 672 D CB -0.049 40.645 40.800 -0.177 0.000 1.141 672 D HN 0.394 nan 8.370 nan 0.000 0.350 673 V N 2.356 122.221 119.914 -0.082 0.000 2.488 673 V HA 0.176 4.295 4.120 -0.000 0.000 0.277 673 V C -0.652 175.422 176.094 -0.034 0.000 1.046 673 V CA -0.098 62.249 62.300 0.078 0.000 0.986 673 V CB 0.157 32.052 31.823 0.119 0.000 0.989 673 V HN -0.002 nan 8.190 nan 0.000 0.475 674 F N 4.315 124.356 119.950 0.152 0.000 2.402 674 F HA 0.514 5.040 4.527 -0.000 0.000 0.355 674 F C 0.519 176.411 175.800 0.154 0.000 1.123 674 F CA -0.680 57.412 58.000 0.154 0.000 1.021 674 F CB 1.233 40.316 39.000 0.138 0.000 1.160 674 F HN 0.354 nan 8.300 nan 0.000 0.451 675 R N 3.777 124.430 120.500 0.255 0.000 2.205 675 R HA 0.584 4.924 4.340 -0.000 0.000 0.342 675 R C -1.605 174.833 176.300 0.231 0.000 1.058 675 R CA -0.268 55.945 56.100 0.189 0.000 0.904 675 R CB 0.506 30.848 30.300 0.071 0.000 1.089 675 R HN 0.517 nan 8.270 nan 0.000 0.471 676 V N 7.063 127.117 119.914 0.234 0.000 2.394 676 V HA 0.466 4.585 4.120 -0.000 0.000 0.282 676 V C -0.212 176.051 176.094 0.282 0.000 1.031 676 V CA -0.467 61.980 62.300 0.245 0.000 0.881 676 V CB 0.756 32.669 31.823 0.149 0.000 0.982 676 V HN 0.703 nan 8.190 nan 0.000 0.451 677 F N 1.673 121.645 119.950 0.036 0.000 2.629 677 F HA 0.893 5.420 4.527 -0.000 0.000 0.316 677 F C -1.102 174.725 175.800 0.045 0.000 1.081 677 F CA -1.038 56.980 58.000 0.029 0.000 0.954 677 F CB 2.190 41.193 39.000 0.004 0.000 1.337 677 F HN 0.417 nan 8.300 nan 0.000 0.474 678 D N 0.472 120.740 120.400 -0.219 0.000 2.757 678 D HA 0.250 4.890 4.640 -0.000 0.000 0.249 678 D C 0.474 176.702 176.300 -0.121 0.000 1.168 678 D CA -0.142 53.685 54.000 -0.289 0.000 0.870 678 D CB 2.342 43.117 40.800 -0.041 0.000 1.411 678 D HN 0.706 nan 8.370 nan 0.000 0.525 679 S N 2.647 118.243 115.700 -0.173 0.000 2.419 679 S HA -0.184 4.286 4.470 -0.000 0.000 0.235 679 S C 1.238 175.861 174.600 0.038 0.000 1.019 679 S CA 0.965 59.174 58.200 0.015 0.000 0.982 679 S CB -0.169 63.035 63.200 0.006 0.000 0.789 679 S HN 0.504 nan 8.310 nan 0.000 0.490 680 L N 0.540 121.794 121.223 0.051 0.000 2.766 680 L HA 0.457 4.796 4.340 -0.000 0.000 0.242 680 L C 0.238 177.209 176.870 0.169 0.000 1.136 680 L CA -0.105 54.789 54.840 0.091 0.000 0.933 680 L CB -0.704 41.410 42.059 0.091 0.000 1.241 680 L HN 0.060 nan 8.230 nan 0.000 0.522 681 N N 0.121 118.915 118.700 0.156 0.000 2.758 681 N HA -0.308 4.431 4.740 -0.000 0.000 0.248 681 N C -0.317 175.329 175.510 0.228 0.000 1.076 681 N CA 0.606 53.763 53.050 0.179 0.000 0.696 681 N CB -1.583 37.034 38.487 0.216 0.000 0.979 681 N HN 0.530 nan 8.380 nan 0.000 0.550 682 Y N 0.959 121.301 120.300 0.070 0.000 2.616 682 Y HA 0.246 4.795 4.550 -0.001 0.000 0.350 682 Y C 1.611 177.537 175.900 0.044 0.000 1.119 682 Y CA -0.477 57.665 58.100 0.071 0.000 1.467 682 Y CB -0.148 38.346 38.460 0.057 0.000 1.287 682 Y HN 0.227 nan 8.280 nan 0.000 0.504 683 L N 6.564 127.702 121.223 -0.141 0.000 2.082 683 L HA -0.300 4.040 4.340 -0.000 0.000 0.223 683 L C -0.624 176.082 176.870 -0.273 0.000 1.086 683 L CA 1.864 56.596 54.840 -0.179 0.000 0.793 683 L CB -1.473 40.502 42.059 -0.140 0.000 0.896 683 L HN 0.532 nan 8.230 nan 0.000 0.441 684 P HA -0.175 nan 4.420 nan 0.000 0.216 684 P C 1.046 178.253 177.300 -0.154 0.000 1.157 684 P CA 1.566 64.426 63.100 -0.399 0.000 0.880 684 P CB -0.082 31.215 31.700 -0.673 0.000 0.791 685 N N -1.449 117.216 118.700 -0.059 0.000 2.171 685 N HA -0.032 4.708 4.740 -0.000 0.000 0.184 685 N C 1.701 177.206 175.510 -0.007 0.000 1.021 685 N CA 1.206 54.291 53.050 0.058 0.000 0.854 685 N CB -0.602 37.981 38.487 0.160 0.000 0.994 685 N HN 0.212 nan 8.380 nan 0.000 0.426 686 M N 0.478 120.064 119.600 -0.022 0.000 2.213 686 M HA -0.070 4.410 4.480 -0.000 0.000 0.263 686 M C 1.862 178.147 176.300 -0.024 0.000 1.062 686 M CA 1.127 56.416 55.300 -0.019 0.000 1.105 686 M CB -0.190 32.406 32.600 -0.007 0.000 1.385 686 M HN 0.073 nan 8.290 nan 0.000 0.417 687 L N -0.578 120.622 121.223 -0.038 0.000 2.131 687 L HA -0.142 4.198 4.340 -0.000 0.000 0.206 687 L C 2.467 179.326 176.870 -0.018 0.000 1.087 687 L CA 0.393 55.216 54.840 -0.028 0.000 0.767 687 L CB -0.706 41.333 42.059 -0.033 0.000 0.917 687 L HN 0.279 nan 8.230 nan 0.000 0.441 688 L N 0.682 121.898 121.223 -0.011 0.000 2.012 688 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 688 L C 2.343 179.142 176.870 -0.118 0.000 1.073 688 L CA 2.277 57.115 54.840 -0.003 0.000 0.748 688 L CB -1.088 40.988 42.059 0.028 0.000 0.891 688 L HN 0.130 nan 8.230 nan 0.000 0.431 689 G N -0.646 108.101 108.800 -0.089 0.000 2.459 689 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.217 689 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.217 689 G C 1.559 176.382 174.900 -0.128 0.000 1.183 689 G CA 1.180 46.216 45.100 -0.105 0.000 0.776 689 G HN 0.450 nan 8.290 nan 0.000 0.552 690 M N 0.403 119.963 119.600 -0.067 0.000 2.106 690 M HA -0.093 4.387 4.480 -0.000 0.000 0.259 690 M C 2.540 178.784 176.300 -0.093 0.000 1.068 690 M CA 1.439 56.708 55.300 -0.052 0.000 1.100 690 M CB -0.360 32.225 32.600 -0.025 0.000 1.351 690 M HN 0.234 nan 8.290 nan 0.000 0.404 691 E N 0.638 120.779 120.200 -0.098 0.000 2.000 691 E HA -0.218 4.131 4.350 -0.000 0.000 0.199 691 E C 2.207 178.675 176.600 -0.219 0.000 1.011 691 E CA 1.733 58.105 56.400 -0.046 0.000 0.836 691 E CB -0.686 29.094 29.700 0.132 0.000 0.778 691 E HN 0.536 nan 8.360 nan 0.000 0.462 692 A N 1.787 124.137 122.820 -0.783 0.000 1.940 692 A HA -0.260 4.060 4.320 -0.000 0.000 0.221 692 A C 2.454 179.766 177.584 -0.454 0.000 1.190 692 A CA 2.953 54.420 52.037 -0.951 0.000 0.647 692 A CB -0.828 17.552 19.000 -1.033 0.000 0.821 692 A HN 0.341 nan 8.150 nan 0.000 0.457 693 A N -0.982 121.576 122.820 -0.437 0.000 1.873 693 A HA 0.192 4.512 4.320 -0.000 0.000 0.215 693 A C 2.454 179.858 177.584 -0.300 0.000 1.186 693 A CA 1.923 53.614 52.037 -0.576 0.000 0.616 693 A CB -1.367 17.401 19.000 -0.387 0.000 0.823 693 A HN 0.776 nan 8.150 nan 0.000 0.442 694 G N -0.033 108.694 108.800 -0.120 0.000 2.404 694 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.215 694 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.215 694 G C 2.037 176.948 174.900 0.018 0.000 1.174 694 G CA 1.883 46.988 45.100 0.008 0.000 0.780 694 G HN 0.839 nan 8.290 nan 0.000 0.537 695 S N 1.653 117.368 115.700 0.024 0.000 2.359 695 S HA -0.001 4.469 4.470 -0.000 0.000 0.224 695 S C 2.615 177.237 174.600 0.038 0.000 1.035 695 S CA 1.752 60.001 58.200 0.081 0.000 1.018 695 S CB -0.791 62.544 63.200 0.224 0.000 0.876 695 S HN 0.749 nan 8.310 nan 0.000 0.448 696 A N 1.301 124.103 122.820 -0.030 0.000 2.139 696 A HA 0.289 4.609 4.320 -0.000 0.000 0.221 696 A C 1.963 179.533 177.584 -0.022 0.000 1.159 696 A CA 1.482 53.488 52.037 -0.051 0.000 0.662 696 A CB -1.625 17.269 19.000 -0.178 0.000 0.796 696 A HN 1.877 nan 8.150 nan 0.000 0.463 697 G N -2.910 105.886 108.800 -0.007 0.000 2.132 697 G HA2 0.074 4.034 3.960 -0.000 0.000 0.228 697 G HA3 0.074 4.034 3.960 -0.000 0.000 0.228 697 G C 0.579 175.501 174.900 0.038 0.000 1.000 697 G CA 0.367 45.482 45.100 0.025 0.000 0.693 697 G HN 1.448 nan 8.290 nan 0.000 0.515 698 G N -1.464 107.362 108.800 0.044 0.000 2.552 698 G HA2 0.680 4.640 3.960 -0.000 0.000 0.318 698 G HA3 0.680 4.640 3.960 -0.000 0.000 0.318 698 G C 0.012 175.022 174.900 0.183 0.000 1.240 698 G CA -0.218 44.980 45.100 0.165 0.000 1.002 698 G HN 0.858 nan 8.290 nan 0.000 0.493 699 V N 0.421 120.477 119.914 0.237 0.000 2.470 699 V HA 0.191 4.310 4.120 -0.000 0.000 0.276 699 V C 0.222 176.587 176.094 0.451 0.000 1.040 699 V CA -0.321 62.126 62.300 0.245 0.000 1.008 699 V CB 1.056 33.011 31.823 0.220 0.000 0.990 699 V HN 0.391 nan 8.190 nan 0.000 0.477 700 V N 5.151 125.431 119.914 0.610 0.000 2.432 700 V HA 0.346 4.466 4.120 -0.000 0.000 0.275 700 V C 0.316 176.586 176.094 0.293 0.000 1.043 700 V CA -0.357 62.152 62.300 0.349 0.000 0.925 700 V CB 1.333 33.252 31.823 0.162 0.000 0.985 700 V HN 0.956 nan 8.190 nan 0.000 0.466 701 E N 3.765 124.120 120.200 0.258 0.000 2.593 701 E HA 0.553 4.902 4.350 -0.000 0.000 0.232 701 E C -0.165 176.524 176.600 0.149 0.000 1.026 701 E CA -0.594 55.933 56.400 0.211 0.000 0.772 701 E CB 1.141 31.002 29.700 0.269 0.000 1.310 701 E HN 0.867 nan 8.360 nan 0.000 0.413 702 A N 2.677 125.552 122.820 0.092 0.000 2.488 702 A HA 0.511 4.831 4.320 -0.000 0.000 0.249 702 A C 0.031 177.651 177.584 0.060 0.000 1.083 702 A CA 0.266 52.343 52.037 0.066 0.000 0.768 702 A CB 0.519 19.530 19.000 0.018 0.000 1.017 702 A HN 0.564 nan 8.150 nan 0.000 0.496 703 A N 3.409 126.282 122.820 0.089 0.000 2.303 703 A HA 0.648 4.968 4.320 -0.000 0.000 0.320 703 A C -0.258 177.388 177.584 0.104 0.000 1.192 703 A CA -0.489 51.595 52.037 0.078 0.000 0.821 703 A CB 0.391 19.441 19.000 0.082 0.000 1.188 703 A HN 0.745 nan 8.150 nan 0.000 0.492 704 I N 2.391 123.006 120.570 0.074 0.000 2.331 704 I HA 0.195 4.364 4.170 -0.000 0.000 0.292 704 I C 0.175 176.377 176.117 0.141 0.000 0.998 704 I CA -0.227 61.143 61.300 0.116 0.000 1.267 704 I CB 1.726 39.792 38.000 0.110 0.000 1.386 704 I HN 0.564 nan 8.210 nan 0.000 0.476 705 S N 5.925 121.738 115.700 0.189 0.000 2.499 705 S HA 0.237 4.707 4.470 -0.000 0.000 0.275 705 S C -0.607 174.131 174.600 0.229 0.000 1.257 705 S CA -0.374 57.933 58.200 0.178 0.000 1.050 705 S CB 0.414 63.719 63.200 0.175 0.000 0.937 705 S HN 0.410 nan 8.310 nan 0.000 0.490 706 Y N 2.769 123.091 120.300 0.038 0.000 2.323 706 Y HA 0.507 5.057 4.550 -0.000 0.000 0.331 706 Y C 0.168 176.087 175.900 0.032 0.000 1.092 706 Y CA -0.037 58.085 58.100 0.035 0.000 1.150 706 Y CB 0.920 39.313 38.460 -0.112 0.000 1.200 706 Y HN 0.613 nan 8.280 nan 0.000 0.472 707 T N 4.060 118.300 114.554 -0.523 0.000 2.901 707 T HA 0.637 4.986 4.350 -0.000 0.000 0.293 707 T C 0.118 174.518 174.700 -0.500 0.000 1.084 707 T CA -0.064 61.762 62.100 -0.456 0.000 1.008 707 T CB 1.301 69.903 68.868 -0.444 0.000 1.170 707 T HN 1.209 nan 8.240 nan 0.000 0.509 708 G N 1.654 110.333 108.800 -0.202 0.000 2.574 708 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.286 708 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.286 708 G C -0.657 174.202 174.900 -0.069 0.000 1.212 708 G CA 0.729 45.784 45.100 -0.075 0.000 0.979 708 G HN 0.993 nan 8.290 nan 0.000 0.557 709 D N -0.946 119.472 120.400 0.030 0.000 2.351 709 D HA 0.431 5.070 4.640 -0.000 0.000 0.235 709 D C 1.357 177.763 176.300 0.177 0.000 1.331 709 D CA 0.568 54.659 54.000 0.152 0.000 0.959 709 D CB 0.744 41.598 40.800 0.089 0.000 1.432 709 D HN 1.137 nan 8.370 nan 0.000 0.544 710 V N 1.782 121.872 119.914 0.293 0.000 2.660 710 V HA -0.168 3.951 4.120 -0.000 0.000 0.257 710 V C 2.106 178.300 176.094 0.167 0.000 1.088 710 V CA 1.989 64.452 62.300 0.272 0.000 1.106 710 V CB -1.147 30.893 31.823 0.363 0.000 0.686 710 V HN 0.480 nan 8.190 nan 0.000 0.481 711 A N 0.563 123.464 122.820 0.135 0.000 1.969 711 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 711 A C 1.577 179.195 177.584 0.058 0.000 1.169 711 A CA 1.272 53.357 52.037 0.079 0.000 0.635 711 A CB -0.544 18.489 19.000 0.054 0.000 0.810 711 A HN 0.682 nan 8.150 nan 0.000 0.445 712 D N -0.028 120.407 120.400 0.057 0.000 2.352 712 D HA 0.187 4.826 4.640 -0.000 0.000 0.245 712 D C -1.933 174.392 176.300 0.041 0.000 1.224 712 D CA -1.508 52.513 54.000 0.035 0.000 0.879 712 D CB 1.019 41.833 40.800 0.023 0.000 1.057 712 D HN 0.044 nan 8.370 nan 0.000 0.491 713 P HA -0.089 nan 4.420 nan 0.000 0.222 713 P C 1.352 178.663 177.300 0.018 0.000 1.147 713 P CA 0.530 63.648 63.100 0.030 0.000 0.790 713 P CB 0.363 32.077 31.700 0.024 0.000 0.780 714 S N -0.205 115.503 115.700 0.012 0.000 2.414 714 S HA -0.162 4.308 4.470 -0.000 0.000 0.225 714 S C 1.027 175.625 174.600 -0.002 0.000 1.041 714 S CA 1.189 59.391 58.200 0.003 0.000 1.114 714 S CB -0.800 62.401 63.200 0.002 0.000 1.064 714 S HN 0.192 nan 8.310 nan 0.000 0.420 715 R N 1.720 122.220 120.500 0.000 0.000 2.401 715 R HA 0.147 4.486 4.340 -0.000 0.000 0.299 715 R C 0.915 177.203 176.300 -0.019 0.000 1.064 715 R CA 0.613 56.704 56.100 -0.015 0.000 1.000 715 R CB 0.368 30.666 30.300 -0.003 0.000 0.973 715 R HN 0.546 nan 8.270 nan 0.000 0.438 716 T N -1.443 113.078 114.554 -0.056 0.000 3.003 716 T HA 0.076 4.426 4.350 -0.000 0.000 0.261 716 T C 1.420 176.034 174.700 -0.144 0.000 1.003 716 T CA -0.475 61.589 62.100 -0.060 0.000 0.917 716 T CB 0.279 69.125 68.868 -0.037 0.000 1.084 716 T HN 0.404 nan 8.240 nan 0.000 0.522 717 K N 1.352 121.596 120.400 -0.261 0.000 1.969 717 K HA -0.076 4.244 4.320 -0.000 0.000 0.216 717 K C 0.014 176.164 176.600 -0.749 0.000 1.048 717 K CA 1.488 57.466 56.287 -0.515 0.000 0.948 717 K CB -0.255 31.780 32.500 -0.776 0.000 0.726 717 K HN 0.510 nan 8.250 nan 0.000 0.442 718 Y N 1.923 121.941 120.300 -0.471 0.000 2.880 718 Y HA 0.152 4.701 4.550 -0.000 0.000 0.386 718 Y C 0.295 176.033 175.900 -0.270 0.000 1.172 718 Y CA -1.117 56.548 58.100 -0.724 0.000 1.770 718 Y CB -0.013 38.067 38.460 -0.634 0.000 1.809 718 Y HN 0.106 nan 8.280 nan 0.000 0.472 719 S N -0.499 115.180 115.700 -0.035 0.000 2.606 719 S HA -0.006 4.463 4.470 -0.000 0.000 0.257 719 S C 1.247 175.994 174.600 0.246 0.000 1.327 719 S CA -0.708 57.560 58.200 0.113 0.000 0.984 719 S CB 0.793 64.038 63.200 0.075 0.000 0.941 719 S HN 0.527 nan 8.310 nan 0.000 0.576 720 L N 0.940 122.331 121.223 0.280 0.000 2.012 720 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 720 L C 2.535 179.571 176.870 0.278 0.000 1.073 720 L CA 1.905 56.954 54.840 0.349 0.000 0.748 720 L CB -1.430 40.764 42.059 0.224 0.000 0.891 720 L HN 0.830 nan 8.230 nan 0.000 0.431 721 Q N -2.052 117.857 119.800 0.181 0.000 2.508 721 Q HA -0.222 4.118 4.340 -0.000 0.000 0.214 721 Q C 1.799 177.879 176.000 0.133 0.000 0.979 721 Q CA 1.335 57.221 55.803 0.138 0.000 0.911 721 Q CB -0.328 28.473 28.738 0.104 0.000 0.969 721 Q HN 0.716 nan 8.270 nan 0.000 0.504 722 Y N -0.416 119.876 120.300 -0.013 0.000 2.176 722 Y HA -0.228 4.321 4.550 -0.000 0.000 0.291 722 Y C 1.377 177.220 175.900 -0.095 0.000 1.122 722 Y CA 1.345 59.369 58.100 -0.126 0.000 1.128 722 Y CB -0.449 37.795 38.460 -0.361 0.000 1.005 722 Y HN 0.027 nan 8.280 nan 0.000 0.509 723 Y N -0.639 119.577 120.300 -0.140 0.000 2.133 723 Y HA -0.278 4.271 4.550 -0.000 0.000 0.287 723 Y C 2.638 178.480 175.900 -0.097 0.000 1.134 723 Y CA 1.300 59.274 58.100 -0.209 0.000 1.133 723 Y CB -0.561 37.922 38.460 0.039 0.000 0.987 723 Y HN 0.087 nan 8.280 nan 0.000 0.502 724 M N 0.021 119.733 119.600 0.186 0.000 2.108 724 M HA -0.224 4.256 4.480 -0.000 0.000 0.257 724 M C 2.387 178.761 176.300 0.124 0.000 1.071 724 M CA 1.858 57.258 55.300 0.166 0.000 1.093 724 M CB -1.883 30.803 32.600 0.143 0.000 1.345 724 M HN 0.461 nan 8.290 nan 0.000 0.403 725 G N -0.396 108.435 108.800 0.051 0.000 2.404 725 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.215 725 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.215 725 G C 1.537 