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 3bg3_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 GTHILCIXDM 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 RQVFFELNGQ LRSILVKDTQ DATA SEQUENCE AMKE 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 0.000 175.994 176.000 -0.010 0.000 1.003 494 Q CA 0.000 55.797 55.803 -0.010 0.000 1.022 494 Q CB 0.000 28.735 28.738 -0.005 0.000 1.108 495 N N 0.236 118.930 118.700 -0.010 0.000 2.360 495 N HA 0.114 4.855 4.740 0.001 0.000 0.211 495 N C 1.287 176.790 175.510 -0.013 0.000 1.147 495 N CA 0.061 53.104 53.050 -0.012 0.000 0.866 495 N CB 0.543 39.022 38.487 -0.013 0.000 1.206 495 N HN 0.034 nan 8.380 nan 0.000 0.478 496 R N 0.269 120.763 120.500 -0.010 0.000 2.236 496 R HA 0.163 4.503 4.340 0.001 0.000 0.208 496 R C 1.446 177.744 176.300 -0.003 0.000 1.036 496 R CA 0.985 57.081 56.100 -0.006 0.000 1.001 496 R CB 0.178 30.477 30.300 -0.002 0.000 0.896 496 R HN 0.162 nan 8.270 nan 0.000 0.464 497 A N -0.562 122.252 122.820 -0.010 0.000 2.085 497 A HA 0.028 4.348 4.320 0.001 0.000 0.208 497 A C 1.807 179.372 177.584 -0.031 0.000 1.191 497 A CA -0.050 51.974 52.037 -0.022 0.000 0.799 497 A CB 0.106 19.086 19.000 -0.033 0.000 0.877 497 A HN 0.166 nan 8.150 nan 0.000 0.473 498 Q N 0.600 120.389 119.800 -0.017 0.000 2.124 498 Q HA -0.137 4.203 4.340 0.001 0.000 0.202 498 Q C 1.627 177.650 176.000 0.040 0.000 0.977 498 Q CA 1.452 57.250 55.803 -0.008 0.000 0.850 498 Q CB -0.109 28.625 28.738 -0.007 0.000 0.901 498 Q HN 0.686 nan 8.270 nan 0.000 0.429 499 K N 0.095 120.521 120.400 0.043 0.000 2.097 499 K HA -0.138 4.183 4.320 0.001 0.000 0.205 499 K C 2.161 178.853 176.600 0.153 0.000 1.050 499 K CA 0.676 57.012 56.287 0.082 0.000 0.938 499 K CB -0.148 32.353 32.500 0.002 0.000 0.718 499 K HN 0.069 nan 8.250 nan 0.000 0.442 500 L N 1.709 122.985 121.223 0.088 0.000 1.994 500 L HA -0.169 4.171 4.340 0.001 0.000 0.208 500 L C 1.965 178.893 176.870 0.098 0.000 1.071 500 L CA 1.538 56.441 54.840 0.105 0.000 0.745 500 L CB -0.401 41.687 42.059 0.049 0.000 0.892 500 L HN 0.113 nan 8.230 nan 0.000 0.431 501 L N -1.137 120.051 121.223 -0.058 0.000 2.012 501 L HA -0.288 4.052 4.340 0.001 0.000 0.210 501 L C 2.720 179.644 176.870 0.090 0.000 1.073 501 L CA 1.543 56.217 54.840 -0.275 0.000 0.748 501 L CB -1.102 40.691 42.059 -0.444 0.000 0.891 501 L HN 0.470 nan 8.230 nan 0.000 0.431 502 H N -0.502 118.621 119.070 0.087 0.000 2.353 502 H HA -0.285 4.271 4.556 0.001 0.000 0.298 502 H C 2.094 177.620 175.328 0.329 0.000 1.103 502 H CA 2.140 58.310 56.048 0.203 0.000 1.293 502 H CB -0.436 29.416 29.762 0.151 0.000 1.372 502 H HN 0.412 nan 8.280 nan 0.000 0.501 503 Y N 0.481 120.948 120.300 0.279 0.000 2.200 503 Y HA -0.111 4.440 4.550 0.001 0.000 0.290 503 Y C 2.465 178.383 175.900 0.030 0.000 1.137 503 Y CA 1.431 59.486 58.100 -0.076 0.000 1.163 503 Y CB -0.259 38.075 38.460 -0.209 0.000 0.988 503 Y HN 0.140 nan 8.280 nan 0.000 0.518 504 L N -0.669 120.628 121.223 0.123 0.000 2.291 504 L HA -0.065 4.275 4.340 0.001 0.000 0.214 504 L C 2.547 179.509 176.870 0.153 0.000 1.120 504 L CA 0.974 55.874 54.840 0.100 0.000 0.799 504 L CB -1.023 41.191 42.059 0.258 0.000 0.925 504 L HN 0.406 nan 8.230 nan 0.000 0.446 505 G N -1.209 107.757 108.800 0.277 0.000 2.396 505 G HA2 -0.253 3.707 3.960 0.001 0.000 0.214 505 G HA3 -0.253 3.707 3.960 0.001 0.000 0.214 505 G C 1.514 176.465 174.900 0.085 0.000 1.166 505 G CA 0.336 45.573 45.100 0.228 0.000 0.793 505 G HN 0.405 nan 8.290 nan 0.000 0.533 506 H N 0.365 119.424 119.070 -0.018 0.000 2.387 506 H HA -0.054 4.502 4.556 0.001 0.000 0.299 506 H C 2.475 177.666 175.328 -0.229 0.000 1.099 506 H CA 1.582 57.571 56.048 -0.099 0.000 1.315 506 H CB 0.128 29.798 29.762 -0.153 0.000 1.380 506 H HN 0.178 nan 8.280 nan 0.000 0.513 507 V N 1.294 120.911 119.914 -0.495 0.000 2.358 507 V HA -0.273 3.847 4.120 0.001 0.000 0.246 507 V C 2.890 178.810 176.094 -0.290 0.000 1.047 507 V CA 1.794 63.800 62.300 -0.488 0.000 1.035 507 V CB -0.532 30.985 31.823 -0.510 0.000 0.658 507 V HN 0.391 nan 8.190 nan 0.000 0.452 508 M N -0.679 118.810 119.600 -0.185 0.000 2.149 508 M HA -0.159 4.321 4.480 0.001 0.000 0.261 508 M C 2.084 178.313 176.300 -0.118 0.000 1.064 508 M CA 1.613 56.843 55.300 -0.117 0.000 1.102 508 M CB -0.378 32.184 32.600 -0.064 0.000 1.369 508 M HN 0.244 nan 8.290 nan 0.000 0.408 509 V N -0.079 119.759 119.914 -0.126 0.000 2.446 509 V HA -0.119 4.002 4.120 0.001 0.000 0.244 509 V C 1.392 177.413 176.094 -0.121 0.000 1.039 509 V CA 1.350 63.590 62.300 -0.099 0.000 1.045 509 V CB -0.411 31.376 31.823 -0.060 0.000 0.681 509 V HN 0.459 nan 8.190 nan 0.000 0.459 510 N N -0.136 118.443 118.700 -0.201 0.000 2.214 510 N HA 0.286 5.026 4.740 0.001 0.000 0.214 510 N C 0.861 176.256 175.510 -0.191 0.000 1.132 510 N CA 0.896 53.831 53.050 -0.193 0.000 0.856 510 N CB 1.194 39.527 38.487 -0.256 0.000 1.020 510 N HN 0.494 nan 8.380 nan 0.000 0.509 511 G N 2.046 110.732 108.800 -0.190 0.000 2.804 511 G HA2 -0.241 3.719 3.960 0.001 0.000 0.230 511 G HA3 -0.241 3.719 3.960 0.001 0.000 0.230 511 G C -2.834 171.943 174.900 -0.205 0.000 1.386 511 G CA -0.969 44.032 45.100 -0.165 0.000 0.875 511 G HN 0.075 nan 8.290 nan 0.000 0.557 512 P HA 0.164 nan 4.420 nan 0.000 0.266 512 P C 1.440 178.705 177.300 -0.058 0.000 1.195 512 P CA 0.758 63.786 63.100 -0.120 0.000 0.768 512 P CB 0.622 32.292 31.700 -0.050 0.000 0.838 513 T N -0.581 113.966 114.554 -0.011 0.000 2.708 513 T HA -0.094 4.257 4.350 0.001 0.000 0.266 513 T C 0.859 175.692 174.700 0.222 0.000 1.037 513 T CA 1.419 63.616 62.100 0.163 0.000 1.146 513 T CB -1.301 67.765 68.868 0.330 0.000 0.865 513 T HN 0.548 nan 8.240 nan 0.000 0.435 514 T N 1.204 115.907 114.554 0.248 0.000 2.868 514 T HA 0.456 4.807 4.350 0.001 0.000 0.292 514 T C -2.693 172.141 174.700 0.224 0.000 1.028 514 T CA -1.873 60.413 62.100 0.309 0.000 1.059 514 T CB 0.614 69.717 68.868 0.392 0.000 0.991 514 T HN 0.166 nan 8.240 nan 0.000 0.531 515 P HA 0.217 nan 4.420 nan 0.000 0.262 515 P C -0.717 176.638 177.300 0.092 0.000 1.199 515 P CA 0.020 63.184 63.100 0.108 0.000 0.763 515 P CB 0.233 31.993 31.700 0.099 0.000 0.790 516 I N 6.665 127.220 120.570 -0.025 0.000 2.328 516 I HA 0.148 4.319 4.170 0.001 0.000 0.287 516 I C -1.204 174.746 176.117 -0.278 0.000 1.012 516 I CA -2.209 58.979 61.300 -0.186 0.000 1.195 516 I CB 1.992 39.853 38.000 -0.231 0.000 1.350 516 I HN 0.237 nan 8.210 nan 0.000 0.464 517 P HA -0.001 nan 4.420 nan 0.000 0.214 517 P C 0.212 177.240 177.300 -0.454 0.000 1.167 517 P CA 0.665 63.406 63.100 -0.599 0.000 0.882 517 P CB 0.188 31.402 31.700 -0.810 0.000 0.777 518 V N 2.590 122.381 119.914 -0.205 0.000 2.432 518 V HA 0.071 4.192 4.120 0.001 0.000 0.271 518 V C 0.837 176.840 176.094 -0.151 0.000 1.046 518 V CA -0.681 61.558 62.300 -0.102 0.000 0.945 518 V CB 0.521 32.358 31.823 0.023 0.000 0.992 518 V HN 0.191 nan 8.190 nan 0.000 0.471 519 K N 3.522 123.853 120.400 -0.116 0.000 2.715 519 K HA 0.572 4.892 4.320 0.001 0.000 0.248 519 K C 0.030 176.573 176.600 -0.096 0.000 1.276 519 K CA 0.042 56.263 56.287 -0.110 0.000 1.209 519 K CB 0.074 32.525 32.500 -0.081 0.000 1.509 519 K HN 0.622 nan 8.250 nan 0.000 0.261 520 A N 0.952 123.701 122.820 -0.119 0.000 2.423 520 A HA 0.598 4.918 4.320 0.001 0.000 0.304 520 A C -0.593 176.921 177.584 -0.117 0.000 1.104 520 A CA -0.948 51.028 52.037 -0.101 0.000 0.757 520 A CB 1.413 20.361 19.000 -0.085 0.000 1.313 520 A HN 0.492 nan 8.150 nan 0.000 0.423 521 S N 1.077 116.722 115.700 -0.091 0.000 2.578 521 S HA 0.717 5.187 4.470 0.001 0.000 0.283 521 S C -2.825 171.724 174.600 -0.086 0.000 1.195 521 S CA -1.367 56.779 58.200 -0.090 0.000 1.050 521 S CB 0.748 63.903 63.200 -0.074 0.000 1.012 521 S HN 0.472 nan 8.310 nan 0.000 0.511 522 P HA 0.213 nan 4.420 nan 0.000 0.268 522 P C -0.030 177.221 177.300 -0.081 0.000 1.205 522 P CA -0.190 62.851 63.100 -0.097 0.000 0.771 522 P CB 0.429 32.056 31.700 -0.123 0.000 0.858 523 S N 2.947 118.603 115.700 -0.073 0.000 2.573 523 S HA 0.133 4.604 4.470 0.001 0.000 0.277 523 S C -1.306 173.257 174.600 -0.061 0.000 1.346 523 S CA -0.970 57.194 58.200 -0.059 0.000 1.034 523 S CB -0.249 62.919 63.200 -0.052 0.000 0.879 523 S HN 0.343 nan 8.310 nan 0.000 0.528 524 P HA 0.125 nan 4.420 nan 0.000 0.249 524 P C 0.130 177.408 177.300 -0.037 0.000 1.229 524 P CA 0.174 63.249 63.100 -0.043 0.000 0.788 524 P CB -0.427 31.253 31.700 -0.033 0.000 1.072 525 T N -2.141 112.389 114.554 -0.041 0.000 2.806 525 T HA 0.246 4.596 4.350 0.001 0.000 0.290 525 T C -0.116 174.555 174.700 -0.048 0.000 0.966 525 T CA -0.726 61.351 62.100 -0.038 0.000 1.060 525 T CB 0.840 69.685 68.868 -0.038 0.000 0.927 525 T HN -0.175 nan 8.240 nan 0.000 0.485 526 D N 4.027 124.406 120.400 -0.034 0.000 2.348 526 D HA 0.251 4.892 4.640 0.001 0.000 0.253 526 D C -1.990 174.277 176.300 -0.055 0.000 1.161 526 D CA -1.263 52.717 54.000 -0.033 0.000 0.876 526 D CB 0.957 41.756 40.800 -0.002 0.000 1.160 526 D HN 0.407 nan 8.370 nan 0.000 0.459 527 P HA 0.028 nan 4.420 nan 0.000 0.268 527 P C -0.546 176.721 177.300 -0.056 0.000 1.205 527 P CA -0.395 62.596 63.100 -0.183 0.000 0.771 527 P CB 0.675 32.115 31.700 -0.434 0.000 0.858 528 V N 4.366 124.263 119.914 -0.028 0.000 2.455 528 V HA 0.095 4.215 4.120 0.001 0.000 0.273 528 V C 0.273 176.453 176.094 0.143 0.000 1.045 528 V CA -0.131 62.196 62.300 0.045 0.000 0.976 528 V CB 1.084 32.921 31.823 0.023 0.000 0.993 528 V HN 0.233 nan 8.190 nan 0.000 0.475 529 V N 7.535 127.510 119.914 0.103 0.000 2.398 529 V HA 0.408 4.529 4.120 0.001 0.000 0.286 529 V C -1.987 174.105 176.094 -0.003 0.000 1.026 529 V CA -1.695 60.629 62.300 0.039 0.000 0.868 529 V CB 1.327 33.159 31.823 0.015 0.000 0.982 529 V HN 0.791 nan 8.190 nan 0.000 0.443 530 P HA 0.417 nan 4.420 nan 0.000 0.274 530 P C -0.272 177.078 177.300 0.084 0.000 1.231 530 P CA -0.218 62.886 63.100 0.006 0.000 0.790 530 P CB 0.589 32.250 31.700 -0.065 0.000 0.951 531 A N 1.670 124.540 122.820 0.083 0.000 2.462 531 A HA 0.423 4.743 4.320 0.001 0.000 0.243 531 A C -0.056 177.573 177.584 0.074 0.000 1.076 531 A CA -0.168 51.907 52.037 0.063 0.000 0.773 531 A CB -0.023 19.001 19.000 0.040 0.000 1.010 531 A HN 0.486 nan 8.150 nan 0.000 0.493 532 V N 3.993 123.907 119.914 0.001 0.000 2.735 532 V HA 0.724 4.845 4.120 0.001 0.000 0.310 532 V C -2.415 173.550 176.094 -0.215 0.000 1.061 532 V CA -1.809 60.416 62.300 -0.126 0.000 0.913 532 V CB 1.769 33.498 31.823 -0.158 0.000 1.005 532 V HN 0.947 nan 8.190 nan 0.000 0.428 533 P HA 0.337 nan 4.420 nan 0.000 0.272 533 P C 0.187 177.359 177.300 -0.213 0.000 1.223 533 P CA -0.252 62.728 63.100 -0.200 0.000 0.784 533 P CB 0.776 32.393 31.700 -0.137 0.000 0.923 534 I N -1.613 118.913 120.570 -0.073 0.000 3.433 534 I HA 0.525 4.695 4.170 0.001 0.000 0.265 534 I C 0.908 177.059 176.117 0.057 0.000 1.186 534 I CA -0.081 61.212 61.300 -0.011 0.000 1.008 534 I CB -0.746 37.255 38.000 0.001 0.000 1.552 534 I HN 0.723 nan 8.210 nan 0.000 0.790 535 G N 1.559 110.400 108.800 0.068 0.000 2.697 535 G HA2 -0.169 3.791 3.960 0.001 0.000 0.240 535 G HA3 -0.169 3.791 3.960 0.001 0.000 0.240 535 G C -2.629 172.342 174.900 0.120 0.000 1.346 535 G CA -0.384 44.760 45.100 0.074 0.000 0.887 535 G HN 0.805 nan 8.290 nan 0.000 0.569 536 P HA 0.384 nan 4.420 nan 0.000 0.272 536 P C -2.074 175.168 177.300 -0.096 0.000 1.230 536 P CA -0.809 62.281 63.100 -0.018 0.000 0.788 536 P CB 0.091 31.768 31.700 -0.039 0.000 0.949 537 P HA 0.303 nan 4.420 nan 0.000 0.277 537 P C -2.401 174.751 177.300 -0.246 0.000 1.271 537 P CA -1.321 61.424 63.100 -0.591 0.000 0.795 537 P CB -1.122 30.234 31.700 -0.574 0.000 1.101 538 P HA 0.203 nan 4.420 nan 0.000 0.272 538 P C -0.817 176.412 177.300 -0.118 0.000 1.223 538 P CA -0.231 62.798 63.100 -0.117 0.000 0.784 538 P CB 0.138 31.781 31.700 -0.095 0.000 0.923 539 A N 2.047 124.807 122.820 -0.100 0.000 2.492 539 A HA 0.515 4.836 4.320 0.001 0.000 0.254 539 A C 0.838 178.359 177.584 -0.105 0.000 1.091 539 A CA 0.515 52.491 52.037 -0.103 0.000 0.768 539 A CB -0.666 18.274 19.000 -0.100 0.000 1.028 539 A HN 0.621 nan 8.150 nan 0.000 0.498 540 G N 0.235 108.982 108.800 -0.089 0.000 2.753 540 G HA2 0.488 4.448 3.960 0.001 0.000 0.285 540 G HA3 0.488 4.448 3.960 0.001 0.000 0.285 540 G C 0.253 175.118 174.900 -0.058 0.000 1.344 540 G CA -0.585 44.488 45.100 -0.046 0.000 1.050 540 G HN 0.509 nan 8.290 nan 0.000 0.532 541 F N -0.537 119.398 119.950 -0.026 0.000 2.250 541 F HA 0.002 4.529 4.527 0.001 0.000 0.301 541 F C 2.872 178.642 175.800 -0.050 0.000 1.077 541 F CA 1.052 59.072 58.000 0.034 0.000 1.348 541 F CB 0.186 39.281 39.000 0.158 0.000 1.040 541 F HN 0.258 nan 8.300 nan 0.000 0.509 542 R N 0.521 121.029 120.500 0.013 0.000 2.120 542 R HA -0.178 4.163 4.340 0.001 0.000 0.234 542 R C 1.396 177.628 176.300 -0.113 0.000 1.123 542 R CA 1.933 57.954 56.100 -0.133 0.000 0.975 542 R CB -0.489 29.702 30.300 -0.183 0.000 0.866 542 R HN 0.263 nan 8.270 nan 0.000 0.446 543 D N -0.090 120.258 120.400 -0.087 0.000 2.178 543 D HA -0.113 4.527 4.640 0.001 0.000 0.202 543 D C 1.682 177.944 176.300 -0.064 0.000 0.974 543 D CA 1.007 54.956 54.000 -0.085 0.000 0.841 543 D CB 0.066 40.810 40.800 -0.092 0.000 0.953 543 D HN 0.272 nan 8.370 nan 0.000 0.478 544 I N -0.054 120.492 120.570 -0.040 0.000 2.500 544 I HA -0.128 4.043 4.170 0.001 0.000 0.252 544 I C 1.994 178.141 176.117 0.050 0.000 1.142 544 I CA 0.263 61.569 61.300 0.009 0.000 1.451 544 I CB 0.019 38.035 38.000 0.027 0.000 1.093 544 I HN 0.062 nan 8.210 nan 0.000 0.430 545 L N 0.875 122.107 121.223 0.014 0.000 2.005 545 L HA -0.149 4.191 4.340 0.001 0.000 0.207 545 L C 2.261 179.077 176.870 -0.091 0.000 1.072 545 L CA 1.902 56.688 54.840 -0.090 0.000 0.744 545 L CB -0.490 41.356 42.059 -0.354 0.000 0.895 545 L HN 0.102 nan 8.230 nan 0.000 0.433 546 L N -0.149 121.014 121.223 -0.100 0.000 2.046 546 L HA -0.169 4.172 4.340 0.001 0.000 0.208 546 L C 2.808 179.644 176.870 -0.058 0.000 1.077 546 L CA 1.767 56.554 54.840 -0.088 0.000 0.747 546 L CB -0.590 41.411 42.059 -0.096 0.000 0.896 546 L HN 0.431 nan 8.230 nan 0.000 0.432 547 R N 0.079 120.551 120.500 -0.046 0.000 2.246 547 R HA -0.024 4.316 4.340 0.001 0.000 0.199 547 R C 1.039 177.328 176.300 -0.018 0.000 0.984 547 R CA 0.910 56.990 56.100 -0.032 0.000 1.015 547 R CB 0.052 30.331 30.300 -0.034 0.000 0.930 547 R HN 0.382 nan 8.270 nan 0.000 0.475 548 E N 0.499 120.695 120.200 -0.007 0.000 2.601 548 E HA 0.185 4.536 4.350 0.001 0.000 0.219 548 E C 0.022 176.628 176.600 0.010 0.000 0.964 548 E CA 0.133 56.539 56.400 0.010 0.000 1.050 548 E CB 1.415 31.134 29.700 0.031 0.000 1.068 548 E HN 0.493 nan 8.360 nan 0.000 0.496 549 G N 2.508 111.301 108.800 -0.012 0.000 2.880 549 G HA2 -0.237 3.724 3.960 0.001 0.000 0.617 549 G HA3 -0.237 3.724 3.960 0.001 0.000 0.617 549 G C -2.143 172.736 174.900 -0.036 0.000 1.493 549 G CA -0.608 44.474 45.100 -0.031 0.000 0.916 549 G HN -0.054 nan 8.290 nan 0.000 0.553 550 P HA -0.047 nan 4.420 nan 0.000 0.216 550 P C 1.565 178.771 177.300 -0.158 0.000 1.150 550 P CA 1.760 64.726 63.100 -0.222 0.000 0.843 550 P CB 0.089 31.412 31.700 -0.628 0.000 0.787 551 E N -0.651 119.480 120.200 -0.116 0.000 2.085 551 E HA -0.135 4.215 4.350 0.001 0.000 0.194 551 E C 2.196 178.833 176.600 0.061 0.000 0.994 551 E CA 1.761 58.171 56.400 0.016 0.000 0.801 551 E CB -1.073 28.656 29.700 0.049 0.000 0.743 551 E HN 0.185 nan 8.360 nan 0.000 0.453 552 G N -0.366 108.475 108.800 0.068 0.000 2.394 552 G HA2 -0.263 3.698 3.960 0.001 0.000 0.214 552 G HA3 -0.263 3.698 3.960 0.001 0.000 0.214 552 G C 1.459 176.445 174.900 0.143 0.000 1.176 552 G CA 0.480 45.633 45.100 0.088 0.000 0.786 552 G HN 0.376 nan 8.290 nan 0.000 0.533 553 F N 2.424 122.388 119.950 0.022 0.000 2.120 553 F HA -0.099 4.429 4.527 0.001 0.000 0.300 553 F C 2.823 178.683 175.800 0.100 0.000 1.095 553 F CA 1.691 59.734 58.000 0.071 0.000 1.249 553 F CB -0.067 38.937 39.000 0.007 0.000 0.995 553 F HN 0.241 nan 8.300 nan 0.000 0.480 554 A N 0.727 123.571 122.820 0.039 0.000 1.873 554 A HA -0.243 4.077 4.320 0.001 0.000 0.218 554 A C 2.314 179.873 177.584 -0.043 0.000 1.193 554 A CA 2.008 54.029 52.037 -0.027 0.000 0.629 554 A CB -0.887 18.175 19.000 0.103 0.000 0.826 554 A HN 0.488 nan 8.150 nan 0.000 0.447 555 R N -0.891 119.619 120.500 0.016 0.000 2.073 555 R HA -0.088 4.252 4.340 0.001 0.000 0.234 555 R C 2.540 178.860 176.300 0.033 0.000 1.134 555 R CA 1.228 57.345 56.100 0.029 0.000 0.952 555 R CB -0.474 29.852 30.300 0.043 0.000 0.850 555 R HN 0.532 nan 8.270 nan 0.000 0.433 556 A N 0.512 123.363 122.820 0.053 0.000 1.908 556 A HA -0.133 4.188 4.320 0.001 0.000 0.218 556 A C 2.316 180.002 177.584 0.170 0.000 1.181 556 A CA 1.484 53.593 52.037 0.119 0.000 0.627 556 A CB -0.540 18.561 19.000 0.169 0.000 0.818 556 A HN 0.142 nan 8.150 nan 0.000 0.445 557 V N -0.094 119.836 119.914 0.027 0.000 2.343 557 V HA -0.242 3.879 4.120 0.001 0.000 0.247 557 V C 2.663 178.755 176.094 -0.003 0.000 1.051 557 V CA 2.380 64.638 62.300 -0.070 0.000 1.036 557 V CB -0.789 30.834 31.823 -0.334 0.000 0.654 557 V HN 0.683 nan 8.190 nan 0.000 0.451 558 R N 1.014 121.508 120.500 -0.009 0.000 2.092 558 R HA -0.113 4.228 4.340 0.001 0.000 0.231 558 R C 1.884 178.211 176.300 0.046 0.000 1.119 558 R CA 2.129 58.235 56.100 0.011 0.000 0.970 558 R CB -0.627 29.680 30.300 0.011 0.000 0.864 558 R HN 0.692 nan 8.270 nan 0.000 0.440 559 N N -0.679 118.061 118.700 0.067 0.000 2.331 559 N HA -0.138 4.602 4.740 0.001 0.000 0.180 559 N C -0.052 175.509 175.510 0.084 0.000 1.019 559 N CA 0.104 53.192 53.050 0.063 0.000 0.881 559 N CB -0.143 38.377 38.487 0.055 0.000 0.972 559 N HN 0.241 nan 8.380 nan 0.000 0.435 560 H N 2.159 121.261 119.070 0.053 0.000 3.191 560 H HA 0.005 4.561 4.556 0.001 0.000 0.261 560 H C -1.603 173.741 175.328 0.027 0.000 1.013 560 H CA -1.173 54.914 56.048 0.065 0.000 1.457 560 H CB 1.052 30.898 29.762 0.139 0.000 1.535 560 H HN 0.160 nan 8.280 nan 0.000 0.518 561 P HA -0.083 nan 4.420 nan 0.000 0.211 561 P C 0.745 178.040 177.300 -0.009 0.000 1.179 561 P CA 0.785 63.850 63.100 -0.059 0.000 0.910 561 P CB -0.079 31.561 31.700 -0.101 0.000 0.785 562 G N -0.162 108.617 108.800 -0.035 0.000 2.667 562 G HA2 0.244 4.204 3.960 0.001 0.000 0.250 562 G HA3 0.244 4.204 3.960 0.001 0.000 0.250 562 G C -0.615 174.384 174.900 0.164 0.000 1.212 562 G CA -0.404 44.729 45.100 0.055 0.000 0.874 562 G HN 0.216 nan 8.290 nan 0.000 0.561 563 L N -0.123 121.157 121.223 0.094 0.000 2.410 563 L HA 0.403 4.744 4.340 0.001 0.000 0.273 563 L C 0.011 176.909 176.870 0.046 0.000 1.152 563 L CA 0.118 54.987 54.840 0.047 0.000 0.855 563 L CB 0.337 42.406 42.059 0.017 0.000 1.129 563 L HN 0.324 nan 8.230 nan 0.000 0.463 564 L N 5.706 126.905 121.223 -0.040 0.000 2.344 564 L HA 0.540 4.880 4.340 0.001 0.000 0.272 564 L C -0.545 176.263 176.870 -0.103 0.000 1.035 564 L CA -0.654 54.121 54.840 -0.108 0.000 0.807 564 L CB 1.553 43.473 42.059 -0.231 0.000 1.237 564 L HN 0.563 nan 8.230 nan 0.000 0.442 565 L N 2.319 123.517 121.223 -0.043 0.000 2.370 565 L HA 0.589 4.930 4.340 0.001 0.000 0.266 565 L C -0.647 176.260 176.870 0.061 0.000 1.002 565 L CA -0.485 54.359 54.840 0.007 0.000 0.818 565 L CB 2.282 44.376 42.059 0.059 0.000 1.325 565 L HN 0.583 nan 8.230 nan 0.000 0.418 566 M N 2.488 122.143 119.600 0.091 0.000 2.181 566 M HA 0.337 4.817 4.480 0.001 0.000 0.323 566 M C -1.088 175.264 176.300 0.086 0.000 1.004 566 M CA -0.505 54.886 55.300 0.152 0.000 0.941 566 M CB 1.492 34.265 32.600 0.288 0.000 1.579 566 M HN 0.481 nan 8.290 nan 0.000 0.427 567 D N 2.391 122.811 120.400 0.035 0.000 2.308 567 D HA 0.179 4.819 4.640 0.001 0.000 0.251 567 D C 0.044 176.352 176.300 0.014 0.000 1.127 567 D CA 0.354 54.355 54.000 0.002 0.000 0.876 567 D CB 1.403 42.141 40.800 -0.103 0.000 1.176 567 D HN 0.699 nan 8.370 nan 0.000 0.446 568 T N 1.658 116.224 114.554 0.019 0.000 3.040 568 T HA 0.058 4.409 4.350 0.001 0.000 0.266 568 T C 1.404 176.105 174.700 0.001 0.000 1.005 568 T CA 0.195 62.303 62.100 0.013 0.000 0.906 568 T CB 0.100 68.964 68.868 -0.006 0.000 1.082 568 T HN 0.470 nan 8.240 nan 0.000 0.531 569 T N 1.286 115.833 114.554 -0.011 0.000 2.778 569 T HA -0.067 4.283 4.350 0.001 0.000 0.269 569 T C 1.165 175.852 174.700 -0.022 0.000 1.050 569 T CA 1.119 63.103 62.100 -0.194 0.000 1.137 569 T CB -0.366 68.228 68.868 -0.457 0.000 0.860 569 T HN 0.341 nan 8.240 nan 0.000 0.468 570 F N 0.472 120.396 119.950 -0.043 0.000 2.661 570 F HA 0.249 4.777 4.527 0.001 0.000 0.298 570 F C 2.318 178.242 175.800 0.207 0.000 1.137 570 F CA 0.164 58.226 58.000 0.104 0.000 1.454 570 F CB -0.051 38.994 39.000 0.075 0.000 1.103 570 F HN -0.038 nan 8.300 nan 0.000 0.577 571 R N -0.463 120.154 120.500 0.194 0.000 4.019 571 R HA 0.063 4.403 4.340 0.001 0.000 0.140 571 R C 1.599 177.708 176.300 -0.318 0.000 1.486 571 R CA 0.602 56.672 56.100 -0.049 0.000 1.119 571 R CB -0.873 29.437 30.300 0.018 0.000 1.357 571 R HN -0.045 nan 8.270 nan 0.000 0.449 572 D N 1.212 121.525 120.400 -0.144 0.000 2.117 572 D HA -0.010 4.630 4.640 0.001 0.000 0.197 572 D C 1.597 177.808 176.300 -0.148 0.000 0.987 572 D CA 1.668 55.601 54.000 -0.112 0.000 0.829 572 D CB -0.021 40.783 40.800 0.005 0.000 0.961 572 D HN 0.383 nan 8.370 nan 0.000 0.460 573 A N 0.453 123.180 122.820 -0.155 0.000 1.940 573 A HA -0.218 4.102 4.320 0.001 0.000 0.219 573 A C 2.037 179.522 177.584 -0.165 0.000 1.176 573 A CA 2.035 53.973 52.037 -0.165 0.000 0.631 573 A CB -1.005 17.863 19.000 -0.220 0.000 0.814 573 A HN 0.628 nan 8.150 nan 0.000 0.446 574 H N -1.808 117.133 119.070 -0.214 0.000 2.562 574 H HA 0.103 4.659 4.556 0.001 0.000 0.267 574 H C 1.841 177.074 175.328 -0.158 0.000 0.959 574 H CA 0.924 56.836 56.048 -0.226 0.000 1.204 574 H CB -0.416 29.163 29.762 -0.305 0.000 1.430 574 H HN 0.637 nan 8.280 nan 0.000 0.545 575 Q N 1.619 121.128 119.800 -0.485 0.000 2.170 575 Q HA -0.093 4.247 4.340 0.001 0.000 0.203 575 Q C 1.675 177.610 176.000 -0.107 0.000 0.976 575 Q CA 1.886 57.532 55.803 -0.262 0.000 0.858 575 Q CB 0.316 28.912 28.738 -0.237 0.000 0.907 575 Q HN 0.439 nan 8.270 nan 0.000 0.433 576 S N 0.175 115.823 115.700 -0.086 0.000 2.371 576 S HA 0.012 4.482 4.470 0.001 0.000 0.221 576 S C 1.802 176.364 174.600 -0.063 0.000 1.036 576 S CA 0.716 58.898 58.200 -0.031 0.000 0.965 576 S CB -0.045 63.174 63.200 0.033 0.000 0.845 576 S HN 0.329 nan 8.310 nan 0.000 0.475 577 L N 0.186 121.355 121.223 -0.091 0.000 2.307 577 L HA 0.293 4.634 4.340 0.001 0.000 0.211 577 L C 0.752 177.529 176.870 -0.155 0.000 1.099 577 L CA 0.726 55.495 54.840 -0.117 0.000 0.816 577 L CB -0.104 41.891 42.059 -0.106 0.000 0.952 577 L HN 0.179 nan 8.230 nan 0.000 0.455 578 L N -0.170 120.981 121.223 -0.120 0.000 3.347 578 L HA 0.438 4.778 4.340 0.001 0.000 0.306 578 L C 0.713 177.542 176.870 -0.068 0.000 1.301 578 L CA -0.334 54.448 54.840 -0.097 0.000 0.985 578 L CB 0.633 42.634 42.059 -0.097 0.000 1.400 578 L HN 0.095 nan 8.230 nan 0.000 0.601 579 A N -0.187 122.600 122.820 -0.054 0.000 2.745 579 A HA -0.271 4.050 4.320 0.001 0.000 0.296 579 A C 1.135 178.672 177.584 -0.077 0.000 1.500 579 A CA 0.950 52.995 52.037 0.014 0.000 0.766 579 A CB -2.219 16.908 19.000 0.212 0.000 1.030 579 A HN 0.747 nan 8.150 nan 0.000 0.489 580 T N -2.580 111.938 114.554 -0.059 0.000 4.210 580 T HA -0.264 4.087 4.350 0.001 0.000 0.329 580 T C 0.680 175.402 174.700 0.037 0.000 0.793 580 T CA 1.505 63.609 62.100 0.008 0.000 1.935 580 T CB -1.162 67.669 68.868 -0.060 0.000 1.918 580 T HN 0.893 nan 8.240 nan 0.000 0.875 581 R N -0.000 120.421 120.500 -0.131 0.000 2.317 581 R HA 0.262 4.602 4.340 0.001 0.000 0.208 581 R C 0.761 176.890 176.300 -0.284 0.000 0.914 581 R CA -0.047 55.877 56.100 -0.293 0.000 1.060 581 R CB 0.016 29.974 30.300 -0.570 0.000 1.015 581 R HN 0.507 nan 8.270 nan 0.000 0.498 582 V N 3.450 123.052 119.914 -0.520 0.000 2.450 582 V HA 0.026 4.146 4.120 0.001 0.000 0.281 582 V C 0.942 176.862 176.094 -0.290 0.000 1.019 582 V CA 0.124 62.015 62.300 -0.682 0.000 1.062 582 V CB 0.209 31.392 31.823 -1.067 0.000 0.979 582 V HN 0.116 nan 8.190 nan 0.000 0.477 583 R N 3.160 123.626 120.500 -0.057 0.000 2.582 583 R HA 0.219 4.560 4.340 0.001 0.000 0.271 583 R C 1.458 177.730 176.300 -0.047 0.000 1.078 583 R CA -0.244 55.810 56.100 -0.076 0.000 1.127 583 R CB 0.231 30.467 30.300 -0.107 0.000 1.038 583 R HN 0.710 nan 8.270 nan 0.000 0.500 584 T N 0.524 115.060 114.554 -0.030 0.000 2.665 584 T HA -0.262 4.088 4.350 0.001 0.000 0.268 584 T C 1.586 176.307 174.700 0.036 0.000 1.035 584 T CA 2.038 64.145 62.100 0.012 0.000 1.151 584 T CB -0.500 68.393 68.868 0.042 0.000 0.862 584 T HN 0.718 nan 8.240 nan 0.000 0.438 585 H N 1.345 120.395 119.070 -0.034 0.000 2.297 585 H HA -0.172 4.384 4.556 0.001 0.000 0.289 585 H C 1.936 177.256 175.328 -0.014 0.000 1.105 585 H CA 2.342 58.381 56.048 -0.015 0.000 1.219 585 H CB -0.200 29.547 29.762 -0.023 0.000 1.351 585 H HN 0.270 nan 8.280 nan 0.000 0.481 586 D N -0.290 120.179 120.400 0.115 0.000 2.149 586 D HA -0.088 4.552 4.640 0.001 0.000 0.201 586 D C 2.488 178.721 176.300 -0.112 0.000 0.972 586 D CA 0.869 54.890 54.000 0.035 0.000 0.835 586 D CB -0.070 40.763 40.800 0.056 0.000 0.966 586 D HN 0.424 nan 8.370 nan 0.000 0.476 587 L N 0.613 121.744 121.223 -0.154 0.000 2.005 587 L HA -0.144 4.196 4.340 0.001 0.000 0.207 587 L C 2.508 179.330 176.870 -0.080 0.000 1.072 587 L CA 1.065 55.727 54.840 -0.298 0.000 0.744 587 L CB -0.354 41.539 42.059 -0.277 0.000 0.895 587 L HN -0.060 nan 8.230 nan 0.000 0.433 588 K N 0.016 120.407 120.400 -0.016 0.000 2.113 588 K HA -0.219 4.102 4.320 0.001 0.000 0.208 588 K C 2.241 178.823 176.600 -0.030 0.000 1.047 588 K CA 1.372 57.670 56.287 0.018 0.000 0.928 588 K CB 0.066 32.552 32.500 -0.023 0.000 0.716 588 K HN 0.117 nan 8.250 nan 0.000 0.446 589 K N 0.573 120.903 120.400 -0.115 0.000 1.987 589 K HA -0.191 4.129 4.320 0.001 0.000 0.216 589 K C 1.910 178.386 176.600 -0.208 0.000 1.051 589 K CA 1.923 58.122 56.287 -0.148 0.000 0.942 589 K CB -0.473 31.969 32.500 -0.097 0.000 0.722 589 K HN 0.246 nan 8.250 nan 0.000 0.444 590 I N -0.710 119.598 120.570 -0.437 0.000 3.334 590 I HA 0.023 4.193 4.170 0.001 0.000 0.282 590 I C 1.876 178.065 176.117 0.119 0.000 1.313 590 I CA 0.524 61.631 61.300 -0.321 0.000 1.396 590 I CB -0.782 36.853 38.000 -0.608 0.000 1.054 590 I HN -0.062 nan 8.210 nan 0.000 0.495 591 A N 1.912 124.828 122.820 0.159 0.000 1.877 591 A HA -0.008 4.313 4.320 0.001 0.000 0.216 591 A C 0.439 178.134 177.584 0.185 0.000 1.186 591 A CA 1.491 53.670 52.037 0.237 0.000 0.620 591 A CB -1.959 17.180 19.000 0.232 0.000 0.822 591 A HN 0.370 nan 8.150 nan 0.000 0.443 592 P HA -0.209 nan 4.420 nan 0.000 0.217 592 P C 1.353 178.807 177.300 0.256 0.000 1.151 592 P CA 1.420 64.639 63.100 0.199 0.000 0.849 592 P CB -0.166 31.619 31.700 0.142 0.000 0.787 593 Y N 0.033 120.403 120.300 0.116 0.000 2.163 593 Y HA -0.180 4.370 4.550 0.001 0.000 0.288 593 Y C 2.168 178.186 175.900 0.198 0.000 1.136 593 Y CA 1.283 59.468 58.100 0.142 0.000 1.147 593 Y CB -0.902 37.627 38.460 0.114 0.000 0.987 593 Y HN -0.303 nan 8.280 nan 0.000 0.509 594 V N 0.440 120.502 119.914 0.246 0.000 2.332 594 V HA -0.362 3.759 4.120 0.001 0.000 0.248 594 V C 2.628 178.767 176.094 0.075 0.000 1.055 594 V CA 1.788 64.144 62.300 0.095 0.000 1.038 594 V CB -1.631 30.159 31.823 -0.056 0.000 0.651 594 V HN 0.566 nan 8.190 nan 0.000 0.450 595 A N -1.059 121.799 122.820 0.064 0.000 1.877 595 A HA -0.255 4.066 4.320 0.001 0.000 0.216 595 A C 2.159 179.685 177.584 -0.096 0.000 1.186 595 A CA 1.927 53.956 52.037 -0.012 0.000 0.620 595 A CB -0.771 18.220 19.000 -0.014 0.000 0.822 595 A HN 0.673 nan 8.150 nan 0.000 0.443 596 H N -1.004 118.016 119.070 -0.082 0.000 2.436 596 H HA 0.004 4.561 4.556 0.001 0.000 0.294 596 H C 1.024 176.227 175.328 -0.207 0.000 1.048 596 H CA 1.609 57.577 56.048 -0.133 0.000 1.353 596 H CB 0.073 29.754 29.762 -0.135 0.000 1.414 596 H HN 0.559 nan 8.280 nan 0.000 0.536 597 N N -0.731 117.851 118.700 -0.197 0.000 2.220 597 N HA 0.052 4.793 4.740 0.001 0.000 0.195 597 N C -0.227 174.979 175.510 -0.507 0.000 1.123 597 N CA 0.015 52.826 53.050 -0.398 0.000 0.874 597 N CB 0.529 38.576 38.487 -0.732 0.000 0.995 597 N HN 0.070 nan 8.380 nan 0.000 0.498 598 F N -0.195 119.642 119.950 -0.188 0.000 2.835 598 F HA 0.229 4.756 4.527 0.001 0.000 0.342 598 F C 1.381 177.133 175.800 -0.081 0.000 1.202 598 F CA -0.478 57.441 58.000 -0.136 0.000 1.240 598 F CB 0.275 39.165 39.000 -0.183 0.000 1.005 598 F HN -0.029 nan 8.300 nan 0.000 0.507 599 S N -0.873 114.839 115.700 0.020 0.000 2.469 599 S HA -0.169 4.302 4.470 0.001 0.000 0.238 599 S C 1.711 176.368 174.600 0.094 0.000 0.998 599 S CA 0.864 59.080 58.200 0.027 0.000 0.957 599 S CB -0.251 62.927 63.200 -0.038 0.000 0.764 599 S HN 0.385 nan 8.310 nan 0.000 0.514 600 K N 0.590 121.042 120.400 0.087 0.000 2.525 600 K HA 0.241 4.562 4.320 0.001 0.000 0.192 600 K C 0.137 176.835 176.600 0.162 0.000 1.029 600 K CA -0.025 56.343 56.287 0.135 0.000 1.029 600 K CB -0.250 32.287 32.500 0.063 0.000 0.814 600 K HN 0.448 nan 8.250 nan 0.000 0.503 601 L N 1.019 122.335 121.223 0.156 0.000 2.426 601 L HA -0.005 4.335 4.340 0.001 0.000 0.271 601 L C 1.436 178.318 176.870 0.021 0.000 1.169 601 L CA -0.255 54.649 54.840 0.106 0.000 0.836 601 L CB 0.198 42.321 42.059 0.106 0.000 1.112 601 L HN 0.028 nan 8.230 nan 0.000 0.465 602 F N 1.979 121.789 119.950 -0.235 0.000 2.095 602 F HA -0.180 4.347 4.527 0.001 0.000 0.298 602 F C 1.248 176.994 175.800 -0.091 0.000 1.104 602 F CA 1.287 59.054 58.000 -0.387 0.000 1.232 602 F CB 0.222 38.980 39.000 -0.403 0.000 0.987 602 F HN 0.632 nan 8.300 nan 0.000 0.475 603 S N -0.669 115.026 115.700 -0.009 0.000 2.655 603 S HA 0.485 4.955 4.470 0.001 0.000 0.266 603 S C -0.860 173.768 174.600 0.047 0.000 1.149 603 S CA -0.622 57.549 58.200 -0.048 0.000 0.818 603 S CB 1.144 64.289 63.200 -0.093 0.000 1.130 603 S HN 0.431 nan 8.310 nan 0.000 0.476 604 M N 0.251 119.851 119.600 -0.000 0.000 2.253 604 M HA 0.613 5.093 4.480 0.001 0.000 0.314 604 M C -0.627 175.620 176.300 -0.089 0.000 1.019 604 M CA -0.368 54.877 55.300 -0.092 0.000 0.932 604 M CB 1.847 34.279 32.600 -0.280 0.000 1.606 604 M HN 0.781 nan 8.290 nan 0.000 0.430 605 E N 3.399 123.585 120.200 -0.025 0.000 2.220 605 E HA 0.055 4.405 4.350 0.001 0.000 0.272 605 E C -0.465 176.131 176.600 -0.006 0.000 1.099 605 E CA 0.040 56.442 56.400 0.003 0.000 0.907 605 E CB 0.480 30.201 29.700 0.035 0.000 1.022 605 E HN 0.921 nan 8.360 nan 0.000 0.428 606 N N 3.987 122.673 118.700 -0.023 0.000 2.232 606 N HA 0.118 4.859 4.740 0.001 0.000 0.240 606 N C -1.238 174.417 175.510 0.242 0.000 1.307 606 N CA -0.510 52.575 53.050 0.059 0.000 0.859 606 N CB 0.131 38.494 38.487 -0.207 0.000 1.260 606 N HN 0.363 nan 8.380 nan 0.000 0.501 607 W N -0.151 121.121 121.300 -0.047 0.000 3.005 607 W HA 0.627 5.287 4.660 0.001 0.000 0.343 607 W C 0.467 176.986 176.519 0.001 0.000 1.243 607 W CA 0.709 58.039 57.345 -0.024 0.000 1.186 607 W CB 0.795 30.222 29.460 -0.054 0.000 1.453 607 W HN 0.388 nan 8.180 nan 0.000 0.575 608 G N 1.248 109.843 108.800 -0.343 0.000 2.601 608 G HA2 0.342 4.302 3.960 0.001 0.000 0.252 608 G HA3 0.342 4.302 3.960 0.001 0.000 0.252 608 G C 0.744 175.548 174.900 -0.160 0.000 1.294 608 G CA 1.227 46.166 45.100 -0.269 0.000 0.912 608 G HN 2.339 nan 8.290 nan 0.000 0.574 609 G N -1.324 107.424 108.800 -0.087 0.000 2.582 609 G HA2 0.162 4.122 3.960 0.001 0.000 0.288 609 G HA3 0.162 4.122 3.960 0.001 0.000 0.288 609 G C 1.555 176.418 174.900 -0.063 0.000 1.247 609 G CA 2.480 47.552 45.100 -0.047 0.000 0.972 609 G HN 2.556 nan 8.290 nan 0.000 0.557 610 A N -0.765 122.038 122.820 -0.028 0.000 2.208 610 A HA 0.334 4.655 4.320 0.001 0.000 0.209 610 A C 2.530 180.099 177.584 -0.026 0.000 1.161 610 A CA 2.514 54.562 52.037 0.019 0.000 0.782 610 A CB -0.850 18.189 19.000 0.065 0.000 0.816 610 A HN 2.065 nan 8.150 nan 0.000 0.477 611 T N -3.075 111.426 114.554 -0.088 0.000 2.833 611 T HA -0.189 4.161 4.350 0.001 0.000 0.269 611 T C 1.639 176.230 174.700 -0.182 0.000 1.054 611 T CA 1.404 63.438 62.100 -0.109 0.000 1.135 611 T CB -0.576 68.229 68.868 -0.104 0.000 0.869 611 T HN 0.313 nan 8.240 nan 0.000 0.466 612 F N 2.724 122.444 119.950 -0.384 0.000 2.051 612 F HA -0.085 4.443 4.527 0.001 0.000 0.296 612 F C 2.334 177.925 175.800 -0.347 0.000 1.122 612 F CA 2.059 59.803 58.000 -0.427 0.000 1.201 612 F CB -0.463 38.274 39.000 -0.439 0.000 0.978 612 F HN 0.100 nan 8.300 nan 0.000 0.472 613 D N 0.053 120.412 120.400 -0.068 0.000 2.087 613 D HA -0.175 4.466 4.640 0.001 0.000 0.192 613 D C 2.288 178.408 176.300 -0.300 0.000 0.993 613 D CA 2.015 55.803 54.000 -0.354 0.000 0.828 613 D CB -0.539 40.177 40.800 -0.139 0.000 0.968 613 D HN 0.177 nan 8.370 nan 0.000 0.448 614 V N 1.390 121.239 119.914 -0.110 0.000 2.332 614 V HA -0.252 3.868 4.120 0.001 0.000 0.248 614 V C 2.735 178.747 176.094 -0.136 0.000 1.055 614 V CA 1.926 64.235 62.300 0.015 0.000 1.038 614 V CB -1.067 30.806 31.823 0.083 0.000 0.651 614 V HN 0.339 nan 8.190 nan 0.000 0.450 615 A N -0.487 122.191 122.820 -0.238 0.000 1.908 615 A HA -0.258 4.062 4.320 0.001 0.000 0.218 615 A C 2.238 179.551 177.584 -0.452 0.000 1.181 615 A CA 2.465 54.322 52.037 -0.300 0.000 0.627 615 A CB -0.426 18.387 19.000 -0.312 0.000 0.818 615 A HN 0.530 nan 8.150 nan 0.000 0.445 616 M N -2.139 117.103 119.600 -0.596 0.000 2.287 616 M HA 0.021 4.501 4.480 0.001 0.000 0.266 616 M C 2.405 178.325 176.300 -0.634 0.000 1.079 616 M CA 1.192 56.008 55.300 -0.805 0.000 1.146 616 M CB -0.203 31.938 32.600 -0.764 0.000 1.374 616 M HN 0.402 nan 8.290 nan 0.000 0.435 617 R N -0.164 119.962 120.500 -0.622 0.000 2.115 617 R HA -0.029 4.312 4.340 0.001 0.000 0.226 617 R C 1.101 176.730 176.300 -1.119 0.000 1.100 617 R CA 1.377 56.991 56.100 -0.809 0.000 0.980 617 R CB 0.315 30.043 30.300 -0.954 0.000 0.875 617 R HN 0.317 nan 8.270 nan 0.000 0.445 618 F N -1.974 117.588 119.950 -0.647 0.000 2.729 618 F HA 0.177 4.704 4.527 0.001 0.000 0.304 618 F C 1.449 176.953 175.800 -0.493 0.000 1.008 618 F CA -0.331 57.338 58.000 -0.551 0.000 1.188 618 F CB 0.563 39.391 39.000 -0.286 0.000 0.980 618 F HN -0.151 nan 8.300 nan 0.000 0.627 619 L N -1.247 119.820 121.223 -0.260 0.000 2.590 619 L HA 0.158 4.499 4.340 0.001 0.000 0.227 619 L C -0.133 176.725 176.870 -0.019 0.000 1.099 619 L CA 0.039 54.812 54.840 -0.112 0.000 0.872 619 L CB -0.329 41.611 42.059 -0.198 0.000 1.088 619 L HN 0.157 nan 8.230 nan 0.000 0.479 620 Y N 0.682 120.976 120.300 -0.011 0.000 3.168 620 Y HA -0.280 4.271 4.550 0.001 0.000 0.207 620 Y C 0.301 176.355 175.900 0.257 0.000 1.280 620 Y CA 0.142 58.322 58.100 0.134 0.000 1.235 620 Y CB -2.034 36.473 38.460 0.080 0.000 1.370 620 Y HN 0.395 nan 8.280 nan 0.000 0.537 621 E N -0.729 119.483 120.200 0.020 0.000 2.288 621 E HA 0.437 4.787 4.350 0.001 0.000 0.268 621 E C -0.746 175.738 176.600 -0.192 0.000 0.885 621 E CA -1.098 55.326 56.400 0.040 0.000 0.767 621 E CB 2.124 31.796 29.700 -0.046 0.000 1.220 621 E HN 0.281 nan 8.360 nan 0.000 0.427 622 C N 3.816 123.175 119.300 0.098 0.000 2.632 622 C HA 0.212 4.673 4.460 0.001 0.000 0.415 622 C C -1.285 173.718 174.990 0.022 0.000 1.332 622 C CA -1.559 57.516 59.018 0.094 0.000 1.874 622 C CB -0.140 27.824 27.740 0.374 0.000 2.596 622 C HN 0.625 nan 8.230 nan 0.000 0.590 623 P HA 0.032 nan 