176.440 174.900 0.005 0.000 1.174 725 G CA 0.615 45.736 45.100 0.036 0.000 0.780 725 G HN 0.403 nan 8.290 nan 0.000 0.537 726 L N 1.472 122.636 121.223 -0.098 0.000 2.079 726 L HA 0.044 4.384 4.340 -0.000 0.000 0.210 726 L C 3.055 179.904 176.870 -0.036 0.000 1.081 726 L CA 2.009 56.781 54.840 -0.113 0.000 0.752 726 L CB -0.645 41.255 42.059 -0.264 0.000 0.896 726 L HN 0.256 nan 8.230 nan 0.000 0.433 727 A N -0.818 122.006 122.820 0.006 0.000 1.865 727 A HA -0.203 4.116 4.320 -0.000 0.000 0.217 727 A C 2.100 179.686 177.584 0.002 0.000 1.191 727 A CA 1.705 53.727 52.037 -0.025 0.000 0.623 727 A CB -0.631 18.394 19.000 0.040 0.000 0.826 727 A HN 0.521 nan 8.150 nan 0.000 0.444 728 E N 0.354 120.661 120.200 0.179 0.000 2.065 728 E HA -0.240 4.110 4.350 -0.000 0.000 0.201 728 E C 1.937 178.585 176.600 0.080 0.000 1.016 728 E CA 1.599 58.124 56.400 0.210 0.000 0.818 728 E CB -0.511 29.290 29.700 0.169 0.000 0.749 728 E HN 0.709 nan 8.360 nan 0.000 0.453 729 E N 1.050 121.273 120.200 0.037 0.000 2.021 729 E HA -0.170 4.179 4.350 -0.000 0.000 0.200 729 E C 2.595 179.186 176.600 -0.015 0.000 1.015 729 E CA 0.834 57.239 56.400 0.008 0.000 0.824 729 E CB -0.862 28.834 29.700 -0.006 0.000 0.762 729 E HN 0.297 nan 8.360 nan 0.000 0.454 730 L N 0.921 122.122 121.223 -0.036 0.000 2.081 730 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 730 L C 2.637 179.459 176.870 -0.079 0.000 1.080 730 L CA 0.915 55.722 54.840 -0.056 0.000 0.754 730 L CB -0.585 41.436 42.059 -0.063 0.000 0.893 730 L HN -0.020 nan 8.230 nan 0.000 0.433 731 V N -0.517 119.333 119.914 -0.105 0.000 2.453 731 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 731 V C 2.617 178.687 176.094 -0.039 0.000 1.048 731 V CA 1.618 63.846 62.300 -0.121 0.000 1.049 731 V CB -0.534 31.168 31.823 -0.203 0.000 0.672 731 V HN 0.388 nan 8.190 nan 0.000 0.457 732 R N 0.829 121.328 120.500 -0.001 0.000 2.066 732 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 732 R C 2.249 178.543 176.300 -0.010 0.000 1.131 732 R CA 1.578 57.685 56.100 0.013 0.000 0.955 732 R CB -0.652 29.664 30.300 0.027 0.000 0.851 732 R HN 0.426 nan 8.270 nan 0.000 0.432 733 A N -0.036 122.772 122.820 -0.019 0.000 2.139 733 A HA 0.072 4.392 4.320 -0.000 0.000 0.221 733 A C 0.894 178.454 177.584 -0.040 0.000 1.159 733 A CA 1.198 53.220 52.037 -0.025 0.000 0.662 733 A CB -0.890 18.094 19.000 -0.028 0.000 0.796 733 A HN 0.663 nan 8.150 nan 0.000 0.463 734 G N -2.085 106.679 108.800 -0.059 0.000 3.391 734 G HA2 0.213 4.173 3.960 -0.000 0.000 0.683 734 G HA3 0.213 4.173 3.960 -0.000 0.000 0.683 734 G C -0.325 174.484 174.900 -0.152 0.000 1.071 734 G CA 0.107 45.146 45.100 -0.100 0.000 0.904 734 G HN 1.279 nan 8.290 nan 0.000 0.452 735 T N 1.941 116.386 114.554 -0.181 0.000 2.971 735 T HA 0.611 4.961 4.350 -0.000 0.000 0.304 735 T C 1.256 175.845 174.700 -0.185 0.000 1.038 735 T CA -0.414 61.580 62.100 -0.178 0.000 1.007 735 T CB 0.873 69.691 68.868 -0.083 0.000 1.055 735 T HN 0.517 nan 8.240 nan 0.000 0.451 736 H N 3.656 122.756 119.070 0.051 0.000 2.363 736 H HA 0.191 4.747 4.556 -0.000 0.000 0.301 736 H C 0.719 176.066 175.328 0.031 0.000 1.074 736 H CA 0.930 57.014 56.048 0.060 0.000 1.354 736 H CB 0.359 30.194 29.762 0.121 0.000 1.397 736 H HN 0.397 nan 8.280 nan 0.000 0.516 737 I N 0.987 121.659 120.570 0.170 0.000 2.689 737 I HA 0.180 4.349 4.170 -0.000 0.000 0.299 737 I C -0.406 175.737 176.117 0.043 0.000 1.059 737 I CA -1.148 60.205 61.300 0.089 0.000 1.055 737 I CB 2.485 40.578 38.000 0.156 0.000 1.243 737 I HN -0.084 nan 8.210 nan 0.000 0.425 738 L N 5.446 126.658 121.223 -0.017 0.000 2.333 738 L HA 0.634 4.974 4.340 -0.000 0.000 0.280 738 L C -0.766 176.095 176.870 -0.016 0.000 1.004 738 L CA -0.152 54.663 54.840 -0.042 0.000 0.820 738 L CB 1.329 43.309 42.059 -0.130 0.000 1.247 738 L HN 0.830 nan 8.230 nan 0.000 0.416 739 C N 6.242 125.540 119.300 -0.002 0.000 2.493 739 C HA 0.705 5.165 4.460 -0.000 0.000 0.326 739 C C -0.640 174.318 174.990 -0.054 0.000 1.200 739 C CA -0.825 58.177 59.018 -0.027 0.000 1.739 739 C CB 1.067 28.778 27.740 -0.049 0.000 2.300 739 C HN 0.696 nan 8.230 nan 0.000 0.500 740 I N 4.938 125.454 120.570 -0.089 0.000 2.354 740 I HA 0.327 4.497 4.170 -0.000 0.000 0.286 740 I C 0.124 176.195 176.117 -0.076 0.000 1.007 740 I CA 0.012 61.257 61.300 -0.093 0.000 1.167 740 I CB 1.204 39.105 38.000 -0.166 0.000 1.320 740 I HN 0.732 nan 8.210 nan 0.000 0.458 741 K N 5.233 125.617 120.400 -0.027 0.000 2.184 741 K HA 0.098 4.418 4.320 -0.000 0.000 0.259 741 K C -0.136 176.489 176.600 0.041 0.000 1.119 741 K CA -0.329 55.953 56.287 -0.008 0.000 0.991 741 K CB 0.205 32.660 32.500 -0.075 0.000 1.522 741 K HN 0.370 nan 8.250 nan 0.000 0.405 742 D N 5.756 126.159 120.400 0.005 0.000 2.551 742 D HA -0.036 4.604 4.640 -0.000 0.000 0.223 742 D C 1.452 177.661 176.300 -0.152 0.000 1.144 742 D CA -0.346 53.649 54.000 -0.008 0.000 1.025 742 D CB 0.490 41.239 40.800 -0.086 0.000 1.085 742 D HN 0.563 nan 8.370 nan 0.000 0.506 743 M N 0.813 120.341 119.600 -0.120 0.000 2.549 743 M HA 0.005 4.485 4.480 -0.000 0.000 0.260 743 M C 0.790 176.930 176.300 -0.265 0.000 1.076 743 M CA 1.035 56.154 55.300 -0.302 0.000 1.090 743 M CB -0.577 31.961 32.600 -0.103 0.000 1.418 743 M HN 0.233 nan 8.290 nan 0.000 0.486 744 A N 0.138 122.899 122.820 -0.097 0.000 2.431 744 A HA 0.545 4.865 4.320 -0.000 0.000 0.239 744 A C 1.455 179.025 177.584 -0.023 0.000 1.230 744 A CA 0.422 52.460 52.037 0.002 0.000 0.928 744 A CB -0.447 18.586 19.000 0.055 0.000 1.006 744 A HN 0.863 nan 8.150 nan 0.000 0.520 745 G N -0.096 108.665 108.800 -0.065 0.000 2.298 745 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.287 745 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.287 745 G C 0.438 175.320 174.900 -0.030 0.000 1.075 745 G CA 0.517 45.579 45.100 -0.063 0.000 0.960 745 G HN 0.500 nan 8.290 nan 0.000 0.502 746 L N -0.952 120.343 121.223 0.120 0.000 2.616 746 L HA 0.327 4.666 4.340 -0.000 0.000 0.229 746 L C 1.643 178.784 176.870 0.451 0.000 1.110 746 L CA -0.235 54.793 54.840 0.314 0.000 0.884 746 L CB 0.136 42.395 42.059 0.332 0.000 1.115 746 L HN 0.269 nan 8.230 nan 0.000 0.481 747 L N 1.962 123.319 121.223 0.223 0.000 2.597 747 L HA 0.010 4.349 4.340 -0.000 0.000 0.271 747 L C 0.339 177.259 176.870 0.083 0.000 1.157 747 L CA 0.583 55.437 54.840 0.023 0.000 0.928 747 L CB -0.034 41.884 42.059 -0.236 0.000 1.216 747 L HN 0.134 nan 8.230 nan 0.000 0.481 748 K N 4.934 125.394 120.400 0.099 0.000 2.087 748 K HA 0.276 4.595 4.320 -0.000 0.000 0.255 748 K C -1.609 174.994 176.600 0.006 0.000 0.988 748 K CA -1.690 54.637 56.287 0.067 0.000 0.915 748 K CB 1.024 33.536 32.500 0.021 0.000 1.043 748 K HN 0.146 nan 8.250 nan 0.000 0.457 749 P HA -0.235 nan 4.420 nan 0.000 0.215 749 P C 1.287 178.576 177.300 -0.017 0.000 1.157 749 P CA 1.660 64.751 63.100 -0.015 0.000 0.868 749 P CB 0.014 31.710 31.700 -0.006 0.000 0.788 750 T N -2.132 112.417 114.554 -0.008 0.000 2.643 750 T HA -0.172 4.178 4.350 -0.000 0.000 0.264 750 T C 1.990 176.690 174.700 0.001 0.000 1.045 750 T CA 1.525 63.623 62.100 -0.004 0.000 1.155 750 T CB -1.489 67.378 68.868 -0.002 0.000 0.863 750 T HN 0.014 nan 8.240 nan 0.000 0.420 751 A N 0.764 123.591 122.820 0.012 0.000 1.948 751 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 751 A C 2.830 180.397 177.584 -0.029 0.000 1.177 751 A CA 1.740 53.796 52.037 0.031 0.000 0.636 751 A CB -1.641 17.415 19.000 0.094 0.000 0.815 751 A HN 0.744 nan 8.150 nan 0.000 0.449 752 C N -1.254 118.005 119.300 -0.067 0.000 2.440 752 C HA -0.124 4.335 4.460 -0.000 0.000 0.282 752 C C 3.008 177.959 174.990 -0.064 0.000 1.223 752 C CA 1.680 60.636 59.018 -0.104 0.000 1.744 752 C CB -1.586 26.097 27.740 -0.094 0.000 2.061 752 C HN 0.671 nan 8.230 nan 0.000 0.456 753 T N 1.130 115.661 114.554 -0.039 0.000 2.653 753 T HA -0.383 3.967 4.350 -0.000 0.000 0.267 753 T C 1.688 176.380 174.700 -0.013 0.000 1.037 753 T CA 2.306 64.392 62.100 -0.023 0.000 1.159 753 T CB -0.523 68.338 68.868 -0.012 0.000 0.859 753 T HN 0.611 nan 8.240 nan 0.000 0.449 754 M N 0.465 120.063 119.600 -0.004 0.000 2.126 754 M HA -0.091 4.389 4.480 -0.000 0.000 0.259 754 M C 2.316 178.625 176.300 0.015 0.000 1.073 754 M CA 1.782 57.091 55.300 0.015 0.000 1.103 754 M CB -0.503 32.117 32.600 0.034 0.000 1.284 754 M HN 0.264 nan 8.290 nan 0.000 0.420 755 L N -0.028 121.195 121.223 0.001 0.000 1.963 755 L HA -0.257 4.082 4.340 -0.000 0.000 0.220 755 L C 2.595 179.458 176.870 -0.012 0.000 1.076 755 L CA 2.234 57.067 54.840 -0.011 0.000 0.772 755 L CB -0.724 41.273 42.059 -0.103 0.000 0.892 755 L HN 0.468 nan 8.230 nan 0.000 0.435 756 V N -0.266 119.624 119.914 -0.040 0.000 2.231 756 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 756 V C 2.700 178.799 176.094 0.008 0.000 1.054 756 V CA 2.708 64.993 62.300 -0.025 0.000 1.015 756 V CB -0.559 31.237 31.823 -0.045 0.000 0.638 756 V HN 0.835 nan 8.190 nan 0.000 0.444 757 S N 1.771 117.474 115.700 0.005 0.000 2.359 757 S HA -0.284 4.186 4.470 -0.000 0.000 0.222 757 S C 2.148 176.764 174.600 0.026 0.000 1.038 757 S CA 2.492 60.700 58.200 0.013 0.000 1.051 757 S CB -1.627 61.577 63.200 0.008 0.000 0.944 757 S HN 1.133 nan 8.310 nan 0.000 0.433 758 S N 2.123 117.842 115.700 0.032 0.000 2.440 758 S HA 0.017 4.486 4.470 -0.000 0.000 0.240 758 S C 1.797 176.435 174.600 0.063 0.000 1.014 758 S CA 1.220 59.443 58.200 0.038 0.000 0.980 758 S CB -0.804 62.427 63.200 0.051 0.000 0.775 758 S HN 0.508 nan 8.310 nan 0.000 0.499 759 L N 0.373 121.653 121.223 0.095 0.000 2.127 759 L HA 0.157 4.497 4.340 -0.000 0.000 0.203 759 L C 2.950 179.948 176.870 0.214 0.000 1.080 759 L CA 0.977 55.933 54.840 0.193 0.000 0.768 759 L CB -0.277 41.864 42.059 0.136 0.000 0.924 759 L HN 0.264 nan 8.230 nan 0.000 0.444 760 R N 0.540 121.106 120.500 0.109 0.000 2.148 760 R HA -0.143 4.196 4.340 -0.000 0.000 0.227 760 R C 1.548 177.883 176.300 0.057 0.000 1.103 760 R CA 1.486 57.638 56.100 0.087 0.000 0.983 760 R CB -0.456 29.869 30.300 0.042 0.000 0.874 760 R HN 0.285 nan 8.270 nan 0.000 0.451 761 D N -0.123 120.291 120.400 0.024 0.000 2.075 761 D HA -0.134 4.506 4.640 -0.000 0.000 0.196 761 D C 1.767 178.013 176.300 -0.090 0.000 0.985 761 D CA 1.329 55.315 54.000 -0.023 0.000 0.834 761 D CB -0.466 40.319 40.800 -0.025 0.000 0.987 761 D HN 0.055 nan 8.370 nan 0.000 0.452 762 R N 0.174 120.572 120.500 -0.169 0.000 2.139 762 R HA -0.084 4.256 4.340 -0.000 0.000 0.243 762 R C -0.001 175.838 176.300 -0.770 0.000 1.145 762 R CA 1.028 56.821 56.100 -0.513 0.000 0.976 762 R CB -0.476 29.410 30.300 -0.691 0.000 0.866 762 R HN 0.177 nan 8.270 nan 0.000 0.449 763 F N 0.762 120.713 119.950 0.002 0.000 2.622 763 F HA 0.378 4.904 4.527 -0.000 0.000 0.338 763 F C -1.535 174.264 175.800 -0.001 0.000 1.334 763 F CA -2.442 55.559 58.000 0.001 0.000 1.179 763 F CB 1.768 40.768 39.000 0.000 0.000 1.471 763 F HN -0.047 nan 8.300 nan 0.000 0.576 764 P HA -0.250 nan 4.420 nan 0.000 0.222 764 P C 0.151 177.492 177.300 0.069 0.000 1.157 764 P CA 2.132 65.270 63.100 0.063 0.000 0.905 764 P CB 0.150 31.869 31.700 0.032 0.000 0.792 765 D N -2.161 118.288 120.400 0.083 0.000 2.593 765 D HA 0.267 4.907 4.640 -0.000 0.000 0.241 765 D C 0.154 176.489 176.300 0.058 0.000 1.257 765 D CA -0.562 53.474 54.000 0.060 0.000 0.828 765 D CB -0.583 40.246 40.800 0.049 0.000 1.049 765 D HN 0.061 nan 8.370 nan 0.000 0.490 766 L N 0.847 122.117 121.223 0.078 0.000 2.305 766 L HA 0.499 4.839 4.340 -0.000 0.000 0.281 766 L C -2.727 174.137 176.870 -0.011 0.000 1.085 766 L CA -2.198 52.659 54.840 0.029 0.000 0.813 766 L CB 0.827 42.889 42.059 0.005 0.000 1.157 766 L HN -0.200 nan 8.230 nan 0.000 0.436 767 P HA 0.235 nan 4.420 nan 0.000 0.276 767 P C -1.208 176.034 177.300 -0.096 0.000 1.243 767 P CA 0.173 63.222 63.100 -0.085 0.000 0.768 767 P CB 0.514 32.151 31.700 -0.106 0.000 0.856 768 L N 3.860 125.019 121.223 -0.108 0.000 2.296 768 L HA 0.459 4.799 4.340 -0.000 0.000 0.286 768 L C 0.326 177.134 176.870 -0.103 0.000 1.023 768 L CA -0.469 54.318 54.840 -0.088 0.000 0.812 768 L CB 1.163 43.184 42.059 -0.063 0.000 1.223 768 L HN 0.472 nan 8.230 nan 0.000 0.421 769 H N 4.329 123.276 119.070 -0.205 0.000 2.589 769 H HA 0.509 5.065 4.556 -0.000 0.000 0.335 769 H C -1.026 174.205 175.328 -0.162 0.000 1.019 769 H CA -0.964 54.935 56.048 -0.248 0.000 1.213 769 H CB 1.576 31.169 29.762 -0.282 0.000 1.472 769 H HN 0.344 nan 8.280 nan 0.000 0.508 770 I N 4.216 124.760 120.570 -0.043 0.000 2.404 770 I HA 0.148 4.318 4.170 -0.000 0.000 0.293 770 I C -0.178 175.846 176.117 -0.154 0.000 0.992 770 I CA -0.438 60.786 61.300 -0.127 0.000 1.149 770 I CB 1.058 38.989 38.000 -0.115 0.000 1.315 770 I HN 0.707 nan 8.210 nan 0.000 0.446 771 H N 3.468 122.381 119.070 -0.262 0.000 2.529 771 H HA 0.683 5.239 4.556 -0.000 0.000 0.348 771 H C -0.894 174.313 175.328 -0.202 0.000 1.079 771 H CA -0.081 55.822 56.048 -0.242 0.000 1.198 771 H CB 1.640 31.234 29.762 -0.280 0.000 1.521 771 H HN 0.730 nan 8.280 nan 0.000 0.514 772 T N 3.334 117.507 114.554 -0.634 0.000 2.816 772 T HA 0.366 4.716 4.350 -0.000 0.000 0.299 772 T C -1.654 172.837 174.700 -0.348 0.000 1.230 772 T CA -0.625 61.201 62.100 -0.455 0.000 1.007 772 T CB 0.921 69.651 68.868 -0.230 0.000 1.289 772 T HN 0.804 nan 8.240 nan 0.000 0.508 773 H N 1.286 120.176 119.070 -0.301 0.000 2.589 773 H HA 0.283 4.839 4.556 -0.000 0.000 0.351 773 H C -0.266 174.949 175.328 -0.189 0.000 1.074 773 H CA -0.862 55.041 56.048 -0.241 0.000 1.203 773 H CB 1.817 31.469 29.762 -0.183 0.000 1.558 773 H HN 0.538 nan 8.280 nan 0.000 0.522 774 D N 1.864 122.223 120.400 -0.067 0.000 2.390 774 D HA -0.081 4.559 4.640 -0.000 0.000 0.235 774 D C 1.289 177.510 176.300 -0.130 0.000 1.040 774 D CA 0.607 54.548 54.000 -0.098 0.000 0.923 774 D CB 0.107 40.844 40.800 -0.105 0.000 0.886 774 D HN 0.590 nan 8.370 nan 0.000 0.532 775 T N -1.039 113.428 114.554 -0.145 0.000 2.649 775 T HA -0.275 4.075 4.350 -0.000 0.000 0.268 775 T C 2.081 176.631 174.700 -0.249 0.000 1.036 775 T CA 2.119 64.083 62.100 -0.227 0.000 1.157 775 T CB -0.435 68.296 68.868 -0.229 0.000 0.861 775 T HN 0.345 nan 8.240 nan 0.000 0.445 776 S N 0.413 115.956 115.700 -0.260 0.000 2.368 776 S HA 0.216 4.686 4.470 -0.000 0.000 0.224 776 S C 2.033 176.548 174.600 -0.143 0.000 1.029 776 S CA 1.273 59.280 58.200 -0.321 0.000 0.988 776 S CB -0.378 62.462 63.200 -0.599 0.000 0.838 776 S HN 0.859 nan 8.310 nan 0.000 0.462 777 G N 0.029 108.773 108.800 -0.095 0.000 2.485 777 G HA2 0.070 4.029 3.960 -0.000 0.000 0.181 777 G HA3 0.070 4.029 3.960 -0.000 0.000 0.181 777 G C 0.786 175.678 174.900 -0.013 0.000 0.999 777 G CA 0.265 45.338 45.100 -0.045 0.000 0.721 777 G HN 0.907 nan 8.290 nan 0.000 0.486 778 A N 0.321 123.145 122.820 0.007 0.000 1.858 778 A HA 0.546 4.866 4.320 -0.000 0.000 0.215 778 A C 3.034 180.610 177.584 -0.013 0.000 1.320 778 A CA 2.933 54.984 52.037 0.023 0.000 0.601 778 A CB -1.257 17.787 19.000 0.073 0.000 0.976 778 A HN 2.205 