4.420 nan 0.000 0.224 623 P C 1.017 178.477 177.300 0.266 0.000 1.157 623 P CA 1.225 64.269 63.100 -0.094 0.000 0.799 623 P CB 0.004 31.332 31.700 -0.620 0.000 0.809 624 W N 0.345 121.835 121.300 0.317 0.000 2.388 624 W HA 0.007 4.668 4.660 0.001 0.000 0.294 624 W C 2.658 179.276 176.519 0.165 0.000 1.212 624 W CA 0.397 57.924 57.345 0.304 0.000 1.271 624 W CB -0.702 28.904 29.460 0.243 0.000 1.126 624 W HN -0.169 nan 8.180 nan 0.000 0.535 625 R N 0.549 121.275 120.500 0.376 0.000 2.083 625 R HA -0.159 4.181 4.340 0.001 0.000 0.237 625 R C 2.155 178.570 176.300 0.191 0.000 1.137 625 R CA 1.654 57.900 56.100 0.244 0.000 0.951 625 R CB -0.780 29.649 30.300 0.215 0.000 0.851 625 R HN 0.259 nan 8.270 nan 0.000 0.434 626 R N 0.729 121.348 120.500 0.198 0.000 2.091 626 R HA -0.177 4.163 4.340 0.001 0.000 0.238 626 R C 2.349 178.739 176.300 0.150 0.000 1.136 626 R CA 1.555 57.761 56.100 0.176 0.000 0.959 626 R CB -0.399 30.026 30.300 0.207 0.000 0.856 626 R HN 0.120 nan 8.270 nan 0.000 0.437 627 L N 1.264 122.542 121.223 0.091 0.000 1.994 627 L HA -0.185 4.155 4.340 0.001 0.000 0.208 627 L C 2.112 179.012 176.870 0.050 0.000 1.071 627 L CA 1.873 56.643 54.840 -0.116 0.000 0.745 627 L CB -0.556 41.118 42.059 -0.641 0.000 0.892 627 L HN 0.237 nan 8.230 nan 0.000 0.431 628 Q N -0.711 119.129 119.800 0.067 0.000 2.124 628 Q HA -0.245 4.096 4.340 0.001 0.000 0.202 628 Q C 2.241 178.294 176.000 0.088 0.000 0.977 628 Q CA 1.966 57.810 55.803 0.069 0.000 0.850 628 Q CB -0.190 28.597 28.738 0.081 0.000 0.901 628 Q HN 0.640 nan 8.270 nan 0.000 0.429 629 E N 0.357 120.624 120.200 0.112 0.000 2.107 629 E HA -0.095 4.255 4.350 0.001 0.000 0.191 629 E C 1.695 178.376 176.600 0.134 0.000 0.982 629 E CA 0.489 56.953 56.400 0.107 0.000 0.809 629 E CB 0.146 29.909 29.700 0.105 0.000 0.756 629 E HN 0.283 nan 8.360 nan 0.000 0.459 630 L N 0.246 121.583 121.223 0.189 0.000 2.240 630 L HA -0.048 4.292 4.340 0.001 0.000 0.211 630 L C 2.491 179.590 176.870 0.381 0.000 1.106 630 L CA 0.300 55.301 54.840 0.268 0.000 0.793 630 L CB -0.173 42.034 42.059 0.246 0.000 0.927 630 L HN 0.027 nan 8.230 nan 0.000 0.446 631 R N 1.163 121.848 120.500 0.308 0.000 2.073 631 R HA -0.173 4.167 4.340 0.001 0.000 0.234 631 R C 1.947 178.220 176.300 -0.045 0.000 1.134 631 R CA 1.650 57.749 56.100 -0.001 0.000 0.952 631 R CB -0.411 29.823 30.300 -0.111 0.000 0.850 631 R HN 0.370 nan 8.270 nan 0.000 0.433 632 E N -0.285 119.923 120.200 0.013 0.000 2.204 632 E HA -0.143 4.207 4.350 0.001 0.000 0.195 632 E C 1.789 178.401 176.600 0.020 0.000 0.990 632 E CA 1.213 57.615 56.400 0.003 0.000 0.821 632 E CB -0.071 29.641 29.700 0.020 0.000 0.750 632 E HN 0.321 nan 8.360 nan 0.000 0.477 633 L N 0.132 121.394 121.223 0.065 0.000 2.375 633 L HA 0.122 4.462 4.340 0.001 0.000 0.215 633 L C 0.712 177.627 176.870 0.076 0.000 1.108 633 L CA 0.300 55.189 54.840 0.081 0.000 0.830 633 L CB 0.438 42.565 42.059 0.113 0.000 0.959 633 L HN 0.025 nan 8.230 nan 0.000 0.457 634 I N 0.893 121.509 120.570 0.076 0.000 2.623 634 I HA 0.174 4.344 4.170 0.001 0.000 0.275 634 I C -1.759 174.286 176.117 -0.120 0.000 1.108 634 I CA -1.066 60.260 61.300 0.044 0.000 1.120 634 I CB 1.797 39.936 38.000 0.232 0.000 1.249 634 I HN -0.175 nan 8.210 nan 0.000 0.500 635 P HA -0.005 nan 4.420 nan 0.000 0.235 635 P C 0.538 177.727 177.300 -0.186 0.000 1.177 635 P CA 1.037 64.029 63.100 -0.179 0.000 0.785 635 P CB 0.241 31.863 31.700 -0.129 0.000 0.885 636 N N -0.033 118.579 118.700 -0.147 0.000 2.407 636 N HA 0.054 4.794 4.740 0.001 0.000 0.182 636 N C 0.602 176.061 175.510 -0.084 0.000 1.079 636 N CA 0.058 53.036 53.050 -0.120 0.000 0.882 636 N CB -0.431 37.987 38.487 -0.114 0.000 1.106 636 N HN 0.154 nan 8.380 nan 0.000 0.461 637 I N 2.026 122.558 120.570 -0.063 0.000 2.353 637 I HA 0.324 4.495 4.170 0.001 0.000 0.293 637 I C -2.371 173.718 176.117 -0.048 0.000 0.992 637 I CA -2.340 58.956 61.300 -0.007 0.000 1.268 637 I CB 1.482 39.508 38.000 0.045 0.000 1.387 637 I HN -0.225 nan 8.210 nan 0.000 0.478 638 P HA 0.074 nan 4.420 nan 0.000 0.268 638 P C -0.786 176.562 177.300 0.080 0.000 1.205 638 P CA 0.043 63.044 63.100 -0.165 0.000 0.771 638 P CB 0.280 31.764 31.700 -0.359 0.000 0.858 639 F N 1.832 121.653 119.950 -0.214 0.000 2.375 639 F HA 0.416 4.943 4.527 0.001 0.000 0.333 639 F C 0.933 176.631 175.800 -0.170 0.000 1.104 639 F CA -0.435 57.456 58.000 -0.180 0.000 1.149 639 F CB 0.709 39.593 39.000 -0.194 0.000 1.190 639 F HN 0.266 nan 8.300 nan 0.000 0.533 640 Q N 3.420 123.246 119.800 0.044 0.000 2.337 640 Q HA 0.460 4.801 4.340 0.001 0.000 0.270 640 Q C -1.207 174.810 176.000 0.028 0.000 1.043 640 Q CA -0.634 55.184 55.803 0.025 0.000 0.794 640 Q CB 2.400 31.204 28.738 0.111 0.000 1.281 640 Q HN 0.768 nan 8.270 nan 0.000 0.446 641 M N 3.564 123.158 119.600 -0.009 0.000 2.528 641 M HA 0.429 4.909 4.480 0.001 0.000 0.318 641 M C -1.509 174.845 176.300 0.091 0.000 1.195 641 M CA -1.027 54.316 55.300 0.071 0.000 1.000 641 M CB 1.220 33.815 32.600 -0.008 0.000 1.615 641 M HN 0.715 nan 8.290 nan 0.000 0.469 642 L N 4.589 125.874 121.223 0.102 0.000 2.295 642 L HA 0.484 4.825 4.340 0.001 0.000 0.281 642 L C -1.721 175.233 176.870 0.141 0.000 1.018 642 L CA -0.341 54.569 54.840 0.117 0.000 0.841 642 L CB 1.175 43.270 42.059 0.061 0.000 1.218 642 L HN 0.649 nan 8.230 nan 0.000 0.424 643 L N 4.811 126.142 121.223 0.180 0.000 2.282 643 L HA 0.524 4.865 4.340 0.001 0.000 0.288 643 L C 0.604 177.449 176.870 -0.043 0.000 1.033 643 L CA -0.024 54.870 54.840 0.090 0.000 0.807 643 L CB 1.207 43.385 42.059 0.199 0.000 1.209 643 L HN 0.589 nan 8.230 nan 0.000 0.423 644 R N 4.186 124.554 120.500 -0.219 0.000 2.823 644 R HA 0.303 4.644 4.340 0.001 0.000 0.250 644 R C 1.043 177.092 176.300 -0.419 0.000 1.332 644 R CA 0.479 56.264 56.100 -0.525 0.000 1.259 644 R CB -0.627 29.434 30.300 -0.398 0.000 1.225 644 R HN 1.054 nan 8.270 nan 0.000 0.545 645 G N 1.087 109.727 108.800 -0.266 0.000 2.565 645 G HA2 -0.479 3.481 3.960 0.001 0.000 0.295 645 G HA3 -0.479 3.481 3.960 0.001 0.000 0.295 645 G C 0.942 175.771 174.900 -0.118 0.000 1.165 645 G CA 0.211 45.212 45.100 -0.164 0.000 0.977 645 G HN 0.395 nan 8.290 nan 0.000 0.546 646 A N 0.012 122.792 122.820 -0.068 0.000 2.067 646 A HA 0.048 4.368 4.320 0.001 0.000 0.219 646 A C 2.017 179.615 177.584 0.022 0.000 1.158 646 A CA 2.228 54.262 52.037 -0.005 0.000 0.661 646 A CB -0.557 18.461 19.000 0.031 0.000 0.801 646 A HN 0.743 nan 8.150 nan 0.000 0.452 647 N N -0.521 118.145 118.700 -0.056 0.000 2.512 647 N HA 0.266 5.006 4.740 0.001 0.000 0.183 647 N C 1.190 176.645 175.510 -0.091 0.000 1.073 647 N CA 0.751 53.775 53.050 -0.044 0.000 0.911 647 N CB -0.190 38.215 38.487 -0.138 0.000 0.964 647 N HN 0.627 nan 8.380 nan 0.000 0.447 648 A N 0.019 122.704 122.820 -0.225 0.000 5.175 648 A HA -0.318 4.002 4.320 0.001 0.000 0.332 648 A C 0.929 178.198 177.584 -0.525 0.000 1.800 648 A CA 2.251 54.006 52.037 -0.471 0.000 0.707 648 A CB -1.577 16.947 19.000 -0.793 0.000 1.405 648 A HN 0.536 nan 8.150 nan 0.000 0.388 649 V N -2.323 117.149 119.914 -0.737 0.000 2.887 649 V HA 0.698 4.819 4.120 0.001 0.000 0.370 649 V C 0.667 176.472 176.094 -0.482 0.000 1.322 649 V CA 0.761 62.701 62.300 -0.599 0.000 1.267 649 V CB -0.661 30.673 31.823 -0.814 0.000 1.344 649 V HN 2.010 nan 8.190 nan 0.000 0.573 650 G N -0.186 108.327 108.800 -0.479 0.000 3.262 650 G HA2 0.582 4.542 3.960 0.001 0.000 0.229 650 G HA3 0.582 4.542 3.960 0.001 0.000 0.229 650 G C -0.601 173.856 174.900 -0.739 0.000 1.280 650 G CA -0.524 44.243 45.100 -0.555 0.000 0.951 650 G HN 0.155 nan 8.290 nan 0.000 0.589 651 Y N -1.172 119.134 120.300 0.009 0.000 2.563 651 Y HA 0.471 5.021 4.550 0.001 0.000 0.250 651 Y C 1.069 176.948 175.900 -0.035 0.000 1.126 651 Y CA -0.031 58.073 58.100 0.007 0.000 1.231 651 Y CB 1.390 39.873 38.460 0.039 0.000 1.288 651 Y HN 0.530 nan 8.280 nan 0.000 0.537 652 T N -0.155 114.376 114.554 -0.038 0.000 2.812 652 T HA 0.348 4.698 4.350 0.001 0.000 0.294 652 T C -1.181 173.370 174.700 -0.249 0.000 1.159 652 T CA -0.764 61.282 62.100 -0.090 0.000 1.008 652 T CB 1.063 69.897 68.868 -0.057 0.000 1.289 652 T HN 0.093 nan 8.240 nan 0.000 0.514 653 N N 1.096 119.697 118.700 -0.166 0.000 2.520 653 N HA 0.320 5.060 4.740 0.001 0.000 0.273 653 N C -1.293 174.052 175.510 -0.275 0.000 1.155 653 N CA -0.059 52.903 53.050 -0.146 0.000 0.967 653 N CB 0.707 39.163 38.487 -0.052 0.000 1.092 653 N HN 0.415 nan 8.380 nan 0.000 0.457 654 Y N 1.111 121.375 120.300 -0.059 0.000 2.457 654 Y HA 0.338 4.889 4.550 0.001 0.000 0.333 654 Y C -1.852 174.035 175.900 -0.021 0.000 1.119 654 Y CA -2.101 55.967 58.100 -0.054 0.000 1.143 654 Y CB 0.910 39.316 38.460 -0.090 0.000 1.230 654 Y HN 0.441 nan 8.280 nan 0.000 0.469 655 P HA 0.002 nan 4.420 nan 0.000 0.266 655 P C -0.189 177.195 177.300 0.139 0.000 1.195 655 P CA 0.276 63.441 63.100 0.109 0.000 0.768 655 P CB 0.825 32.581 31.700 0.093 0.000 0.838 656 D N 1.729 122.207 120.400 0.130 0.000 2.116 656 D HA -0.206 4.435 4.640 0.001 0.000 0.193 656 D C 1.682 178.141 176.300 0.264 0.000 0.998 656 D CA 1.510 55.638 54.000 0.214 0.000 0.836 656 D CB -0.511 40.390 40.800 0.169 0.000 0.951 656 D HN 0.507 nan 8.370 nan 0.000 0.449 657 N N 0.830 119.606 118.700 0.127 0.000 2.205 657 N HA -0.144 4.597 4.740 0.001 0.000 0.186 657 N C 1.724 177.330 175.510 0.160 0.000 1.015 657 N CA 1.138 54.250 53.050 0.103 0.000 0.862 657 N CB -0.653 37.854 38.487 0.034 0.000 0.986 657 N HN 0.188 nan 8.380 nan 0.000 0.429 658 V N 0.926 120.927 119.914 0.145 0.000 2.323 658 V HA -0.130 3.991 4.120 0.001 0.000 0.244 658 V C 2.758 178.934 176.094 0.138 0.000 1.041 658 V CA 1.135 63.506 62.300 0.119 0.000 1.025 658 V CB -0.499 31.362 31.823 0.064 0.000 0.656 658 V HN 0.127 nan 8.190 nan 0.000 0.451 659 V N -0.664 119.325 119.914 0.126 0.000 2.343 659 V HA -0.254 3.867 4.120 0.001 0.000 0.247 659 V C 2.224 178.400 176.094 0.136 0.000 1.051 659 V CA 2.138 64.484 62.300 0.077 0.000 1.036 659 V CB -0.841 31.001 31.823 0.032 0.000 0.654 659 V HN 0.403 nan 8.190 nan 0.000 0.451 660 F N 0.623 120.612 119.950 0.066 0.000 2.075 660 F HA -0.178 4.349 4.527 0.001 0.000 0.297 660 F C 2.486 178.332 175.800 0.076 0.000 1.113 660 F CA 2.223 60.253 58.000 0.049 0.000 1.218 660 F CB -0.353 38.662 39.000 0.023 0.000 0.984 660 F HN 0.032 nan 8.300 nan 0.000 0.472 661 K N 0.016 120.592 120.400 0.293 0.000 2.147 661 K HA -0.194 4.126 4.320 0.001 0.000 0.205 661 K C 1.918 178.650 176.600 0.219 0.000 1.049 661 K CA 1.168 57.576 56.287 0.202 0.000 0.936 661 K CB -0.867 31.725 32.500 0.152 0.000 0.722 661 K HN 0.223 nan 8.250 nan 0.000 0.446 662 F N 0.069 120.102 119.950 0.139 0.000 2.134 662 F HA -0.244 4.283 4.527 0.001 0.000 0.299 662 F C 1.817 177.797 175.800 0.299 0.000 1.097 662 F CA 1.546 59.679 58.000 0.223 0.000 1.264 662 F CB -0.359 38.706 39.000 0.110 0.000 1.001 662 F HN 0.057 nan 8.300 nan 0.000 0.479 663 C N 0.078 119.538 119.300 0.267 0.000 2.450 663 C HA -0.093 4.367 4.460 0.001 0.000 0.279 663 C C 2.653 177.699 174.990 0.093 0.000 1.335 663 C CA 0.983 60.093 59.018 0.153 0.000 1.749 663 C CB -1.109 26.517 27.740 -0.189 0.000 1.963 663 C HN 0.615 nan 8.230 nan 0.000 0.501 664 E N 1.139 121.383 120.200 0.073 0.000 2.007 664 E HA -0.224 4.127 4.350 0.001 0.000 0.194 664 E C 2.219 178.855 176.600 0.060 0.000 0.999 664 E CA 1.926 58.361 56.400 0.059 0.000 0.811 664 E CB -0.224 29.512 29.700 0.060 0.000 0.762 664 E HN 0.412 nan 8.360 nan 0.000 0.450 665 V N 0.370 120.303 119.914 0.032 0.000 2.594 665 V HA -0.152 3.968 4.120 0.001 0.000 0.253 665 V C 2.144 178.280 176.094 0.071 0.000 1.069 665 V CA 2.055 64.343 62.300 -0.021 0.000 1.082 665 V CB -0.523 31.194 31.823 -0.177 0.000 0.680 665 V HN 0.425 nan 8.190 nan 0.000 0.469 666 A N 0.040 122.954 122.820 0.158 0.000 1.877 666 A HA -0.181 4.139 4.320 0.001 0.000 0.216 666 A C 2.331 179.965 177.584 0.084 0.000 1.186 666 A CA 2.011 54.121 52.037 0.122 0.000 0.620 666 A CB -0.745 18.321 19.000 0.111 0.000 0.822 666 A HN 0.495 nan 8.150 nan 0.000 0.443 667 K N 0.120 120.649 120.400 0.214 0.000 2.009 667 K HA -0.163 4.158 4.320 0.001 0.000 0.210 667 K C 1.659 178.279 176.600 0.034 0.000 1.049 667 K CA 1.971 58.357 56.287 0.165 0.000 0.929 667 K CB -0.435 32.160 32.500 0.158 0.000 0.714 667 K HN 0.697 nan 8.250 nan 0.000 0.440 668 E N -0.252 119.962 120.200 0.022 0.000 2.516 668 E HA -0.091 4.260 4.350 0.001 0.000 0.199 668 E C 0.834 177.416 176.600 -0.030 0.000 1.069 668 E CA 0.509 56.901 56.400 -0.014 0.000 0.876 668 E CB -0.075 29.614 29.700 -0.018 0.000 0.843 668 E HN 0.378 nan 8.360 nan 0.000 0.530 669 N N -1.087 117.595 118.700 -0.029 0.000 2.184 669 N HA 0.120 4.860 4.740 0.001 0.000 0.206 669 N C 0.659 176.109 175.510 -0.100 0.000 1.151 669 N CA 0.335 53.361 53.050 -0.039 0.000 0.878 669 N CB 1.657 40.163 38.487 0.031 0.000 1.014 669 N HN 0.159 nan 8.380 nan 0.000 0.512 670 G N 0.380 109.102 108.800 -0.130 0.000 2.198 670 G HA2 -0.192 3.769 3.960 0.001 0.000 0.156 670 G HA3 -0.192 3.769 3.960 0.001 0.000 0.156 670 G C -0.178 174.597 174.900 -0.209 0.000 1.012 670 G CA -0.618 44.359 45.100 -0.204 0.000 0.692 670 G HN 0.091 nan 8.290 nan 0.000 0.492 671 M N 2.321 121.809 119.600 -0.188 0.000 2.227 671 M HA 0.450 4.931 4.480 0.001 0.000 0.349 671 M C 0.843 177.031 176.300 -0.186 0.000 1.443 671 M CA -0.030 55.115 55.300 -0.258 0.000 1.110 671 M CB 0.615 32.923 32.600 -0.487 0.000 1.773 671 M HN 0.136 nan 8.290 nan 0.000 0.463 672 D N 2.824 123.107 120.400 -0.195 0.000 2.566 672 D HA 0.125 4.765 4.640 0.001 0.000 0.253 672 D C -0.252 175.998 176.300 -0.084 0.000 0.992 672 D CA 0.835 54.741 54.000 -0.157 0.000 0.940 672 D CB 0.338 40.982 40.800 -0.260 0.000 1.095 672 D HN 0.372 nan 8.370 nan 0.000 0.480 673 V N 1.945 121.786 119.914 -0.122 0.000 2.370 673 V HA 0.275 4.396 4.120 0.001 0.000 0.283 673 V C -0.682 175.409 176.094 -0.005 0.000 1.023 673 V CA -0.593 61.732 62.300 0.041 0.000 0.857 673 V CB 1.170 33.044 31.823 0.084 0.000 0.985 673 V HN -0.049 nan 8.190 nan 0.000 0.443 674 F N 4.186 124.213 119.950 0.129 0.000 2.335 674 F HA 0.458 4.985 4.527 0.001 0.000 0.365 674 F C 0.863 176.749 175.800 0.143 0.000 1.122 674 F CA -0.436 57.647 58.000 0.139 0.000 1.151 674 F CB 0.694 39.764 39.000 0.116 0.000 1.282 674 F HN 0.366 nan 8.300 nan 0.000 0.513 675 R N 3.482 124.131 120.500 0.248 0.000 2.288 675 R HA 0.390 4.730 4.340 0.001 0.000 0.330 675 R C -1.252 175.184 176.300 0.227 0.000 1.069 675 R CA -0.158 56.059 56.100 0.195 0.000 0.941 675 R CB 0.416 30.772 30.300 0.094 0.000 0.998 675 R HN 0.458 nan 8.270 nan 0.000 0.452 676 V N 7.207 127.247 119.914 0.208 0.000 2.398 676 V HA 0.477 4.597 4.120 0.001 0.000 0.286 676 V C -0.394 175.844 176.094 0.240 0.000 1.026 676 V CA -0.514 61.895 62.300 0.181 0.000 0.868 676 V CB 0.893 32.776 31.823 0.099 0.000 0.982 676 V HN 0.695 nan 8.190 nan 0.000 0.443 677 F N 2.100 122.066 119.950 0.027 0.000 2.643 677 F HA 0.867 5.395 4.527 0.001 0.000 0.314 677 F C -1.184 174.643 175.800 0.045 0.000 1.096 677 F CA -1.488 56.532 58.000 0.033 0.000 0.953 677 F CB 1.934 40.949 39.000 0.026 0.000 1.345 677 F HN 0.470 nan 8.300 nan 0.000 0.468 678 D N 0.358 120.731 120.400 -0.045 0.000 2.649 678 D HA 0.328 4.969 4.640 0.001 0.000 0.249 678 D C 0.648 177.020 176.300 0.121 0.000 1.112 678 D CA -0.074 53.854 54.000 -0.120 0.000 0.850 678 D CB 2.270 43.092 40.800 0.037 0.000 1.399 678 D HN 0.761 nan 8.370 nan 0.000 0.503 679 S N 3.312 119.052 115.700 0.066 0.000 2.387 679 S HA -0.197 4.274 4.470 0.001 0.000 0.230 679 S C 1.481 176.208 174.600 0.211 0.000 1.035 679 S CA 0.887 59.225 58.200 0.229 0.000 1.014 679 S CB -0.388 62.908 63.200 0.160 0.000 0.836 679 S HN 0.630 nan 8.310 nan 0.000 0.466 680 L N 0.875 122.220 121.223 0.202 0.000 2.653 680 L HA 0.300 4.640 4.340 0.001 0.000 0.231 680 L C 0.514 177.539 176.870 0.257 0.000 1.153 680 L CA -0.146 54.826 54.840 0.220 0.000 0.933 680 L CB -0.663 41.526 42.059 0.217 0.000 1.175 680 L HN 0.193 nan 8.230 nan 0.000 0.473 681 N N -0.331 118.520 118.700 0.251 0.000 2.690 681 N HA -0.300 4.441 4.740 0.001 0.000 0.249 681 N C 0.061 175.706 175.510 0.225 0.000 1.125 681 N CA 0.858 54.054 53.050 0.243 0.000 0.794 681 N CB -1.414 37.245 38.487 0.286 0.000 1.152 681 N HN 0.413 nan 8.380 nan 0.000 0.571 682 Y N 1.708 122.074 120.300 0.111 0.000 2.754 682 Y HA 0.040 4.590 4.550 0.001 0.000 0.349 682 Y C 1.600 177.533 175.900 0.054 0.000 1.179 682 Y CA -0.076 58.074 58.100 0.083 0.000 1.538 682 Y CB -0.132 38.368 38.460 0.067 0.000 1.200 682 Y HN 0.165 nan 8.280 nan 0.000 0.522 683 L N 8.897 129.942 121.223 -0.296 0.000 1.997 683 L HA -0.156 4.184 4.340 0.001 0.000 0.216 683 L C -0.984 175.679 176.870 -0.345 0.000 1.074 683 L CA 2.166 56.845 54.840 -0.268 0.000 0.763 683 L CB -1.445 40.494 42.059 -0.201 0.000 0.890 683 L HN 0.545 nan 8.230 nan 0.000 0.434 684 P HA -0.109 nan 4.420 nan 0.000 0.218 684 P C 1.151 178.350 177.300 -0.167 0.000 1.148 684 P CA 1.431 64.316 63.100 -0.357 0.000 0.822 684 P CB -0.120 31.333 31.700 -0.413 0.000 0.784 685 N N -0.668 117.960 118.700 -0.119 0.000 2.188 685 N HA -0.096 4.644 4.740 0.001 0.000 0.184 685 N C 1.619 177.129 175.510 0.001 0.000 1.018 685 N CA 1.211 54.307 53.050 0.077 0.000 0.858 685 N CB -0.650 38.000 38.487 0.272 0.000 0.989 685 N HN 0.224 nan 8.380 nan 0.000 0.426 686 M N -1.485 118.099 119.600 -0.026 0.000 2.506 686 M HA 0.102 4.582 4.480 0.001 0.000 0.260 686 M C 1.379 177.651 176.300 -0.045 0.000 1.104 686 M CA 1.028 56.310 55.300 -0.029 0.000 1.112 686 M CB -0.258 32.344 32.600 0.003 0.000 1.401 686 M HN -0.036 nan 8.290 nan 0.000 0.473 687 L N 0.643 121.830 121.223 -0.061 0.000 2.156 687 L HA -0.112 4.229 4.340 0.001 0.000 0.208 687 L C 2.566 179.407 176.870 -0.049 0.000 1.095 687 L CA 0.389 55.195 54.840 -0.058 0.000 0.770 687 L CB -0.626 41.395 42.059 -0.063 0.000 0.914 687 L HN 0.350 nan 8.230 nan 0.000 0.439 688 L N 0.433 121.634 121.223 -0.037 0.000 1.988 688 L HA -0.038 4.302 4.340 0.001 0.000 0.207 688 L C 2.386 179.173 176.870 -0.138 0.000 1.071 688 L CA 2.308 57.132 54.840 -0.028 0.000 0.744 688 L CB -1.324 40.748 42.059 0.022 0.000 0.893 688 L HN 0.097 nan 8.230 nan 0.000 0.433 689 G N -0.776 107.951 108.800 -0.121 0.000 2.450 689 G HA2 -0.311 3.649 3.960 0.001 0.000 0.220 689 G HA3 -0.311 3.649 3.960 0.001 0.000 0.220 689 G C 1.567 176.361 174.900 -0.175 0.000 1.130 689 G CA 1.192 46.199 45.100 -0.155 0.000 0.760 689 G HN 0.436 nan 8.290 nan 0.000 0.557 690 M N 0.686 120.210 119.600 -0.126 0.000 2.067 690 M HA -0.058 4.422 4.480 0.001 0.000 0.260 690 M C 2.741 178.940 176.300 -0.168 0.000 1.069 690 M CA 2.034 57.265 55.300 -0.116 0.000 1.117 690 M CB -0.296 32.257 32.600 -0.079 0.000 1.334 690 M HN 0.531 nan 8.290 nan 0.000 0.407 691 E N 0.270 120.371 120.200 -0.165 0.000 2.106 691 E HA -0.150 4.200 4.350 0.001 0.000 0.192 691 E C 1.878 178.270 176.600 -0.347 0.000 0.984 691 E CA 1.306 57.621 56.400 -0.142 0.000 0.806 691 E CB -0.437 29.274 29.700 0.019 0.000 0.750 691 E HN 0.489 nan 8.360 nan 0.000 0.458 692 A N 1.524 123.887 122.820 -0.762 0.000 2.019 692 A HA 0.063 4.383 4.320 0.001 0.000 0.219 692 A C 2.400 179.626 177.584 -0.597 0.000 1.164 692 A CA 1.521 52.849 52.037 -1.182 0.000 0.644 692 A CB -0.483 17.731 19.000 -1.311 0.000 0.805 692 A HN 0.410 nan 8.150 nan 0.000 0.449 693 A N -0.791 121.740 122.820 -0.481 0.000 1.975 693 A HA 0.316 4.636 4.320 0.001 0.000 0.215 693 A C 2.275 179.636 177.584 -0.371 0.000 1.170 693 A CA 1.380 53.057 52.037 -0.600 0.000 0.656 693 A CB -0.966 17.772 19.000 -0.436 0.000 0.821 693 A HN 0.592 nan 8.150 nan 0.000 0.449 694 G N -0.398 108.279 108.800 -0.204 0.000 2.404 694 G HA2 -0.113 3.848 3.960 0.001 0.000 0.215 694 G HA3 -0.113 3.848 3.960 0.001 0.000 0.215 694 G C 1.787 176.665 174.900 -0.037 0.000 1.174 694 G CA 1.239 46.299 45.100 -0.066 0.000 0.780 694 G HN 0.447 nan 8.290 nan 0.000 0.537 695 S N 1.249 116.927 115.700 -0.038 0.000 2.359 695 S HA -0.112 4.359 4.470 0.001 0.000 0.224 695 S C 2.777 177.379 174.600 0.002 0.000 1.035 695 S CA 1.349 59.573 58.200 0.040 0.000 1.018 695 S CB -0.473 62.835 63.200 0.180 0.000 0.876 695 S HN 0.591 nan 8.310 nan 0.000 0.448 696 A N 0.439 123.210 122.820 -0.080 0.000 1.978 696 A HA 0.264 4.584 4.320 0.001 0.000 0.220 696 A C 1.847 179.411 177.584 -0.034 0.000 1.170 696 A CA 1.571 53.560 52.037 -0.080 0.000 0.636 696 A CB -1.037 17.831 19.000 -0.220 0.000 0.810 696 A HN 1.215 nan 8.150 nan 0.000 0.448 697 G N -2.578 106.201 108.800 -0.034 0.000 2.130 697 G HA2 0.094 4.054 3.960 0.001 0.000 0.216 697 G HA3 0.094 4.054 3.960 0.001 0.000 0.216 697 G C 0.572 175.498 174.900 0.044 0.000 0.999 697 G CA 0.321 45.431 45.100 0.016 0.000 0.686 697 G HN 1.363 nan 8.290 nan 0.000 0.515 698 G N -1.213 107.629 108.800 0.071 0.000 2.522 698 G HA2 0.651 4.611 3.960 0.001 0.000 0.304 698 G HA3 0.651 4.611 3.960 0.001 0.000 0.304 698 G C 0.306 175.332 174.900 0.209 0.000 1.210 698 G CA -0.116 45.124 45.100 0.234 0.000 0.960 698 G HN 0.900 nan 8.290 nan 0.000 0.497 699 V N 0.162 120.201 119.914 0.209 0.000 2.521 699 V HA 0.121 4.242 4.120 0.001 0.000 0.286 699 V C 0.306 176.660 176.094 0.434 0.000 1.034 699 V CA -0.240 62.219 62.300 0.266 0.000 1.045 699 V CB 1.195 33.131 31.823 0.188 0.000 0.974 699 V HN 0.368 nan 8.190 nan 0.000 0.480 700 V N 5.275 125.537 119.914 0.581 0.000 2.348 700 V HA 0.280 4.400 4.120 0.001 0.000 0.270 700 V C 0.315 176.558 176.094 0.248 0.000 1.037 700 V CA -0.296 62.179 62.300 0.291 0.000 0.872 700 V CB 1.155 33.005 31.823 0.045 0.000 1.002 700 V HN 0.971 nan 8.190 nan 0.000 0.464 701 E N 4.423 124.769 120.200 0.244 0.000 2.173 701 E HA 0.591 4.942 4.350 0.001 0.000 0.249 701 E C 0.059 176.742 176.600 0.138 0.000 0.923 701 E CA -0.588 55.937 56.400 0.208 0.000 0.754 701 E CB 0.991 30.851 29.700 0.267 0.000 1.177 701 E HN 0.828 nan 8.360 nan 0.000 0.430 702 A N 3.198 126.069 122.820 0.085 0.000 2.488 702 A HA 0.516 4.836 4.320 0.001 0.000 0.249 702 A C -0.058 177.572 177.584 0.076 0.000 1.083 702 A CA 0.249 52.326 52.037 0.066 0.000 0.768 702 A CB 0.542 19.554 19.000 0.019 0.000 1.017 702 A HN 0.618 nan 8.150 nan 0.000 0.496 703 A N 3.364 126.250 122.820 0.109 0.000 2.332 703 A HA 0.581 4.901 4.320 0.001 0.000 0.300 703 A C 0.013 177.684 177.584 0.146 0.000 1.153 703 A CA -0.630 51.467 52.037 0.100 0.000 0.764 703 A CB 0.222 19.264 19.000 0.070 0.000 1.174 703 A HN 1.252 nan 8.150 nan 0.000 0.467 704 I N 1.047 121.698 120.570 0.134 0.000 2.436 704 I HA 0.310 4.480 4.170 0.001 0.000 0.289 704 I C 0.192 176.439 176.117 0.217 0.000 1.083 704 I CA -0.033 61.393 61.300 0.209 0.000 1.372 704 I CB 0.605 38.764 38.000 0.265 0.000 1.408 704 I HN 0.350 nan 8.210 nan 0.000 0.516 705 S N 5.548 121.398 115.700 0.251 0.000 2.549 705 S HA 0.144 4.614 4.470 0.001 0.000 0.283 705 S C -0.566 174.209 174.600 0.293 0.000 1.320 705 S CA -0.137 58.186 58.200 0.205 0.000 1.058 705 S CB 0.279 63.600 63.200 0.201 0.000 0.882 705 S HN 0.613 nan 8.310 nan 0.000 0.498 706 Y N 2.604 122.940 120.300 0.060 0.000 2.342 706 Y HA 0.455 5.005 4.550 0.001 0.000 0.338 706 Y C 0.149 176.054 175.900 0.007 0.000 0.965 706 Y CA -0.163 57.945 58.100 0.014 0.000 1.159 706 Y CB 1.001 39.374 38.460 -0.145 0.000 1.157 706 Y HN 0.551 nan 8.280 nan 0.000 0.486 707 T N 4.370 118.632 114.554 -0.487 0.000 2.924 707 T HA 0.740 5.090 4.350 0.001 0.000 0.291 707 T C -0.184 174.132 174.700 -0.639 0.000 1.045 707 T CA 0.375 62.156 62.100 -0.533 0.000 1.015 707 T CB 1.319 69.834 68.868 -0.587 0.000 1.103 707 T HN 1.237 nan 8.240 nan 0.000 0.496 708 G N 1.947 110.563 108.800 -0.307 0.000 2.545 708 G HA2 -0.018 3.942 3.960 0.001 0.000 0.216 708 G HA3 -0.018 3.942 3.960 0.001 0.000 0.216 708 G C -1.264 173.615 174.900 -0.035 0.000 1.314 708 G CA -0.074 44.968 45.100 -0.097 0.000 0.906 708 G HN 0.814 nan 8.290 nan 0.000 0.563 709 D N -0.974 119.467 120.400 0.069 0.000 2.336 709 D HA 0.535 5.175 4.640 0.001 0.000 0.248 709 D C 1.305 177.711 176.300 0.177 0.000 1.326 709 D CA 0.114 54.209 54.000 0.157 0.000 0.973 709 D CB 1.284 42.135 40.800 0.085 0.000 1.255 709 D HN 0.482 nan 8.370 nan 0.000 0.558 710 V N 2.995 123.077 119.914 0.280 0.000 2.380 710 V HA -0.244 3.876 4.120 0.001 0.000 0.251 710 V C 2.273 178.457 176.094 0.150 0.000 1.063 710 V CA 2.447 64.898 62.300 0.251 0.000 1.055 710 V CB -0.458 31.547 31.823 0.304 0.000 0.657 710 V HN 0.696 nan 8.190 nan 0.000 0.455 711 A N -1.226 121.662 122.820 0.114 0.000 2.209 711 A HA -0.081 4.240 4.320 0.001 0.000 0.212 711 A C 1.231 178.844 177.584 0.049 0.000 1.158 711 A CA 0.608 52.684 52.037 0.065 0.000 0.742 711 A CB -0.264 18.759 19.000 0.038 0.000 0.790 711 A HN 0.526 nan 8.150 nan 0.000 0.472 712 D N 0.073 120.508 120.400 0.058 0.000 2.313 712 D HA 0.216 4.856 4.640 0.001 0.000 0.239 712 D C -1.517 174.811 176.300 0.047 0.000 1.142 712 D CA -1.708 52.315 54.000 0.040 0.000 0.847 712 D CB 1.538 42.358 40.800 0.033 0.000 1.082 712 D HN 0.079 nan 8.370 nan 0.000 0.480 713 P HA -0.141 nan 4.420 nan 0.000 0.216 713 P C 1.271 178.588 177.300 0.028 0.000 1.153 713 P CA 0.809 63.929 63.100 0.034 0.000 0.848 713 P CB 0.094 31.809 31.700 0.024 0.000 0.787 714 S N -0.752 114.961 115.700 0.021 0.000 2.507 714 S HA -0.054 4.416 4.470 0.001 0.000 0.235 714 S C 1.328 175.934 174.600 0.011 0.000 0.988 714 S CA 0.117 58.325 58.200 0.013 0.000 0.944 714 S CB -0.875 62.330 63.200 0.009 0.000 0.762 714 S HN 0.060 nan 8.310 nan 0.000 0.526 715 R N 2.323 122.836 120.500 0.021 0.000 2.891 715 R HA 0.213 4.553 4.340 0.001 0.000 0.248 715 R C -0.590 175.707 176.300 -0.004 0.000 1.439 715 R CA 0.042 56.151 56.100 0.016 0.000 1.288 715 R CB -0.123 30.202 30.300 0.042 0.000 1.212 715 R HN 0.221 nan 8.270 nan 0.000 0.605 716 T N 2.112 116.647 114.554 -0.031 0.000 3.783 716 T HA 0.094 4.444 4.350 0.001 0.000 0.262 716 T C 0.768 175.399 174.700 -0.116 0.000 1.381 716 T CA -0.053 62.019 62.100 -0.047 0.000 1.155 716 T CB 0.143 68.994 68.868 -0.029 0.000 1.256 716 T HN 0.375 nan 8.240 nan 0.000 0.807 717 K N 0.659 120.935 120.400 -0.207 0.000 3.019 717 K HA 0.159 4.479 4.320 0.001 0.000 0.192 717 K C -0.712 175.409 176.600 -0.798 0.000 1.680 717 K CA 0.030 56.037 56.287 -0.465 0.000 1.375 717 K CB 0.402 32.569 32.500 -0.556 0.000 1.968 717 K HN 0.304 nan 8.250 nan 0.000 0.624 718 Y N 2.282 122.410 120.300 -0.286 0.000 2.602 718 Y HA 0.488 5.038 4.550 0.000 0.000 0.373 718 Y C -0.380 175.460 175.900 -0.100 0.000 0.960 718 Y CA -1.015 56.799 58.100 -0.477 0.000 1.281 718 Y CB 0.902 39.102 38.460 -0.433 0.000 1.308 718 Y HN -0.100 nan 8.280 nan 0.000 0.595 719 S N 0.850 116.590 115.700 0.067 0.000 2.587 719 S HA -0.054 4.417 4.470 0.001 0.000 0.260 719 S C 1.381 176.174 174.600 0.321 0.000 1.353 719 S CA -0.592 57.711 58.200 0.172 0.000 0.995 719 S CB 0.848 64.119 63.200 0.119 0.000 0.912 719 S HN 0.632 nan 8.310 nan 0.000 0.568 720 L N 1.275 122.666 121.223 0.280 0.000 2.042 720 L HA -0.148 4.193 4.340 0.001 0.000 0.210 720 L C 2.319 179.344 176.870 0.259 0.000 1.076 720 L CA 1.953 56.973 54.840 0.300 0.000 0.749 720 L CB -0.857 41.313 42.059 0.185 0.000 0.893 720 L HN 0.737 nan 8.230 nan 0.000 0.432 721 Q N -1.640 118.266 119.800 0.175 0.000 2.230 721 Q HA -0.246 4.094 4.340 0.001 0.000 0.202 721 Q C 2.070 178.128 176.000 0.098 0.000 0.963 721 Q CA 1.743 57.617 55.803 0.119 0.000 0.866 721 Q CB -0.698 28.090 28.738 0.084 0.000 0.931 721 Q HN 0.698 nan 8.270 nan 0.000 0.452 722 Y N -0.448 119.839 120.300 -0.021 0.000 2.128 722 Y HA -0.305 4.245 4.550 0.001 0.000 0.284 722 Y C 1.361 177.149 175.900 -0.187 0.000 1.154 722 Y CA 2.093 60.086 58.100 -0.178 0.000 1.149 722 Y CB -0.453 37.787 38.460 -0.367 0.000 0.976 722 Y HN 0.209 nan 8.280 nan 0.000 0.505 723 Y N -1.072 119.256 120.300 0.047 0.000 2.220 723 Y HA -0.247 4.303 4.550 0.000 0.000 0.291 723 Y C 2.530 178.411 175.900 -0.032 0.000 1.129 723 Y CA 1.065 59.154 58.100 -0.019 0.000 1.161 723 Y CB -0.382 38.191 38.460 0.188 0.000 0.997 723 Y HN 0.120 nan 8.280 nan 0.000 0.522 724 M N -0.246 119.451 119.600 0.162 0.000 2.108 724 M HA -0.164 4.317 4.480 0.001 0.000 0.261 724 M C 2.469 178.802 176.300 0.056 0.000 1.066 724 M CA 1.659 57.028 55.300 0.113 0.000 1.107 724 M CB -1.839 30.812 32.600 0.085 0.000 1.356 724 M HN 0.418 nan 8.290 nan 0.000 0.406 725 G N 0.243 109.028 108.800 -0.025 0.000 2.446 725 G HA2 -0.210 3.750 3.960 0.001 0.000 0.217 725 G HA3 -0.210 3.750 3.960 0.001 0.000 0.217 725 G C 1.557 176.408 174.900 -0.081 0.000 1.168 725 G CA 0.734 45.799 45.100 -0.058 0.000 0.771 725 G HN 0.358 nan 8.290 nan 0.000 0.551 726 L N 1.288 122.403 121.223 -0.180 0.000 2.056 726 L HA 0.242 4.582 4.340 0.001 0.000 0.207 726 L C 3.143 179.994 176.870 -0.032 0.000 1.078 726 L CA 1.846 56.591 54.840 -0.158 0.000 0.749 726 L CB -0.935 40.955 42.059 -0.282 0.000 0.901 726 L HN 0.262 nan 8.230 nan 0.000 0.433 727 A N -0.762 122.084 122.820 0.044 0.000 1.883 727 A HA -0.288 4.032 4.320 0.001 0.000 0.217 727 A C 2.261 179.895 177.584 0.083 0.000 1.186 727 A CA 1.844 53.934 52.037 0.089 0.000 0.624 727 A CB -0.766 18.370 19.000 0.226 0.000 0.822 727 A HN 0.494 nan 8.150 nan 0.000 0.444 728 E N 0.168 120.493 120.200 0.208 0.000 2.130 728 E HA -0.225 4.125 4.350 0.001 0.000 0.196 728 E C 1.887 178.532 176.600 0.076 0.000 0.998 728 E CA 1.964 58.513 56.400 0.249 0.000 0.806 728 E CB -0.208 29.605 29.700 0.188 0.000 0.738 728 E HN 0.771 nan 8.360 nan 0.000 0.459 729 E N -0.338 119.875 120.200 0.021 0.000 2.072 729 E HA -0.128 4.222 4.350 0.001 0.000 0.190 729 E C 2.249 178.823 176.600 -0.043 0.000 0.982 729 E CA 1.022 57.413 56.400 -0.015 0.000 0.803 729 E CB -0.109 29.571 29.700 -0.033 0.000 0.755 729 E HN 0.306 nan 8.360 nan 0.000 0.453 730 L N 0.718 121.906 121.223 -0.058 0.000 2.027 730 L HA -0.157 4.184 4.340 0.001 0.000 0.206 730 L C 2.510 179.305 176.870 -0.125 0.000 1.074 730 L CA 0.707 55.500 54.840 -0.080 0.000 0.745 730 L CB -0.466 41.555 42.059 -0.064 0.000 0.898 730 L HN 0.032 nan 8.230 nan 0.000 0.433 731 V N -0.091 119.702 119.914 -0.200 0.000 2.343 731 V HA -0.294 3.826 4.120 0.001 0.000 0.247 731 V C 2.609 178.615 176.094 -0.147 0.000 1.051 731 V CA 1.887 64.019 62.300 -0.280 0.000 1.036 731 V CB -0.721 30.718 31.823 -0.639 0.000 0.654 731 V HN 0.438 nan 8.190 nan 0.000 0.451 732 R N 0.084 120.535 120.500 -0.081 0.000 2.148 732 R HA -0.038 4.302 4.340 0.001 0.000 0.223 732 R C 2.126 178.401 176.300 -0.041 0.000 1.088 732 R CA 1.188 57.268 56.100 -0.032 0.000 0.985 732 R CB -0.263 30.038 30.300 0.001 0.000 0.880 732 R HN 0.509 nan 8.270 nan 0.000 0.451 733 A N -0.244 122.541 122.820 -0.058 0.000 2.119 733 A HA 0.167 4.488 4.320 0.001 0.000 0.216 733 A C 1.183 178.719 177.584 -0.080 0.000 1.152 733 A CA 0.895 52.896 52.037 -0.060 0.000 0.708 733 A CB -0.060 18.903 19.000 -0.062 0.000 0.805 733 A HN 0.491 nan 8.150 nan 0.000 0.460 734 G N -0.722 108.017 108.800 -0.102 0.000 2.288 734 G HA2 -0.121 3.839 3.960 0.001 0.000 0.205 734 G HA3 -0.121 3.839 3.960 0.001 0.000 0.205 734 G C 0.213 174.984 174.900 -0.215 0.000 1.071 734 G CA 0.318 45.341 45.100 -0.129 0.000 0.788 734 G HN 0.882 nan 8.290 nan 0.000 0.491 735 T N -1.213 113.229 114.554 -0.186 0.000 2.932 735 T HA 0.339 4.690 4.350 0.001 0.000 0.312 735 T C 1.742 176.330 174.700 -0.187 0.000 1.071 735 T CA 0.841 62.824 62.100 -0.194 0.000 1.128 735 T CB 0.384 69.194 68.868 -0.096 0.000 0.984 735 T HN 0.429 nan 8.240 nan 0.000 0.549 736 H N 2.584 121.686 119.070 0.053 0.000 2.372 736 H HA 0.350 4.906 4.556 0.001 0.000 0.301 736 H C 0.386 175.761 175.328 0.078 0.000 1.065 736 H CA 0.603 56.700 56.048 0.082 0.000 1.364 736 H CB 0.259 30.110 29.762 0.147 0.000 1.406 736 H HN 0.381 nan 8.280 nan 0.000 0.521 737 I N 0.817 121.508 120.570 0.201 0.000 2.582 737 I HA 0.166 4.336 4.170 0.001 0.000 0.292 737 I C -1.402 174.763 176.117 0.079 0.000 1.066 737 I CA -1.089 60.296 61.300 0.141 0.000 1.053 737 I CB 3.074 41.215 38.000 0.235 0.000 1.241 737 I HN -0.033 nan 8.210 nan 0.000 0.421 738 L N 6.175 127.415 121.223 0.027 0.000 2.295 738 L HA 0.610 4.951 4.340 0.001 0.000 0.285 738 L C -0.748 176.143 176.870 0.035 0.000 1.035 738 L CA 0.031 54.877 54.840 0.010 0.000 0.806 738 L CB 1.336 43.374 42.059 -0.035 0.000 1.214 738 L HN 0.794 nan 8.230 nan 0.000 0.426 739 C N 5.959 125.277 119.300 0.030 0.000 2.507 739 C HA 0.737 5.197 4.460 0.001 0.000 0.319 739 C C 0.084 175.074 174.990 -0.001 0.000 1.208 739 C CA -0.846 58.170 59.018 -0.002 0.000 1.619 739 C CB 0.286 27.987 27.740 -0.064 0.000 2.230 739 C HN 0.842 nan 8.230 nan 0.000 0.492 743 M N 0.207 119.901 119.600 0.157 0.000 2.159 743 M HA 0.050 4.530 4.480 0.001 0.000 0.263 743 M C 1.149 177.388 176.300 -0.102 0.000 1.063 743 M CA 1.935 57.280 55.300 0.074 0.000 1.110 743 M CB -1.046 31.526 32.600 -0.045 0.000 1.374 743 M HN 0.240 nan 8.290 nan 0.000 0.411 744 A N 0.071 122.881 122.820 -0.018 0.000 2.308 744 A HA 0.518 4.838 4.320 0.001 0.000 0.217 744 A C 1.495 179.057 177.584 -0.038 0.000 1.216 744 A CA 0.492 52.496 52.037 -0.056 0.000 0.864 744 A CB -0.753 18.240 19.000 -0.011 0.000 0.902 744 A HN 0.932 nan 8.150 nan 0.000 0.499 745 G N -0.351 108.467 108.800 0.030 0.000 2.246 745 G HA2 -0.232 3.728 3.960 0.001 0.000 0.273 745 G HA3 -0.232 3.728 3.960 0.001 0.000 0.273 745 G C 0.524 175.441 174.900 0.029 0.000 1.055 745 G CA 0.485 45.591 45.100 0.011 0.000 0.851 745 G HN 0.480 nan 8.290 nan 0.000 0.500 746 L N -0.885 120.423 121.223 0.142 0.000 2.509 746 L HA 0.291 4.631 4.340 0.001 0.000 0.222 746 L C 1.729 178.812 176.870 0.355 0.000 1.123 746 L CA -0.045 54.978 54.840 0.305 0.000 0.856 746 L CB 0.009 42.272 42.059 0.339 0.000 0.985 746 L HN 0.274 nan 8.230 nan 0.000 0.456 747 L N 1.648 122.949 121.223 0.130 0.000 2.500 747 L HA 0.010 4.351 4.340 0.001 0.000 0.272 747 L C 0.167 177.055 176.870 0.030 0.000 1.149 747 L CA 0.392 55.201 54.840 -0.051 0.000 0.897 747 L CB 0.086 41.993 42.059 -0.253 0.000 1.178 747 L HN 0.064 nan 8.230 nan 0.000 0.473 748 K N 5.099 125.524 120.400 0.042 0.000 2.110 748 K HA 0.274 4.594 4.320 0.001 0.000 0.263 748 K C -1.530 175.061 176.600 -0.016 0.000 0.975 748 K CA -1.519 54.783 56.287 0.024 0.000 0.895 748 K CB 1.188 33.691 32.500 0.005 0.000 1.060 748 K HN 0.117 nan 8.250 nan 0.000 0.448 749 P HA -0.313 nan 4.420 nan 0.000 0.219 749 P C 1.150 178.436 177.300 -0.024 0.000 1.158 749 P CA 1.829 64.915 63.100 -0.023 0.000 0.895 749 P CB 0.024 31.715 31.700 -0.014 0.000 0.792 750 T N -3.601 110.943 114.554 -0.016 0.000 2.951 750 T HA 0.059 4.410 4.350 0.001 0.000 0.268 750 T C 1.844 176.539 174.700 -0.008 0.000 1.073 750 T CA 1.033 63.127 62.100 -0.011 0.000 1.134 750 T CB -0.974 67.891 68.868 -0.005 0.000 0.884 750 T HN 0.027 nan 8.240 nan 0.000 0.479 751 A N 0.427 123.242 122.820 -0.007 0.000 1.969 751 A HA 0.071 4.391 4.320 0.001 0.000 0.218 751 A C 2.712 180.263 177.584 -0.056 0.000 1.169 751 A CA 1.179 53.217 52.037 0.001 0.000 0.635 751 A CB -1.339 17.686 19.000 0.041 0.000 0.810 751 A HN 0.705 nan 8.150 nan 0.000 0.445 752 C N -1.323 117.926 119.300 -0.085 0.000 2.462 752 C HA -0.081 4.379 4.460 0.001 0.000 0.278 752 C C 2.999 177.952 174.990 -0.061 0.000 1.253 752 C CA 1.536 60.491 59.018 -0.105 0.000 1.713 752 C CB -1.460 26.222 27.740 -0.097 0.000 2.049 752 C HN 0.620 nan 8.230 nan 0.000 0.477 753 T N 1.029 115.560 114.554 -0.039 0.000 2.685 753 T HA -0.316 4.034 4.350 0.001 0.000 0.268 753 T C 1.762 176.454 174.700 -0.013 0.000 1.034 753 T CA 2.192 64.278 62.100 -0.023 