nan 8.150 nan 0.000 0.470 779 G N -1.186 107.598 108.800 -0.028 0.000 3.947 779 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.365 779 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.365 779 G C 1.435 176.306 174.900 -0.048 0.000 1.532 779 G CA 2.563 47.630 45.100 -0.054 0.000 1.426 779 G HN 1.099 nan 8.290 nan 0.000 0.794 780 V N 1.540 121.431 119.914 -0.038 0.000 2.255 780 V HA -0.047 4.073 4.120 -0.000 0.000 0.247 780 V C 3.447 179.528 176.094 -0.022 0.000 1.051 780 V CA 3.381 65.663 62.300 -0.029 0.000 1.018 780 V CB -1.487 30.325 31.823 -0.018 0.000 0.641 780 V HN 1.161 nan 8.190 nan 0.000 0.445 781 A N 0.058 122.869 122.820 -0.014 0.000 1.917 781 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 781 A C 2.439 180.014 177.584 -0.016 0.000 1.182 781 A CA 2.569 54.601 52.037 -0.008 0.000 0.633 781 A CB -0.945 18.056 19.000 0.002 0.000 0.819 781 A HN 0.625 nan 8.150 nan 0.000 0.448 782 A N -0.721 122.086 122.820 -0.022 0.000 1.851 782 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 782 A C 2.197 179.748 177.584 -0.056 0.000 1.195 782 A CA 2.202 54.216 52.037 -0.039 0.000 0.622 782 A CB -0.566 18.406 19.000 -0.047 0.000 0.831 782 A HN 0.432 nan 8.150 nan 0.000 0.444 783 M N -0.324 119.240 119.600 -0.060 0.000 2.106 783 M HA -0.120 4.360 4.480 -0.000 0.000 0.259 783 M C 2.190 178.463 176.300 -0.045 0.000 1.068 783 M CA 1.292 56.555 55.300 -0.061 0.000 1.100 783 M CB -1.550 31.015 32.600 -0.058 0.000 1.351 783 M HN 0.402 nan 8.290 nan 0.000 0.404 784 L N -0.382 120.821 121.223 -0.032 0.000 2.127 784 L HA -0.208 4.132 4.340 -0.000 0.000 0.211 784 L C 2.699 179.555 176.870 -0.024 0.000 1.089 784 L CA 1.159 55.986 54.840 -0.022 0.000 0.757 784 L CB -0.887 41.165 42.059 -0.013 0.000 0.899 784 L HN 0.295 nan 8.230 nan 0.000 0.434 785 A N -0.671 122.131 122.820 -0.030 0.000 1.873 785 A HA -0.203 4.117 4.320 -0.000 0.000 0.215 785 A C 2.438 179.999 177.584 -0.038 0.000 1.186 785 A CA 1.609 53.628 52.037 -0.030 0.000 0.616 785 A CB -1.093 17.887 19.000 -0.033 0.000 0.823 785 A HN 0.523 nan 8.150 nan 0.000 0.442 786 C N -0.628 118.640 119.300 -0.053 0.000 2.398 786 C HA -0.067 4.393 4.460 -0.000 0.000 0.276 786 C C 3.270 178.233 174.990 -0.046 0.000 1.222 786 C CA 0.930 59.911 59.018 -0.061 0.000 1.746 786 C CB -1.571 26.120 27.740 -0.080 0.000 2.039 786 C HN 0.696 nan 8.230 nan 0.000 0.470 787 A N 0.163 122.960 122.820 -0.039 0.000 1.845 787 A HA -0.215 4.105 4.320 -0.000 0.000 0.215 787 A C 2.149 179.721 177.584 -0.020 0.000 1.195 787 A CA 1.825 53.845 52.037 -0.029 0.000 0.616 787 A CB -0.759 18.228 19.000 -0.021 0.000 0.832 787 A HN 0.641 nan 8.150 nan 0.000 0.443 788 Q N -0.488 119.302 119.800 -0.017 0.000 2.103 788 Q HA -0.278 4.062 4.340 -0.000 0.000 0.213 788 Q C 2.142 178.136 176.000 -0.011 0.000 1.008 788 Q CA 2.089 57.885 55.803 -0.012 0.000 0.879 788 Q CB -0.943 27.788 28.738 -0.012 0.000 0.946 788 Q HN 0.691 nan 8.270 nan 0.000 0.413 789 A N -0.699 122.111 122.820 -0.016 0.000 2.252 789 A HA 0.339 4.659 4.320 -0.000 0.000 0.207 789 A C 1.322 178.899 177.584 -0.011 0.000 1.194 789 A CA 1.065 53.094 52.037 -0.013 0.000 0.809 789 A CB -0.272 18.718 19.000 -0.017 0.000 0.814 789 A HN 0.523 nan 8.150 nan 0.000 0.482 790 G N -2.397 106.395 108.800 -0.013 0.000 2.148 790 G HA2 0.163 4.122 3.960 -0.000 0.000 0.203 790 G HA3 0.163 4.122 3.960 -0.000 0.000 0.203 790 G C 0.330 175.217 174.900 -0.022 0.000 0.993 790 G CA 0.016 45.109 45.100 -0.011 0.000 0.661 790 G HN 1.521 nan 8.290 nan 0.000 0.518 791 A N 0.245 123.044 122.820 -0.035 0.000 2.477 791 A HA 0.547 4.867 4.320 -0.000 0.000 0.246 791 A C 1.167 178.710 177.584 -0.069 0.000 1.078 791 A CA 0.780 52.784 52.037 -0.055 0.000 0.770 791 A CB 0.328 19.291 19.000 -0.063 0.000 1.011 791 A HN 0.213 nan 8.150 nan 0.000 0.494 792 D N 0.566 120.902 120.400 -0.107 0.000 2.213 792 D HA 0.107 4.747 4.640 -0.000 0.000 0.205 792 D C 0.236 176.395 176.300 -0.236 0.000 0.961 792 D CA 1.353 55.265 54.000 -0.147 0.000 0.853 792 D CB 0.297 40.992 40.800 -0.175 0.000 0.967 792 D HN 0.285 nan 8.370 nan 0.000 0.496 793 V N 0.240 119.980 119.914 -0.290 0.000 3.147 793 V HA 0.456 4.575 4.120 -0.000 0.000 0.306 793 V C -0.617 175.432 176.094 -0.075 0.000 1.209 793 V CA -1.061 61.026 62.300 -0.354 0.000 1.023 793 V CB 2.877 34.075 31.823 -1.042 0.000 1.059 793 V HN -0.027 nan 8.190 nan 0.000 0.435 794 V N -1.605 118.298 119.914 -0.018 0.000 2.851 794 V HA 0.699 4.819 4.120 -0.000 0.000 0.307 794 V C -1.368 174.747 176.094 0.036 0.000 1.129 794 V CA -0.747 61.564 62.300 0.018 0.000 0.932 794 V CB 2.060 33.861 31.823 -0.037 0.000 1.024 794 V HN 0.744 nan 8.190 nan 0.000 0.426 795 D N 3.198 123.601 120.400 0.004 0.000 2.351 795 D HA 0.597 5.237 4.640 -0.000 0.000 0.251 795 D C 0.277 176.564 176.300 -0.022 0.000 1.137 795 D CA 0.337 54.350 54.000 0.022 0.000 0.879 795 D CB 1.796 42.629 40.800 0.054 0.000 1.181 795 D HN 1.147 nan 8.370 nan 0.000 0.448 796 V N -1.515 118.387 119.914 -0.018 0.000 3.159 796 V HA 0.965 5.085 4.120 -0.000 0.000 0.308 796 V C -0.961 175.101 176.094 -0.055 0.000 1.190 796 V CA -1.053 61.221 62.300 -0.044 0.000 1.037 796 V CB 1.755 33.555 31.823 -0.040 0.000 1.060 796 V HN 0.593 nan 8.190 nan 0.000 0.437 797 A N 1.300 124.076 122.820 -0.072 0.000 2.430 797 A HA 1.020 5.340 4.320 -0.000 0.000 0.300 797 A C 0.232 177.767 177.584 -0.081 0.000 1.124 797 A CA -0.529 51.446 52.037 -0.104 0.000 0.766 797 A CB 1.423 20.330 19.000 -0.155 0.000 1.328 797 A HN 2.528 nan 8.150 nan 0.000 0.424 798 A N 0.562 123.312 122.820 -0.117 0.000 2.531 798 A HA 0.328 4.648 4.320 -0.000 0.000 0.236 798 A C 0.653 178.205 177.584 -0.053 0.000 1.062 798 A CA 0.625 52.634 52.037 -0.047 0.000 0.760 798 A CB -0.437 18.394 19.000 -0.281 0.000 0.995 798 A HN 0.843 nan 8.150 nan 0.000 0.501 799 D N 1.423 121.846 120.400 0.039 0.000 2.204 799 D HA -0.243 4.396 4.640 -0.000 0.000 0.189 799 D C 2.259 178.552 176.300 -0.012 0.000 1.006 799 D CA 2.771 56.788 54.000 0.028 0.000 0.855 799 D CB -0.236 40.613 40.800 0.083 0.000 0.946 799 D HN 0.733 nan 8.370 nan 0.000 0.448 800 S N -1.021 114.680 115.700 0.002 0.000 2.500 800 S HA -0.101 4.369 4.470 -0.000 0.000 0.239 800 S C 1.394 175.964 174.600 -0.050 0.000 0.989 800 S CA 0.723 58.919 58.200 -0.007 0.000 0.951 800 S CB -0.011 63.212 63.200 0.040 0.000 0.759 800 S HN 0.133 nan 8.310 nan 0.000 0.523 801 M N 1.655 121.187 119.600 -0.114 0.000 2.416 801 M HA 0.322 4.802 4.480 -0.000 0.000 0.337 801 M C 0.500 176.697 176.300 -0.172 0.000 1.074 801 M CA -0.037 55.156 55.300 -0.177 0.000 0.968 801 M CB 0.114 32.508 32.600 -0.343 0.000 1.472 801 M HN 0.493 nan 8.290 nan 0.000 0.539 802 S N -0.479 115.144 115.700 -0.128 0.000 2.768 802 S HA 0.916 5.385 4.470 -0.000 0.000 0.300 802 S C 0.563 175.095 174.600 -0.114 0.000 1.122 802 S CA 0.130 58.257 58.200 -0.122 0.000 0.995 802 S CB 1.834 64.982 63.200 -0.087 0.000 1.195 802 S HN 0.582 nan 8.310 nan 0.000 0.547 803 G N -0.525 108.207 108.800 -0.114 0.000 2.746 803 G HA2 0.047 4.007 3.960 -0.000 0.000 0.685 803 G HA3 0.047 4.007 3.960 -0.000 0.000 0.685 803 G C 0.039 174.853 174.900 -0.144 0.000 1.350 803 G CA -0.304 44.729 45.100 -0.112 0.000 0.837 803 G HN 1.405 nan 8.290 nan 0.000 0.564 804 M N -1.868 117.643 119.600 -0.147 0.000 7.319 804 M HA -0.350 4.130 4.480 -0.000 0.000 0.191 804 M C 2.374 178.548 176.300 -0.211 0.000 0.480 804 M CA 3.431 58.620 55.300 -0.186 0.000 1.311 804 M CB -1.693 30.796 32.600 -0.186 0.000 0.421 804 M HN 1.885 nan 8.290 nan 0.000 0.563 805 T N -1.617 112.797 114.554 -0.235 0.000 3.155 805 T HA 0.118 4.467 4.350 -0.000 0.000 0.264 805 T C 0.723 175.179 174.700 -0.407 0.000 1.160 805 T CA 0.850 62.797 62.100 -0.255 0.000 1.075 805 T CB -0.157 68.593 68.868 -0.197 0.000 0.921 805 T HN 0.534 nan 8.240 nan 0.000 0.533 806 S N -0.081 115.415 115.700 -0.340 0.000 2.647 806 S HA 0.496 4.965 4.470 -0.000 0.000 0.284 806 S C -0.243 174.174 174.600 -0.306 0.000 1.134 806 S CA -0.806 57.162 58.200 -0.387 0.000 1.027 806 S CB 0.940 63.982 63.200 -0.263 0.000 1.180 806 S HN 0.339 nan 8.310 nan 0.000 0.521 807 Q N 1.692 121.356 119.800 -0.226 0.000 2.317 807 Q HA 0.441 4.780 4.340 -0.000 0.000 0.229 807 Q C -2.270 173.659 176.000 -0.120 0.000 0.984 807 Q CA -1.587 54.128 55.803 -0.147 0.000 0.911 807 Q CB 0.227 28.897 28.738 -0.114 0.000 1.217 807 Q HN 0.455 nan 8.270 nan 0.000 0.501 808 P HA -0.082 nan 4.420 nan 0.000 0.269 808 P C -0.566 176.701 177.300 -0.056 0.000 1.215 808 P CA -0.025 63.031 63.100 -0.073 0.000 0.780 808 P CB 0.607 32.269 31.700 -0.064 0.000 0.898 809 S N 3.084 118.760 115.700 -0.039 0.000 2.714 809 S HA -0.071 4.398 4.470 -0.000 0.000 0.318 809 S C 1.636 176.238 174.600 0.004 0.000 1.219 809 S CA -0.378 57.814 58.200 -0.014 0.000 1.175 809 S CB -0.845 62.357 63.200 0.004 0.000 0.961 809 S HN 0.538 nan 8.310 nan 0.000 0.518 810 M N 5.670 125.274 119.600 0.007 0.000 2.082 810 M HA -0.100 4.380 4.480 -0.000 0.000 0.258 810 M C 1.880 178.211 176.300 0.050 0.000 1.069 810 M CA 2.481 57.790 55.300 0.015 0.000 1.102 810 M CB -1.126 31.482 32.600 0.014 0.000 1.336 810 M HN 0.784 nan 8.290 nan 0.000 0.404 811 G N -0.752 108.104 108.800 0.093 0.000 2.443 811 G HA2 -0.059 3.900 3.960 -0.000 0.000 0.219 811 G HA3 -0.059 3.900 3.960 -0.000 0.000 0.219 811 G C 1.472 176.435 174.900 0.105 0.000 1.131 811 G CA 0.870 46.051 45.100 0.135 0.000 0.775 811 G HN 0.662 nan 8.290 nan 0.000 0.547 812 A N 0.495 123.357 122.820 0.070 0.000 1.929 812 A HA 0.191 4.511 4.320 -0.000 0.000 0.216 812 A C 2.332 179.939 177.584 0.038 0.000 1.176 812 A CA 0.845 52.912 52.037 0.051 0.000 0.628 812 A CB -0.261 18.756 19.000 0.028 0.000 0.816 812 A HN 0.271 nan 8.150 nan 0.000 0.444 813 L N -0.102 121.137 121.223 0.027 0.000 1.988 813 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 813 L C 2.697 179.584 176.870 0.027 0.000 1.071 813 L CA 1.638 56.489 54.840 0.017 0.000 0.744 813 L CB -1.450 40.612 42.059 0.004 0.000 0.893 813 L HN 0.258 nan 8.230 nan 0.000 0.433 814 V N 0.407 120.344 119.914 0.037 0.000 2.324 814 V HA -0.315 3.805 4.120 -0.000 0.000 0.250 814 V C 2.833 178.953 176.094 0.043 0.000 1.060 814 V CA 1.717 64.042 62.300 0.043 0.000 1.042 814 V CB -1.153 30.701 31.823 0.053 0.000 0.650 814 V HN 0.490 nan 8.190 nan 0.000 0.450 815 A N -0.916 121.937 122.820 0.054 0.000 1.845 815 A HA -0.248 4.071 4.320 -0.000 0.000 0.215 815 A C 2.232 179.843 177.584 0.044 0.000 1.195 815 A CA 2.156 54.227 52.037 0.058 0.000 0.616 815 A CB -1.190 17.858 19.000 0.080 0.000 0.832 815 A HN 0.588 nan 8.150 nan 0.000 0.443 816 C N -1.034 118.288 119.300 0.037 0.000 2.466 816 C HA 0.070 4.530 4.460 -0.000 0.000 0.283 816 C C 2.651 177.654 174.990 0.023 0.000 1.472 816 C CA 1.419 60.453 59.018 0.027 0.000 1.765 816 C CB -1.428 26.325 27.740 0.021 0.000 1.724 816 C HN 0.696 nan 8.230 nan 0.000 0.560 817 T N 0.145 114.715 114.554 0.025 0.000 3.014 817 T HA 0.073 4.423 4.350 -0.000 0.000 0.250 817 T C 0.839 175.555 174.700 0.026 0.000 1.060 817 T CA -0.284 61.830 62.100 0.023 0.000 1.040 817 T CB -0.007 68.875 68.868 0.024 0.000 0.971 817 T HN 0.692 nan 8.240 nan 0.000 0.497 818 R N -0.192 120.325 120.500 0.029 0.000 2.582 818 R HA 0.551 4.891 4.340 -0.000 0.000 0.271 818 R C 1.319 177.633 176.300 0.023 0.000 1.078 818 R CA 0.389 56.505 56.100 0.027 0.000 1.127 818 R CB 0.026 30.343 30.300 0.027 0.000 1.038 818 R HN 0.048 nan 8.270 nan 0.000 0.500 819 G N 0.238 109.050 108.800 0.020 0.000 2.205 819 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.261 819 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.261 819 G C 0.209 175.118 174.900 0.014 0.000 0.980 819 G CA 0.571 45.681 45.100 0.017 0.000 0.632 819 G HN 1.082 nan 8.290 nan 0.000 0.533 820 T N -2.549 112.014 114.554 0.015 0.000 2.949 820 T HA 0.752 5.101 4.350 -0.000 0.000 0.287 820 T C -1.074 173.633 174.700 0.011 0.000 1.034 820 T CA -0.863 61.244 62.100 0.012 0.000 1.018 820 T CB 2.790 71.665 68.868 0.012 0.000 1.135 820 T HN -0.045 nan 8.240 nan 0.000 0.532 821 P HA 0.089 nan 4.420 nan 0.000 0.234 821 P C 0.966 178.273 177.300 0.010 0.000 1.167 821 P CA 0.572 63.675 63.100 0.005 0.000 0.763 821 P CB 0.011 31.712 31.700 0.001 0.000 0.835 822 L N -0.904 120.329 121.223 0.017 0.000 2.667 822 L HA 0.214 4.554 4.340 -0.000 0.000 0.232 822 L C 0.919 177.813 176.870 0.040 0.000 1.138 822 L CA -0.406 54.450 54.840 0.026 0.000 0.921 822 L CB -0.520 41.549 42.059 0.018 0.000 1.180 822 L HN -0.091 nan 8.230 nan 0.000 0.487 823 D N 1.748 122.170 120.400 0.037 0.000 2.648 823 D HA -0.108 4.531 4.640 -0.000 0.000 0.229 823 D C 1.332 177.677 176.300 0.074 0.000 1.119 823 D CA 0.614 54.642 54.000 0.046 0.000 0.850 823 D CB 1.374 42.196 40.800 0.037 0.000 1.169 823 D HN 0.229 nan 8.370 nan 0.000 0.489 824 T N 0.394 114.991 114.554 0.072 0.000 3.067 824 T HA -0.022 4.328 4.350 -0.000 0.000 0.261 824 T C 0.911 175.676 174.700 0.108 0.000 1.110 824 T CA 0.479 62.633 62.100 0.091 0.000 1.113 824 T CB -0.019 68.888 68.868 0.065 0.000 0.917 824 T HN 0.722 nan 8.240 nan 0.000 0.499 825 E N -0.465 119.784 120.200 0.083 0.000 3.496 825 E HA -0.143 4.207 4.350 -0.000 0.000 0.300 825 E C -0.680 175.958 176.600 0.064 0.000 0.877 825 E CA 0.287 56.730 56.400 0.072 0.000 1.050 825 E CB -1.894 27.862 29.700 0.094 0.000 1.532 825 E HN 0.439 nan 8.360 nan 0.000 0.447 826 V N 1.699 121.657 119.914 0.073 0.000 2.455 826 V HA 0.156 4.276 4.120 -0.000 0.000 0.273 826 V C -1.900 174.217 176.094 0.038 0.000 1.045 826 V CA -1.112 61.240 62.300 0.086 0.000 0.976 826 V CB 0.779 32.691 31.823 0.148 0.000 0.993 826 V HN -0.028 nan 8.190 nan 0.000 0.475 827 P HA 0.071 nan 4.420 nan 0.000 0.260 827 P C 1.018 178.245 177.300 -0.121 0.000 1.207 827 P CA -0.033 63.034 63.100 -0.054 0.000 0.780 827 P CB 0.394 32.056 31.700 -0.063 0.000 0.789 828 M N 2.475 121.948 119.600 -0.212 0.000 2.103 828 M HA -0.244 4.235 4.480 -0.000 0.000 0.255 828 M C 1.854 177.580 176.300 -0.958 0.000 1.074 828 M CA 1.910 56.899 55.300 -0.519 0.000 1.090 828 M CB -1.300 31.023 32.600 -0.463 0.000 1.325 828 M HN 0.506 nan 8.290 nan 0.000 0.403 829 E N 0.144 119.998 120.200 -0.576 0.000 2.086 829 E HA -0.272 4.078 4.350 -0.000 0.000 0.205 829 E C 2.092 178.641 176.600 -0.086 0.000 1.027 829 E CA 1.978 58.196 56.400 -0.303 0.000 0.830 829 E CB -0.007 29.656 29.700 -0.062 0.000 0.751 829 E HN 0.519 nan 8.360 nan 0.000 0.456 830 R N -0.084 120.410 120.500 -0.011 0.000 2.096 830 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 830 R C 2.662 179.238 176.300 0.460 0.000 1.127 830 R CA 1.464 57.684 56.100 0.200 0.000 0.968 830 R CB -0.535 29.747 30.300 -0.029 0.000 0.861 830 R HN 0.313 nan 8.270 nan 0.000 0.440 831 V N -1.272 118.844 119.914 0.336 0.000 2.759 831 V HA -0.140 3.979 4.120 -0.000 0.000 0.256 831 V C 1.800 178.230 176.094 0.561 0.000 1.080 831 V CA 1.380 63.965 62.300 0.475 0.000 1.101 831 V CB -0.745 31.245 31.823 0.278 0.000 0.698 831 V HN 0.206 nan 8.190 nan 0.000 0.477 832 F N 0.900 121.019 119.950 0.282 