0.000 1.149 753 T CB -0.394 68.465 68.868 -0.015 0.000 0.860 753 T HN 0.602 nan 8.240 nan 0.000 0.449 754 M N 0.017 119.613 119.600 -0.006 0.000 2.067 754 M HA -0.048 4.432 4.480 0.001 0.000 0.260 754 M C 2.103 178.411 176.300 0.013 0.000 1.069 754 M CA 1.618 56.925 55.300 0.012 0.000 1.117 754 M CB -0.180 32.438 32.600 0.031 0.000 1.334 754 M HN 0.222 nan 8.290 nan 0.000 0.407 755 L N -0.622 120.600 121.223 -0.002 0.000 2.095 755 L HA -0.030 4.310 4.340 0.001 0.000 0.204 755 L C 2.235 179.105 176.870 -0.001 0.000 1.080 755 L CA 1.303 56.145 54.840 0.003 0.000 0.759 755 L CB -0.537 41.495 42.059 -0.044 0.000 0.914 755 L HN 0.288 nan 8.230 nan 0.000 0.439 756 V N -0.977 118.923 119.914 -0.023 0.000 2.548 756 V HA -0.162 3.958 4.120 0.001 0.000 0.249 756 V C 2.595 178.689 176.094 0.001 0.000 1.055 756 V CA 1.827 64.119 62.300 -0.012 0.000 1.065 756 V CB -0.251 31.553 31.823 -0.032 0.000 0.681 756 V HN 0.788 nan 8.190 nan 0.000 0.462 757 S N 0.585 116.283 115.700 -0.004 0.000 2.368 757 S HA -0.176 4.294 4.470 0.001 0.000 0.224 757 S C 2.115 176.712 174.600 -0.004 0.000 1.029 757 S CA 1.742 59.940 58.200 -0.004 0.000 0.988 757 S CB -0.885 62.311 63.200 -0.006 0.000 0.838 757 S HN 0.897 nan 8.310 nan 0.000 0.462 758 S N 0.561 116.261 115.700 -0.000 0.000 2.561 758 S HA 0.244 4.714 4.470 0.001 0.000 0.225 758 S C 1.578 176.166 174.600 -0.021 0.000 0.977 758 S CA 0.109 58.303 58.200 -0.011 0.000 0.926 758 S CB -0.511 62.692 63.200 0.005 0.000 0.769 758 S HN 0.535 nan 8.310 nan 0.000 0.533 759 L N 0.183 121.417 121.223 0.017 0.000 2.189 759 L HA 0.319 4.659 4.340 0.001 0.000 0.199 759 L C 2.863 179.775 176.870 0.070 0.000 1.074 759 L CA 0.640 55.523 54.840 0.072 0.000 0.783 759 L CB -0.379 41.761 42.059 0.136 0.000 0.955 759 L HN 0.234 nan 8.230 nan 0.000 0.460 760 R N 0.825 121.356 120.500 0.051 0.000 2.103 760 R HA -0.247 4.094 4.340 0.001 0.000 0.242 760 R C 1.892 178.197 176.300 0.007 0.000 1.142 760 R CA 2.102 58.228 56.100 0.043 0.000 0.960 760 R CB -0.530 29.782 30.300 0.021 0.000 0.858 760 R HN 0.458 nan 8.270 nan 0.000 0.439 761 D N -1.021 119.363 120.400 -0.027 0.000 2.349 761 D HA -0.088 4.552 4.640 0.001 0.000 0.224 761 D C 1.171 177.400 176.300 -0.118 0.000 1.029 761 D CA 0.411 54.379 54.000 -0.052 0.000 0.879 761 D CB 0.195 40.972 40.800 -0.039 0.000 0.906 761 D HN 0.183 nan 8.370 nan 0.000 0.528 762 R N -0.645 119.730 120.500 -0.209 0.000 2.287 762 R HA 0.136 4.477 4.340 0.001 0.000 0.197 762 R C -0.187 175.671 176.300 -0.736 0.000 0.900 762 R CA 0.199 56.010 56.100 -0.483 0.000 1.052 762 R CB 0.694 30.614 30.300 -0.633 0.000 1.117 762 R HN 0.080 nan 8.270 nan 0.000 0.568 763 F N 1.277 121.232 119.950 0.010 0.000 2.824 763 F HA 0.334 4.861 4.527 0.001 0.000 0.375 763 F C -1.646 174.159 175.800 0.008 0.000 1.190 763 F CA -1.865 56.141 58.000 0.010 0.000 1.180 763 F CB 1.810 40.817 39.000 0.012 0.000 1.477 763 F HN -0.171 nan 8.300 nan 0.000 0.542 764 P HA -0.143 nan 4.420 nan 0.000 0.218 764 P C 0.613 177.964 177.300 0.085 0.000 1.149 764 P CA 1.487 64.636 63.100 0.082 0.000 0.817 764 P CB 0.490 32.219 31.700 0.050 0.000 0.785 765 D N -0.838 119.624 120.400 0.103 0.000 2.333 765 D HA 0.039 4.679 4.640 0.001 0.000 0.208 765 D C 0.830 177.168 176.300 0.064 0.000 0.984 765 D CA 0.082 54.127 54.000 0.074 0.000 0.873 765 D CB -0.204 40.638 40.800 0.070 0.000 0.935 765 D HN 0.147 nan 8.370 nan 0.000 0.521 766 L N 2.197 123.470 121.223 0.083 0.000 2.360 766 L HA 0.244 4.585 4.340 0.001 0.000 0.276 766 L C -2.388 174.495 176.870 0.022 0.000 1.121 766 L CA -1.523 53.339 54.840 0.036 0.000 0.845 766 L CB 0.692 42.744 42.059 -0.011 0.000 1.143 766 L HN -0.286 nan 8.230 nan 0.000 0.452 767 P HA 0.133 nan 4.420 nan 0.000 0.267 767 P C -1.134 176.141 177.300 -0.041 0.000 1.209 767 P CA 0.241 63.317 63.100 -0.040 0.000 0.763 767 P CB 0.356 32.024 31.700 -0.052 0.000 0.816 768 L N 4.312 125.500 121.223 -0.059 0.000 2.280 768 L HA 0.354 4.694 4.340 0.001 0.000 0.287 768 L C 0.288 177.115 176.870 -0.072 0.000 1.023 768 L CA -0.616 54.202 54.840 -0.037 0.000 0.819 768 L CB 0.745 42.798 42.059 -0.009 0.000 1.212 768 L HN 0.455 nan 8.230 nan 0.000 0.420 769 H N 4.532 123.500 119.070 -0.171 0.000 2.541 769 H HA 0.515 5.071 4.556 0.001 0.000 0.316 769 H C -1.075 174.172 175.328 -0.135 0.000 1.043 769 H CA -0.717 55.191 56.048 -0.234 0.000 1.232 769 H CB 1.261 30.849 29.762 -0.289 0.000 1.406 769 H HN 0.354 nan 8.280 nan 0.000 0.469 770 I N 5.038 125.686 120.570 0.130 0.000 2.362 770 I HA 0.146 4.316 4.170 0.001 0.000 0.289 770 I C -0.223 175.889 176.117 -0.009 0.000 0.994 770 I CA -0.379 60.921 61.300 0.000 0.000 1.158 770 I CB 1.082 39.051 38.000 -0.052 0.000 1.315 770 I HN 0.606 nan 8.210 nan 0.000 0.451 771 H N 4.418 123.393 119.070 -0.158 0.000 2.481 771 H HA 0.746 5.302 4.556 0.001 0.000 0.333 771 H C -0.799 174.445 175.328 -0.140 0.000 1.066 771 H CA -0.126 55.817 56.048 -0.175 0.000 1.209 771 H CB 1.377 31.006 29.762 -0.223 0.000 1.445 771 H HN 0.579 nan 8.280 nan 0.000 0.488 772 T N 3.629 117.754 114.554 -0.715 0.000 2.841 772 T HA 0.339 4.689 4.350 0.001 0.000 0.296 772 T C -1.396 172.923 174.700 -0.636 0.000 1.166 772 T CA -0.665 61.144 62.100 -0.486 0.000 1.007 772 T CB 0.914 69.637 68.868 -0.242 0.000 1.253 772 T HN 0.711 nan 8.240 nan 0.000 0.511 773 H N 0.866 119.766 119.070 -0.283 0.000 2.710 773 H HA 0.357 4.913 4.556 0.001 0.000 0.361 773 H C -0.562 174.665 175.328 -0.168 0.000 1.175 773 H CA -0.520 55.402 56.048 -0.210 0.000 1.206 773 H CB 2.145 31.814 29.762 -0.154 0.000 1.750 773 H HN 0.576 nan 8.280 nan 0.000 0.553 774 D N 0.601 120.973 120.400 -0.046 0.000 2.501 774 D HA -0.031 4.609 4.640 0.001 0.000 0.226 774 D C 1.572 177.807 176.300 -0.108 0.000 1.198 774 D CA 0.089 54.039 54.000 -0.083 0.000 0.830 774 D CB 0.220 40.966 40.800 -0.091 0.000 1.014 774 D HN 0.654 nan 8.370 nan 0.000 0.496 775 T N -2.764 111.708 114.554 -0.137 0.000 2.833 775 T HA -0.181 4.169 4.350 0.001 0.000 0.269 775 T C 1.909 176.458 174.700 -0.252 0.000 1.054 775 T CA 1.766 63.721 62.100 -0.241 0.000 1.135 775 T CB -0.364 68.290 68.868 -0.357 0.000 0.869 775 T HN 0.059 nan 8.240 nan 0.000 0.466 776 S N 0.443 116.005 115.700 -0.230 0.000 2.470 776 S HA 0.376 4.846 4.470 0.001 0.000 0.225 776 S C 1.982 176.530 174.600 -0.087 0.000 1.006 776 S CA 0.686 58.752 58.200 -0.222 0.000 0.934 776 S CB -0.708 62.298 63.200 -0.324 0.000 0.778 776 S HN 1.499 nan 8.310 nan 0.000 0.517 777 G N 0.319 109.077 108.800 -0.071 0.000 2.144 777 G HA2 -0.051 3.910 3.960 0.001 0.000 0.218 777 G HA3 -0.051 3.910 3.960 0.001 0.000 0.218 777 G C 0.529 175.423 174.900 -0.010 0.000 0.988 777 G CA -0.096 44.980 45.100 -0.039 0.000 0.659 777 G HN 1.329 nan 8.290 nan 0.000 0.522 778 A N 0.012 122.833 122.820 0.002 0.000 2.390 778 A HA 0.666 4.986 4.320 0.001 0.000 0.232 778 A C 2.286 179.864 177.584 -0.010 0.000 1.233 778 A CA 1.343 53.391 52.037 0.019 0.000 0.907 778 A CB -0.222 18.821 19.000 0.071 0.000 0.967 778 A HN 1.454 nan 8.150 nan 0.000 0.512 779 G N 0.301 109.081 108.800 -0.034 0.000 2.476 779 G HA2 -0.195 3.766 3.960 0.001 0.000 0.218 779 G HA3 -0.195 3.766 3.960 0.001 0.000 0.218 779 G C 1.471 176.337 174.900 -0.056 0.000 1.164 779 G CA 1.587 46.651 45.100 -0.060 0.000 0.768 779 G HN 0.259 nan 8.290 nan 0.000 0.560 780 V N 1.596 121.486 119.914 -0.040 0.000 2.237 780 V HA -0.121 3.999 4.120 0.001 0.000 0.245 780 V C 3.372 179.451 176.094 -0.025 0.000 1.046 780 V CA 2.171 64.453 62.300 -0.030 0.000 1.007 780 V CB -1.106 30.707 31.823 -0.016 0.000 0.638 780 V HN 0.504 nan 8.190 nan 0.000 0.445 781 A N 0.048 122.858 122.820 -0.017 0.000 1.903 781 A HA -0.295 4.026 4.320 0.001 0.000 0.219 781 A C 2.419 179.989 177.584 -0.023 0.000 1.191 781 A CA 2.882 54.910 52.037 -0.014 0.000 0.638 781 A CB -1.057 17.939 19.000 -0.006 0.000 0.823 781 A HN 0.655 nan 8.150 nan 0.000 0.451 782 A N -1.218 121.584 122.820 -0.031 0.000 1.865 782 A HA -0.168 4.152 4.320 0.001 0.000 0.217 782 A C 2.168 179.717 177.584 -0.058 0.000 1.191 782 A CA 2.302 54.310 52.037 -0.047 0.000 0.623 782 A CB -0.526 18.439 19.000 -0.057 0.000 0.826 782 A HN 0.435 nan 8.150 nan 0.000 0.444 783 M N -0.499 119.065 119.600 -0.060 0.000 2.159 783 M HA -0.042 4.439 4.480 0.001 0.000 0.263 783 M C 2.127 178.401 176.300 -0.043 0.000 1.063 783 M CA 1.140 56.405 55.300 -0.060 0.000 1.110 783 M CB -1.474 31.089 32.600 -0.061 0.000 1.374 783 M HN 0.391 nan 8.290 nan 0.000 0.411 784 L N -0.554 120.651 121.223 -0.031 0.000 2.141 784 L HA -0.149 4.192 4.340 0.001 0.000 0.209 784 L C 2.569 179.425 176.870 -0.023 0.000 1.094 784 L CA 0.984 55.811 54.840 -0.021 0.000 0.763 784 L CB -0.735 41.317 42.059 -0.013 0.000 0.908 784 L HN 0.263 nan 8.230 nan 0.000 0.437 785 A N -0.981 121.822 122.820 -0.029 0.000 1.969 785 A HA -0.198 4.122 4.320 0.001 0.000 0.218 785 A C 2.372 179.934 177.584 -0.036 0.000 1.169 785 A CA 1.628 53.647 52.037 -0.030 0.000 0.635 785 A CB -0.972 18.009 19.000 -0.032 0.000 0.810 785 A HN 0.536 nan 8.150 nan 0.000 0.445 786 C N -1.021 118.252 119.300 -0.046 0.000 2.453 786 C HA 0.104 4.564 4.460 0.001 0.000 0.277 786 C C 3.292 178.259 174.990 -0.037 0.000 1.262 786 C CA 0.593 59.581 59.018 -0.049 0.000 1.718 786 C CB -1.357 26.345 27.740 -0.063 0.000 2.031 786 C HN 0.712 nan 8.230 nan 0.000 0.480 787 A N 0.158 122.958 122.820 -0.033 0.000 1.892 787 A HA -0.296 4.024 4.320 0.001 0.000 0.218 787 A C 2.069 179.642 177.584 -0.018 0.000 1.188 787 A CA 2.373 54.395 52.037 -0.025 0.000 0.631 787 A CB -0.750 18.239 19.000 -0.018 0.000 0.822 787 A HN 0.581 nan 8.150 nan 0.000 0.447 788 Q N -0.412 119.378 119.800 -0.017 0.000 2.084 788 Q HA 0.030 4.370 4.340 0.001 0.000 0.202 788 Q C 1.712 177.704 176.000 -0.013 0.000 0.978 788 Q CA 1.708 57.503 55.803 -0.013 0.000 0.844 788 Q CB -0.531 28.199 28.738 -0.013 0.000 0.898 788 Q HN 0.588 nan 8.270 nan 0.000 0.426 789 A N -0.890 121.920 122.820 -0.017 0.000 2.359 789 A HA 0.459 4.780 4.320 0.001 0.000 0.240 789 A C 0.941 178.517 177.584 -0.013 0.000 1.306 789 A CA 0.476 52.504 52.037 -0.015 0.000 0.898 789 A CB -1.053 17.936 19.000 -0.018 0.000 0.956 789 A HN 0.472 nan 8.150 nan 0.000 0.497 790 G N -1.087 107.705 108.800 -0.013 0.000 2.298 790 G HA2 0.107 4.067 3.960 0.001 0.000 0.287 790 G HA3 0.107 4.067 3.960 0.001 0.000 0.287 790 G C 0.287 175.177 174.900 -0.017 0.000 1.075 790 G CA 0.286 45.380 45.100 -0.011 0.000 0.960 790 G HN 1.632 nan 8.290 nan 0.000 0.502 791 A N -0.320 122.483 122.820 -0.028 0.000 2.363 791 A HA 0.610 4.930 4.320 0.001 0.000 0.270 791 A C 1.208 178.753 177.584 -0.065 0.000 1.121 791 A CA 0.404 52.413 52.037 -0.046 0.000 0.800 791 A CB 0.474 19.443 19.000 -0.052 0.000 1.052 791 A HN 0.298 nan 8.150 nan 0.000 0.493 792 D N 0.667 121.009 120.400 -0.098 0.000 2.123 792 D HA 0.021 4.662 4.640 0.001 0.000 0.200 792 D C 0.221 176.386 176.300 -0.225 0.000 0.976 792 D CA 1.657 55.575 54.000 -0.136 0.000 0.831 792 D CB 0.203 40.906 40.800 -0.162 0.000 0.974 792 D HN 0.303 nan 8.370 nan 0.000 0.469 793 V N 0.885 120.602 119.914 -0.328 0.000 2.789 793 V HA 0.424 4.545 4.120 0.001 0.000 0.311 793 V C -0.082 175.880 176.094 -0.220 0.000 1.073 793 V CA -0.809 61.215 62.300 -0.459 0.000 0.921 793 V CB 2.898 34.008 31.823 -1.188 0.000 1.009 793 V HN -0.252 nan 8.190 nan 0.000 0.426 794 V N 1.501 121.338 119.914 -0.128 0.000 2.914 794 V HA 0.561 4.682 4.120 0.001 0.000 0.314 794 V C -1.236 174.881 176.094 0.037 0.000 1.084 794 V CA -0.617 61.673 62.300 -0.016 0.000 0.963 794 V CB 2.575 34.375 31.823 -0.039 0.000 1.025 794 V HN 0.928 nan 8.190 nan 0.000 0.432 795 D N 2.421 122.840 120.400 0.031 0.000 2.233 795 D HA 0.579 5.220 4.640 0.001 0.000 0.240 795 D C -0.346 175.923 176.300 -0.051 0.000 1.074 795 D CA 0.164 54.179 54.000 0.025 0.000 0.838 795 D CB 1.803 42.614 40.800 0.018 0.000 1.124 795 D HN 0.486 nan 8.370 nan 0.000 0.475 796 V N -1.071 118.833 119.914 -0.016 0.000 3.141 796 V HA 1.007 5.127 4.120 0.001 0.000 0.312 796 V C -0.852 175.228 176.094 -0.023 0.000 1.157 796 V CA -1.088 61.196 62.300 -0.027 0.000 1.041 796 V CB 1.757 33.592 31.823 0.019 0.000 1.071 796 V HN 0.552 nan 8.190 nan 0.000 0.441 797 A N 0.884 123.684 122.820 -0.033 0.000 2.498 797 A HA 0.991 5.312 4.320 0.001 0.000 0.298 797 A C 0.158 177.734 177.584 -0.013 0.000 1.075 797 A CA -0.473 51.532 52.037 -0.053 0.000 0.714 797 A CB 1.379 20.303 19.000 -0.127 0.000 1.299 797 A HN 2.510 nan 8.150 nan 0.000 0.407 798 A N 0.966 123.768 122.820 -0.029 0.000 2.587 798 A HA 0.269 4.590 4.320 0.001 0.000 0.233 798 A C 0.723 178.311 177.584 0.006 0.000 1.049 798 A CA 0.654 52.711 52.037 0.032 0.000 0.754 798 A CB -0.205 18.703 19.000 -0.153 0.000 0.977 798 A HN 0.813 nan 8.150 nan 0.000 0.509 799 D N 1.426 121.879 120.400 0.088 0.000 2.133 799 D HA -0.203 4.438 4.640 0.001 0.000 0.192 799 D C 2.230 178.541 176.300 0.018 0.000 1.001 799 D CA 2.382 56.420 54.000 0.063 0.000 0.844 799 D CB -0.387 40.477 40.800 0.107 0.000 0.944 799 D HN 0.730 nan 8.370 nan 0.000 0.447 800 S N -1.119 114.599 115.700 0.030 0.000 2.555 800 S HA -0.013 4.457 4.470 0.001 0.000 0.230 800 S C 1.327 175.912 174.600 -0.025 0.000 0.978 800 S CA 0.396 58.609 58.200 0.021 0.000 0.934 800 S CB 0.076 63.318 63.200 0.070 0.000 0.766 800 S HN 0.065 nan 8.310 nan 0.000 0.533 801 M N 2.116 121.661 119.600 -0.092 0.000 2.603 801 M HA 0.337 4.817 4.480 0.001 0.000 0.380 801 M C 0.144 176.356 176.300 -0.146 0.000 1.158 801 M CA -0.035 55.163 55.300 -0.169 0.000 0.921 801 M CB 0.213 32.585 32.600 -0.380 0.000 1.417 801 M HN 0.501 nan 8.290 nan 0.000 0.523 802 S N -1.104 114.540 115.700 -0.094 0.000 2.751 802 S HA 0.959 5.430 4.470 0.001 0.000 0.310 802 S C 0.386 174.943 174.600 -0.071 0.000 1.128 802 S CA 0.012 58.160 58.200 -0.085 0.000 0.931 802 S CB 2.262 65.424 63.200 -0.064 0.000 1.177 802 S HN 0.595 nan 8.310 nan 0.000 0.530 803 G N -0.131 108.626 108.800 -0.073 0.000 2.757 803 G HA2 0.041 4.002 3.960 0.001 0.000 0.638 803 G HA3 0.041 4.002 3.960 0.001 0.000 0.638 803 G C 0.185 175.037 174.900 -0.080 0.000 1.344 803 G CA -0.190 44.869 45.100 -0.069 0.000 0.855 803 G HN 1.554 nan 8.290 nan 0.000 0.537 804 M N -2.132 117.415 119.600 -0.089 0.000 7.319 804 M HA -0.325 4.156 4.480 0.001 0.000 0.321 804 M C 1.838 178.066 176.300 -0.121 0.000 0.480 804 M CA 2.837 58.068 55.300 -0.116 0.000 1.311 804 M CB -1.831 30.703 32.600 -0.109 0.000 0.421 804 M HN 1.285 nan 8.290 nan 0.000 0.811 805 T N 0.556 115.041 114.554 -0.115 0.000 3.148 805 T HA 0.127 4.477 4.350 0.001 0.000 0.253 805 T C 0.722 175.456 174.700 0.057 0.000 1.134 805 T CA 0.873 62.921 62.100 -0.087 0.000 1.051 805 T CB -0.077 68.725 68.868 -0.109 0.000 0.959 805 T HN 0.466 nan 8.240 nan 0.000 0.525 806 S N -0.147 115.553 115.700 0.000 0.000 2.566 806 S HA 0.478 4.948 4.470 0.001 0.000 0.277 806 S C 0.003 174.516 174.600 -0.144 0.000 1.150 806 S CA -0.636 57.550 58.200 -0.025 0.000 1.032 806 S CB 0.600 63.748 63.200 -0.086 0.000 1.157 806 S HN 0.300 nan 8.310 nan 0.000 0.507 807 Q N 1.294 120.952 119.800 -0.237 0.000 2.396 807 Q HA 0.434 4.774 4.340 0.001 0.000 0.221 807 Q C -2.380 173.518 176.000 -0.169 0.000 1.025 807 Q CA -1.305 54.326 55.803 -0.286 0.000 0.946 807 Q CB 0.076 28.653 28.738 -0.270 0.000 1.224 807 Q HN 0.373 nan 8.270 nan 0.000 0.539 808 P HA 0.003 nan 4.420 nan 0.000 0.271 808 P C -0.882 176.387 177.300 -0.053 0.000 1.218 808 P CA -0.209 62.837 63.100 -0.090 0.000 0.780 808 P CB 0.751 32.400 31.700 -0.086 0.000 0.901 809 S N 2.342 118.028 115.700 -0.023 0.000 2.596 809 S HA -0.029 4.441 4.470 0.001 0.000 0.298 809 S C 1.468 176.095 174.600 0.045 0.000 1.255 809 S CA -0.233 57.976 58.200 0.016 0.000 1.083 809 S CB -0.551 62.666 63.200 0.029 0.000 0.837 809 S HN 0.514 nan 8.310 nan 0.000 0.499 810 M N 5.583 125.230 119.600 0.077 0.000 2.296 810 M HA 0.146 4.626 4.480 0.001 0.000 0.265 810 M C 1.808 178.193 176.300 0.141 0.000 1.064 810 M CA 2.008 57.376 55.300 0.115 0.000 1.109 810 M CB -0.792 31.909 32.600 0.167 0.000 1.396 810 M HN 0.613 nan 8.290 nan 0.000 0.430 811 G N 0.275 109.172 108.800 0.161 0.000 2.422 811 G HA2 -0.071 3.889 3.960 0.001 0.000 0.218 811 G HA3 -0.071 3.889 3.960 0.001 0.000 0.218 811 G C 1.576 176.556 174.900 0.133 0.000 1.146 811 G CA 0.937 46.149 45.100 0.186 0.000 0.769 811 G HN 0.662 nan 8.290 nan 0.000 0.547 812 A N 0.500 123.376 122.820 0.093 0.000 1.897 812 A HA 0.208 4.528 4.320 0.001 0.000 0.215 812 A C 2.383 179.998 177.584 0.052 0.000 1.181 812 A CA 1.013 53.089 52.037 0.065 0.000 0.620 812 A CB -0.286 18.738 19.000 0.040 0.000 0.821 812 A HN 0.302 nan 8.150 nan 0.000 0.443 813 L N -0.402 120.849 121.223 0.047 0.000 2.109 813 L HA -0.097 4.244 4.340 0.001 0.000 0.207 813 L C 2.490 179.387 176.870 0.044 0.000 1.086 813 L CA 0.940 55.801 54.840 0.035 0.000 0.760 813 L CB -0.981 41.093 42.059 0.024 0.000 0.910 813 L HN 0.217 nan 8.230 nan 0.000 0.437 814 V N 0.687 120.638 119.914 0.062 0.000 2.295 814 V HA -0.265 3.855 4.120 0.001 0.000 0.246 814 V C 2.879 179.002 176.094 0.048 0.000 1.049 814 V CA 1.868 64.201 62.300 0.055 0.000 1.024 814 V CB -0.799 31.062 31.823 0.064 0.000 0.648 814 V HN 0.455 nan 8.190 nan 0.000 0.447 815 A N -0.969 121.890 122.820 0.064 0.000 1.877 815 A HA -0.265 4.056 4.320 0.001 0.000 0.216 815 A C 2.140 179.751 177.584 0.045 0.000 1.186 815 A CA 2.234 54.309 52.037 0.064 0.000 0.620 815 A CB -1.147 17.907 19.000 0.090 0.000 0.822 815 A HN 0.611 nan 8.150 nan 0.000 0.443 816 C N -1.021 118.302 119.300 0.039 0.000 2.511 816 C HA 0.157 4.618 4.460 0.001 0.000 0.277 816 C C 2.280 177.282 174.990 0.021 0.000 1.451 816 C CA 1.254 60.288 59.018 0.027 0.000 1.735 816 C CB -1.593 26.160 27.740 0.022 0.000 1.704 816 C HN 0.648 nan 8.230 nan 0.000 0.571 817 T N -0.471 