0.000 2.098 832 F HA -0.072 4.455 4.527 -0.000 0.000 0.294 832 F C 2.626 178.546 175.800 0.199 0.000 1.107 832 F CA 1.222 59.342 58.000 0.199 0.000 1.234 832 F CB -0.365 38.722 39.000 0.146 0.000 1.002 832 F HN 0.209 nan 8.300 nan 0.000 0.472 833 D N -0.282 120.369 120.400 0.419 0.000 2.144 833 D HA -0.214 4.425 4.640 -0.000 0.000 0.199 833 D C 1.778 178.196 176.300 0.196 0.000 0.984 833 D CA 1.209 55.337 54.000 0.213 0.000 0.834 833 D CB -0.679 40.181 40.800 0.100 0.000 0.955 833 D HN 0.259 nan 8.370 nan 0.000 0.465 834 Y N 1.530 121.985 120.300 0.258 0.000 2.145 834 Y HA -0.190 4.360 4.550 -0.000 0.000 0.286 834 Y C 2.618 178.817 175.900 0.499 0.000 1.145 834 Y CA 1.391 59.732 58.100 0.402 0.000 1.148 834 Y CB -0.521 38.355 38.460 0.693 0.000 0.981 834 Y HN -0.125 nan 8.280 nan 0.000 0.507 835 S N -0.489 115.420 115.700 0.348 0.000 2.383 835 S HA -0.209 4.261 4.470 -0.000 0.000 0.227 835 S C 2.048 176.742 174.600 0.156 0.000 1.026 835 S CA 1.406 59.738 58.200 0.220 0.000 0.981 835 S CB -0.495 62.834 63.200 0.215 0.000 0.818 835 S HN 0.619 nan 8.310 nan 0.000 0.472 836 E N 0.206 120.497 120.200 0.152 0.000 2.049 836 E HA -0.259 4.091 4.350 -0.000 0.000 0.198 836 E C 1.810 178.422 176.600 0.020 0.000 1.007 836 E CA 2.031 58.478 56.400 0.077 0.000 0.809 836 E CB -0.781 28.973 29.700 0.090 0.000 0.749 836 E HN 0.739 nan 8.360 nan 0.000 0.450 837 Y N -0.612 119.625 120.300 -0.104 0.000 2.097 837 Y HA -0.219 4.331 4.550 -0.000 0.000 0.282 837 Y C 1.800 177.509 175.900 -0.319 0.000 1.152 837 Y CA 2.277 60.226 58.100 -0.252 0.000 1.136 837 Y CB -0.724 37.507 38.460 -0.381 0.000 0.975 837 Y HN 0.167 nan 8.280 nan 0.000 0.498 838 W N 1.029 122.148 121.300 -0.302 0.000 2.374 838 W HA -0.120 4.540 4.660 -0.000 0.000 0.288 838 W C 2.596 178.946 176.519 -0.281 0.000 1.218 838 W CA 1.645 58.770 57.345 -0.366 0.000 1.245 838 W CB -0.476 28.816 29.460 -0.280 0.000 1.126 838 W HN 0.213 nan 8.180 nan 0.000 0.545 839 E N -0.014 120.187 120.200 0.001 0.000 2.118 839 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 839 E C 2.381 178.934 176.600 -0.080 0.000 0.992 839 E CA 1.587 57.976 56.400 -0.020 0.000 0.804 839 E CB -0.522 29.169 29.700 -0.016 0.000 0.741 839 E HN 0.267 nan 8.360 nan 0.000 0.458 840 G N 0.318 109.014 108.800 -0.173 0.000 2.426 840 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.214 840 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.214 840 G C 1.641 176.401 174.900 -0.233 0.000 1.156 840 G CA 0.586 45.573 45.100 -0.188 0.000 0.802 840 G HN 0.381 nan 8.290 nan 0.000 0.534 841 A N 0.931 123.486 122.820 -0.440 0.000 1.908 841 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 841 A C 2.279 179.861 177.584 -0.003 0.000 1.181 841 A CA 1.865 53.677 52.037 -0.376 0.000 0.627 841 A CB -0.456 18.057 19.000 -0.812 0.000 0.818 841 A HN 0.354 nan 8.150 nan 0.000 0.445 842 R N -0.412 120.102 120.500 0.022 0.000 2.152 842 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 842 R C 2.025 178.408 176.300 0.138 0.000 1.117 842 R CA 1.285 57.467 56.100 0.136 0.000 0.981 842 R CB -0.596 29.746 30.300 0.070 0.000 0.870 842 R HN 0.457 nan 8.270 nan 0.000 0.451 843 G N 0.436 109.260 108.800 0.040 0.000 2.509 843 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.218 843 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.218 843 G C 1.276 176.175 174.900 -0.002 0.000 1.124 843 G CA 0.258 45.364 45.100 0.010 0.000 0.776 843 G HN 0.256 nan 8.290 nan 0.000 0.547 844 L N -1.259 119.962 121.223 -0.004 0.000 2.270 844 L HA 0.162 4.502 4.340 -0.000 0.000 0.210 844 L C 0.930 177.663 176.870 -0.228 0.000 1.104 844 L CA 0.324 55.071 54.840 -0.156 0.000 0.804 844 L CB 0.016 41.909 42.059 -0.277 0.000 0.937 844 L HN 0.143 nan 8.230 nan 0.000 0.450 845 Y N -0.417 119.909 120.300 0.043 0.000 2.897 845 Y HA 0.342 4.892 4.550 -0.000 0.000 0.372 845 Y C 1.643 177.608 175.900 0.108 0.000 1.034 845 Y CA -0.302 57.890 58.100 0.153 0.000 1.627 845 Y CB -0.389 38.146 38.460 0.125 0.000 1.474 845 Y HN -0.006 nan 8.280 nan 0.000 0.517 846 A N 0.258 123.137 122.820 0.099 0.000 2.067 846 A HA 0.005 4.325 4.320 -0.000 0.000 0.219 846 A C 2.275 179.821 177.584 -0.063 0.000 1.158 846 A CA 1.367 53.416 52.037 0.020 0.000 0.661 846 A CB -0.399 18.590 19.000 -0.019 0.000 0.801 846 A HN 0.503 nan 8.150 nan 0.000 0.452 847 A N -1.853 120.874 122.820 -0.156 0.000 2.206 847 A HA 0.333 4.652 4.320 -0.000 0.000 0.211 847 A C 1.003 178.074 177.584 -0.856 0.000 1.158 847 A CA 0.660 52.396 52.037 -0.501 0.000 0.761 847 A CB -0.455 18.144 19.000 -0.669 0.000 0.801 847 A HN 0.485 nan 8.150 nan 0.000 0.473 848 F N -0.990 118.923 119.950 -0.061 0.000 2.772 848 F HA 0.255 4.782 4.527 -0.000 0.000 0.316 848 F C -0.000 175.711 175.800 -0.148 0.000 1.114 848 F CA -1.210 56.709 58.000 -0.135 0.000 1.191 848 F CB 0.484 39.444 39.000 -0.066 0.000 1.065 848 F HN -0.042 nan 8.300 nan 0.000 0.534 849 D N 1.260 121.658 120.400 -0.002 0.000 2.338 849 D HA 0.049 4.689 4.640 -0.000 0.000 0.255 849 D C 1.394 177.653 176.300 -0.068 0.000 1.237 849 D CA 0.074 54.064 54.000 -0.017 0.000 0.883 849 D CB 1.192 41.995 40.800 0.005 0.000 1.087 849 D HN 0.431 nan 8.370 nan 0.000 0.485 850 C N 1.528 120.782 119.300 -0.075 0.000 2.430 850 C HA -0.085 4.375 4.460 -0.000 0.000 0.288 850 C C 2.392 177.375 174.990 -0.012 0.000 1.448 850 C CA 0.428 59.416 59.018 -0.051 0.000 1.784 850 C CB -1.315 26.389 27.740 -0.059 0.000 1.776 850 C HN 0.666 nan 8.230 nan 0.000 0.547 851 T N 1.024 115.560 114.554 -0.030 0.000 2.822 851 T HA -0.119 4.231 4.350 -0.000 0.000 0.270 851 T C 2.055 176.756 174.700 0.003 0.000 1.064 851 T CA 2.020 64.103 62.100 -0.028 0.000 1.131 851 T CB -0.487 68.364 68.868 -0.028 0.000 0.858 851 T HN 0.809 nan 8.240 nan 0.000 0.483 852 A N 0.649 123.490 122.820 0.034 0.000 1.917 852 A HA -0.118 4.201 4.320 -0.000 0.000 0.219 852 A C 2.610 180.252 177.584 0.098 0.000 1.182 852 A CA 2.767 54.847 52.037 0.071 0.000 0.633 852 A CB -1.084 17.984 19.000 0.114 0.000 0.819 852 A HN 0.733 nan 8.150 nan 0.000 0.448 853 T N -4.723 109.928 114.554 0.160 0.000 3.038 853 T HA 0.364 4.714 4.350 -0.000 0.000 0.244 853 T C 0.803 175.592 174.700 0.148 0.000 1.016 853 T CA 0.033 62.247 62.100 0.190 0.000 1.098 853 T CB -0.107 68.975 68.868 0.357 0.000 0.954 853 T HN 0.187 nan 8.240 nan 0.000 0.469 854 M N 2.075 121.649 119.600 -0.043 0.000 2.105 854 M HA 0.390 4.869 4.480 -0.000 0.000 0.350 854 M C -0.183 176.035 176.300 -0.136 0.000 1.308 854 M CA -0.150 54.984 55.300 -0.277 0.000 1.108 854 M CB 1.405 33.780 32.600 -0.375 0.000 1.622 854 M HN 0.080 nan 8.290 nan 0.000 0.468 855 K N 0.886 121.220 120.400 -0.111 0.000 2.387 855 K HA 0.182 4.501 4.320 -0.000 0.000 0.203 855 K C -0.139 176.413 176.600 -0.080 0.000 1.030 855 K CA -0.168 56.075 56.287 -0.072 0.000 1.099 855 K CB 0.545 33.020 32.500 -0.042 0.000 0.863 855 K HN 0.755 nan 8.250 nan 0.000 0.529 856 S N -2.415 113.218 115.700 -0.112 0.000 2.701 856 S HA 0.437 4.907 4.470 -0.000 0.000 0.267 856 S C 0.106 174.615 174.600 -0.152 0.000 1.034 856 S CA -0.748 57.386 58.200 -0.109 0.000 0.867 856 S CB -0.223 62.934 63.200 -0.071 0.000 1.123 856 S HN 0.115 nan 8.310 nan 0.000 0.470 857 G N 0.214 108.924 108.800 -0.149 0.000 2.525 857 G HA2 0.515 4.475 3.960 -0.000 0.000 0.276 857 G HA3 0.515 4.475 3.960 -0.000 0.000 0.276 857 G C -0.379 174.413 174.900 -0.179 0.000 1.388 857 G CA -0.329 44.650 45.100 -0.202 0.000 1.050 857 G HN 1.107 nan 8.290 nan 0.000 0.520 858 N N -2.209 116.364 118.700 -0.211 0.000 2.839 858 N HA 0.119 4.859 4.740 -0.000 0.000 0.258 858 N C 0.725 176.163 175.510 -0.121 0.000 1.150 858 N CA 0.159 53.136 53.050 -0.122 0.000 0.957 858 N CB 1.151 39.593 38.487 -0.075 0.000 1.560 858 N HN 0.421 nan 8.380 nan 0.000 0.588 859 S N 1.555 117.221 115.700 -0.056 0.000 2.555 859 S HA -0.139 4.331 4.470 -0.000 0.000 0.230 859 S C 1.145 175.758 174.600 0.022 0.000 0.978 859 S CA 1.100 59.272 58.200 -0.046 0.000 0.934 859 S CB -0.191 63.070 63.200 0.103 0.000 0.766 859 S HN 0.753 nan 8.310 nan 0.000 0.533 860 D N 1.355 121.784 120.400 0.050 0.000 2.392 860 D HA -0.022 4.618 4.640 -0.000 0.000 0.228 860 D C 1.502 177.854 176.300 0.088 0.000 1.003 860 D CA 0.271 54.320 54.000 0.082 0.000 0.917 860 D CB -0.504 40.332 40.800 0.060 0.000 0.890 860 D HN 0.347 nan 8.370 nan 0.000 0.532 861 V N -0.342 119.594 119.914 0.037 0.000 2.626 861 V HA -0.196 3.924 4.120 -0.000 0.000 0.252 861 V C 1.510 177.617 176.094 0.021 0.000 1.067 861 V CA 1.216 63.540 62.300 0.041 0.000 1.081 861 V CB -0.782 30.988 31.823 -0.089 0.000 0.686 861 V HN 0.237 nan 8.190 nan 0.000 0.468 862 Y N 0.083 120.427 120.300 0.074 0.000 2.651 862 Y HA -0.159 4.391 4.550 -0.000 0.000 0.296 862 Y C 2.433 178.365 175.900 0.054 0.000 1.150 862 Y CA 1.421 59.557 58.100 0.060 0.000 1.348 862 Y CB 0.263 38.752 38.460 0.047 0.000 0.983 862 Y HN 0.466 nan 8.280 nan 0.000 0.555 863 E N 0.225 120.535 120.200 0.183 0.000 2.288 863 E HA -0.090 4.260 4.350 -0.000 0.000 0.200 863 E C 1.546 178.211 176.600 0.108 0.000 0.880 863 E CA 0.791 57.266 56.400 0.124 0.000 0.971 863 E CB 0.061 29.816 29.700 0.091 0.000 0.954 863 E HN 0.474 nan 8.360 nan 0.000 0.489 864 N N 0.525 119.285 118.700 0.099 0.000 2.416 864 N HA -0.053 4.687 4.740 -0.000 0.000 0.177 864 N C -0.265 175.387 175.510 0.238 0.000 1.036 864 N CA 0.868 54.004 53.050 0.142 0.000 0.901 864 N CB 0.073 38.565 38.487 0.009 0.000 0.976 864 N HN 0.156 nan 8.380 nan 0.000 0.444 865 E N -0.558 119.742 120.200 0.166 0.000 2.586 865 E HA -0.191 4.159 4.350 -0.000 0.000 0.259 865 E C -0.863 175.873 176.600 0.226 0.000 1.107 865 E CA 0.282 56.788 56.400 0.177 0.000 0.754 865 E CB -1.813 27.983 29.700 0.161 0.000 1.335 865 E HN 0.571 nan 8.360 nan 0.000 0.411 866 I N 2.143 122.775 120.570 0.104 0.000 2.396 866 I HA 0.156 4.325 4.170 -0.000 0.000 0.289 866 I C -1.324 174.871 176.117 0.130 0.000 1.056 866 I CA -1.850 59.425 61.300 -0.043 0.000 1.365 866 I CB 0.166 37.924 38.000 -0.403 0.000 1.407 866 I HN -0.146 nan 8.210 nan 0.000 0.509 867 P HA -0.017 nan 4.420 nan 0.000 0.270 867 P C 0.889 178.314 177.300 0.209 0.000 1.223 867 P CA -0.019 63.173 63.100 0.154 0.000 0.785 867 P CB 0.758 32.539 31.700 0.136 0.000 0.923 868 G N 2.106 111.072 108.800 0.277 0.000 2.599 868 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.219 868 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.219 868 G C 1.751 176.723 174.900 0.121 0.000 1.193 868 G CA 1.294 46.523 45.100 0.215 0.000 0.778 868 G HN 0.643 nan 8.290 nan 0.000 0.589 869 G N 0.041 108.906 108.800 0.107 0.000 2.514 869 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.217 869 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.217 869 G C 1.762 176.718 174.900 0.094 0.000 1.198 869 G CA 1.389 46.523 45.100 0.056 0.000 0.780 869 G HN 0.576 nan 8.290 nan 0.000 0.565 870 Q N -1.264 118.603 119.800 0.111 0.000 2.181 870 Q HA -0.211 4.129 4.340 -0.000 0.000 0.205 870 Q C 2.205 178.277 176.000 0.120 0.000 0.980 870 Q CA 1.407 57.267 55.803 0.094 0.000 0.862 870 Q CB -0.310 28.469 28.738 0.069 0.000 0.905 870 Q HN 0.558 nan 8.270 nan 0.000 0.429 871 Y N 1.183 121.510 120.300 0.046 0.000 2.089 871 Y HA -0.230 4.320 4.550 -0.000 0.000 0.282 871 Y C 2.395 178.380 175.900 0.142 0.000 1.139 871 Y CA 2.194 60.361 58.100 0.112 0.000 1.123 871 Y CB -0.760 37.745 38.460 0.075 0.000 0.980 871 Y HN 0.135 nan 8.280 nan 0.000 0.493 872 T N 1.152 115.914 114.554 0.347 0.000 2.653 872 T HA -0.263 4.087 4.350 -0.000 0.000 0.268 872 T C 1.619 176.443 174.700 0.205 0.000 1.035 872 T CA 1.770 63.992 62.100 0.203 0.000 1.154 872 T CB -0.461 68.440 68.868 0.055 0.000 0.862 872 T HN 0.418 nan 8.240 nan 0.000 0.441 873 N N 1.367 120.157 118.700 0.150 0.000 2.058 873 N HA -0.041 4.699 4.740 -0.000 0.000 0.191 873 N C 1.781 177.355 175.510 0.106 0.000 1.037 873 N CA 0.958 54.093 53.050 0.141 0.000 0.848 873 N CB -0.670 37.874 38.487 0.095 0.000 1.021 873 N HN 0.227 nan 8.380 nan 0.000 0.422 874 L N 1.225 122.457 121.223 0.015 0.000 2.083 874 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 874 L C 2.400 178.923 176.870 -0.579 0.000 1.083 874 L CA 1.409 56.146 54.840 -0.171 0.000 0.752 874 L CB -1.421 40.601 42.059 -0.062 0.000 0.899 874 L HN 0.389 nan 8.230 nan 0.000 0.433 875 H N -0.895 117.808 119.070 -0.611 0.000 2.321 875 H HA -0.240 4.316 4.556 -0.000 0.000 0.300 875 H C 2.268 177.480 175.328 -0.194 0.000 1.087 875 H CA 2.001 57.638 56.048 -0.685 0.000 1.319 875 H CB -0.232 29.563 29.762 0.056 0.000 1.379 875 H HN 0.300 nan 8.280 nan 0.000 0.501 876 F N 2.026 122.019 119.950 0.070 0.000 2.095 876 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 876 F C 2.562 178.320 175.800 -0.070 0.000 1.104 876 F CA 1.510 59.546 58.000 0.060 0.000 1.232 876 F CB -0.404 38.622 39.000 0.044 0.000 0.987 876 F HN 0.107 nan 8.300 nan 0.000 0.475 877 Q N 1.056 120.723 119.800 -0.222 0.000 1.967 877 Q HA -0.270 4.069 4.340 -0.000 0.000 0.210 877 Q C 2.548 178.296 176.000 -0.420 0.000 1.005 877 Q CA 2.091 57.699 55.803 -0.325 0.000 0.862 877 Q CB -1.547 27.097 28.738 -0.157 0.000 0.939 877 Q HN 0.544 nan 8.270 nan 0.000 0.417 878 A N 1.530 124.075 122.820 -0.459 0.000 1.852 878 A HA -0.261 4.058 4.320 -0.000 0.000 0.217 878 A C 1.940 179.234 177.584 -0.483 0.000 1.215 878 A CA 2.060 53.807 52.037 -0.484 0.000 0.641 878 A CB -1.273 17.334 19.000 -0.654 0.000 0.838 878 A HN 0.518 nan 8.150 nan 0.000 0.450 879 H N 0.347 119.149 119.070 -0.446 0.000 2.422 879 H HA -0.101 4.455 4.556 -0.000 0.000 0.298 879 H C 2.588 177.711 175.328 -0.341 0.000 1.098 879 H CA 1.799 57.639 56.048 -0.347 0.000 1.315 879 H CB -0.460 29.090 29.762 -0.352 0.000 1.382 879 H HN 0.698 nan 8.280 nan 0.000 0.523 880 S N 0.116 115.545 115.700 -0.451 0.000 2.500 880 S HA -0.078 4.391 4.470 -0.000 0.000 0.239 880 S C 1.500 175.904 174.600 -0.327 0.000 0.989 880 S CA 0.755 58.621 58.200 -0.555 0.000 0.951 880 S CB -0.184 62.190 63.200 -1.377 0.000 0.759 880 S HN 0.266 nan 8.310 nan 0.000 0.523 881 M N 1.153 120.586 119.600 -0.278 0.000 2.911 881 M HA 0.370 4.850 4.480 -0.000 0.000 0.381 881 M C 0.713 176.923 176.300 -0.150 0.000 1.287 881 M CA -0.028 55.160 55.300 -0.186 0.000 0.858 881 M CB 1.123 33.615 32.600 -0.179 0.000 1.385 881 M HN 0.315 nan 8.290 nan 0.000 0.504 882 G N 1.516 110.236 108.800 -0.133 0.000 2.386 882 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.295 882 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.295 882 G C -0.018 174.801 174.900 -0.136 0.000 0.979 882 G CA 0.242 45.282 45.100 -0.101 0.000 1.193 882 G HN 0.622 nan 8.290 nan 0.000 0.508 883 L N -0.220 120.869 121.223 -0.223 0.000 3.393 883 L HA 0.264 4.604 4.340 -0.000 0.000 0.319 883 L C 2.200 178.846 176.870 -0.373 0.000 1.309 883 L CA 0.139 54.836 54.840 -0.238 0.000 0.962 883 L CB 0.210 42.145 42.059 -0.207 0.000 1.391 883 L HN 0.387 nan 8.230 nan 0.000 0.607 884 G N 0.593 109.069 108.800 -0.540 0.000 2.442 884 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.219 884 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.219 884 G C 1.680 176.449 174.900 -0.217 0.000 1.141 884 G CA 1.300 45.919 45.100 -0.803 0.000 0.763 884 G HN 0.517 nan 8.290 nan 0.000 0.554 885 S N 0.678 116.307 115.700 -0.118 0.000 2.374 885 S HA -0.136 4.333 4.470 -0.000 0.000 0.227 885 S C 2.185 176.760 174.600 -0.041 0.000 1.037 885 S CA 1.545 59.716 58.200 -0.048 0.000 1.024 885 S CB -0.232 62.942 63.200 -0.043 0.000 0.861 885 S HN 0.247 nan 8.310 nan 0.000 0.456 886 K N 0.608 120.968 120.400 -0.067 0.000 2.002 886 K HA 0.008 4.327 4.320 -0.000 0.000 0.209 886 K C 1.779 178.399 176.600 0.033 0.000 1.048 886 K CA 1.054 57.318 56.287 -0.038 0.000 0.930 886 K CB -0.952 31.505 32.500 -0.072 0.000 0.714 886 K HN 0.435 nan 8.250 nan 0.000 0.438 887 F N 2.858 122.691 119.950 -0.194 0.000 2.111 887 F HA -0.312 4.215 4.527 -0.000 0.000 0.300 887 F C 2.306 178.045 175.800 -0.102 0.000 1.088 887 F CA 1.595 59.493 58.000 -0.169 0.000 1.243 887 F CB -0.447 38.421 39.000 -0.221 0.000 0.996 887 F HN 0.066 nan 8.300 nan 0.000 0.483 888 K N 0.396 120.771 120.400 -0.043 0.000 2.001 888 K HA -0.253 4.067 4.320 -0.000 0.000 0.214 888 K C 1.993 178.535 176.600 -0.097 0.000 1.050 888 K CA 2.149 58.361 56.287 -0.124 0.000 0.934 888 K CB -0.353 32.115 32.500 -0.054 0.000 0.718 888 K HN 0.358 nan 8.250 nan 0.000 0.443 889 E N 0.252 120.429 120.200 -0.039 0.000 2.068 889 E HA -0.259 4.091 4.350 -0.000 0.000 0.207 889 E C 1.993 178.587 176.600 -0.010 0.000 1.032 889 E CA 2.286 58.673 56.400 -0.022 0.000 0.839 889 E CB -0.455 29.238 29.700 -0.013 0.000 0.758 889 E HN 0.410 nan 8.360 nan 0.000 0.457 890 V N -0.127 119.797 119.914 0.017 0.000 2.332 890 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 890 V C 1.917 178.026 176.094 0.024 0.000 1.055 890 V CA 1.977 64.308 62.300 0.051 0.000 1.038 890 V CB -0.594 31.297 31.823 0.113 0.000 0.651 890 V HN 0.130 nan 8.190 nan 0.000 0.450 891 K N 0.505 120.846 120.400 -0.099 0.000 2.152 891 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 891 K C 2.291 178.881 176.600 -0.016 0.000 1.048 891 K CA 1.940 58.132 56.287 -0.160 0.000 0.933 891 K CB -0.264 32.022 32.500 -0.358 0.000 0.721 891 K HN 0.565 nan 8.250 nan 0.000 0.447 892 K N 0.160 120.549 120.400 -0.019 0.000 2.103 892 K HA -0.028 4.292 4.320 -0.000 0.000 0.204 892 K C 2.183 178.804 176.600 0.034 0.000 1.052 892 K CA 1.000 57.290 56.287 0.005 0.000 0.945 892 K CB -0.015 32.477 32.500 -0.012 0.000 0.722 892 K HN 0.091 nan 8.250 nan 0.000 0.443 893 A N 0.645 123.495 122.820 0.049 0.000 1.969 893 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 893 A C 1.976 179.616 177.584 0.092 0.000 1.169 893 A CA 0.983 53.054 52.037 0.058 0.000 0.635 893 A CB -0.617 18.421 19.000 0.063 0.000 0.810 893 A HN 0.331 nan 8.150 nan 0.000 0.445 894 Y N 0.865 121.157 120.300 -0.013 0.000 2.128 894 Y HA -0.227 4.322 4.550 -0.000 0.000 0.284 894 Y C 2.414 178.305 175.900 -0.014 0.000 1.154 894 Y CA 2.052 60.146 58.100 -0.011 0.000 1.149 894 Y CB -0.272 38.170 38.460 -0.029 0.000 0.976 894 Y HN 0.101 nan 8.280 nan 0.000 0.505 895 V N 0.163 120.136 119.914 0.098 0.000 2.295 895 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 895 V C 2.143 178.214 176.094 -0.039 0.000 1.049 895 V CA 2.282 64.594 62.300 0.019 0.000 1.024 895 V CB -0.711 31.138 31.823 0.043 0.000 0.648 895 V HN 0.382 nan 8.190 nan 0.000 0.447 896 E N 0.420 120.606 120.200 -0.022 0.000 2.077 896 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 896 E C 2.367 178.928 176.600 -0.064 0.000 0.989 896 E CA 1.271 57.648 56.400 -0.038 0.000 0.800 896 E CB -0.326 29.361 29.700 -0.021 0.000 0.746 896 E HN 0.599 nan 8.360 nan 0.000 0.452 897 A N 2.150 124.930 122.820 -0.066 0.000 1.877 897 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 897 A C 2.036 179.534 177.584 -0.145 0.000 1.186 897 A CA 1.671 53.661 52.037 -0.078 0.000 0.620 897 A CB -0.716 18.244 19.000 -0.067 0.000 0.822 897 A HN 0.250 nan 8.150 nan 0.000 0.443 898 N N -0.774 117.789 118.700 -0.229 0.000 2.120 898 N HA -0.224 4.515 4.740 -0.000 0.000 0.188 898 N C 1.881 177.316 175.510 -0.125 0.000 1.024 898 N CA 1.897 54.808 53.050 -0.232 0.000 0.852 898 N CB -0.214 38.100 38.487 -0.289 0.000 1.003 898 N HN 0.422 nan 8.380 nan 0.000 0.424 899 Q N 0.843 120.585 119.800 -0.096 0.000 2.119 899 Q HA 0.007 4.347 4.340 -0.000 0.000 0.201 899 Q C 2.131 178.085 176.000 -0.076 0.000 0.972 899 Q CA 1.169 56.932 55.803 -0.067 0.000 0.847 899 Q CB -0.387 28.318 28.738 -0.054 0.000 0.903 899 Q HN 0.455 nan 8.270 nan 0.000 0.433 900 M N -0.963 118.574 119.600 -0.106 0.000 2.374 900 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 900 M C 0.465 176.694 176.300 -0.120 0.000 1.067 900 M CA 1.132 56.327 55.300 -0.174 0.000 1.103 900 M CB 0.213 32.681 32.600 -0.221 0.000 1.402 900 M HN 0.220 nan 8.290 nan 0.000 0.444 901 L N -0.689 120.520 121.223 -0.024 0.000 2.700 901 L HA 0.313 4.652 4.340 -0.000 0.000 0.234 901 L C 0.931 177.870 176.870 0.115 0.000 1.156 901 L CA 0.243 55.160 54.840 0.127 0.000 0.946 901 L CB -0.046 42.056 42.059 0.071 0.000 1.216 901 L HN 0.570 nan 8.230 nan 0.000 0.493 902 G N 0.382 109.204 108.800 0.036 0.000 2.141 902 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.195 902 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.195 902 G C -0.008 174.889 174.900 -0.004 0.000 1.012 902 G CA -0.070 45.043 45.100 0.020 0.000 0.696 902 G HN 0.510 nan 8.290 nan 0.000 0.508 903 D N -1.278 119.113 120.400 -0.015 0.000 4.733 903 D HA -0.119 4.521 4.640 -0.000 0.000 0.239 903 D C 0.122 176.472 176.300 0.083 0.000 1.075 903 D CA 1.462 55.466 54.000 0.007 0.000 1.258 903 D CB -0.692 40.103 40.800 -0.008 0.000 0.761 903 D HN 0.598 nan 8.370 nan 0.000 0.378 904 L N 3.614 124.857 121.223 0.033 0.000 2.260 904 L HA 0.638 4.978 4.340 -0.000 0.000 0.265 904 L C 0.705 177.547 176.870 -0.047 0.000 1.015 904 L CA -0.910 53.947 54.840 0.029 0.000 0.826 904 L CB 0.739 42.734 42.059 -0.106 0.000 1.373 904 L HN 0.361 nan 8.230 nan 0.000 0.450 905 I N 1.054 121.554 120.570 -0.117 0.000 2.307 905 I HA 0.252 4.422 4.170 -0.000 0.000 0.289 905 I C -0.419 175.659 176.117 -0.064 0.000 1.021 905 I CA -0.452 60.743 61.300 -0.174 0.000 1.224 905 I CB 0.688 38.570 38.000 -0.196 0.000 1.376 905 I HN 0.432 nan 8.210 nan 0.000 0.470 906 K N 6.161 126.551 120.400 -0.017 0.000 2.299 906 K HA 0.574 4.894 4.320 -0.000 0.000 0.268 906 K C -0.945 175.713 176.600 0.097 0.000 1.075 906 K CA -0.315 55.998 56.287 0.043 0.000 0.936 906 K CB 1.431 33.994 32.500 0.106 0.000 1.228 906 K HN 0.309 nan 8.250 nan 0.000 0.454 907 V N 1.035 121.018 119.914 0.114 0.000 3.141 907 V HA 0.195 4.315 4.120 -0.000 0.000 0.312 907 V C 1.490 177.697 176.094 0.188 0.000 1.157 907 V CA -0.896 61.513 62.300 0.181 0.000 1.041 907 V CB 1.768 33.776 31.823 0.310 0.000 1.071 907 V HN 0.795 nan 8.190 nan 0.000 0.441 908 T N 2.554 117.242 114.554 0.224 0.000 2.412 908 T HA -0.240 4.110 4.350 -0.000 0.000 0.228 908 T C -0.859 173.925 174.700 0.141 0.000 1.426 908 T CA 3.143 65.359 62.100 0.192 0.000 1.096 908 T CB -1.275 67.743 68.868 0.250 0.000 0.834 908 T HN 0.699 nan 8.240 nan 0.000 0.439 909 P HA -0.131 nan 4.420 nan 0.000 0.202 909 P C 2.081 179.400 177.300 0.031 0.000 1.149 909 P CA 2.337 65.475 63.100 0.063 0.000 0.931 909 P CB -0.418 31.293 31.700 0.018 0.000 0.762 910 S N 0.315 116.009 115.700 -0.010 0.000 2.389 910 S HA -0.285 4.185 4.470 -0.000 0.000 0.229 910 S C 2.212 176.765 174.600 -0.078 0.000 1.048 910 S CA 2.717 60.855 58.200 -0.103 0.000 1.117 910 S CB -2.181 60.951 63.200 -0.114 0.000 1.020 910 S HN 0.361 nan 8.310 nan 0.000 0.430 911 S N 2.529 118.238 115.700 0.015 0.000 2.413 911 S HA -0.227 4.243 4.470 -0.000 0.000 0.237 911 S C 1.670 176.350 174.600 0.134 0.000 1.044 911 S CA 1.589 59.848 58.200 0.098 0.000 1.024 911 S CB -0.701 62.596 63.200 0.161 0.000 0.829 911 S HN 0.718 nan 8.310 nan 0.000 0.475 912 K N 0.375 120.832 120.400 0.095 0.000 2.418 912 K HA 0.337 4.657 4.320 -0.000 0.000 0.195 912 K C 1.775 178.417 176.600 0.070 0.000 1.035 912 K CA 0.636 56.986 56.287 0.107 0.000 1.003 912 K CB -0.140 32.420 32.500 0.100 0.000 0.793 912 K HN 0.472 nan 8.250 nan 0.000 0.494 913 I N 0.206 120.776 120.570 0.001 0.000 2.480 913 I HA -0.182 3.988 4.170 -0.000 0.000 0.251 913 I C 1.883 177.971 176.117 -0.048 0.000 1.124 913 I CA 0.751 62.029 61.300 -0.037 0.000 1.444 913 I CB -0.005 37.903 38.000 -0.154 0.000 1.098 913 I HN -0.113 nan 8.210 nan 0.000 0.428 914 V N 1.186 121.033 119.914 -0.112 0.000 2.515 914 V HA -0.137 3.983 4.120 -0.000 0.000 0.250 914 V C 2.571 178.655 176.094 -0.017 0.000 1.058 914 V CA 1.887 64.072 62.300 -0.193 0.000 1.064 914 V CB -1.365 30.149 31.823 -0.514 0.000 0.675 914 V HN 0.536 nan 8.190 nan 0.000 0.461 915 G N 0.464 109.361 108.800 0.162 0.000 2.511 915 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.216 915 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.216 915 G C 1.175 176.186 174.900 0.185 0.000 1.218 915 G CA 1.169 46.435 45.100 0.278 0.000 0.788 915 G HN 0.502 nan 8.290 nan 0.000 0.560 916 D N 0.297 120.780 120.400 0.138 0.000 2.133 916 D HA -0.146 4.493 4.640 -0.000 0.000 0.192 916 D C 2.345 178.755 176.300 0.183 0.000 1.001 916 D CA 1.007 55.087 54.000 0.134 0.000 0.844 916 D CB -0.619 40.236 40.800 0.092 0.000 0.944 916 D HN 0.234 nan 8.370 nan 0.000 0.447 917 L N 0.775 122.102 121.223 0.173 0.000 2.046 917 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 917 L C 2.126 179.141 176.870 0.242 0.000 1.077 917 L CA 1.900 56.891 54.840 0.252 0.000 0.747 917 L CB -0.948 41.233 42.059 0.202 0.000 0.896 917 L HN 0.009 nan 8.230 nan 0.000 0.432 918 A N -0.955 121.964 122.820 0.166 0.000 1.883 918 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 918 A C 2.161 179.833 177.584 0.146 0.000 1.186 918 A CA 1.958 54.085 52.037 0.151 0.000 0.624 918 A CB -0.607 18.522 19.000 0.215 0.000 0.822 918 A HN 0.692 nan 8.150 nan 0.000 0.444 919 Q N -1.955 117.944 119.800 0.165 0.000 2.119 919 Q HA -0.111 4.229 4.340 -0.000 0.000 0.201 919 Q C 1.937 178.023 176.000 0.144 0.000 0.972 919 Q CA 1.317 57.199 55.803 0.131 0.000 0.847 919 Q CB -0.321 28.493 28.738 0.128 0.000 0.903 919 Q HN 0.706 nan 8.270 nan 0.000 0.433 920 F N 1.761 121.732 119.950 0.035 0.000 2.046 920 F HA -0.247 4.280 4.527 -0.000 0.000 0.297 920 F C 2.058 177.845 175.800 -0.022 0.000 1.123 920 F CA 1.603 59.603 58.000 0.001 0.000 1.199 920 F CB -0.316 38.689 39.000 0.007 0.000 0.972 920 F HN -0.027 nan 8.300 nan 0.000 0.474 921 M N 0.226 119.778 119.600 -0.081 0.000 2.115 921 M HA -0.226 4.254 4.480 -0.000 0.000 0.258 921 M C 2.317 178.513 176.300 -0.173 0.000 1.071 921 M CA 2.708 57.891 55.300 -0.195 0.000 1.100 921 M CB -1.239 31.349 32.600 -0.020 0.000 1.292 921 M HN 0.276 nan 8.290 nan 0.000 0.415 922 V N -0.610 119.263 119.914 -0.069 0.000 2.231 922 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 922 V C 2.199 178.242 176.094 -0.084 0.000 1.054 922 V CA 2.386 64.653 62.300 -0.056 0.000 1.015 922 V CB -1.531 30.286 31.823 -0.010 0.000 0.638 922 V HN 0.676 nan 8.190 nan 0.000 0.444 923 Q N 1.027 120.779 119.800 -0.081 0.000 2.561 923 Q HA -0.148 4.192 4.340 -0.000 0.000 0.217 923 Q C 1.174 177.088 176.000 -0.143 0.000 0.980 923 Q CA 1.956 57.710 55.803 -0.082 0.000 0.927 923 Q CB -0.395 28.324 28.738 -0.032 0.000 0.980 923 Q HN 0.904 nan 8.270 nan 0.000 0.525 924 N N -1.006 117.552 118.700 -0.236 0.000 2.194 924 N HA 0.174 4.913 4.740 -0.000 0.000 0.231 924 N C -0.377 174.999 175.510 -0.222 0.000 1.247 924 N CA 0.168 53.047 53.050 -0.285 0.000 0.884 924 N CB 1.167 39.324 38.487 -0.549 0.000 1.146 924 N HN 0.251 nan 8.380 nan 0.000 0.516 925 G N 1.926 110.629 108.800 -0.162 0.000 2.352 925 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.283 925 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.283 925 G C -0.476 174.352 174.900 -0.121 0.000 0.946 925 G CA 0.266 45.297 45.100 -0.115 0.000 1.317 925 G HN 0.254 nan 8.290 nan 0.000 0.478 926 L N 1.790 122.933 121.223 -0.133 0.000 2.353 926 L HA 0.397 4.737 4.340 -0.000 0.000 0.270 926 L C 1.038 177.874 176.870 -0.058 0.000 1.003 926 L CA -0.669 54.105 54.840 -0.109 0.000 0.862 926 L CB 1.502 43.459 42.059 -0.170 0.000 1.221 926 L HN 0.485 nan 8.230 nan 0.000 0.430 927 S N 1.752 117.429 115.700 -0.038 0.000 2.580 927 S HA 0.075 4.545 4.470 -0.000 0.000 0.266 927 S C 1.133 175.724 174.600 -0.016 0.000 1.354 927 S CA -0.483 57.703 58.200 -0.024 0.000 1.008 927 S CB 0.969 64.157 63.200 -0.019 0.000 0.898 927 S HN 0.744 nan 8.310 nan 0.000 0.555 928 R N 0.344 120.833 120.500 -0.018 0.000 2.152 928 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 928 R C 2.065 178.351 176.300 -0.025 0.000 1.117 928 R CA 1.220 57.303 56.100 -0.028 0.000 0.981 928 R CB -0.836 29.439 30.300 -0.042 0.000 0.870 928 R HN 0.801 nan 8.270 nan 0.000 0.451 929 A N 0.965 123.778 122.820 -0.012 0.000 1.855 929 A HA -0.108 4.212 4.320 -0.000 0.000 0.213 929 A C 1.866 179.462 177.584 0.021 0.000 1.195 929 A CA 1.209 53.245 52.037 -0.000 0.000 0.610 929 A CB -0.359 18.641 19.000 -0.000 0.000 0.837 929 A HN 0.448 nan 8.150 nan 0.000 0.444 930 E N -0.066 120.143 120.200 0.015 0.000 2.085 930 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 930 E C 2.290 178.926 176.600 0.061 0.000 0.994 930 E CA 0.991 57.405 56.400 0.024 0.000 0.801 930 E CB -0.300 29.396 29.700 -0.006 0.000 0.743 930 E HN 0.603 nan 8.360 nan 0.000 0.453 931 A N 1.413 124.270 122.820 0.062 0.000 1.883 931 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 931 A C 1.945 179.697 177.584 0.279 0.000 1.186 931 A CA 1.754 53.885 52.037 0.158 0.000 0.624 931 A CB -0.421 18.658 19.000 0.130 0.000 0.822 931 A HN 0.189 nan 8.150 nan 0.000 0.444 932 E N -0.459 119.814 120.200 0.122 0.000 2.016 932 E HA 0.002 4.352 4.350 -0.000 0.000 0.190 932 E C 2.433 179.158 176.600 0.210 0.000 0.985 932 E CA 0.776 57.247 56.400 0.119 0.000 0.802 932 E CB -0.335 29.345 29.700 -0.033 0.000 0.762 932 E HN 0.565 nan 8.360 nan 0.000 0.448 933 A N 1.514 124.413 122.820 0.132 0.000 1.892 933 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 933 A C 1.962 179.633 177.584 0.145 0.000 1.188 933 A CA 1.620 53.727 52.037 0.117 0.000 0.631 933 A CB -0.569 18.474 19.000 0.073 0.000 0.822 933 A HN 0.200 nan 8.150 nan 0.000 0.447 934 Q N -0.602 119.295 119.800 0.162 0.000 2.415 934 Q HA 0.320 4.660 4.340 -0.000 0.000 0.206 934 Q C 1.877 178.047 176.000 0.283 0.000 0.946 934 Q CA 0.282 56.186 55.803 0.169 0.000 0.951 934 Q CB -0.185 28.623 28.738 0.116 0.000 1.026 934 Q HN 0.687 nan 8.270 nan 0.000 0.510 935 A N 1.688 124.744 122.820 0.393 0.000 1.972 935 A HA -0.251 4.068 4.320 -0.000 0.000 0.219 935 A C 1.924 179.696 177.584 0.313 0.000 1.169 935 A CA 1.586 53.957 52.037 0.556 0.000 0.635 935 A CB -0.306 19.054 19.000 0.600 0.000 0.810 935 A HN 0.482 nan 8.150 nan 0.000 0.446 936 E N -0.026 120.287 120.200 0.188 0.000 2.253 936 E HA -0.129 4.221 4.350 -0.000 0.000 0.202 936 E C 0.394 177.062 