114.097 114.554 0.023 0.000 2.975 817 T HA 0.111 4.462 4.350 0.001 0.000 0.257 817 T C 0.728 175.438 174.700 0.016 0.000 1.003 817 T CA -0.215 61.896 62.100 0.018 0.000 0.932 817 T CB 0.002 68.883 68.868 0.021 0.000 1.087 817 T HN 0.473 nan 8.240 nan 0.000 0.512 818 R N 1.039 121.550 120.500 0.018 0.000 2.570 818 R HA 0.369 4.710 4.340 0.001 0.000 0.277 818 R C 1.175 177.481 176.300 0.011 0.000 1.039 818 R CA 0.837 56.945 56.100 0.014 0.000 1.065 818 R CB 0.051 30.360 30.300 0.016 0.000 0.964 818 R HN 0.341 nan 8.270 nan 0.000 0.428 819 G N 2.109 110.913 108.800 0.006 0.000 2.225 819 G HA2 -0.263 3.698 3.960 0.001 0.000 0.264 819 G HA3 -0.263 3.698 3.960 0.001 0.000 0.264 819 G C -0.231 174.671 174.900 0.003 0.000 1.060 819 G CA 0.427 45.529 45.100 0.004 0.000 0.833 819 G HN 0.593 nan 8.290 nan 0.000 0.498 820 T N -0.763 113.792 114.554 0.002 0.000 2.956 820 T HA 0.545 4.895 4.350 0.001 0.000 0.312 820 T C -1.390 173.308 174.700 -0.002 0.000 1.151 820 T CA -0.575 61.525 62.100 0.001 0.000 1.024 820 T CB 2.561 71.432 68.868 0.004 0.000 1.140 820 T HN -0.150 nan 8.240 nan 0.000 0.473 821 P HA -0.100 nan 4.420 nan 0.000 0.219 821 P C 1.076 178.373 177.300 -0.006 0.000 1.151 821 P CA 1.271 64.365 63.100 -0.010 0.000 0.850 821 P CB -0.017 31.677 31.700 -0.010 0.000 0.784 822 L N -2.143 119.081 121.223 0.002 0.000 2.591 822 L HA 0.102 4.442 4.340 0.001 0.000 0.228 822 L C 0.948 177.832 176.870 0.022 0.000 1.133 822 L CA -0.201 54.645 54.840 0.011 0.000 0.880 822 L CB -0.935 41.128 42.059 0.007 0.000 1.033 822 L HN -0.054 nan 8.230 nan 0.000 0.450 823 D N 1.870 122.281 120.400 0.017 0.000 2.923 823 D HA -0.128 4.513 4.640 0.001 0.000 0.220 823 D C 1.302 177.631 176.300 0.047 0.000 1.099 823 D CA 0.796 54.809 54.000 0.023 0.000 0.807 823 D CB 1.128 41.935 40.800 0.011 0.000 1.155 823 D HN 0.255 nan 8.370 nan 0.000 0.524 824 T N 0.615 115.198 114.554 0.048 0.000 3.067 824 T HA -0.019 4.331 4.350 0.001 0.000 0.261 824 T C 1.083 175.823 174.700 0.067 0.000 1.110 824 T CA 0.452 62.593 62.100 0.068 0.000 1.113 824 T CB -0.003 68.896 68.868 0.052 0.000 0.917 824 T HN 0.695 nan 8.240 nan 0.000 0.499 825 E N -0.261 119.960 120.200 0.036 0.000 3.253 825 E HA -0.155 4.195 4.350 0.001 0.000 0.284 825 E C -0.675 175.911 176.600 -0.025 0.000 0.958 825 E CA 0.264 56.671 56.400 0.011 0.000 0.917 825 E CB -1.660 28.058 29.700 0.030 0.000 1.466 825 E HN 0.463 nan 8.360 nan 0.000 0.455 826 V N 1.512 121.406 119.914 -0.034 0.000 2.470 826 V HA 0.164 4.285 4.120 0.001 0.000 0.276 826 V C -1.761 174.261 176.094 -0.120 0.000 1.040 826 V CA -0.980 61.259 62.300 -0.102 0.000 1.008 826 V CB 0.566 32.349 31.823 -0.066 0.000 0.990 826 V HN 0.021 nan 8.190 nan 0.000 0.477 827 P HA 0.196 nan 4.420 nan 0.000 0.271 827 P C 0.833 178.000 177.300 -0.221 0.000 1.216 827 P CA -0.322 62.680 63.100 -0.164 0.000 0.771 827 P CB 0.528 32.132 31.700 -0.161 0.000 0.864 828 M N 1.611 121.051 119.600 -0.266 0.000 2.229 828 M HA -0.134 4.347 4.480 0.001 0.000 0.264 828 M C 1.686 177.405 176.300 -0.969 0.000 1.063 828 M CA 1.709 56.700 55.300 -0.515 0.000 1.114 828 M CB -1.183 31.161 32.600 -0.426 0.000 1.387 828 M HN 0.450 nan 8.290 nan 0.000 0.420 829 E N 0.634 120.482 120.200 -0.588 0.000 2.204 829 E HA -0.142 4.208 4.350 0.001 0.000 0.195 829 E C 1.921 178.439 176.600 -0.136 0.000 0.990 829 E CA 1.358 57.530 56.400 -0.380 0.000 0.821 829 E CB 0.008 29.650 29.700 -0.096 0.000 0.750 829 E HN 0.416 nan 8.360 nan 0.000 0.477 830 R N -0.724 119.711 120.500 -0.108 0.000 2.153 830 R HA 0.043 4.384 4.340 0.001 0.000 0.218 830 R C 2.267 178.730 176.300 0.272 0.000 1.072 830 R CA 0.915 57.075 56.100 0.101 0.000 0.990 830 R CB -0.013 30.200 30.300 -0.145 0.000 0.889 830 R HN 0.083 nan 8.270 nan 0.000 0.452 831 V N 0.686 120.659 119.914 0.098 0.000 2.427 831 V HA -0.200 3.920 4.120 0.001 0.000 0.248 831 V C 1.911 178.284 176.094 0.466 0.000 1.051 831 V CA 1.686 64.183 62.300 0.327 0.000 1.048 831 V CB -0.483 31.455 31.823 0.191 0.000 0.666 831 V HN 0.252 nan 8.190 nan 0.000 0.456 832 F N 0.533 120.624 119.950 0.236 0.000 2.069 832 F HA -0.239 4.289 4.527 0.001 0.000 0.298 832 F C 2.433 178.351 175.800 0.196 0.000 1.113 832 F CA 1.361 59.471 58.000 0.182 0.000 1.214 832 F CB -0.491 38.586 39.000 0.129 0.000 0.978 832 F HN 0.227 nan 8.300 nan 0.000 0.474 833 D N -0.520 120.117 120.400 0.395 0.000 2.117 833 D HA -0.202 4.438 4.640 0.001 0.000 0.197 833 D C 1.794 178.212 176.300 0.198 0.000 0.987 833 D CA 1.101 55.233 54.000 0.219 0.000 0.829 833 D CB -0.707 40.165 40.800 0.120 0.000 0.961 833 D HN 0.230 nan 8.370 nan 0.000 0.460 834 Y N 1.131 121.576 120.300 0.242 0.000 2.181 834 Y HA -0.171 4.379 4.550 0.001 0.000 0.288 834 Y C 2.516 178.662 175.900 0.411 0.000 1.146 834 Y CA 1.354 59.645 58.100 0.319 0.000 1.164 834 Y CB -0.524 38.254 38.460 0.529 0.000 0.982 834 Y HN -0.095 nan 8.280 nan 0.000 0.515 835 S N -0.473 115.442 115.700 0.359 0.000 2.368 835 S HA -0.205 4.265 4.470 0.001 0.000 0.224 835 S C 2.125 176.838 174.600 0.189 0.000 1.029 835 S CA 1.417 59.763 58.200 0.243 0.000 0.988 835 S CB -0.515 62.835 63.200 0.250 0.000 0.838 835 S HN 0.673 nan 8.310 nan 0.000 0.462 836 E N -0.682 119.623 120.200 0.175 0.000 2.058 836 E HA -0.228 4.122 4.350 0.001 0.000 0.194 836 E C 1.899 178.527 176.600 0.046 0.000 0.997 836 E CA 1.550 58.009 56.400 0.099 0.000 0.801 836 E CB -0.413 29.345 29.700 0.097 0.000 0.746 836 E HN 0.760 nan 8.360 nan 0.000 0.450 837 Y N -0.365 119.886 120.300 -0.082 0.000 2.114 837 Y HA -0.268 4.282 4.550 0.001 0.000 0.282 837 Y C 1.721 177.460 175.900 -0.268 0.000 1.165 837 Y CA 2.204 60.175 58.100 -0.215 0.000 1.148 837 Y CB -0.632 37.627 38.460 -0.335 0.000 0.972 837 Y HN 0.151 nan 8.280 nan 0.000 0.504 838 W N 0.939 122.165 121.300 -0.124 0.000 2.465 838 W HA -0.077 4.584 4.660 0.001 0.000 0.268 838 W C 2.525 178.922 176.519 -0.203 0.000 1.242 838 W CA 1.322 58.535 57.345 -0.219 0.000 1.248 838 W CB -0.165 29.178 29.460 -0.195 0.000 1.118 838 W HN 0.210 nan 8.180 nan 0.000 0.587 839 E N 0.069 120.296 120.200 0.046 0.000 2.028 839 E HA -0.148 4.203 4.350 0.001 0.000 0.191 839 E C 2.497 179.059 176.600 -0.064 0.000 0.988 839 E CA 1.578 57.983 56.400 0.009 0.000 0.799 839 E CB -0.649 29.052 29.700 0.003 0.000 0.755 839 E HN 0.201 nan 8.360 nan 0.000 0.447 840 G N 0.977 109.679 108.800 -0.164 0.000 2.514 840 G HA2 -0.360 3.601 3.960 0.001 0.000 0.217 840 G HA3 -0.360 3.601 3.960 0.001 0.000 0.217 840 G C 1.686 176.440 174.900 -0.243 0.000 1.198 840 G CA 1.519 46.488 45.100 -0.219 0.000 0.780 840 G HN 0.453 nan 8.290 nan 0.000 0.565 841 A N 0.447 123.002 122.820 -0.441 0.000 1.892 841 A HA -0.133 4.188 4.320 0.001 0.000 0.218 841 A C 2.371 180.009 177.584 0.091 0.000 1.188 841 A CA 2.089 53.956 52.037 -0.285 0.000 0.631 841 A CB -0.597 18.034 19.000 -0.615 0.000 0.822 841 A HN 0.351 nan 8.150 nan 0.000 0.447 842 R N -0.643 119.934 120.500 0.129 0.000 2.117 842 R HA -0.170 4.170 4.340 0.001 0.000 0.243 842 R C 2.251 178.657 176.300 0.176 0.000 1.143 842 R CA 1.622 57.837 56.100 0.191 0.000 0.968 842 R CB -0.745 29.622 30.300 0.112 0.000 0.863 842 R HN 0.528 nan 8.270 nan 0.000 0.444 843 G N 0.910 109.752 108.800 0.070 0.000 2.432 843 G HA2 -0.203 3.757 3.960 0.001 0.000 0.219 843 G HA3 -0.203 3.757 3.960 0.001 0.000 0.219 843 G C 1.457 176.359 174.900 0.002 0.000 1.135 843 G CA 0.403 45.517 45.100 0.024 0.000 0.767 843 G HN 0.281 nan 8.290 nan 0.000 0.550 844 L N -1.014 120.190 121.223 -0.032 0.000 2.447 844 L HA -0.010 4.330 4.340 0.001 0.000 0.225 844 L C 1.242 177.902 176.870 -0.351 0.000 1.148 844 L CA 0.587 55.294 54.840 -0.222 0.000 0.808 844 L CB -0.236 41.609 42.059 -0.356 0.000 0.928 844 L HN 0.241 nan 8.230 nan 0.000 0.448 845 Y N -1.618 118.720 120.300 0.064 0.000 2.696 845 Y HA 0.368 4.918 4.550 0.001 0.000 0.260 845 Y C 1.914 177.868 175.900 0.090 0.000 1.165 845 Y CA -0.053 58.143 58.100 0.160 0.000 1.189 845 Y CB -0.082 38.479 38.460 0.168 0.000 1.180 845 Y HN 0.006 nan 8.280 nan 0.000 0.538 846 A N 0.826 123.695 122.820 0.082 0.000 1.927 846 A HA -0.282 4.039 4.320 0.001 0.000 0.220 846 A C 2.413 179.957 177.584 -0.067 0.000 1.185 846 A CA 2.246 54.283 52.037 0.001 0.000 0.639 846 A CB -0.865 18.114 19.000 -0.036 0.000 0.820 846 A HN 0.474 nan 8.150 nan 0.000 0.451 847 A N -1.959 120.752 122.820 -0.182 0.000 2.125 847 A HA 0.111 4.432 4.320 0.001 0.000 0.219 847 A C 1.549 178.822 177.584 -0.518 0.000 1.156 847 A CA 1.291 53.075 52.037 -0.421 0.000 0.671 847 A CB -0.600 18.005 19.000 -0.659 0.000 0.794 847 A HN 0.561 nan 8.150 nan 0.000 0.459 848 F N -0.813 119.197 119.950 0.101 0.000 2.682 848 F HA 0.216 4.743 4.527 0.000 0.000 0.308 848 F C 0.368 175.950 175.800 -0.364 0.000 1.093 848 F CA -0.901 57.132 58.000 0.055 0.000 1.244 848 F CB 0.405 39.477 39.000 0.121 0.000 1.052 848 F HN -0.015 nan 8.300 nan 0.000 0.573 849 D N 0.900 121.229 120.400 -0.119 0.000 2.371 849 D HA 0.004 4.645 4.640 0.001 0.000 0.256 849 D C 1.404 177.502 176.300 -0.336 0.000 1.193 849 D CA -0.051 53.837 54.000 -0.186 0.000 0.881 849 D CB 1.232 41.994 40.800 -0.064 0.000 1.143 849 D HN 0.373 nan 8.370 nan 0.000 0.473 850 C N 1.599 120.664 119.300 -0.390 0.000 2.419 850 C HA -0.091 4.370 4.460 0.001 0.000 0.283 850 C C 2.245 177.149 174.990 -0.143 0.000 1.373 850 C CA 0.845 59.655 59.018 -0.348 0.000 1.781 850 C CB -1.642 25.947 27.740 -0.252 0.000 1.886 850 C HN 0.723 nan 8.230 nan 0.000 0.520 851 T N -1.049 113.438 114.554 -0.111 0.000 3.113 851 T HA 0.175 4.526 4.350 0.001 0.000 0.263 851 T C 1.805 176.484 174.700 -0.035 0.000 1.143 851 T CA 1.254 63.318 62.100 -0.061 0.000 1.090 851 T CB -0.445 68.391 68.868 -0.054 0.000 0.922 851 T HN 0.738 nan 8.240 nan 0.000 0.521 852 A N 1.888 124.692 122.820 -0.028 0.000 2.015 852 A HA 0.022 4.343 4.320 0.001 0.000 0.219 852 A C 2.578 180.183 177.584 0.035 0.000 1.163 852 A CA 1.876 53.918 52.037 0.008 0.000 0.646 852 A CB -0.860 18.156 19.000 0.027 0.000 0.806 852 A HN 0.746 nan 8.150 nan 0.000 0.448 853 T N -4.762 109.821 114.554 0.049 0.000 2.999 853 T HA 0.388 4.738 4.350 0.001 0.000 0.247 853 T C 0.657 175.362 174.700 0.008 0.000 1.012 853 T CA 0.285 62.420 62.100 0.060 0.000 1.048 853 T CB -0.082 68.879 68.868 0.155 0.000 1.020 853 T HN 0.229 nan 8.240 nan 0.000 0.478 854 M N 2.323 121.922 119.600 -0.003 0.000 2.047 854 M HA 0.413 4.893 4.480 0.001 0.000 0.342 854 M C -0.133 176.147 176.300 -0.033 0.000 1.058 854 M CA -0.533 54.756 55.300 -0.018 0.000 0.991 854 M CB 0.866 33.460 32.600 -0.009 0.000 1.474 854 M HN -0.081 nan 8.290 nan 0.000 0.419 855 K N 2.052 122.433 120.400 -0.032 0.000 2.404 855 K HA 0.162 4.482 4.320 0.001 0.000 0.194 855 K C -0.103 176.472 176.600 -0.041 0.000 1.023 855 K CA 0.093 56.359 56.287 -0.034 0.000 1.094 855 K CB 0.252 32.737 32.500 -0.025 0.000 0.841 855 K HN 0.783 nan 8.250 nan 0.000 0.523 856 S N -1.423 114.246 115.700 -0.051 0.000 2.636 856 S HA 0.442 4.913 4.470 0.001 0.000 0.266 856 S C -0.070 174.473 174.600 -0.095 0.000 1.147 856 S CA -0.855 57.308 58.200 -0.062 0.000 0.815 856 S CB 0.909 64.080 63.200 -0.048 0.000 1.119 856 S HN 0.099 nan 8.310 nan 0.000 0.470 857 G N 0.481 109.215 108.800 -0.110 0.000 2.651 857 G HA2 0.470 4.431 3.960 0.001 0.000 0.260 857 G HA3 0.470 4.431 3.960 0.001 0.000 0.260 857 G C -0.641 174.168 174.900 -0.153 0.000 1.216 857 G CA -0.330 44.670 45.100 -0.166 0.000 0.913 857 G HN 0.749 nan 8.290 nan 0.000 0.535 858 N N -1.662 116.910 118.700 -0.214 0.000 2.260 858 N HA 0.193 4.934 4.740 0.001 0.000 0.293 858 N C 0.990 176.404 175.510 -0.160 0.000 1.058 858 N CA -0.089 52.875 53.050 -0.142 0.000 0.824 858 N CB 2.149 40.573 38.487 -0.105 0.000 1.551 858 N HN 0.352 nan 8.380 nan 0.000 0.475 859 S N 0.938 116.591 115.700 -0.078 0.000 2.522 859 S HA -0.114 4.357 4.470 0.001 0.000 0.227 859 S C 0.890 175.435 174.600 -0.092 0.000 0.986 859 S CA 0.815 58.970 58.200 -0.074 0.000 0.929 859 S CB -0.159 63.093 63.200 0.086 0.000 0.769 859 S HN 0.662 nan 8.310 nan 0.000 0.529 860 D N 2.284 122.670 120.400 -0.024 0.000 2.352 860 D HA -0.048 4.592 4.640 0.001 0.000 0.232 860 D C 1.705 178.016 176.300 0.018 0.000 1.055 860 D CA 0.662 54.687 54.000 0.042 0.000 0.891 860 D CB -0.559 40.289 40.800 0.079 0.000 0.897 860 D HN 0.455 nan 8.370 nan 0.000 0.529 861 V N -0.821 119.026 119.914 -0.111 0.000 2.453 861 V HA -0.301 3.820 4.120 0.001 0.000 0.252 861 V C 2.055 178.090 176.094 -0.098 0.000 1.068 861 V CA 1.317 63.542 62.300 -0.124 0.000 1.070 861 V CB -1.885 29.769 31.823 -0.281 0.000 0.664 861 V HN 0.150 nan 8.190 nan 0.000 0.461 862 Y N 1.068 121.396 120.300 0.047 0.000 2.569 862 Y HA -0.116 4.434 4.550 0.000 0.000 0.293 862 Y C 2.626 178.552 175.900 0.043 0.000 1.144 862 Y CA 1.427 59.554 58.100 0.044 0.000 1.321 862 Y CB -0.138 38.345 38.460 0.038 0.000 0.982 862 Y HN 0.419 nan 8.280 nan 0.000 0.558 863 E N 0.807 121.099 120.200 0.154 0.000 2.110 863 E HA -0.098 4.252 4.350 0.001 0.000 0.193 863 E C 1.661 178.306 176.600 0.075 0.000 0.950 863 E CA 0.925 57.389 56.400 0.106 0.000 0.840 863 E CB -0.141 29.610 29.700 0.086 0.000 0.809 863 E HN 0.493 nan 8.360 nan 0.000 0.465 864 N N 0.089 118.814 118.700 0.041 0.000 2.299 864 N HA -0.047 4.694 4.740 0.001 0.000 0.187 864 N C -0.338 175.156 175.510 -0.026 0.000 1.099 864 N CA 0.495 53.536 53.050 -0.014 0.000 0.867 864 N CB 0.147 38.552 38.487 -0.137 0.000 0.974 864 N HN 0.118 nan 8.380 nan 0.000 0.477 865 E N 0.562 120.775 120.200 0.022 0.000 2.450 865 E HA -0.181 4.169 4.350 0.001 0.000 0.244 865 E C -0.723 175.887 176.600 0.018 0.000 1.226 865 E CA 0.285 56.711 56.400 0.042 0.000 0.720 865 E CB -1.283 28.469 29.700 0.087 0.000 1.254 865 E HN 0.585 nan 8.360 nan 0.000 0.399 866 I N 1.146 121.656 120.570 -0.099 0.000 2.452 866 I HA 0.126 4.297 4.170 0.001 0.000 0.287 866 I C -1.803 174.327 176.117 0.021 0.000 1.079 866 I CA -1.943 59.261 61.300 -0.161 0.000 1.387 866 I CB 0.342 38.079 38.000 -0.439 0.000 1.404 866 I HN -0.170 nan 8.210 nan 0.000 0.522 867 P HA -0.006 nan 4.420 nan 0.000 0.269 867 P C 0.988 178.215 177.300 -0.122 0.000 1.217 867 P CA 0.012 63.066 63.100 -0.077 0.000 0.783 867 P CB 0.604 32.272 31.700 -0.054 0.000 0.898 868 G N 1.830 110.397 108.800 -0.388 0.000 2.764 868 G HA2 -0.345 3.615 3.960 0.001 0.000 0.219 868 G HA3 -0.345 3.615 3.960 0.001 0.000 0.219 868 G C 1.751 176.581 174.900 -0.117 0.000 1.259 868 G CA 1.340 46.214 45.100 -0.376 0.000 0.793 868 G HN 0.636 nan 8.290 nan 0.000 0.633 869 G N -0.251 108.485 108.800 -0.106 0.000 2.529 869 G HA2 -0.296 3.664 3.960 0.001 0.000 0.219 869 G HA3 -0.296 3.664 3.960 0.001 0.000 0.219 869 G C 1.827 176.766 174.900 0.065 0.000 1.177 869 G CA 1.316 46.418 45.100 0.004 0.000 0.773 869 G HN 0.523 nan 8.290 nan 0.000 0.573 870 Q N -1.276 118.566 119.800 0.070 0.000 2.291 870 Q HA -0.079 4.262 4.340 0.001 0.000 0.205 870 Q C 2.147 178.221 176.000 0.123 0.000 0.970 870 Q CA 0.686 56.553 55.803 0.108 0.000 0.876 870 Q CB -0.112 28.694 28.738 0.113 0.000 0.935 870 Q HN 0.661 nan 8.270 nan 0.000 0.455 871 Y N 0.076 120.373 120.300 -0.004 0.000 2.457 871 Y HA -0.117 4.433 4.550 0.000 0.000 0.292 871 Y C 2.224 178.146 175.900 0.037 0.000 1.125 871 Y CA 1.104 59.206 58.100 0.003 0.000 1.254 871 Y CB 0.183 38.609 38.460 -0.056 0.000 1.012 871 Y HN -0.027 nan 8.280 nan 0.000 0.555 872 T N -0.170 114.523 114.554 0.232 0.000 2.770 872 T HA -0.107 4.244 4.350 0.001 0.000 0.258 872 T C 1.001 175.874 174.700 0.287 0.000 1.039 872 T CA 1.206 63.426 62.100 0.200 0.000 1.143 872 T CB -0.287 68.638 68.868 0.096 0.000 0.866 872 T HN 0.326 nan 8.240 nan 0.000 0.428 873 N N 1.140 119.987 118.700 0.246 0.000 2.542 873 N HA 0.217 4.958 4.740 0.001 0.000 0.234 873 N C 0.561 176.180 175.510 0.181 0.000 1.257 873 N CA -0.068 53.122 53.050 0.234 0.000 0.883 873 N CB 0.082 38.673 38.487 0.174 0.000 1.197 873 N HN 0.338 nan 8.380 nan 0.000 0.488 874 L N -2.041 119.306 121.223 0.207 0.000 2.753 874 L HA 0.093 4.433 4.340 0.001 0.000 0.238 874 L C 1.580 178.639 176.870 0.315 0.000 1.028 874 L CA 0.029 55.045 54.840 0.294 0.000 0.966 874 L CB 0.117 42.434 42.059 0.429 0.000 1.681 874 L HN 0.362 nan 8.230 nan 0.000 0.511 875 H N -0.426 118.547 119.070 -0.163 0.000 2.557 875 H HA 0.028 4.584 4.556 0.001 0.000 0.281 875 H C 1.934 177.229 175.328 -0.055 0.000 0.990 875 H CA 0.481 56.343 56.048 -0.310 0.000 1.278 875 H CB 0.763 29.994 29.762 -0.885 0.000 1.451 875 H HN 0.230 nan 8.280 nan 0.000 0.516 876 F N 1.673 121.602 119.950 -0.034 0.000 2.102 876 F HA -0.073 4.454 4.527 0.000 0.000 0.298 876 F C 1.635 177.499 175.800 0.108 0.000 1.105 876 F CA 1.307 59.325 58.000 0.030 0.000 1.239 876 F CB -0.114 38.906 39.000 0.033 0.000 0.991 876 F HN 0.084 nan 8.300 nan 0.000 0.474 877 Q N -0.044 119.646 119.800 -0.183 0.000 2.915 877 Q HA 0.438 4.779 4.340 0.001 0.000 0.186 877 Q C 1.198 177.160 176.000 -0.063 0.000 1.106 877 Q CA 0.522 56.191 55.803 -0.223 0.000 0.700 877 Q CB 0.602 29.275 28.738 -0.108 0.000 4.029 877 Q HN 0.367 nan 8.270 nan 0.000 0.362 878 A N 0.479 123.293 122.820 -0.009 0.000 2.765 878 A HA -0.264 4.057 4.320 0.001 0.000 0.286 878 A C 1.015 178.559 177.584 -0.067 0.000 1.457 878 A CA 1.656 53.692 52.037 -0.001 0.000 0.899 878 A CB -2.216 16.815 19.000 0.051 0.000 0.983 878 A HN 0.743 nan 8.150 nan 0.000 0.584 879 H N -0.468 118.516 119.070 -0.144 0.000 2.462 879 H HA -0.054 4.502 4.556 0.001 0.000 0.292 879 H C 2.320 177.596 175.328 -0.086 0.000 1.049 879 H CA 1.691 57.649 56.048 -0.150 0.000 1.334 879 H CB 0.206 29.836 29.762 -0.220 0.000 1.404 879 H HN 0.731 nan 8.280 nan 0.000 0.544 880 S N 0.458 116.190 115.700 0.052 0.000 2.383 880 S HA -0.115 4.356 4.470 0.001 0.000 0.227 880 S C 1.859 176.473 174.600 0.023 0.000 1.026 880 S CA 0.980 59.205 