176.600 0.114 0.000 1.014 936 E CA 1.687 58.148 56.400 0.102 0.000 0.823 936 E CB -0.212 29.537 29.700 0.081 0.000 0.736 936 E HN 0.510 nan 8.360 nan 0.000 0.478 937 E N -0.783 119.527 120.200 0.183 0.000 2.846 937 E HA 0.488 4.838 4.350 -0.000 0.000 0.363 937 E C -1.857 174.857 176.600 0.190 0.000 0.933 937 E CA -0.082 56.421 56.400 0.172 0.000 0.766 937 E CB 0.043 29.802 29.700 0.098 0.000 1.404 937 E HN 0.205 nan 8.360 nan 0.000 0.408 938 L N 1.538 122.905 121.223 0.241 0.000 2.622 938 L HA 0.500 4.840 4.340 -0.000 0.000 0.258 938 L C -0.161 176.774 176.870 0.109 0.000 0.996 938 L CA -0.980 53.930 54.840 0.117 0.000 0.858 938 L CB 2.479 44.496 42.059 -0.069 0.000 1.449 938 L HN 0.292 nan 8.230 nan 0.000 0.411 939 S N 1.228 116.954 115.700 0.043 0.000 3.513 939 S HA 0.339 4.808 4.470 -0.000 0.000 0.209 939 S C -0.157 174.227 174.600 -0.361 0.000 1.446 939 S CA -0.433 57.741 58.200 -0.043 0.000 1.150 939 S CB -0.917 62.283 63.200 0.001 0.000 1.266 939 S HN 0.228 nan 8.310 nan 0.000 0.502 940 F N 2.523 122.218 119.950 -0.424 0.000 2.646 940 F HA 0.062 4.589 4.527 -0.000 0.000 0.363 940 F C -1.610 173.887 175.800 -0.505 0.000 1.143 940 F CA -1.541 56.037 58.000 -0.702 0.000 1.356 940 F CB -0.746 38.119 39.000 -0.225 0.000 1.055 940 F HN 0.200 nan 8.300 nan 0.000 0.606 941 P HA -0.076 nan 4.420 nan 0.000 0.264 941 P C 0.670 177.940 177.300 -0.049 0.000 1.173 941 P CA 0.235 63.246 63.100 -0.149 0.000 0.761 941 P CB 0.449 32.109 31.700 -0.066 0.000 0.794 942 R N 2.738 123.210 120.500 -0.046 0.000 2.117 942 R HA -0.193 4.147 4.340 -0.000 0.000 0.243 942 R C 2.019 178.296 176.300 -0.039 0.000 1.143 942 R CA 2.358 58.431 56.100 -0.045 0.000 0.968 942 R CB -0.525 29.752 30.300 -0.039 0.000 0.863 942 R HN 0.629 nan 8.270 nan 0.000 0.444 943 S N -0.758 114.940 115.700 -0.004 0.000 2.383 943 S HA -0.088 4.382 4.470 -0.000 0.000 0.227 943 S C 2.008 176.654 174.600 0.077 0.000 1.026 943 S CA 1.285 59.500 58.200 0.025 0.000 0.981 943 S CB -0.400 62.824 63.200 0.041 0.000 0.818 943 S HN 0.160 nan 8.310 nan 0.000 0.472 944 V N 2.601 122.568 119.914 0.088 0.000 2.453 944 V HA -0.120 4.000 4.120 -0.000 0.000 0.247 944 V C 2.830 179.018 176.094 0.157 0.000 1.048 944 V CA 1.441 63.845 62.300 0.172 0.000 1.049 944 V CB -0.664 31.265 31.823 0.177 0.000 0.672 944 V HN 0.644 nan 8.190 nan 0.000 0.457 945 V N -1.048 118.888 119.914 0.037 0.000 2.270 945 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 945 V C 2.122 178.180 176.094 -0.060 0.000 1.043 945 V CA 2.089 64.364 62.300 -0.042 0.000 1.014 945 V CB -1.089 30.693 31.823 -0.069 0.000 0.645 945 V HN 0.593 nan 8.190 nan 0.000 0.447 946 E N 0.337 120.467 120.200 -0.116 0.000 2.204 946 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 946 E C 1.902 178.543 176.600 0.068 0.000 0.990 946 E CA 1.547 57.790 56.400 -0.262 0.000 0.821 946 E CB -0.351 29.046 29.700 -0.505 0.000 0.750 946 E HN 0.765 nan 8.360 nan 0.000 0.477 947 F N 1.542 121.511 119.950 0.032 0.000 2.075 947 F HA -0.131 4.396 4.527 -0.000 0.000 0.297 947 F C 1.795 177.774 175.800 0.298 0.000 1.113 947 F CA 1.276 59.351 58.000 0.126 0.000 1.218 947 F CB -0.364 38.683 39.000 0.077 0.000 0.984 947 F HN -0.116 nan 8.300 nan 0.000 0.472 948 L N -0.029 121.034 121.223 -0.267 0.000 2.353 948 L HA -0.167 4.172 4.340 -0.000 0.000 0.220 948 L C 1.935 178.579 176.870 -0.376 0.000 1.133 948 L CA 1.060 55.705 54.840 -0.326 0.000 0.798 948 L CB -0.685 41.242 42.059 -0.219 0.000 0.922 948 L HN 0.295 nan 8.230 nan 0.000 0.445 949 Q N -0.531 119.190 119.800 -0.132 0.000 2.360 949 Q HA 0.120 4.460 4.340 -0.000 0.000 0.202 949 Q C 1.453 177.453 176.000 0.000 0.000 0.915 949 Q CA 0.505 56.280 55.803 -0.046 0.000 0.943 949 Q CB 0.554 29.449 28.738 0.261 0.000 1.064 949 Q HN 0.489 nan 8.270 nan 0.000 0.511 950 G N 0.036 108.870 108.800 0.056 0.000 2.155 950 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.257 950 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.257 950 G C 0.294 175.249 174.900 0.091 0.000 0.983 950 G CA 0.489 45.665 45.100 0.126 0.000 0.676 950 G HN 0.418 nan 8.290 nan 0.000 0.528 951 Y N 0.150 120.438 120.300 -0.021 0.000 2.348 951 Y HA -0.166 4.383 4.550 -0.000 0.000 0.285 951 Y C 2.791 178.672 175.900 -0.032 0.000 1.173 951 Y CA 1.905 59.988 58.100 -0.028 0.000 1.263 951 Y CB -0.359 38.092 38.460 -0.016 0.000 0.974 951 Y HN 0.737 nan 8.280 nan 0.000 0.547 952 I N -4.392 116.258 120.570 0.133 0.000 2.947 952 I HA 0.547 4.717 4.170 -0.000 0.000 0.263 952 I C 1.217 177.267 176.117 -0.111 0.000 1.130 952 I CA 0.762 62.087 61.300 0.042 0.000 1.448 952 I CB 0.020 38.078 38.000 0.096 0.000 1.222 952 I HN -0.021 nan 8.210 nan 0.000 0.453 953 G N 0.632 109.314 108.800 -0.197 0.000 2.321 953 G HA2 0.390 4.349 3.960 -0.000 0.000 0.296 953 G HA3 0.390 4.349 3.960 -0.000 0.000 0.296 953 G C -1.783 172.843 174.900 -0.456 0.000 1.287 953 G CA -0.385 44.281 45.100 -0.724 0.000 0.846 953 G HN -0.058 nan 8.290 nan 0.000 0.508 954 V N 2.836 122.358 119.914 -0.653 0.000 2.328 954 V HA 0.469 4.588 4.120 -0.000 0.000 0.278 954 V C -1.795 174.243 176.094 -0.093 0.000 1.021 954 V CA -1.257 60.960 62.300 -0.138 0.000 0.838 954 V CB 1.363 33.278 31.823 0.154 0.000 0.999 954 V HN 0.605 nan 8.190 nan 0.000 0.447 955 P HA -0.018 nan 4.420 nan 0.000 0.267 955 P C -0.142 177.179 177.300 0.034 0.000 1.205 955 P CA -0.039 63.006 63.100 -0.091 0.000 0.765 955 P CB 0.352 31.941 31.700 -0.185 0.000 0.828 956 H N 2.799 121.907 119.070 0.063 0.000 3.145 956 H HA 0.071 4.627 4.556 -0.000 0.000 0.288 956 H C 1.376 176.672 175.328 -0.053 0.000 0.969 956 H CA 2.045 58.127 56.048 0.057 0.000 1.444 956 H CB -0.516 29.315 29.762 0.115 0.000 1.500 956 H HN 0.843 nan 8.280 nan 0.000 0.552 957 G N 3.020 111.644 108.800 -0.294 0.000 2.184 957 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.206 957 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.206 957 G C 0.684 175.535 174.900 -0.081 0.000 0.995 957 G CA 0.381 45.360 45.100 -0.202 0.000 0.651 957 G HN 1.573 nan 8.290 nan 0.000 0.511 958 G N -1.121 107.651 108.800 -0.046 0.000 2.795 958 G HA2 0.204 4.164 3.960 -0.000 0.000 0.664 958 G HA3 0.204 4.164 3.960 -0.000 0.000 0.664 958 G C -0.168 174.749 174.900 0.028 0.000 1.381 958 G CA -0.149 44.980 45.100 0.047 0.000 0.853 958 G HN 1.193 nan 8.290 nan 0.000 0.545 959 F N 1.283 121.218 119.950 -0.025 0.000 2.406 959 F HA 0.468 4.994 4.527 -0.000 0.000 0.327 959 F C -0.755 175.057 175.800 0.021 0.000 1.153 959 F CA -1.285 56.701 58.000 -0.024 0.000 1.218 959 F CB 0.757 39.673 39.000 -0.140 0.000 1.215 959 F HN 0.260 nan 8.300 nan 0.000 0.570 960 P HA 0.030 nan 4.420 nan 0.000 0.241 960 P C 0.278 177.709 177.300 0.218 0.000 1.760 960 P CA 0.161 63.390 63.100 0.215 0.000 1.081 960 P CB 0.649 32.503 31.700 0.256 0.000 1.975 961 E N 4.178 124.461 120.200 0.139 0.000 2.086 961 E HA -0.183 4.167 4.350 -0.000 0.000 0.200 961 E C -0.600 176.036 176.600 0.060 0.000 1.012 961 E CA 2.045 58.485 56.400 0.068 0.000 0.812 961 E CB -1.644 28.075 29.700 0.032 0.000 0.743 961 E HN 0.351 nan 8.360 nan 0.000 0.453 962 P HA -0.180 nan 4.420 nan 0.000 0.219 962 P C 1.283 178.661 177.300 0.130 0.000 1.144 962 P CA 1.259 64.409 63.100 0.083 0.000 0.806 962 P CB -0.122 31.627 31.700 0.081 0.000 0.771 963 F N 0.664 120.606 119.950 -0.014 0.000 2.387 963 F HA 0.238 4.765 4.527 -0.000 0.000 0.278 963 F C 2.702 178.462 175.800 -0.067 0.000 1.010 963 F CA 0.173 58.153 58.000 -0.033 0.000 1.236 963 F CB -0.799 38.188 39.000 -0.022 0.000 1.137 963 F HN -0.393 nan 8.300 nan 0.000 0.604 964 R N 0.764 121.131 120.500 -0.223 0.000 2.227 964 R HA -0.298 4.042 4.340 -0.000 0.000 0.259 964 R C 2.164 178.230 176.300 -0.390 0.000 1.139 964 R CA 2.948 58.833 56.100 -0.359 0.000 0.969 964 R CB -0.922 29.305 30.300 -0.122 0.000 0.903 964 R HN 0.581 nan 8.270 nan 0.000 0.452 965 S N 0.290 115.841 115.700 -0.248 0.000 2.338 965 S HA -0.100 4.370 4.470 -0.000 0.000 0.218 965 S C 1.739 176.215 174.600 -0.206 0.000 1.032 965 S CA 1.187 59.266 58.200 -0.202 0.000 0.999 965 S CB -0.347 62.777 63.200 -0.126 0.000 0.905 965 S HN 0.397 nan 8.310 nan 0.000 0.439 966 K N 0.801 121.093 120.400 -0.180 0.000 2.442 966 K HA -0.040 4.279 4.320 -0.000 0.000 0.200 966 K C 1.713 178.193 176.600 -0.199 0.000 1.045 966 K CA 1.097 57.306 56.287 -0.131 0.000 0.937 966 K CB -0.435 32.034 32.500 -0.051 0.000 0.757 966 K HN 0.351 nan 8.250 nan 0.000 0.474 967 V N 0.438 120.123 119.914 -0.381 0.000 2.490 967 V HA -0.116 4.004 4.120 -0.000 0.000 0.238 967 V C 2.034 177.966 176.094 -0.270 0.000 1.056 967 V CA 0.821 62.854 62.300 -0.445 0.000 1.075 967 V CB -0.336 30.959 31.823 -0.881 0.000 0.746 967 V HN 0.163 nan 8.190 nan 0.000 0.479 968 L N -0.453 120.606 121.223 -0.272 0.000 2.017 968 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 968 L C 1.634 178.427 176.870 -0.129 0.000 1.073 968 L CA 1.508 56.233 54.840 -0.191 0.000 0.745 968 L CB -0.699 41.233 42.059 -0.211 0.000 0.894 968 L HN 0.366 nan 8.230 nan 0.000 0.432 969 K N -0.790 119.538 120.400 -0.120 0.000 1.844 969 K HA -0.275 4.045 4.320 -0.000 0.000 0.160 969 K C 0.093 176.650 176.600 -0.071 0.000 1.448 969 K CA 1.596 57.835 56.287 -0.080 0.000 0.446 969 K CB -1.138 31.327 32.500 -0.057 0.000 0.635 969 K HN 0.066 nan 8.250 nan 0.000 0.848 970 D N 1.934 122.303 120.400 -0.051 0.000 2.977 970 D HA 0.236 4.875 4.640 -0.000 0.000 0.241 970 D C -0.566 175.708 176.300 -0.042 0.000 1.206 970 D CA 0.631 54.605 54.000 -0.043 0.000 0.902 970 D CB -0.593 40.189 40.800 -0.030 0.000 1.131 970 D HN 0.124 nan 8.370 nan 0.000 0.447 971 L N 0.569 121.759 121.223 -0.056 0.000 2.346 971 L HA 0.410 4.750 4.340 -0.000 0.000 0.274 971 L C -2.099 174.741 176.870 -0.051 0.000 1.007 971 L CA -2.157 52.655 54.840 -0.047 0.000 0.818 971 L CB 1.893 43.919 42.059 -0.055 0.000 1.284 971 L HN -0.225 nan 8.230 nan 0.000 0.424 972 P HA 0.090 nan 4.420 nan 0.000 0.261 972 P C -1.088 176.186 177.300 -0.044 0.000 1.203 972 P CA 0.087 63.169 63.100 -0.030 0.000 0.767 972 P CB 0.215 31.914 31.700 -0.000 0.000 0.785 973 R N 2.622 123.062 120.500 -0.100 0.000 2.229 973 R HA 0.330 4.670 4.340 -0.000 0.000 0.328 973 R C -0.386 175.814 176.300 -0.167 0.000 1.009 973 R CA -1.031 54.977 56.100 -0.154 0.000 0.864 973 R CB 0.809 30.984 30.300 -0.209 0.000 1.085 973 R HN 0.230 nan 8.270 nan 0.000 0.453 974 V N 3.594 123.383 119.914 -0.208 0.000 2.599 974 V HA -0.067 4.053 4.120 -0.000 0.000 0.300 974 V C 0.476 176.471 176.094 -0.164 0.000 1.034 974 V CA 0.639 62.795 62.300 -0.240 0.000 1.115 974 V CB 0.477 32.081 31.823 -0.365 0.000 0.934 974 V HN 0.729 nan 8.190 nan 0.000 0.485 975 E N 3.744 123.871 120.200 -0.122 0.000 2.141 975 E HA 0.604 4.953 4.350 -0.000 0.000 0.259 975 E C 0.404 176.984 176.600 -0.033 0.000 0.883 975 E CA 0.219 56.577 56.400 -0.071 0.000 0.744 975 E CB 1.536 31.197 29.700 -0.065 0.000 1.150 975 E HN 1.060 nan 8.360 nan 0.000 0.420 976 G N 2.456 111.266 108.800 0.016 0.000 2.631 976 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.504 976 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.504 976 G C -0.617 174.348 174.900 0.109 0.000 1.306 976 G CA -1.027 44.113 45.100 0.067 0.000 0.897 976 G HN 0.553 nan 8.290 nan 0.000 0.520 977 R N 1.056 121.647 120.500 0.151 0.000 2.446 977 R HA 0.245 4.585 4.340 -0.000 0.000 0.314 977 R C -1.040 175.296 176.300 0.061 0.000 1.003 977 R CA -0.495 55.719 56.100 0.191 0.000 1.018 977 R CB 0.323 30.708 30.300 0.142 0.000 0.945 977 R HN 0.255 nan 8.270 nan 0.000 0.419 978 P HA -0.185 nan 4.420 nan 0.000 0.216 978 P C 0.974 178.240 177.300 -0.056 0.000 1.154 978 P CA 1.752 64.803 63.100 -0.082 0.000 0.865 978 P CB 0.088 31.712 31.700 -0.125 0.000 0.789 979 G N -0.488 108.303 108.800 -0.014 0.000 2.462 979 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 979 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 979 G C 1.569 176.477 174.900 0.013 0.000 1.121 979 G CA 0.924 46.024 45.100 0.000 0.000 0.758 979 G HN 0.353 nan 8.290 nan 0.000 0.559 980 A N 1.675 124.505 122.820 0.016 0.000 1.841 980 A HA -0.089 4.230 4.320 -0.000 0.000 0.216 980 A C 2.689 180.270 177.584 -0.005 0.000 1.199 980 A CA 2.771 54.816 52.037 0.013 0.000 0.621 980 A CB -1.136 17.872 19.000 0.014 0.000 0.835 980 A HN 0.888 nan 8.150 nan 0.000 0.445 981 S N -0.487 115.200 115.700 -0.023 0.000 2.571 981 S HA 0.066 4.536 4.470 -0.000 0.000 0.245 981 S C 0.457 175.040 174.600 -0.029 0.000 0.976 981 S CA 0.328 58.508 58.200 -0.033 0.000 0.954 981 S CB -0.864 62.302 63.200 -0.056 0.000 0.756 981 S HN 0.348 nan 8.310 nan 0.000 0.535 982 L N 2.174 123.386 121.223 -0.019 0.000 2.265 982 L HA 0.439 4.778 4.340 -0.000 0.000 0.288 982 L C -2.484 174.389 176.870 0.005 0.000 1.058 982 L CA -2.332 52.502 54.840 -0.010 0.000 0.809 982 L CB 0.746 42.801 42.059 -0.007 0.000 1.179 982 L HN -0.039 nan 8.230 nan 0.000 0.429 983 P HA 0.179 nan 4.420 nan 0.000 0.271 983 P C -2.269 175.043 177.300 0.019 0.000 1.218 983 P CA -0.821 62.284 63.100 0.009 0.000 0.780 983 P CB 0.084 31.789 31.700 0.007 0.000 0.901 984 P HA -0.020 nan 4.420 nan 0.000 0.277 984 P C -0.810 176.510 177.300 0.033 0.000 1.269 984 P CA 0.281 63.397 63.100 0.027 0.000 0.840 984 P CB 0.254 31.962 31.700 0.014 0.000 1.156 985 L N 0.727 121.972 121.223 0.037 0.000 2.415 985 L HA 0.273 4.613 4.340 -0.000 0.000 0.268 985 L C -0.693 176.194 176.870 0.029 0.000 0.984 985 L CA -0.548 54.315 54.840 0.037 0.000 0.853 985 L CB 0.866 42.951 42.059 0.044 0.000 1.215 985 L HN 0.144 nan 8.230 nan 0.000 0.419 986 D N 4.168 124.583 120.400 0.026 0.000 2.402 986 D HA -0.005 4.635 4.640 -0.000 0.000 0.268 986 D C 1.190 177.504 176.300 0.022 0.000 1.294 986 D CA 0.430 54.442 54.000 0.021 0.000 0.945 986 D CB 0.733 41.545 40.800 0.020 0.000 1.112 986 D HN 0.558 nan 8.370 nan 0.000 0.517 987 L N 2.917 124.151 121.223 0.019 0.000 2.141 987 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 987 L C 2.025 178.904 176.870 0.016 0.000 1.094 987 L CA 0.692 55.542 54.840 0.016 0.000 0.763 987 L CB -0.261 41.806 42.059 0.013 0.000 0.908 987 L HN 0.325 nan 8.230 nan 0.000 0.437 988 Q N 0.297 120.106 119.800 0.015 0.000 2.096 988 Q HA -0.016 4.323 4.340 -0.000 0.000 0.197 988 Q C 2.468 178.481 176.000 0.021 0.000 0.964 988 Q CA 1.545 57.357 55.803 0.015 0.000 0.838 988 Q CB -0.780 27.965 28.738 0.012 0.000 0.906 988 Q HN 0.415 nan 8.270 nan 0.000 0.444 989 A N 0.812 123.645 122.820 0.022 0.000 1.892 989 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 989 A C 2.051 179.655 177.584 0.034 0.000 1.188 989 A CA 1.777 53.829 52.037 0.026 0.000 0.631 989 A CB -0.786 18.230 19.000 0.026 0.000 0.822 989 A HN 0.361 nan 8.150 nan 0.000 0.447 990 L N -0.243 121.001 121.223 0.035 0.000 2.109 990 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 990 L C 2.209 179.107 176.870 0.048 0.000 1.086 990 L CA 2.543 57.409 54.840 0.044 0.000 0.760 990 L CB -0.607 41.473 42.059 0.036 0.000 0.910 990 L HN 0.605 nan 8.230 nan 0.000 0.437 991 E N -0.222 119.999 120.200 0.035 0.000 2.017 991 E HA -0.306 4.044 4.350 -0.000 0.000 0.193 991 E C 2.232 178.860 176.600 0.046 0.000 0.997 991 E CA 1.551 57.973 56.400 0.036 0.000 0.804 991 E CB -0.227 29.486 29.700 0.021 0.000 0.757 991 E HN 0.464 nan 8.360 nan 0.000 0.448 992 K N 0.542 120.964 120.400 0.036 0.000 2.209 992 K HA -0.210 4.110 4.320 -0.000 0.000 0.204 992 K C 2.025 178.650 176.600 0.041 0.000 1.048 992 K CA 1.429 57.737 56.287 0.035 0.000 0.940 992 K CB -0.041 32.474 32.500 0.025 0.000 0.729 992 K HN 0.146 nan 8.250 nan 0.000 0.451 993 E N 0.321 120.548 120.200 0.046 0.000 2.204 993 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 993 E C 1.784 178.424 176.600 0.066 0.000 0.990 993 E CA 0.788 57.218 56.400 0.050 0.000 0.821 993 E CB 0.148 29.881 29.700 0.056 0.000 0.750 993 E HN 0.335 nan 8.360 nan 0.000 0.477 994 L N -0.826 120.457 121.223 0.099 0.000 2.200 994 L HA -0.032 4.308 4.340 -0.000 0.000 0.200 994 L C 2.334 179.285 176.870 0.134 0.000 1.072 994 L CA 0.171 55.112 54.840 0.168 0.000 0.787 994 L CB -0.264 41.937 42.059 0.238 0.000 0.957 994 L HN 0.028 nan 8.230 nan 0.000 0.459 995 V N 1.070 121.044 119.914 0.100 0.000 2.231 995 V HA -0.360 3.760 4.120 -0.000 0.000 0.248 995 V C 2.492 178.615 176.094 0.047 0.000 1.054 995 V CA 2.294 64.640 62.300 0.076 0.000 1.015 995 V CB -0.858 30.996 31.823 0.052 0.000 0.638 995 V HN 0.670 nan 8.190 nan 0.000 0.444 996 D N 0.312 120.731 120.400 0.031 0.000 2.191 996 D HA -0.292 4.348 4.640 -0.000 0.000 0.195 996 D C 2.077 178.368 176.300 -0.015 0.000 1.003 996 D CA 2.278 56.284 54.000 0.010 0.000 0.867 996 D CB -0.064 40.741 40.800 0.009 0.000 0.926 996 D HN 0.525 nan 8.370 nan 0.000 0.450 997 R N -0.579 119.898 120.500 -0.038 0.000 1.855 997 R HA -0.033 4.307 4.340 -0.000 0.000 0.168 997 R C 2.576 178.799 176.300 -0.128 0.000 1.791 997 R CA 0.190 56.209 56.100 -0.136 0.000 1.428 997 R CB -0.574 29.557 30.300 -0.281 0.000 1.037 997 R HN 0.161 nan 8.270 nan 0.000 0.483 998 H N 0.026 119.121 119.070 0.041 0.000 2.496 998 H HA -0.023 4.533 4.556 -0.000 0.000 0.296 998 H C 0.832 176.170 175.328 0.017 0.000 1.107 998 H CA 1.420 57.481 56.048 0.021 0.000 1.263 998 H CB -0.216 29.570 29.762 0.040 0.000 1.369 998 H HN 0.581 nan 8.280 nan 0.000 0.541 999 G N -0.272 108.595 108.800 0.112 0.000 2.359 999 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.314 999 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.314 999 G C -0.322 174.619 174.900 0.068 0.000 1.364 999 G CA -0.440 44.705 45.100 0.074 0.000 0.978 999 G HN 0.087 nan 8.290 nan 0.000 0.615 1000 E N 0.045 120.274 120.200 0.048 0.000 2.445 1000 E HA 0.089 4.439 4.350 -0.000 0.000 0.189 1000 E C 1.219 177.845 176.600 0.043 0.000 1.069 1000 E CA 0.341 56.765 56.400 0.040 0.000 0.871 1000 E CB 0.501 30.218 29.700 0.027 0.000 0.991 1000 E HN 0.556 nan 8.360 nan 0.000 0.481 1001 E N 0.724 120.958 120.200 0.057 0.000 2.079 1001 E HA -0.013 4.336 4.350 -0.000 0.000 0.191 1001 E C 1.203 177.845 176.600 0.070 0.000 0.961 1001 E CA 0.409 56.844 56.400 0.058 0.000 0.823 1001 E CB -0.660 29.076 29.700 0.060 0.000 0.789 1001 E HN 0.173 nan 8.360 nan 0.000 0.459 1002 V N 2.702 122.678 119.914 0.104 0.000 3.050 1002 V HA -0.117 4.003 4.120 -0.000 0.000 0.283 1002 V C 0.300 176.432 176.094 0.063 0.000 1.384 1002 V CA 0.724 63.098 62.300 0.124 0.000 1.419 1002 V CB -1.365 30.549 31.823 0.151 0.000 0.820 1002 V HN 0.301 nan 8.190 nan 0.000 0.463 1003 T N 2.157 116.734 114.554 0.038 0.000 2.952 1003 T HA 0.658 5.008 4.350 -0.000 0.000 0.286 1003 T C -1.596 173.046 174.700 -0.097 0.000 1.024 1003 T CA -1.637 60.445 62.100 -0.031 0.000 1.029 1003 T CB 1.798 70.636 68.868 -0.050 0.000 1.094 1003 T HN 0.426 nan 8.240 nan 0.000 0.515 1004 P HA -0.150 nan 4.420 nan 0.000 0.216 1004 P C 1.217 178.339 177.300 -0.297 0.000 1.154 1004 P CA 1.290 64.288 63.100 -0.169 0.000 0.865 1004 P CB 0.048 31.647 31.700 -0.168 0.000 0.789 1005 E N -0.326 119.569 120.200 -0.509 0.000 2.013 1005 E HA -0.214 4.136 4.350 -0.000 0.000 0.202 1005 E C 1.855 178.152 176.600 -0.505 0.000 1.018 1005 E CA 1.589 57.365 56.400 -1.039 0.000 0.834 1005 E CB -1.278 27.643 29.700 -1.298 0.000 0.770 1005 E HN 0.272 nan 8.360 nan 0.000 0.459 1006 D N 0.042 120.310 120.400 -0.220 0.000 2.170 1006 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 1006 D C 2.054 178.164 176.300 -0.317 0.000 1.004 1006 D CA 1.556 55.506 54.000 -0.083 0.000 0.860 1006 D CB -0.495 40.414 40.800 0.182 0.000 0.931 1006 D HN 0.058 nan 8.370 nan 0.000 0.448 1007 V N 1.222 121.035 119.914 -0.167 0.000 2.252 1007 V HA -0.273 3.847 4.120 -0.000 0.000 0.249 1007 V C 2.781 178.811 176.094 -0.107 0.000 1.056 1007 V CA 1.493 63.720 62.300 -0.123 0.000 1.022 1007 V CB -0.778 31.008 31.823 -0.062 0.000 0.641 1007 V HN 0.175 nan 8.190 nan 0.000 0.445 1008 L N 0.001 121.210 121.223 -0.023 0.000 2.012 1008 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 1008 L C 2.692 179.709 176.870 0.245 0.000 1.073 1008 L CA 1.870 56.801 54.840 0.152 0.000 0.748 1008 L CB -0.758 41.507 42.059 0.344 0.000 0.891 1008 L HN 0.298 nan 8.230 nan 0.000 0.431 1009 S N -0.010 115.892 115.700 0.336 0.000 2.354 1009 S HA -0.260 4.210 4.470 -0.000 0.000 0.219 1009 S C 2.234 176.825 174.600 -0.014 0.000 1.035 1009 S CA 1.388 59.822 58.200 0.389 0.000 1.037 1009 S CB -0.579 62.740 63.200 0.198 0.000 0.956 1009 S HN 0.509 nan 8.310 nan 0.000 0.428 1010 A N 1.855 124.279 122.820 -0.660 0.000 1.927 1010 A HA -0.098 4.222 4.320 -0.000 0.000 0.220 1010 A C 2.336 179.905 177.584 -0.025 0.000 1.185 1010 A CA 2.159 53.979 52.037 -0.361 0.000 0.639 1010 A CB -1.361 17.419 19.000 -0.365 0.000 0.820 1010 A HN 0.558 nan 8.150 nan 0.000 0.451 1011 A N -0.257 122.524 122.820 -0.064 0.000 1.842 1011 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 1011 A C 2.302 179.784 177.584 -0.170 0.000 1.206 1011 A CA 2.251 54.241 52.037 -0.078 0.000 0.630 1011 A CB -0.753 18.183 19.000 -0.106 0.000 0.839 1011 A HN 0.554 nan 8.150 nan 0.000 0.447 1012 M N -2.483 116.938 119.600 -0.297 0.000 2.108 1012 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 1012 M C 0.091 176.116 176.300 -0.459 0.000 1.066 1012 M CA 1.411 56.348 55.300 -0.605 0.000 1.107 1012 M CB -0.351 31.993 32.600 -0.427 0.000 1.356 1012 M HN 0.450 nan 8.290 nan 0.000 0.406 1013 Y N -1.304 119.152 120.300 0.260 0.000 2.747 1013 Y HA 0.280 4.830 4.550 -0.000 0.000 0.362 1013 Y C -1.899 174.169 175.900 0.280 0.000 1.026 1013 Y CA -2.241 56.056 58.100 0.329 0.000 1.135 1013 Y CB -0.101 38.520 38.460 0.269 0.000 1.175 1013 Y HN -0.001 nan 8.280 nan 0.000 0.643 1014 P HA -0.219 nan 4.420 nan 0.000 0.208 1014 P C 1.107 178.540 177.300 0.221 0.000 1.180 1014 P CA 1.963 65.214 63.100 0.251 0.000 0.935 1014 P CB 0.525 32.349 31.700 0.208 0.000 0.785 1015 D N -0.769 119.715 120.400 0.140 0.000 2.081 1015 D HA -0.118 4.522 4.640 -0.000 0.000 0.194 1015 D C 2.130 178.178 176.300 -0.421 0.000 0.986 1015 D CA 1.265 55.195 54.000 -0.117 0.000 0.837 1015 D CB -1.117 39.787 40.800 0.173 0.000 0.985 1015 D HN -0.118 nan 8.370 nan 0.000 0.448 1016 V N 1.434 121.376 119.914 0.046 0.000 2.311 1016 V HA -0.301 3.819 4.120 -0.000 0.000 0.256 1016 V C 2.273 178.449 176.094 0.137 0.000 1.077 1016 V CA 1.845 64.235 62.300 0.150 0.000 1.067 1016 V CB -0.722 31.182 31.823 0.135 0.000 0.659 1016 V HN 0.103 nan 8.190 nan 0.000 0.451 1017 F N 1.307 121.313 119.950 0.094 0.000 2.075 1017 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 1017 F C 2.313 178.180 175.800 0.112 0.000 1.113 1017 F CA 1.367 59.479 58.000 0.186 0.000 1.218 1017 F CB -0.839 38.284 39.000 0.206 0.000 0.984 1017 F HN 0.067 nan 8.300 nan 0.000 0.472 1018 A N 0.530 123.296 122.820 -0.089 0.000 1.869 1018 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 1018 A C 2.206 179.693 177.584 -0.161 0.000 1.203 1018 A CA 2.244 54.188 52.037 -0.155 0.000 0.638 1018 A CB -1.515 17.455 19.000 -0.049 0.000 0.831 1018 A HN 0.660 nan 8.150 nan 0.000 0.450 1019 H N -1.495 117.626 119.070 0.085 0.000 2.290 1019 H HA -0.155 4.400 4.556 -0.000 0.000 0.298 1019 H C 1.991 177.379 175.328 0.101 0.000 1.087 1019 H CA 1.656 57.771 56.048 0.112 0.000 1.291 1019 H CB -1.275 28.568 29.762 0.134 0.000 1.369 1019 H HN 0.617 nan 8.280 nan 0.000 0.492 1020 F N 2.401 122.391 119.950 0.066 0.000 2.147 1020 F HA -0.244 4.282 4.527 -0.000 0.000 0.301 1020 F C 2.264 178.035 175.800 -0.049 0.000 1.084 1020 F CA 1.743 59.767 58.000 0.041 0.000 1.268 1020 F CB -0.170 38.779 39.000 -0.086 0.000 1.009 1020 F HN -0.076 nan 8.300 nan 0.000 0.486 1021 K N 0.797 120.733 120.400 -0.773 0.000 2.031 1021 K HA -0.113 4.206 4.320 -0.000 0.000 0.205 1021 K C 1.857 178.202 176.600 -0.426 0.000 1.049 1021 K CA 1.803 57.539 56.287 -0.917 0.000 0.939 1021 K CB -0.605 31.113 32.500 -1.304 0.000 0.717 1021 K HN 0.285 nan 8.250 nan 0.000 0.438 1022 D N -0.387 119.913 120.400 -0.167 0.000 2.149 1022 D HA -0.185 4.455 4.640 -0.000 0.000 0.198 1022 D C 1.812 178.078 176.300 -0.058 0.000 0.990 1022 D CA 0.944 54.927 54.000 -0.027 0.000 0.839 1022 D CB -0.232 40.618 40.800 0.084 0.000 0.948 1022 D HN 0.120 nan 8.370 nan 0.000 0.460 1023 F N 1.911 121.779 119.950 -0.138 0.000 2.031 1023 F HA -0.249 4.278 4.527 -0.000 0.000 0.295 1023 F C 2.778 178.508 175.800 -0.117 0.000 1.133 1023 F CA 2.311 60.254 58.000 -0.094 0.000 1.188 1023 F CB -0.748 38.246 39.000 -0.010 0.000 0.974 1023 F HN -0.012 nan 8.300 nan 0.000 0.473 1024 T N -1.061 113.524 114.554 0.051 0.000 2.759 1024 T HA -0.218 4.131 4.350 -0.000 0.000 0.269 1024 T C 2.101 176.721 174.700 -0.133 0.000 1.042 1024 T CA 1.201 63.277 62.100 -0.040 0.000 1.140 1024 T CB -1.222 67.520 68.868 -0.211 0.000 0.864 1024 T HN 0.323 nan 8.240 nan 0.000 0.455 1025 A N 2.243 124.947 122.820 -0.193 0.000 1.884 1025 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 1025 A C 2.790 180.240 177.584 -0.224 0.000 1.197 1025 A CA 3.142 55.073 52.037 -0.178 0.000 0.637 1025 A CB -1.643 17.267 19.000 -0.148 0.000 0.827 1025 A HN 0.805 nan 8.150 nan 0.000 0.450 1026 T N -4.796 109.528 114.554 -0.384 0.000 3.067 1026 T HA 0.192 4.542 4.350 -0.000 0.000 0.257 1026 T C 1.143 175.452 174.700 -0.652 0.000 1.105 1026 T CA 0.816 62.564 62.100 -0.588 0.000 1.104 1026 T CB -0.354 67.989 68.868 -0.874 0.000 0.925 1026 T HN 0.350 nan 8.240 nan 0.000 0.498 1027 F N 1.477 121.255 119.950 -0.287 0.000 2.661 1027 F HA 0.479 5.005 4.527 -0.000 0.000 0.306 1027 F C 1.774 177.488 175.800 -0.143 0.000 1.094 1027 F CA -0.275 57.584 58.000 -0.234 0.000 1.254 1027 F CB 0.477 39.266 39.000 -0.352 0.000 1.040 1027 F HN 0.524 nan 8.300 nan 0.000 0.562 1028 G N 2.157 110.978 108.800 0.035 0.000 2.645 1028 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.239 1028 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.239 1028 G C -2.492 172.433 174.900 0.041 0.000 1.331 1028 G CA -0.684 44.434 45.100 0.029 0.000 0.890 1028 G HN 0.047 nan 8.290 nan 0.000 0.572 1029 P HA 0.251 nan 4.420 nan 0.000 0.230 1029 P C 1.306 178.644 177.300 0.065 0.000 1.791 1029 P CA -0.232 62.911 63.100 0.072 0.000 1.020 1029 P CB -0.589 31.154 31.700 0.071 0.000 1.977 1030 L N 0.961 122.218 121.223 0.058 0.000 2.642 1030 L HA -0.122 4.217 4.340 -0.000 0.000 0.236 1030 L C 1.730 178.673 176.870 0.123 0.000 1.169 1030 L CA 0.966 55.818 54.840 0.021 0.000 0.851 1030 L CB -0.746 41.322 42.059 0.015 0.000 0.968 1030 L HN 0.257 nan 8.230 nan 0.000 0.453 1031 D N -1.621 118.847 120.400 0.113 0.000 2.360 1031 D HA -0.082 4.558 4.640 -0.000 0.000 0.210 1031 D C 1.646 178.004 176.300 0.098 0.000 1.047 1031 D CA 0.856 54.902 54.000 0.076 0.000 0.854 1031 D CB 0.081 40.946 40.800 0.109 0.000 0.936 1031 D HN 0.299 nan 8.370 nan 0.000 0.514 1032 S N -0.187 115.581 115.700 0.112 0.000 2.556 1032 S HA 0.190 4.659 4.470 -0.000 0.000 0.216 1032 S C 0.901 175.606 174.600 0.176 0.000 0.970 1032 S CA -0.606 57.687 58.200 0.154 0.000 0.912 1032 S CB -0.333 62.935 63.200 0.113 0.000 0.790 1032 S HN 0.128 nan 8.310 nan 0.000 0.504 1033 L N 3.507 124.786 121.223 0.093 0.000 2.349 1033 L HA 0.354 4.694 4.340 -0.000 0.000 0.275 1033 L C 0.225 176.969 176.870 -0.211 0.000 1.115 1033 L CA -0.756 54.098 54.840 0.023 0.000 0.820 1033 L CB 0.344 42.460 42.059 0.095 0.000 1.135 1033 L HN 0.316 nan 8.230 nan 0.000 0.445 1034 N N 0.423 118.889 118.700 -0.389 0.000 2.492 1034 N HA -0.004 4.736 4.740 -0.000 0.000 0.260 1034 N C 0.735 176.020 175.510 -0.375 0.000 1.215 1034 N CA -0.188 52.363 53.050 -0.832 0.000 0.923 1034 N CB 0.658 38.863 38.487 -0.471 0.000 1.092 1034 N HN 0.531 nan 8.380 nan 0.000 0.448 1035 T N 0.736 115.065 114.554 -0.374 0.000 2.714 1035 T HA -0.304 4.046 4.350 -0.000 0.000 0.268 1035 T C 1.557 176.196 174.700 -0.102 0.000 1.036 1035 T CA 1.799 63.771 62.100 -0.212 0.000 1.148 1035 T CB -0.326 68.321 68.868 -0.368 0.000 0.856 1035 T HN 0.647 nan 8.240 nan 0.000 0.462 1036 R N 0.460 120.872 120.500 -0.147 0.000 2.070 1036 R HA 0.001 4.341 4.340 -0.000 0.000 0.232 1036 R C 2.448 178.702 176.300 -0.078 0.000 1.138 1036 R CA 1.306 57.340 56.100 -0.111 0.000 0.936 1036 R CB -0.438 29.788 30.300 -0.122 0.000 0.839 1036 R HN 0.366 nan 8.270 nan 0.000 0.429 1037 L N 0.116 121.273 121.223 -0.110 0.000 2.131 1037 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 1037 L C 2.359 179.245 176.870 0.026 0.000 1.092 1037 L CA 1.037 55.803 54.840 -0.124 0.000 0.759 1037 L CB -0.455 41.472 42.059 -0.221 0.000 0.903 1037 L HN 0.259 nan 8.230 nan 0.000 0.435 1038 F N 0.613 120.541 119.950 -0.037 0.000 2.075 1038 F HA -0.217 4.310 4.527 -0.000 0.000 0.297 1038 F C 2.119 177.993 175.800 0.124 0.000 1.113 1038 F CA 1.621 59.670 58.000 0.081 0.000 1.218 1038 F CB -0.038 38.962 39.000 0.000 0.000 0.984 1038 F HN -0.146 nan 8.300 nan 0.000 0.472 1039 L N -0.417 120.889 121.223 0.137 0.000 2.022 1039 L HA -0.135 4.205 4.340 -0.000 0.000 0.204 1039 L C 2.492 179.340 176.870 -0.036 0.000 1.076 1039 L CA 1.611 56.490 54.840 0.064 0.000 0.749 1039 L CB -0.929 41.199 42.059 0.115 0.000 0.903 1039 L HN 0.140 nan 8.230 nan 0.000 0.439 1040 Q N 0.070 119.845 119.800 -0.043 0.000 2.432 1040 Q HA 0.119 4.459 4.340 -0.000 0.000 0.205 1040 Q C 0.639 176.586 176.000 -0.088 0.000 0.945 1040 Q CA 0.522 56.285 55.803 -0.066 0.000 0.924 1040 Q CB 0.390 29.089 28.738 -0.064 0.000 1.016 1040 Q HN 0.481 nan 8.270 nan 0.000 0.503 1041 G N 1.655 110.395 108.800 -0.101 0.000 2.860 1041 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.553 1041 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.553 1041 G C -2.752 172.072 174.900 -0.127 0.000 1.439 1041 G CA -0.331 44.700 45.100 -0.116 0.000 0.879 1041 G HN 0.259 nan 8.290 nan 0.000 0.545 1042 P HA 0.374 nan 4.420 nan 0.000 0.276 1042 P C -0.849 176.446 177.300 -0.008 0.000 1.244 1042 P CA -0.215 62.806 63.100 -0.133 0.000 0.801 1042 P CB 1.056 32.754 31.700 -0.004 0.000 1.006 1043 K N 2.050 122.464 120.400 0.024 0.000 2.240 1043 K HA 0.326 4.645 4.320 -0.000 0.000 0.271 1043 K C -0.056 176.592 176.600 0.079 0.000 1.018 1043 K CA -1.042 55.267 56.287 0.037 0.000 0.874 1043 K CB 0.368 32.880 32.500 0.021 0.000 1.098 1043 K HN 0.360 nan 8.250 nan 0.000 0.458 1044 I N 2.414 123.004 120.570 0.032 0.000 3.045 1044 I HA -0.227 3.943 4.170 -0.000 0.000 0.306 1044 I C 1.291 177.424 176.117 0.026 0.000 1.232 1044 I CA 0.918 62.223 61.300 0.009 0.000 1.415 1044 I CB -0.703 37.279 38.000 -0.030 0.000 1.364 1044 I HN 0.827 nan 8.210 nan 0.000 0.538 1045 A N 3.619 126.462 122.820 0.039 0.000 3.614 1045 A HA -0.228 4.092 4.320 -0.000 0.000 0.246 1045 A C 0.714 178.342 177.584 0.073 0.000 1.044 1045 A CA 0.398 52.458 52.037 0.038 0.000 1.548 1045 A CB -2.064 16.946 19.000 0.017 0.000 0.974 1045 A HN 0.679 nan 8.150 nan 0.000 0.844 1046 E N 0.629 120.903 120.200 0.124 0.000 2.180 1046 E HA 0.394 4.744 4.350 -0.000 0.000 0.283 1046 E C 0.065 176.815 176.600 0.249 0.000 1.061 1046 E CA -0.174 56.324 56.400 0.164 0.000 0.861 1046 E CB 0.470 30.268 29.700 0.164 0.000 1.056 1046 E HN 0.460 nan 8.360 nan 0.000 0.407 1047 E N 3.656 123.953 120.200 0.162 0.000 2.373 1047 E HA 0.234 4.584 4.350 -0.000 0.000 0.267 1047 E C -1.070 175.679 176.600 0.248 0.000 1.032 1047 E CA 0.001 56.470 56.400 0.116 0.000 0.889 1047 E CB 0.345 30.091 29.700 0.077 0.000 0.984 1047 E HN 0.347 nan 8.360 nan 0.000 0.425 1048 F N 0.631 120.633 119.950 0.086 0.000 2.741 1048 F HA 0.577 5.104 4.527 -0.000 0.000 0.313 1048 F C -1.484 174.340 175.800 0.040 0.000 1.153 1048 F CA -1.071 56.966 58.000 0.062 0.000 0.931 1048 F CB 0.976 40.009 39.000 0.055 0.000 1.335 1048 F HN 0.472 nan 8.300 nan 0.000 0.460 1049 E N 0.661 121.043 120.200 0.303 0.000 2.408 1049 E HA 0.684 5.034 4.350 -0.000 0.000 0.275 1049 E C -1.968 174.728 176.600 0.160 0.000 0.935 1049 E CA -1.332 55.110 56.400 0.069 0.000 0.775 1049 E CB 2.843 32.433 29.700 -0.183 0.000 1.277 1049 E HN 1.298 nan 8.360 nan 0.000 0.455 1050 V N -0.593 119.367 119.914 0.076 0.000 2.623 1050 V HA 0.508 4.628 4.120 -0.000 0.000 0.304 1050 V C -1.261 174.859 176.094 0.044 0.000 1.054 1050 V CA -0.789 61.571 62.300 0.101 0.000 0.882 1050 V CB 1.680 33.585 31.823 0.137 0.000 1.002 1050 V HN 0.734 nan 8.190 nan 0.000 0.424 1051 E N 4.448 124.685 120.200 0.062 0.000 1.814 1051 E HA 0.377 4.727 4.350 -0.000 0.000 0.264 1051 E C -0.337 176.293 176.600 0.050 0.000 1.179 1051 E CA 0.114 56.538 56.400 0.040 0.000 0.972 1051 E CB 0.848 30.571 29.700 0.039 0.000 1.077 1051 E HN 0.799 nan 8.360 nan 0.000 0.417 1052 L N 2.897 124.144 121.223 0.040 0.000 2.313 1052 L HA 0.152 4.491 4.340 -0.000 0.000 0.282 1052 L C 0.845 177.738 176.870 0.039 0.000 1.092 1052 L CA 0.369 55.236 54.840 0.045 0.000 0.831 1052 L CB 0.188 42.269 42.059 0.038 0.000 1.159 1052 L HN 0.738 nan 8.230 nan 0.000 0.442 1053 E N 2.248 122.474 120.200 0.044 0.000 3.141 1053 E HA -0.356 3.993 4.350 -0.000 0.000 0.398 1053 E C 0.389 177.009 176.600 0.034 0.000 1.504 1053 E CA 1.711 58.135 56.400 0.039 0.000 1.266 1053 E CB -0.512 29.208 29.700 0.034 0.000 1.586 1053 E HN 0.715 nan 8.360 nan 0.000 0.497 1054 R N -1.464 119.054 120.500 0.030 0.000 2.570 1054 R HA 0.111 4.451 4.340 -0.000 0.000 0.203 1054 R C 1.507 177.824 176.300 0.027 0.000 0.968 1054 R CA 1.112 57.228 56.100 0.027 0.000 1.514 1054 R CB 0.128 30.443 30.300 0.025 0.000 1.719 1054 R HN 0.403 nan 8.270 nan 0.000 0.503 1055 G N 0.978 109.795 108.800 0.027 0.000 2.623 1055 G HA2 0.032 3.991 3.960 -0.000 0.000 0.214 1055 G HA3 0.032 3.991 3.960 -0.000 0.000 0.214 1055 G C 0.328 175.248 174.900 0.033 0.000 1.138 1055 G CA 0.250 45.368 45.100 0.029 0.000 0.794 1055 G HN 0.010 nan 8.290 nan 0.000 0.535 1056 K N -0.183 120.235 120.400 0.030 0.000 2.207 1056 K HA 0.507 4.827 4.320 -0.000 0.000 0.255 1056 K C 0.173 176.780 176.600 0.012 0.000 0.941 1056 K CA -0.402 55.903 56.287 0.030 0.000 0.825 1056 K CB 2.010 34.526 32.500 0.027 0.000 1.119 1056 K HN -0.078 nan 8.250 nan 0.000 0.430 1057 T N 0.936 115.486 114.554 -0.006 0.000 2.978 1057 T HA 0.179 4.528 4.350 -0.000 0.000 0.248 1057 T C 0.090 174.647 174.700 -0.238 0.000 1.018 1057 T CA -0.423 61.609 62.100 -0.114 0.000 1.026 1057 T CB -0.014 68.771 68.868 -0.138 0.000 1.032 1057 T HN 0.486 nan 8.240 nan 0.000 0.485 1058 L N 3.266 124.414 121.223 -0.126 0.000 3.244 1058 L HA -0.183 4.157 4.340 -0.000 0.000 0.589 1058 L C -1.052 175.683 176.870 -0.225 0.000 1.005 1058 L CA 0.050 54.837 54.840 -0.088 0.000 1.258 1058 L CB -1.040 40.995 42.059 -0.040 0.000 1.311 1058 L HN 0.513 nan 8.230 nan 0.000 0.677 1059 H N 3.646 122.682 119.070 -0.057 0.000 2.594 1059 H HA 0.697 5.253 4.556 -0.000 0.000 0.304 1059 H C -0.061 175.139 175.328 -0.215 0.000 1.068 1059 H CA -0.485 55.500 56.048 -0.106 0.000 1.308 1059 H CB 0.881 30.607 29.762 -0.059 0.000 1.409 1059 H HN 0.278 nan 8.280 nan 0.000 0.460 1060 I N 2.021 122.350 120.570 -0.403 0.000 2.740 1060 I HA 0.403 4.573 4.170 -0.000 0.000 0.303 1060 I C -0.296 175.364 176.117 -0.761 0.000 1.044 1060 I CA -0.810 60.131 61.300 -0.598 0.000 1.064 1060 I CB 1.939 39.441 38.000 -0.831 0.000 1.249 1060 I HN 0.439 nan 8.210 nan 0.000 0.433 1061 K N 3.057 123.277 120.400 -0.299 0.000 2.513 1061 K HA 0.840 5.160 4.320 -0.000 0.000 0.251 1061 K C -0.462 176.194 176.600 0.095 0.000 0.939 1061 K CA -0.534 55.700 56.287 -0.087 0.000 0.793 1061 K CB 2.064 34.546 32.500 -0.029 0.000 1.241 1061 K HN 0.739 nan 8.250 nan 0.000 0.431 1062 A N 3.529 126.455 122.820 0.176 0.000 3.707 1062 A HA 0.357 4.677 4.320 -0.000 0.000 0.150 1062 A C 0.067 177.564 177.584 -0.145 0.000 1.404 1062 A CA 0.272 52.293 52.037 -0.026 0.000 0.977 1062 A CB -0.535 18.491 19.000 0.044 0.000 1.174 1062 A HN 0.860 nan 8.150 nan 0.000 0.547 1063 L N -2.606 118.534 121.223 -0.138 0.000 2.492 1063 L HA 0.080 4.420 4.340 -0.000 0.000 0.668 1063 L C -0.353 176.425 176.870 -0.153 0.000 1.022 1063 L CA 0.218 54.990 54.840 -0.113 0.000 1.371 1063 L CB -1.603 40.419 42.059 -0.062 0.000 2.041 1063 L HN 2.294 nan 8.230 nan 0.000 0.953 1064 A N 1.960 124.689 122.820 -0.151 0.000 2.428 1064 A HA 0.413 4.733 4.320 -0.000 0.000 0.684 1064 A C -0.826 176.654 177.584 -0.173 0.000 0.138 1064 A CA -0.185 51.768 52.037 -0.140 0.000 0.038 1064 A CB -0.714 18.213 19.000 -0.122 0.000 3.962 1064 A HN 1.221 nan 8.150 nan 0.000 0.547 1065 V N 1.579 121.416 119.914 -0.128 0.000 3.177 1065 V HA 0.879 4.999 4.120 -0.000 0.000 0.287 1065 V C 0.728 176.770 176.094 -0.086 0.000 1.465 1065 V CA 0.378 62.606 62.300 -0.120 0.000 1.020 1065 V CB 2.187 33.933 31.823 -0.127 0.000 1.152 1065 V HN 2.591 nan 8.190 nan 0.000 0.448 1066 S N -0.525 115.130 115.700 -0.074 0.000 4.678 1066 S HA -0.069 4.401 4.470 -0.000 0.000 0.040 1066 S C -0.150 174.420 174.600 -0.049 0.000 0.860 1066 S CA 0.188 58.353 58.200 -0.058 0.000 0.927 1066 S CB -0.765 62.403 63.200 -0.052 0.000 0.365 1066 S HN 0.752 nan 8.310 nan 0.000 0.802 1067 D N 3.892 124.261 120.400 -0.051 0.000 2.826 1067 D HA 0.265 4.904 4.640 -0.000 0.000 0.247 1067 D C 1.779 178.055 176.300 -0.039 0.000 1.238 1067 D CA -0.228 53.748 54.000 -0.041 0.000 0.894 1067 D CB -0.353 40.423 40.800 -0.040 0.000 1.100 1067 D HN 0.271 nan 8.370 nan 0.000 0.453 1068 L N 0.390 121.589 121.223 -0.039 0.000 2.166 1068 L HA -0.307 4.033 4.340 -0.000 0.000 0.228 1068 L C 1.522 178.374 176.870 -0.030 0.000 1.101 1068 L CA 1.734 56.552 54.840 -0.036 0.000 0.821 1068 L CB -0.471 41.569 42.059 -0.032 0.000 0.908 1068 L HN 0.387 nan 8.230 nan 0.000 0.447 1069 N N -0.795 117.890 118.700 -0.025 0.000 2.220 1069 N HA -0.021 4.719 4.740 -0.000 0.000 0.195 1069 N C 0.772 176.272 175.510 -0.016 0.000 1.123 1069 N CA -0.129 52.910 53.050 -0.019 0.000 0.874 1069 N CB 0.201 38.679 38.487 -0.016 0.000 0.995 1069 N HN 0.238 nan 8.380 nan 0.000 0.498 1070 R N 2.179 122.668 120.500 -0.018 0.000 3.844 1070 R HA -0.061 4.279 4.340 -0.000 0.000 0.267 1070 R C 0.266 176.560 176.300 -0.009 0.000 0.940 1070 R CA 0.605 56.697 56.100 -0.014 0.000 0.946 1070 R CB -0.953 29.337 30.300 -0.017 0.000 0.995 1070 R HN 0.178 nan 8.270 nan 0.000 0.395 1071 A N 2.852 125.668 122.820 -0.006 0.000 2.745 1071 A HA -0.165 4.155 4.320 -0.000 0.000 0.296 1071 A C 1.092 178.675 177.584 -0.002 0.000 1.500 1071 A CA 1.048 53.084 52.037 -0.002 0.000 0.766 1071 A CB -2.099 16.902 19.000 0.001 0.000 1.030 1071 A HN 1.864 nan 8.150 nan 0.000 0.489 1072 G N -2.261 106.536 108.800 -0.006 0.000 2.225 1072 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.264 1072 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.264 1072 G C 0.010 174.904 174.900 -0.010 0.000 1.060 1072 G CA 1.378 46.475 45.100 -0.006 0.000 0.833 1072 G HN 1.416 nan 8.290 nan 0.000 0.498 1073 Q N -1.723 118.067 119.800 -0.017 0.000 2.920 1073 Q HA 0.815 5.155 4.340 -0.000 0.000 0.313 1073 Q C 0.475 176.450 176.000 -0.042 0.000 0.976 1073 Q CA -0.630 55.157 55.803 -0.026 0.000 0.678 1073 Q CB 1.258 29.985 28.738 -0.018 0.000 3.697 1073 Q HN 0.448 nan 8.270 nan 0.000 0.280 1074 R N -0.418 120.055 120.500 -0.046 0.000 3.452 1074 R HA 0.113 4.453 4.340 -0.000 0.000 0.279 1074 R C -2.298 173.965 176.300 -0.061 0.000 0.955 1074 R CA -0.218 55.848 56.100 -0.056 0.000 0.835 1074 R CB 0.870 31.126 30.300 -0.072 0.000 1.357 1074 R HN 0.436 nan 8.270 nan 0.000 0.536 1075 Q N 1.973 121.734 119.800 -0.065 0.000 2.284 1075 Q HA 0.550 4.890 4.340 -0.000 0.000 0.269 1075 Q C -1.623 174.325 176.000 -0.086 0.000 1.026 1075 Q CA -0.787 54.977 55.803 -0.064 0.000 0.831 1075 Q CB 2.417 31.130 28.738 -0.042 0.000 1.322 1075 Q HN 0.516 nan 8.270 nan 0.000 0.419 1076 V N 0.190 120.045 119.914 -0.098 0.000 2.881 1076 V HA 1.062 5.182 4.120 -0.000 0.000 0.316 1076 V C -1.046 174.931 176.094 -0.195 0.000 1.070 1076 V CA -0.294 61.894 62.300 -0.188 0.000 0.976 1076 V CB 1.582 33.250 31.823 -0.260 0.000 1.038 1076 V HN 0.851 nan 8.190 nan 0.000 0.446 1077 A N 2.870 125.487 122.820 -0.339 0.000 2.393 1077 A HA 0.940 5.259 4.320 -0.000 0.000 0.306 1077 A C -1.263 176.078 177.584 -0.406 0.000 1.050 1077 A CA -0.507 51.398 52.037 -0.219 0.000 0.724 1077 A CB 1.217 20.155 19.000 -0.104 0.000 1.248 1077 A HN 0.852 nan 8.150 nan 0.000 0.424 1078 F N -0.170 119.780 119.950 -0.000 0.000 2.598 1078 F HA 0.604 5.131 4.527 -0.000 0.000 0.327 1078 F C 0.325 176.109 175.800 -0.026 0.000 1.057 1078 F CA -0.533 57.459 58.000 -0.012 0.000 0.957 1078 F CB 2.118 41.115 39.000 -0.005 0.000 1.278 1078 F HN 0.500 nan 8.300 nan 0.000 0.484 1079 E N 1.641 121.928 120.200 0.144 0.000 3.012 1079 E HA 0.246 4.596 4.350 -0.000 0.000 0.228 1079 E C -0.952 175.669 176.600 0.036 0.000 1.184 1079 E CA -0.429 56.007 56.400 0.060 0.000 1.407 1079 E CB 0.389 30.101 29.700 0.020 0.000 1.438 1079 E HN 0.349 nan 8.360 nan 0.000 0.435 1080 L N 1.916 123.170 121.223 0.051 0.000 2.745 1080 L HA 0.006 4.346 4.340 -0.000 0.000 0.273 1080 L C 0.081 176.964 176.870 0.022 0.000 1.156 1080 L CA 0.686 55.534 54.840 0.014 0.000 0.982 1080 L CB -1.424 40.641 42.059 0.010 0.000 1.295 1080 L HN 0.421 nan 8.230 nan 0.000 0.483 1081 N N 2.432 121.153 118.700 0.035 0.000 1.202 1081 N HA -0.274 4.466 4.740 -0.000 0.000 0.108 1081 N C 1.184 176.694 175.510 -0.001 0.000 0.816 1081 N CA 2.067 55.140 53.050 0.039 0.000 0.848 1081 N CB -1.322 37.201 38.487 0.061 0.000 0.972 1081 N HN 0.747 nan 8.380 nan 0.000 0.645 1082 G N -0.520 108.275 108.800 -0.008 0.000 2.462 1082 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.220 1082 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.220 1082 G C 0.599 175.497 174.900 -0.002 0.000 1.121 1082 G CA 2.038 47.130 45.100 -0.013 0.000 0.758 1082 G HN 0.744 nan 8.290 nan 0.000 0.559 1083 Q N -0.796 119.009 119.800 0.008 0.000 2.838 1083 Q HA 0.728 5.068 4.340 -0.000 0.000 0.189 1083 Q C -0.846 175.168 176.000 0.023 0.000 1.029 1083 Q CA -1.048 54.763 55.803 0.014 0.000 0.919 1083 Q CB 0.987 29.736 28.738 0.018 0.000 2.121 1083 Q HN 0.235 nan 8.270 nan 0.000 0.455 1084 L N -2.249 118.993 121.223 0.031 0.000 2.582 1084 L HA 0.736 5.076 4.340 -0.000 0.000 0.257 1084 L C -1.067 175.837 176.870 0.056 0.000 0.974 1084 L CA -0.887 53.982 54.840 0.047 0.000 0.851 1084 L CB 1.888 43.967 42.059 0.033 0.000 1.424 1084 L HN 0.958 nan 8.230 nan 0.000 0.412 1085 R N -0.231 120.322 120.500 0.089 0.000 2.741 1085 R HA 0.932 5.271 4.340 -0.000 0.000 0.274 1085 R C -1.514 174.868 176.300 0.138 0.000 1.029 1085 R CA -0.361 55.794 56.100 0.091 0.000 0.880 1085 R CB 1.649 31.999 30.300 0.083 0.000 1.264 1085 R HN 0.973 nan 8.270 nan 0.000 0.465 1086 S N 0.375 116.143 115.700 0.114 0.000 2.549 1086 S HA 0.681 5.151 4.470 -0.000 0.000 0.280 1086 S C -0.913 173.757 174.600 0.117 0.000 1.109 1086 S CA -0.842 57.432 58.200 0.123 0.000 0.905 1086 S CB 1.736 64.960 63.200 0.039 0.000 1.081 1086 S HN 0.578 nan 8.310 nan 0.000 0.477 1087 I N 1.670 122.324 120.570 0.140 0.000 2.648 1087 I HA 0.606 4.776 4.170 -0.000 0.000 0.304 1087 I C -1.251 174.854 176.117 -0.020 0.000 1.009 1087 I CA -1.493 59.849 61.300 0.071 0.000 1.114 1087 I CB 1.742 39.796 38.000 0.090 0.000 1.293 1087 I HN 0.894 nan 8.210 nan 0.000 0.449 1088 L N 7.330 128.514 121.223 -0.064 0.000 2.272 1088 L HA 0.640 4.980 4.340 -0.000 0.000 0.289 1088 L C -1.023 175.757 176.870 -0.149 0.000 1.032 1088 L CA -0.516 54.279 54.840 -0.074 0.000 0.810 1088 L CB 1.215 43.264 42.059 -0.017 0.000 1.205 1088 L HN 0.449 nan 8.230 nan 0.000 0.422 1089 V N 3.516 123.347 119.914 -0.137 0.000 3.193 1089 V HA 0.484 4.603 4.120 -0.000 0.000 0.320 1089 V C -0.803 175.249 176.094 -0.070 0.000 1.112 1089 V CA -0.896 61.321 62.300 -0.138 0.000 1.026 1089 V CB 2.041 33.750 31.823 -0.190 0.000 1.128 1089 V HN 0.706 nan 8.190 nan 0.000 0.452 1090 K N 0.093 120.457 120.400 -0.062 0.000 2.425 1090 K HA 0.422 4.742 4.320 -0.000 0.000 0.259 1090 K C -0.097 176.443 176.600 -0.100 0.000 0.978 1090 K CA -0.394 55.870 56.287 -0.037 0.000 0.883 1090 K CB 0.982 33.504 32.500 0.036 0.000 1.110 1090 K HN 0.503 nan 8.250 nan 0.000 0.436 1091 D N 1.949 122.299 120.400 -0.085 0.000 2.311 1091 D HA -0.136 4.504 4.640 -0.000 0.000 0.212 1091 D C -0.312 175.947 176.300 -0.068 0.000 0.972 1091 D CA 1.210 55.154 54.000 -0.093 0.000 0.887 1091 D CB 0.029 40.789 40.800 -0.067 0.000 0.915 1091 D HN 0.727 nan 8.370 nan 0.000 0.497 1092 T N 0.559 115.092 114.554 -0.035 0.000 4.093 1092 T HA -0.352 3.998 4.350 -0.000 0.000 0.334 1092 T C 0.357 175.053 174.700 -0.007 0.000 0.773 1092 T CA 0.903 63.001 62.100 -0.003 0.000 1.900 1092 T CB -2.148 66.728 68.868 0.014 0.000 1.911 1092 T HN 0.721 nan 8.240 nan 0.000 0.844 1093 Q N -2.296 117.495 119.800 -0.016 0.000 2.406 1093 Q HA -0.222 4.117 4.340 -0.000 0.000 0.339 1093 Q C 0.276 176.267 176.000 -0.015 0.000 1.337 1093 Q CA 0.867 56.661 55.803 -0.015 0.000 0.985 1093 Q CB -2.107 26.627 28.738 -0.006 0.000 1.216 1093 Q HN 1.145 nan 8.270 nan 0.000 0.415 1094 A N 0.000 122.805 122.820 -0.025 0.000 2.254 1094 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1094 A CA 0.000 52.023 52.037 -0.024 0.000 0.836 1094 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 1094 A HN 0.000 nan 8.150 nan 0.000 0.486