58.200 0.041 0.000 0.981 880 S CB -0.025 63.202 63.200 0.045 0.000 0.818 880 S HN 0.215 nan 8.310 nan 0.000 0.472 881 M N 0.345 119.950 119.600 0.008 0.000 2.561 881 M HA 0.293 4.774 4.480 0.001 0.000 0.238 881 M C 1.028 177.319 176.300 -0.016 0.000 1.131 881 M CA 0.074 55.377 55.300 0.004 0.000 1.046 881 M CB 0.238 32.845 32.600 0.012 0.000 1.532 881 M HN 0.356 nan 8.290 nan 0.000 0.497 882 G N 0.021 108.799 108.800 -0.036 0.000 2.441 882 G HA2 0.033 3.993 3.960 0.001 0.000 0.139 882 G HA3 0.033 3.993 3.960 0.001 0.000 0.139 882 G C -0.125 174.710 174.900 -0.109 0.000 1.067 882 G CA -0.529 44.538 45.100 -0.055 0.000 0.766 882 G HN 0.366 nan 8.290 nan 0.000 0.484 883 L N -2.788 118.309 121.223 -0.209 0.000 7.734 883 L HA -0.011 4.329 4.340 0.001 0.000 0.095 883 L C 1.158 177.838 176.870 -0.317 0.000 1.227 883 L CA 1.357 55.937 54.840 -0.433 0.000 1.430 883 L CB -0.817 41.046 42.059 -0.327 0.000 2.866 883 L HN 1.432 nan 8.230 nan 0.000 1.178 884 G N -0.923 107.679 108.800 -0.331 0.000 2.542 884 G HA2 0.636 4.596 3.960 0.001 0.000 0.311 884 G HA3 0.636 4.596 3.960 0.001 0.000 0.311 884 G C -1.302 173.675 174.900 0.128 0.000 1.298 884 G CA 0.391 45.482 45.100 -0.015 0.000 0.973 884 G HN 0.544 nan 8.290 nan 0.000 0.487 885 S N 0.712 116.518 115.700 0.177 0.000 2.545 885 S HA 0.386 4.856 4.470 0.001 0.000 0.259 885 S C -0.341 174.318 174.600 0.099 0.000 1.092 885 S CA -0.655 57.613 58.200 0.115 0.000 1.054 885 S CB 0.109 63.336 63.200 0.045 0.000 1.146 885 S HN 0.751 nan 8.310 nan 0.000 0.447 886 K N 2.601 123.058 120.400 0.095 0.000 4.361 886 K HA -0.181 4.139 4.320 0.001 0.000 0.294 886 K C -0.027 176.631 176.600 0.097 0.000 0.970 886 K CA 0.465 56.794 56.287 0.070 0.000 0.913 886 K CB -1.301 31.216 32.500 0.029 0.000 1.583 886 K HN 0.675 nan 8.250 nan 0.000 0.438 887 F N 1.418 121.347 119.950 -0.035 0.000 2.365 887 F HA -0.114 4.413 4.527 0.001 0.000 0.300 887 F C 2.288 178.058 175.800 -0.050 0.000 1.090 887 F CA 1.560 59.541 58.000 -0.032 0.000 1.408 887 F CB 0.070 39.018 39.000 -0.086 0.000 1.060 887 F HN 0.368 nan 8.300 nan 0.000 0.534 888 K N 0.664 121.088 120.400 0.040 0.000 2.020 888 K HA -0.259 4.061 4.320 0.001 0.000 0.212 888 K C 1.904 178.440 176.600 -0.106 0.000 1.050 888 K CA 2.294 58.566 56.287 -0.026 0.000 0.929 888 K CB -0.249 32.255 32.500 0.007 0.000 0.714 888 K HN 0.382 nan 8.250 nan 0.000 0.443 889 E N 0.046 120.193 120.200 -0.088 0.000 2.153 889 E HA -0.160 4.190 4.350 0.001 0.000 0.194 889 E C 2.020 178.538 176.600 -0.137 0.000 0.988 889 E CA 1.245 57.593 56.400 -0.087 0.000 0.811 889 E CB 0.003 29.671 29.700 -0.054 0.000 0.746 889 E HN 0.131 nan 8.360 nan 0.000 0.466 890 V N 1.924 121.692 119.914 -0.243 0.000 2.220 890 V HA -0.318 3.803 4.120 0.001 0.000 0.246 890 V C 2.249 178.180 176.094 -0.271 0.000 1.049 890 V CA 1.948 64.059 62.300 -0.314 0.000 1.003 890 V CB -0.514 30.937 31.823 -0.619 0.000 0.634 890 V HN 0.195 nan 8.190 nan 0.000 0.444 891 K N 0.094 120.251 120.400 -0.406 0.000 2.009 891 K HA -0.204 4.116 4.320 0.001 0.000 0.210 891 K C 2.128 178.678 176.600 -0.085 0.000 1.049 891 K CA 1.602 57.731 56.287 -0.262 0.000 0.929 891 K CB -0.308 32.023 32.500 -0.282 0.000 0.714 891 K HN 0.396 nan 8.250 nan 0.000 0.440 892 K N -0.084 120.267 120.400 -0.081 0.000 2.519 892 K HA -0.096 4.225 4.320 0.001 0.000 0.196 892 K C 1.602 178.193 176.600 -0.015 0.000 1.041 892 K CA 0.872 57.140 56.287 -0.032 0.000 0.954 892 K CB 0.117 32.599 32.500 -0.031 0.000 0.774 892 K HN 0.171 nan 8.250 nan 0.000 0.480 893 A N -0.539 122.270 122.820 -0.018 0.000 2.192 893 A HA 0.023 4.343 4.320 0.001 0.000 0.208 893 A C 1.632 179.222 177.584 0.010 0.000 1.220 893 A CA -0.245 51.787 52.037 -0.010 0.000 0.900 893 A CB -0.201 18.786 19.000 -0.021 0.000 0.937 893 A HN 0.305 nan 8.150 nan 0.000 0.487 894 Y N 0.561 120.797 120.300 -0.106 0.000 2.274 894 Y HA -0.193 4.358 4.550 0.000 0.000 0.290 894 Y C 2.075 177.932 175.900 -0.072 0.000 1.145 894 Y CA 1.885 59.927 58.100 -0.097 0.000 1.203 894 Y CB 0.150 38.530 38.460 -0.133 0.000 0.984 894 Y HN 0.121 nan 8.280 nan 0.000 0.533 895 V N 0.120 120.134 119.914 0.167 0.000 2.379 895 V HA -0.242 3.879 4.120 0.001 0.000 0.245 895 V C 1.931 178.040 176.094 0.025 0.000 1.044 895 V CA 2.150 64.511 62.300 0.102 0.000 1.036 895 V CB -0.483 31.379 31.823 0.064 0.000 0.664 895 V HN 0.383 nan 8.190 nan 0.000 0.453 896 E N 0.578 120.775 120.200 -0.005 0.000 2.072 896 E HA -0.152 4.198 4.350 0.001 0.000 0.191 896 E C 2.354 178.902 176.600 -0.087 0.000 0.985 896 E CA 1.225 57.600 56.400 -0.041 0.000 0.801 896 E CB -0.368 29.308 29.700 -0.039 0.000 0.750 896 E HN 0.571 nan 8.360 nan 0.000 0.452 897 A N 1.790 124.545 122.820 -0.109 0.000 1.940 897 A HA -0.306 4.015 4.320 0.001 0.000 0.219 897 A C 1.958 179.432 177.584 -0.184 0.000 1.176 897 A CA 1.973 53.904 52.037 -0.176 0.000 0.631 897 A CB -0.788 18.071 19.000 -0.236 0.000 0.814 897 A HN 0.215 nan 8.150 nan 0.000 0.446 898 N N -0.145 118.466 118.700 -0.147 0.000 2.007 898 N HA -0.214 4.526 4.740 0.001 0.000 0.197 898 N C 1.846 177.323 175.510 -0.055 0.000 1.050 898 N CA 2.245 55.242 53.050 -0.089 0.000 0.856 898 N CB -0.334 38.148 38.487 -0.007 0.000 1.050 898 N HN 0.486 nan 8.380 nan 0.000 0.423 899 Q N -0.269 119.503 119.800 -0.046 0.000 2.170 899 Q HA -0.151 4.189 4.340 0.001 0.000 0.203 899 Q C 2.110 178.061 176.000 -0.082 0.000 0.976 899 Q CA 1.065 56.842 55.803 -0.043 0.000 0.858 899 Q CB -0.393 28.321 28.738 -0.039 0.000 0.907 899 Q HN 0.588 nan 8.270 nan 0.000 0.433 900 M N -0.067 119.445 119.600 -0.145 0.000 2.229 900 M HA -0.090 4.391 4.480 0.001 0.000 0.264 900 M C 1.247 177.408 176.300 -0.232 0.000 1.063 900 M CA 1.249 56.380 55.300 -0.282 0.000 1.114 900 M CB 0.227 32.618 32.600 -0.347 0.000 1.387 900 M HN 0.074 nan 8.290 nan 0.000 0.420 901 L N -0.676 120.500 121.223 -0.077 0.000 2.700 901 L HA 0.344 4.684 4.340 0.001 0.000 0.234 901 L C 0.853 177.831 176.870 0.180 0.000 1.156 901 L CA 0.268 55.176 54.840 0.114 0.000 0.946 901 L CB 0.176 42.268 42.059 0.055 0.000 1.216 901 L HN 0.623 nan 8.230 nan 0.000 0.493 902 G N -0.181 108.669 108.800 0.083 0.000 2.138 902 G HA2 -0.240 3.720 3.960 0.001 0.000 0.193 902 G HA3 -0.240 3.720 3.960 0.001 0.000 0.193 902 G C 0.047 174.979 174.900 0.053 0.000 0.998 902 G CA -0.150 44.992 45.100 0.071 0.000 0.668 902 G HN 0.404 nan 8.290 nan 0.000 0.516 903 D N -0.684 119.745 120.400 0.048 0.000 4.044 903 D HA -0.141 4.499 4.640 0.001 0.000 0.242 903 D C 0.515 176.913 176.300 0.165 0.000 1.076 903 D CA 1.423 55.469 54.000 0.077 0.000 1.171 903 D CB -1.113 39.719 40.800 0.054 0.000 0.866 903 D HN 0.801 nan 8.370 nan 0.000 0.413 904 L N 1.757 123.052 121.223 0.120 0.000 2.335 904 L HA 0.591 4.932 4.340 0.001 0.000 0.268 904 L C 0.938 177.822 176.870 0.023 0.000 1.016 904 L CA -1.500 53.414 54.840 0.124 0.000 0.805 904 L CB 0.728 42.816 42.059 0.049 0.000 1.311 904 L HN 0.079 nan 8.230 nan 0.000 0.456 905 I N 1.141 121.697 120.570 -0.022 0.000 2.379 905 I HA 0.090 4.260 4.170 0.001 0.000 0.290 905 I C 0.010 176.125 176.117 -0.003 0.000 1.063 905 I CA 0.328 61.562 61.300 -0.110 0.000 1.351 905 I CB 0.126 38.093 38.000 -0.054 0.000 1.410 905 I HN 0.317 nan 8.210 nan 0.000 0.505 906 K N 6.126 126.526 120.400 0.000 0.000 2.244 906 K HA 0.511 4.831 4.320 0.001 0.000 0.263 906 K C -0.630 176.016 176.600 0.077 0.000 1.103 906 K CA -0.265 56.049 56.287 0.045 0.000 0.966 906 K CB 0.610 33.163 32.500 0.089 0.000 1.429 906 K HN 0.445 nan 8.250 nan 0.000 0.434 907 V N -0.425 119.558 119.914 0.115 0.000 3.271 907 V HA 0.425 4.545 4.120 0.001 0.000 0.305 907 V C 0.149 176.367 176.094 0.207 0.000 1.303 907 V CA -1.156 61.243 62.300 0.165 0.000 1.038 907 V CB 1.770 33.755 31.823 0.270 0.000 1.197 907 V HN 0.418 nan 8.190 nan 0.000 0.478 908 T N 2.910 117.645 114.554 0.302 0.000 2.845 908 T HA 0.360 4.711 4.350 0.001 0.000 0.288 908 T C -1.997 172.826 174.700 0.205 0.000 0.980 908 T CA -0.914 61.342 62.100 0.259 0.000 1.071 908 T CB 1.580 70.615 68.868 0.278 0.000 0.941 908 T HN 0.683 nan 8.240 nan 0.000 0.487 909 P HA 0.093 nan 4.420 nan 0.000 0.257 909 P C 1.367 178.720 177.300 0.088 0.000 1.281 909 P CA 0.110 63.310 63.100 0.166 0.000 0.826 909 P CB 0.315 32.125 31.700 0.183 0.000 1.237 910 S N 1.915 117.656 115.700 0.068 0.000 2.359 910 S HA -0.175 4.295 4.470 0.001 0.000 0.223 910 S C 2.172 176.721 174.600 -0.084 0.000 1.039 910 S CA 2.485 60.662 58.200 -0.038 0.000 1.042 910 S CB -1.122 62.087 63.200 0.016 0.000 0.915 910 S HN 0.370 nan 8.310 nan 0.000 0.439 911 S N 1.420 117.127 115.700 0.011 0.000 2.383 911 S HA -0.158 4.312 4.470 0.001 0.000 0.229 911 S C 1.979 176.584 174.600 0.008 0.000 1.030 911 S CA 1.490 59.710 58.200 0.032 0.000 1.002 911 S CB -0.786 62.494 63.200 0.134 0.000 0.829 911 S HN 0.691 nan 8.310 nan 0.000 0.467 912 K N 1.169 121.593 120.400 0.042 0.000 2.074 912 K HA -0.106 4.214 4.320 0.001 0.000 0.209 912 K C 2.087 178.655 176.600 -0.053 0.000 1.048 912 K CA 1.858 58.161 56.287 0.026 0.000 0.926 912 K CB -0.415 32.126 32.500 0.068 0.000 0.713 912 K HN 0.507 nan 8.250 nan 0.000 0.444 913 I N 0.607 121.111 120.570 -0.110 0.000 2.315 913 I HA -0.239 3.931 4.170 0.001 0.000 0.248 913 I C 2.110 178.079 176.117 -0.246 0.000 1.117 913 I CA 0.728 61.915 61.300 -0.188 0.000 1.404 913 I CB -0.023 37.793 38.000 -0.307 0.000 1.071 913 I HN -0.029 nan 8.210 nan 0.000 0.419 914 V N 0.668 120.396 119.914 -0.310 0.000 2.548 914 V HA -0.125 3.995 4.120 0.001 0.000 0.249 914 V C 2.353 178.160 176.094 -0.479 0.000 1.055 914 V CA 1.874 63.906 62.300 -0.446 0.000 1.065 914 V CB -1.128 30.342 31.823 -0.588 0.000 0.681 914 V HN 0.573 nan 8.190 nan 0.000 0.462 915 G N -0.959 107.684 108.800 -0.262 0.000 2.813 915 G HA2 -0.096 3.864 3.960 0.001 0.000 0.209 915 G HA3 -0.096 3.864 3.960 0.001 0.000 0.209 915 G C 0.974 175.867 174.900 -0.012 0.000 1.150 915 G CA 0.382 45.451 45.100 -0.052 0.000 0.785 915 G HN 0.481 nan 8.290 nan 0.000 0.535 916 D N -0.362 120.011 120.400 -0.046 0.000 2.338 916 D HA 0.061 4.701 4.640 0.001 0.000 0.208 916 D C 2.145 178.474 176.300 0.047 0.000 0.997 916 D CA -0.134 53.869 54.000 0.005 0.000 0.880 916 D CB 0.331 41.120 40.800 -0.019 0.000 0.980 916 D HN 0.203 nan 8.370 nan 0.000 0.509 917 L N 0.813 122.029 121.223 -0.012 0.000 2.131 917 L HA 0.165 4.506 4.340 0.001 0.000 0.206 917 L C 2.009 178.950 176.870 0.119 0.000 1.087 917 L CA 1.118 55.992 54.840 0.055 0.000 0.767 917 L CB -0.535 41.491 42.059 -0.055 0.000 0.917 917 L HN -0.064 nan 8.230 nan 0.000 0.441 918 A N -1.203 121.622 122.820 0.008 0.000 1.873 918 A HA -0.216 4.104 4.320 0.001 0.000 0.215 918 A C 2.182 179.797 177.584 0.052 0.000 1.186 918 A CA 1.531 53.577 52.037 0.016 0.000 0.616 918 A CB -0.549 18.441 19.000 -0.017 0.000 0.823 918 A HN 0.564 nan 8.150 nan 0.000 0.442 919 Q N -1.821 118.017 119.800 0.063 0.000 2.181 919 Q HA -0.188 4.152 4.340 0.001 0.000 0.205 919 Q C 1.846 177.901 176.000 0.091 0.000 0.980 919 Q CA 1.610 57.449 55.803 0.061 0.000 0.862 919 Q CB -0.295 28.483 28.738 0.067 0.000 0.905 919 Q HN 0.756 nan 8.270 nan 0.000 0.429 920 F N 0.727 120.684 119.950 0.011 0.000 2.102 920 F HA -0.179 4.348 4.527 0.001 0.000 0.298 920 F C 1.962 177.770 175.800 0.013 0.000 1.105 920 F CA 1.431 59.445 58.000 0.023 0.000 1.239 920 F CB -0.040 39.005 39.000 0.075 0.000 0.991 920 F HN -0.020 nan 8.300 nan 0.000 0.474 921 M N -0.702 118.955 119.600 0.096 0.000 2.374 921 M HA -0.150 4.330 4.480 0.001 0.000 0.264 921 M C 1.859 178.104 176.300 -0.092 0.000 1.067 921 M CA 0.775 56.065 55.300 -0.016 0.000 1.103 921 M CB -0.347 32.306 32.600 0.088 0.000 1.402 921 M HN 0.067 nan 8.290 nan 0.000 0.444 922 V N 0.116 119.987 119.914 -0.071 0.000 2.221 922 V HA -0.297 3.824 4.120 0.001 0.000 0.242 922 V C 2.183 178.213 176.094 -0.106 0.000 1.041 922 V CA 2.201 64.456 62.300 -0.074 0.000 0.995 922 V CB -0.729 31.064 31.823 -0.050 0.000 0.635 922 V HN 0.469 nan 8.190 nan 0.000 0.448 923 Q N -0.183 119.540 119.800 -0.127 0.000 2.437 923 Q HA -0.109 4.231 4.340 0.001 0.000 0.210 923 Q C 1.531 177.415 176.000 -0.193 0.000 0.972 923 Q CA 1.202 56.925 55.803 -0.134 0.000 0.903 923 Q CB 0.006 28.679 28.738 -0.110 0.000 0.967 923 Q HN 0.599 nan 8.270 nan 0.000 0.486 924 N N -0.673 117.853 118.700 -0.290 0.000 2.236 924 N HA 0.115 4.856 4.740 0.001 0.000 0.196 924 N C -0.062 175.327 175.510 -0.202 0.000 1.114 924 N CA 0.832 53.693 53.050 -0.315 0.000 0.859 924 N CB 0.968 39.103 38.487 -0.586 0.000 0.982 924 N HN 0.287 nan 8.380 nan 0.000 0.493 925 G N 1.568 110.277 108.800 -0.150 0.000 2.372 925 G HA2 -0.258 3.703 3.960 0.001 0.000 0.297 925 G HA3 -0.258 3.703 3.960 0.001 0.000 0.297 925 G C -0.469 174.386 174.900 -0.075 0.000 1.005 925 G CA 0.246 45.291 45.100 -0.093 0.000 1.173 925 G HN 0.261 nan 8.290 nan 0.000 0.511 926 L N 0.833 122.015 121.223 -0.068 0.000 2.341 926 L HA 0.628 4.968 4.340 0.001 0.000 0.278 926 L C 0.911 177.783 176.870 0.004 0.000 1.005 926 L CA -0.656 54.169 54.840 -0.025 0.000 0.818 926 L CB 2.074 44.128 42.059 -0.008 0.000 1.259 926 L HN 0.432 nan 8.230 nan 0.000 0.418 927 S N 2.207 117.912 115.700 0.008 0.000 2.632 927 S HA 0.296 4.766 4.470 0.001 0.000 0.267 927 S C 1.026 175.639 174.600 0.023 0.000 1.276 927 S CA -0.562 57.644 58.200 0.009 0.000 0.998 927 S CB 1.514 64.715 63.200 0.002 0.000 0.953 927 S HN 0.756 nan 8.310 nan 0.000 0.547 928 R N 0.658 121.161 120.500 0.005 0.000 2.105 928 R HA -0.132 4.209 4.340 0.001 0.000 0.239 928 R C 2.250 178.550 176.300 -0.001 0.000 1.135 928 R CA 1.532 57.625 56.100 -0.012 0.000 0.967 928 R CB -1.031 29.246 30.300 -0.039 0.000 0.861 928 R HN 0.865 nan 8.270 nan 0.000 0.442 929 A N 0.742 123.566 122.820 0.007 0.000 1.969 929 A HA -0.105 4.215 4.320 0.001 0.000 0.218 929 A C 1.008 178.613 177.584 0.035 0.000 1.169 929 A CA 1.105 53.151 52.037 0.016 0.000 0.635 929 A CB -0.069 18.937 19.000 0.010 0.000 0.810 929 A HN 0.430 nan 8.150 nan 0.000 0.445 930 E N -0.890 119.333 120.200 0.040 0.000 2.354 930 E HA 0.484 4.834 4.350 0.001 0.000 0.252 930 E C 0.404 177.060 176.600 0.094 0.000 1.330 930 E CA 0.215 56.647 56.400 0.052 0.000 1.658 930 E CB 0.181 29.899 29.700 0.030 0.000 1.460 930 E HN 0.554 nan 8.360 nan 0.000 0.435 931 A N 0.048 122.947 122.820 0.131 0.000 1.626 931 A HA 0.029 4.350 4.320 0.001 0.000 0.201 931 A C 1.612 179.382 177.584 0.310 0.000 1.920 931 A CA -0.193 51.994 52.037 0.249 0.000 1.499 931 A CB 0.057 19.203 19.000 0.242 0.000 1.498 931 A HN 0.168 nan 8.150 nan 0.000 0.333 932 E N 0.568 120.863 120.200 0.159 0.000 2.150 932 E HA 0.031 4.381 4.350 0.001 0.000 0.193 932 E C 1.815 178.551 176.600 0.227 0.000 0.985 932 E CA 1.587 58.094 56.400 0.180 0.000 0.814 932 E CB -0.031 29.694 29.700 0.042 0.000 0.752 932 E HN 0.623 nan 8.360 nan 0.000 0.466 933 A N -0.304 122.612 122.820 0.160 0.000 1.963 933 A HA 0.049 4.370 4.320 0.001 0.000 0.207 933 A C 1.573 179.233 177.584 0.126 0.000 1.243 933 A CA 0.079 52.190 52.037 0.124 0.000 0.728 933 A CB 0.019 19.067 19.000 0.079 0.000 0.895 933 A HN 0.149 nan 8.150 nan 0.000 0.467 934 Q N 0.443 120.322 119.800 0.132 0.000 2.639 934 Q HA 0.368 4.708 4.340 0.001 0.000 0.301 934 Q C 0.969 177.070 176.000 0.169 0.000 1.029 934 Q CA 0.185 56.056 55.803 0.112 0.000 0.936 934 Q CB -0.114 28.671 28.738 0.079 0.000 1.354 934 Q HN 0.583 nan 8.270 nan 0.000 0.417 935 A N 0.515 123.464 122.820 0.216 0.000 1.887 935 A HA -0.087 4.234 4.320 0.001 0.000 0.210 935 A C 1.762 179.456 177.584 0.184 0.000 1.221 935 A CA 0.786 53.018 52.037 0.326 0.000 0.635 935 A CB -0.105 19.084 19.000 0.314 0.000 0.881 935 A HN 0.587 nan 8.150 nan 0.000 0.456 936 E N 0.470 120.724 120.200 0.089 0.000 2.106 936 E HA -0.140 4.210 4.350 0.001 0.000 0.192 936 E C 0.589 177.199 176.600 0.018 0.000 0.984 936 E CA 1.089 57.510 56.400 0.035 0.000 0.806 936 E CB 0.000 29.709 29.700 0.015 0.000 0.750 936 E HN 0.527 nan 8.360 nan 0.000 0.458 937 E N 0.494 120.705 120.200 0.019 0.000 2.301 937 E HA 0.090 4.440 4.350 0.001 0.000 0.195 937 E C -0.271 176.314 176.600 -0.025 0.000 1.171 937 E CA 0.107 56.507 56.400 -0.001 0.000 1.142 937 E CB -0.008 29.696 29.700 0.006 0.000 1.218 937 E HN 0.128 nan 8.360 nan 0.000 0.448 938 L N 0.051 121.242 121.223 -0.053 0.000 2.540 938 L HA 0.310 4.651 4.340 0.001 0.000 0.256 938 L C -1.258 175.489 176.870 -0.205 0.000 1.001 938 L CA -0.477 54.279 54.840 -0.139 0.000 0.843 938 L CB 2.334 44.257 42.059 -0.226 0.000 1.436 938 L HN -0.059 nan 8.230 nan 0.000 0.410 939 S N 1.447 117.019 115.700 -0.213 0.000 2.653 939 S HA 0.621 5.091 4.470 0.001 0.000 0.272 939 S C -0.458 173.935 174.600 -0.346 0.000 1.221 939 S CA -0.577 57.517 58.200 -0.178 0.000 1.149 939 S CB -0.179 62.989 63.200 -0.054 0.000 1.029 939 S HN 0.340 nan 8.310 nan 0.000 0.481 940 F N 2.316 122.035 119.950 -0.385 0.000 2.426 940 F HA 0.435 4.962 4.527 0.000 0.000 0.309 940 F C -1.511 173.958 175.800 -0.551 0.000 1.246 940 F CA -1.688 55.797 58.000 -0.858 0.000 1.229 940 F CB -0.416 38.254 39.000 -0.550 0.000 1.255 940 F HN 0.309 nan 8.300 nan 0.000 0.558 941 P HA 0.102 nan 4.420 nan 0.000 0.272 941 P C 0.537 177.784 177.300 -0.089 0.000 1.248 941 P CA -0.203 62.820 63.100 -0.129 0.000 0.799 941 P CB 0.547 32.200 31.700 -0.077 0.000 0.997 942 R N 0.409 120.867 120.500 -0.070 0.000 2.057 942 R HA -0.118 4.223 4.340 0.001 0.000 0.229 942 R C 2.344 178.578 176.300 -0.110 0.000 1.136 942 R CA 2.082 58.128 56.100 -0.091 0.000 0.952 942 R CB -0.808 29.446 30.300 -0.077 0.000 0.848 942 R HN 0.647 nan 8.270 nan 0.000 0.430 943 S N -0.091 115.562 115.700 -0.079 0.000 2.392 943 S HA -0.169 4.301 4.470 0.001 0.000 0.232 943 S C 2.035 176.614 174.600 -0.034 0.000 1.041 943 S CA 1.755 59.920 58.200 -0.059 0.000 1.026 943 S CB -0.816 62.356 63.200 -0.047 0.000 0.845 943 S HN 0.141 nan 8.310 nan 0.000 0.465 944 V N 1.498 121.381 119.914 -0.053 0.000 2.244 944 V HA -0.117 4.003 4.120 0.001 0.000 0.244 944 V C 2.684 178.766 176.094 -0.019 0.000 1.042 944 V CA 1.632 63.917 62.300 -0.026 0.000 1.006 944 V CB -0.939 30.826 31.823 -0.097 0.000 0.641 944 V HN 0.455 nan 8.190 nan 0.000 0.446 945 V N 0.037 119.891 119.914 -0.100 0.000 2.282 945 V HA -0.305 3.815 4.120 0.001 0.000 0.249 945 V C 2.540 178.512 176.094 -0.204 0.000 1.057 945 V CA 2.271 64.480 62.300 -0.152 0.000 1.032 945 V CB -0.653 31.087 31.823 -0.139 0.000 0.645 945 V HN 0.632 nan 8.190 nan 0.000 0.447 946 E N -0.733 119.307 120.200 -0.268 0.000 2.051 946 E HA -0.254 4.097 4.350 0.001 0.000 0.192 946 E C 2.093 178.581 176.600 -0.185 0.000 0.991 946 E CA 1.687 57.780 56.400 -0.510 0.000 0.799 946 E CB -0.300 28.972 29.700 -0.713 0.000 0.748 946 E HN 0.679 nan 8.360 nan 0.000 0.449 947 F N 1.789 121.652 119.950 -0.145 0.000 2.126 947 F HA -0.187 4.340 4.527 0.000 0.000 0.299 947 F C 1.996 177.783 175.800 -0.022 0.000 1.096 947 F CA 1.231 59.229 58.000 -0.004 0.000 1.255 947 F CB -0.211 38.801 39.000 0.021 0.000 0.997 947 F HN -0.106 nan 8.300 nan 0.000 0.479 948 L N 0.478 121.526 121.223 -0.292 0.000 2.131 948 L HA -0.222 4.118 4.340 0.001 0.000 0.210 948 L C 2.511 178.873 176.870 -0.845 0.000 1.092 948 L CA 1.662 56.090 54.840 -0.688 0.000 0.759 948 L CB -0.824 40.996 42.059 -0.398 0.000 0.903 948 L HN 0.389 nan 8.230 nan 0.000 0.435 949 Q N -0.332 119.216 119.800 -0.421 0.000 2.403 949 Q HA 0.137 4.477 4.340 0.001 0.000 0.203 949 Q C 1.117 177.030 176.000 -0.144 0.000 0.932 949 Q CA 0.698 56.342 55.803 -0.265 0.000 0.945 949 Q CB 0.470 29.160 28.738 -0.080 0.000 1.045 949 Q HN 0.373 nan 8.270 nan 0.000 0.511 950 G N 0.480 109.199 108.800 -0.135 0.000 2.138 950 G HA2 -0.293 3.667 3.960 0.001 0.000 0.193 950 G HA3 -0.293 3.667 3.960 0.001 0.000 0.193 950 G C 0.105 175.025 174.900 0.035 0.000 0.998 950 G CA 0.057 45.139 45.100 -0.030 0.000 0.668 950 G HN 0.424 nan 8.290 nan 0.000 0.516 951 Y N 0.108 120.350 120.300 -0.097 0.000 2.207 951 Y HA -0.061 4.489 4.550 0.001 0.000 0.287 951 Y C 2.632 178.505 175.900 -0.045 0.000 1.156 951 Y CA 1.934 59.996 58.100 -0.063 0.000 1.182 951 Y CB 0.047 38.480 38.460 -0.045 0.000 0.979 951 Y HN 0.606 nan 8.280 nan 0.000 0.521 952 I N -2.860 117.798 120.570 0.147 0.000 4.009 952 I HA 0.633 4.803 4.170 0.001 0.000 0.331 952 I C 0.538 176.663 176.117 0.013 0.000 1.462 952 I CA 0.256 61.614 61.300 0.097 0.000 1.117 952 I CB 0.649 38.746 38.000 0.162 0.000 1.091 952 I HN 0.012 nan 8.210 nan 0.000 0.410 953 G N 0.124 108.844 108.800 -0.134 0.000 2.371 953 G HA2 0.145 4.106 3.960 0.001 0.000 0.663 953 G HA3 0.145 4.106 3.960 0.001 0.000 0.663 953 G C -1.319 173.269 174.900 -0.521 0.000 1.311 953 G CA -0.517 44.264 45.100 -0.532 0.000 0.985 953 G HN 0.154 nan 8.290 nan 0.000 0.566 954 V N 2.695 122.071 119.914 -0.896 0.000 2.398 954 V HA 0.625 4.745 4.120 0.001 0.000 0.286 954 V C -1.508 174.423 176.094 -0.271 0.000 1.026 954 V CA -1.050 60.940 62.300 -0.517 0.000 0.868 954 V CB 1.637 33.266 31.823 -0.323 0.000 0.982 954 V HN 0.749 nan 8.190 nan 0.000 0.443 955 P HA 0.090 nan 4.420 nan 0.000 0.274 955 P C -0.320 176.974 177.300 -0.011 0.000 1.237 955 P CA -0.380 62.670 63.100 -0.083 0.000 0.793 955 P CB 0.514 32.142 31.700 -0.119 0.000 0.977 956 H N 0.989 120.078 119.070 0.032 0.000 3.145 956 H HA 0.130 4.686 4.556 0.000 0.000 0.263 956 H C 1.289 176.579 175.328 -0.064 0.000 1.057 956 H CA 1.602 57.668 56.048 0.030 0.000 1.477 956 H CB -0.665 29.150 29.762 0.088 0.000 1.529 956 H HN 0.839 nan 8.280 nan 0.000 0.508 957 G N 3.306 111.917 108.800 -0.314 0.000 2.159 957 G HA2 -0.175 3.786 3.960 0.001 0.000 0.227 957 G HA3 -0.175 3.786 3.960 0.001 0.000 0.227 957 G C 0.674 175.468 174.900 -0.177 0.000 0.986 957 G CA 0.295 45.239 45.100 -0.260 0.000 0.651 957 G HN 1.370 nan 8.290 nan 0.000 0.523 958 G N -1.228 107.436 108.800 -0.228 0.000 2.750 958 G HA2 0.162 4.123 3.960 0.001 0.000 0.228 958 G HA3 0.162 4.123 3.960 0.001 0.000 0.228 958 G C 0.011 174.702 174.900 -0.349 0.000 1.367 958 G CA -0.071 44.835 45.100 -0.324 0.000 0.871 958 G HN 1.262 nan 8.290 nan 0.000 0.560 959 F N 1.076 121.007 119.950 -0.032 0.000 2.370 959 F HA 0.541 5.068 4.527 0.000 0.000 0.319 959 F C -1.144 174.673 175.800 0.027 0.000 1.129 959 F CA -1.352 56.649 58.000 0.002 0.000 1.109 959 F CB 0.752 39.718 39.000 -0.057 0.000 1.262 959 F HN 0.292 nan 8.300 nan 0.000 0.534 960 P HA 0.120 nan 4.420 nan 0.000 0.256 960 P C 0.143 177.550 177.300 0.178 0.000 1.689 960 P CA -0.028 63.177 63.100 0.176 0.000 1.124 960 P CB 1.156 32.950 31.700 0.157 0.000 1.766 961 E N 5.351 125.625 120.200 0.123 0.000 2.086 961 E HA -0.200 4.151 4.350 0.001 0.000 0.205 961 E C -0.718 175.920 176.600 0.063 0.000 1.027 961 E CA 2.299 58.747 56.400 0.081 0.000 0.830 961 E CB -1.572 28.159 29.700 0.052 0.000 0.751 961 E HN 0.356 nan 8.360 nan 0.000 0.456 962 P HA -0.168 nan 4.420 nan 0.000 0.216 962 P C 1.554 178.918 177.300 0.105 0.000 1.150 962 P CA 1.272 64.417 63.100 0.075 0.000 0.837 962 P CB -0.281 31.468 31.700 0.081 0.000 0.786 963 F N 1.427 121.373 119.950 -0.006 0.000 2.098 963 F HA -0.040 4.488 4.527 0.001 0.000 0.294 963 F C 2.706 178.472 175.800 -0.056 0.000 1.107 963 F CA 1.184 59.170 58.000 -0.023 0.000 1.234 963 F CB -0.728 38.252 39.000 -0.033 0.000 1.002 963 F HN -0.324 nan 8.300 nan 0.000 0.472 964 R N 0.142 120.569 120.500 -0.122 0.000 2.103 964 R HA -0.186 4.155 4.340 0.001 0.000 0.242 964 R C 2.324 178.452 176.300 -0.286 0.000 1.142 964 R CA 1.897 57.835 56.100 -0.271 0.000 0.960 964 R CB -0.697 29.525 30.300 -0.130 0.000 0.858 964 R HN 0.345 nan 8.270 nan 0.000 0.439 965 S N 0.870 116.469 115.700 -0.168 0.000 2.351 965 S HA -0.174 4.296 4.470 0.001 0.000 0.220 965 S C 1.670 176.180 174.600 -0.150 0.000 1.035 965 S CA 2.031 60.151 58.200 -0.132 0.000 1.031 965 S CB -0.130 63.029 63.200 -0.068 0.000 0.928 965 S HN 0.519 nan 8.310 nan 0.000 0.433 966 K N 0.932 121.243 120.400 -0.148 0.000 2.366 966 K HA 0.099 4.419 4.320 0.001 0.000 0.198 966 K C 1.790 178.307 176.600 -0.139 0.000 1.044 966 K CA 0.722 56.943 56.287 -0.109 0.000 0.973 966 K CB -0.321 32.154 32.500 -0.042 0.000 0.767 966 K HN 0.219 nan 8.250 nan 0.000 0.475 967 V N 2.200 121.944 119.914 -0.283 0.000 2.307 967 V HA -0.195 3.925 4.120 0.001 0.000 0.245 967 V C 2.301 178.291 176.094 -0.173 0.000 1.045 967 V CA 1.429 63.579 62.300 -0.251 0.000 1.024 967 V CB -0.499 30.989 31.823 -0.558 0.000 0.651 967 V HN 0.218 nan 8.190 nan 0.000 0.449 968 L N 0.516 121.611 121.223 -0.213 0.000 2.072 968 L HA -0.029 4.311 4.340 0.001 0.000 0.205 968 L C 1.200 178.002 176.870 -0.114 0.000 1.079 968 L CA 0.729 55.468 54.840 -0.169 0.000 0.752 968 L CB -0.723 41.212 42.059 -0.205 0.000 0.906 968 L HN 0.476 nan 8.230 nan 0.000 0.436 969 K N 0.756 121.094 120.400 -0.103 0.000 4.789 969 K HA -0.313 4.007 4.320 0.001 0.000 0.290 969 K C -0.480 176.085 176.600 -0.058 0.000 0.798 969 K CA 0.716 56.961 56.287 -0.070 0.000 0.860 969 K CB -1.685 30.782 32.500 -0.054 0.000 1.852 969 K HN 0.426 nan 8.250 nan 0.000 0.413 970 D N -1.461 118.904 120.400 -0.059 0.000 2.748 970 D HA -0.172 4.469 4.640 0.001 0.000 0.189 970 D C 0.300 176.572 176.300 -0.047 0.000 0.982 970 D CA 1.435 55.407 54.000 -0.047 0.000 1.017 970 D CB -0.868 39.911 40.800 -0.035 0.000 1.076 970 D HN 0.567 nan 8.370 nan 0.000 0.446 971 L N 2.241 123.429 121.223 -0.058 0.000 2.456 971 L HA 0.207 4.547 4.340 0.001 0.000 0.272 971 L C -1.426 175.414 176.870 -0.050 0.000 1.189 971 L CA -0.907 53.902 54.840 -0.052 0.000 0.846 971 L CB 0.152 42.171 42.059 -0.067 0.000 1.111 971 L HN -0.151 nan 8.230 nan 0.000 0.475 972 P HA 0.168 nan 4.420 nan 0.000 0.276 972 P C -0.937 176.345 177.300 -0.029 0.000 1.243 972 P CA -0.160 62.925 63.100 -0.025 0.000 0.768 972 P CB 0.628 32.322 31.700 -0.010 0.000 0.856 973 R N 1.369 121.837 120.500 -0.054 0.000 2.532 973 R HA 0.461 4.802 4.340 0.001 0.000 0.272 973 R C 0.390 176.653 176.300 -0.061 0.000 1.032 973 R CA -1.084 54.972 56.100 -0.073 0.000 1.089 973 R CB 0.977 31.219 30.300 -0.097 0.000 1.098 973 R HN 0.266 nan 8.270 nan 0.000 0.526 974 V N 0.997 120.870 119.914 -0.068 0.000 3.441 974 V HA -0.028 4.093 4.120 0.001 0.000 0.300 974 V C 0.855 176.921 176.094 -0.046 0.000 1.091 974 V CA 0.402 62.657 62.300 -0.075 0.000 1.099 974 V CB 1.155 32.925 31.823 -0.088 0.000 1.138 974 V HN 0.991 nan 8.190 nan 0.000 0.471 975 E N 0.997 121.175 120.200 -0.037 0.000 2.758 975 E HA 0.530 4.880 4.350 0.001 0.000 0.215 975 E C 0.422 177.029 176.600 0.012 0.000 0.985 975 E CA 0.413 56.805 56.400 -0.013 0.000 1.102 975 E CB 0.837 30.527 29.700 -0.017 0.000 1.042 975 E HN 0.967 nan 8.360 nan 0.000 0.480 976 G N 1.474 110.288 108.800 0.022 0.000 1.884 976 G HA2 -0.087 3.873 3.960 0.001 0.000 0.053 976 G HA3 -0.087 3.873 3.960 0.001 0.000 0.053 976 G C -1.122 173.858 174.900 0.133 0.000 0.780 976 G CA -0.776 44.373 45.100 0.082 0.000 1.118 976 G HN 0.073 nan 8.290 nan 0.000 0.344 977 R N 2.051 122.643 120.500 0.154 0.000 2.234 977 R HA 0.438 4.778 4.340 0.001 0.000 0.324 977 R C -1.486 174.857 176.300 0.072 0.000 1.054 977 R CA -1.499 54.716 56.100 0.191 0.000 0.912 977 R CB 1.451 31.849 30.300 0.164 0.000 1.030 977 R HN 0.126 nan 8.270 nan 0.000 0.455 978 P HA -0.185 nan 4.420 nan 0.000 0.215 978 P C 1.061 178.344 177.300 -0.029 0.000 1.163 978 P CA 1.619 64.693 63.100 -0.044 0.000 0.894 978 P CB 0.098 31.765 31.700 -0.055 0.000 0.791 979 G N -0.178 108.633 108.800 0.018 0.000 2.469 979 G HA2 -0.308 3.653 3.960 0.001 0.000 0.219 979 G HA3 -0.308 3.653 3.960 0.001 0.000 0.219 979 G C 1.681 176.596 174.900 0.025 0.000 1.150 979 G CA 1.246 46.365 45.100 0.032 0.000 0.763 979 G HN 0.372 nan 8.290 nan 0.000 0.561 980 A N 1.091 123.930 122.820 0.031 0.000 1.873 980 A HA -0.079 4.241 4.320 0.001 0.000 0.218 980 A C 2.610 180.194 177.584 -0.000 0.000 1.193 980 A CA 2.829 54.878 52.037 0.021 0.000 0.629 980 A CB -0.727 18.290 19.000 0.028 0.000 0.826 980 A HN 0.924 nan 8.150 nan 0.000 0.447 981 S N -1.949 113.742 115.700 -0.015 0.000 2.605 981 S HA 0.407 4.877 4.470 0.001 0.000 0.217 981 S C 0.116 174.687 174.600 -0.049 0.000 0.958 981 S CA -0.363 57.817 58.200 -0.032 0.000 0.919 981 S CB -0.263 62.912 63.200 -0.042 0.000 0.780 981 S HN 0.166 nan 8.310 nan 0.000 0.507 982 L N 3.936 125.133 121.223 -0.044 0.000 2.292 982 L HA 0.542 4.882 4.340 0.001 0.000 0.284 982 L C -2.320 174.536 176.870 -0.024 0.000 1.065 982 L CA -2.127 52.682 54.840 -0.051 0.000 0.806 982 L CB 0.621 42.648 42.059 -0.054 0.000 1.175 982 L HN 0.047 nan 8.230 nan 0.000 0.431 983 P HA 0.271 nan 4.420 nan 0.000 0.276 983 P C -2.708 174.596 177.300 0.006 0.000 1.230 983 P CA -1.399 61.696 63.100 -0.008 0.000 0.776 983 P CB -0.007 31.688 31.700 -0.009 0.000 0.888 984 P HA 0.094 nan 4.420 nan 0.000 0.268 984 P C -0.302 177.016 177.300 0.030 0.000 1.204 984 P CA -0.275 62.838 63.100 0.022 0.000 0.768 984 P CB 0.473 32.179 31.700 0.009 0.000 0.842 985 L N 3.176 124.428 121.223 0.048 0.000 2.361 985 L HA 0.169 4.509 4.340 0.001 0.000 0.278 985 L C 0.419 177.317 176.870 0.046 0.000 1.113 985 L CA -0.016 54.856 54.840 0.054 0.000 0.849 985 L CB -0.189 41.917 42.059 0.079 0.000 1.155 985 L HN 0.235 nan 8.230 nan 0.000 0.452 986 D N 4.804 125.228 120.400 0.040 0.000 2.429 986 D HA -0.018 4.623 4.640 0.001 0.000 0.253 986 D C 1.104 177.427 176.300 0.038 0.000 1.294 986 D CA 0.434 54.454 54.000 0.033 0.000 1.063 986 D CB 0.259 41.076 40.800 0.029 0.000 1.096 986 D HN 0.649 nan 8.370 nan 0.000 0.516 987 L N 2.234 123.479 121.223 0.036 0.000 2.275 987 L HA -0.150 4.190 4.340 0.001 0.000 0.215 987 L C 2.111 178.999 176.870 0.029 0.000 1.119 987 L CA 0.586 55.448 54.840 0.037 0.000 0.790 987 L CB -0.062 42.020 42.059 0.037 0.000 0.919 987 L HN 0.310 nan 8.230 nan 0.000 0.443 988 Q N -0.287 119.528 119.800 0.025 0.000 2.212 988 Q HA 0.022 4.363 4.340 0.001 0.000 0.199 988 Q C 2.382 178.397 176.000 0.025 0.000 0.950 988 Q CA 1.346 57.162 55.803 0.021 0.000 0.863 988 Q CB -0.279 28.468 28.738 0.015 0.000 0.944 988 Q HN 0.443 nan 8.270 nan 0.000 0.465 989 A N 0.588 123.425 122.820 0.029 0.000 2.066 989 A HA -0.054 4.266 4.320 0.001 0.000 0.218 989 A C 2.065 179.674 177.584 0.042 0.000 1.157 989 A CA 0.653 52.709 52.037 0.032 0.000 0.670 989 A CB -0.364 18.655 19.000 0.031 0.000 0.804 989 A HN 0.280 nan 8.150 nan 0.000 0.453 990 L N -0.123 121.128 121.223 0.047 0.000 2.072 990 L HA -0.061 4.279 4.340 0.001 0.000 0.205 990 L C 2.220 179.125 176.870 0.059 0.000 1.079 990 L CA 2.429 57.305 54.840 0.059 0.000 0.752 990 L CB -0.500 41.594 42.059 0.058 0.000 0.906 990 L HN 0.480 nan 8.230 nan 0.000 0.436 991 E N 0.338 120.564 120.200 0.044 0.000 2.055 991 E HA -0.310 4.040 4.350 0.001 0.000 0.209 991 E C 2.170 178.800 176.600 0.050 0.000 1.036 991 E CA 2.185 58.610 56.400 0.041 0.000 0.849 991 E CB -0.225 29.491 29.700 0.027 0.000 0.767 991 E HN 0.409 nan 8.360 nan 0.000 0.461 992 K N -0.173 120.252 120.400 0.040 0.000 2.209 992 K HA -0.146 4.174 4.320 0.001 0.000 0.204 992 K C 2.290 178.915 176.600 0.041 0.000 1.048 992 K CA 1.266 57.575 56.287 0.037 0.000 0.940 992 K CB -0.097 32.419 32.500 0.027 0.000 0.729 992 K HN 0.274 nan 8.250 nan 0.000 0.451 993 E N 0.794 121.023 120.200 0.049 0.000 2.028 993 E HA -0.146 4.204 4.350 0.001 0.000 0.191 993 E C 1.993 178.630 176.600 0.061 0.000 0.988 993 E CA 0.912 57.342 56.400 0.050 0.000 0.799 993 E CB 0.014 29.753 29.700 0.065 0.000 0.755 993 E HN 0.198 nan 8.360 nan 0.000 0.447 994 L N 0.397 121.691 121.223 0.118 0.000 2.042 994 L HA -0.197 4.143 4.340 0.001 0.000 0.210 994 L C 2.460 179.424 176.870 0.157 0.000 1.076 994 L CA 0.773 55.741 54.840 0.213 0.000 0.749 994 L CB -0.430 41.779 42.059 0.250 0.000 0.893 994 L HN 0.094 nan 8.230 nan 0.000 0.432 995 V N -0.566 119.409 119.914 0.102 0.000 2.307 995 V HA -0.277 3.843 4.120 0.001 0.000 0.245 995 V C 2.080 178.200 176.094 0.044 0.000 1.045 995 V CA 1.801 64.146 62.300 0.075 0.000 1.024 995 V CB -0.490 31.366 31.823 0.055 0.000 0.651 995 V HN 0.441 nan 8.190 nan 0.000 0.449 996 D N -0.726 119.689 120.400 0.025 0.000 2.263 996 D HA -0.151 4.489 4.640 0.001 0.000 0.208 996 D C 2.275 178.559 176.300 -0.026 0.000 0.971 996 D CA 1.326 55.327 54.000 0.002 0.000 0.867 996 D CB 0.256 41.056 40.800 0.000 0.000 0.929 996 D HN 0.362 nan 8.370 nan 0.000 0.492 997 R N -0.321 120.146 120.500 -0.055 0.000 2.086 997 R HA 0.027 4.368 4.340 0.001 0.000 0.194 997 R C 0.699 176.899 176.300 -0.168 0.000 1.312 997 R CA 0.474 56.473 56.100 -0.169 0.000 1.145 997 R CB -0.210 29.904 30.300 -0.309 0.000 1.050 997 R HN -0.010 nan 8.270 nan 0.000 0.479 998 H N 1.252 120.370 119.070 0.080 0.000 2.799 998 H HA 0.358 4.914 4.556 0.001 0.000 0.225 998 H C 0.070 175.422 175.328 0.040 0.000 1.904 998 H CA 0.598 56.680 56.048 0.057 0.000 1.344 998 H CB -0.541 29.296 29.762 0.124 0.000 1.744 998 H HN 0.668 nan 8.280 nan 0.000 0.542 999 G N 1.701 110.555 108.800 0.091 0.000 2.819 999 G HA2 -0.245 3.715 3.960 0.001 0.000 0.682 999 G HA3 -0.245 3.715 3.960 0.001 0.000 0.682 999 G C 0.798 175.736 174.900 0.064 0.000 1.481 999 G CA -0.390 44.744 45.100 0.057 0.000 0.904 999 G HN 0.378 nan 8.290 nan 0.000 0.563 1000 E N 0.953 121.178 120.200 0.042 0.000 1.983 1000 E HA -0.008 4.342 4.350 0.001 0.000 0.202 1000 E C 1.184 177.814 176.600 0.050 0.000 0.944 1000 E CA 1.020 57.443 56.400 0.039 0.000 0.903 1000 E CB -0.344 29.370 29.700 0.024 0.000 0.843 1000 E HN 0.642 nan 8.360 nan 0.000 0.542 1001 E N 1.253 121.478 120.200 0.042 0.000 2.265 1001 E HA 0.174 4.525 4.350 0.001 0.000 0.272 1001 E C -1.234 175.402 176.600 0.060 0.000 1.067 1001 E CA 0.031 56.457 56.400 0.043 0.000 0.900 1001 E CB 0.487 30.206 29.700 0.031 0.000 1.017 1001 E HN -0.089 nan 8.360 nan 0.000 0.431 1002 V N 4.218 124.172 119.914 0.068 0.000 2.789 1002 V HA 0.424 4.544 4.120 0.001 0.000 0.311 1002 V C -0.101 176.028 176.094 0.059 0.000 1.073 1002 V CA -0.456 61.900 62.300 0.093 0.000 0.921 1002 V CB 2.380 34.290 31.823 0.145 0.000 1.009 1002 V HN 0.908 nan 8.190 nan 0.000 0.426 1003 T N 2.781 117.367 114.554 0.053 0.000 2.882 1003 T HA 0.370 4.721 4.350 0.001 0.000 0.287 1003 T C -1.577 173.092 174.700 -0.052 0.000 1.014 1003 T CA -1.536 60.561 62.100 -0.004 0.000 1.049 1003 T CB 1.448 70.308 68.868 -0.014 0.000 1.001 1003 T HN 0.537 nan 8.240 nan 0.000 0.525 1004 P HA -0.041 nan 4.420 nan 0.000 0.222 1004 P C 0.949 178.098 177.300 -0.251 0.000 1.147 1004 P CA 0.907 63.928 63.100 -0.132 0.000 0.790 1004 P CB 0.180 31.805 31.700 -0.126 0.000 0.780 1005 E N 0.297 120.255 120.200 -0.404 0.000 2.077 1005 E HA -0.154 4.197 4.350 0.001 0.000 0.193 1005 E C 1.814 178.154 176.600 -0.433 0.000 0.989 1005 E CA 1.220 57.104 56.400 -0.861 0.000 0.800 1005 E CB -0.804 28.260 29.700 -1.060 0.000 0.746 1005 E HN 0.241 nan 8.360 nan 0.000 0.452 1006 D N -0.171 120.140 120.400 -0.148 0.000 2.149 1006 D HA -0.136 4.505 4.640 0.001 0.000 0.198 1006 D C 1.972 178.114 176.300 -0.263 0.000 0.990 1006 D CA 0.980 54.945 54.000 -0.058 0.000 0.839 1006 D CB -0.282 40.609 40.800 0.152 0.000 0.948 1006 D HN 0.065 nan 8.370 nan 0.000 0.460 1007 V N 1.203 121.032 119.914 -0.142 0.000 2.332 1007 V HA -0.232 3.888 4.120 0.001 0.000 0.248 1007 V C 2.611 178.690 176.094 -0.026 0.000 1.055 1007 V CA 1.246 63.490 62.300 -0.094 0.000 1.038 1007 V CB -0.555 31.244 31.823 -0.040 0.000 0.651 1007 V HN 0.215 nan 8.190 nan 0.000 0.450 1008 L N -0.340 120.918 121.223 0.058 0.000 2.217 1008 L HA -0.066 4.274 4.340 0.001 0.000 0.211 1008 L C 2.551 179.699 176.870 0.464 0.000 1.107 1008 L CA 1.005 56.016 54.840 0.284 0.000 0.783 1008 L CB -0.491 41.838 42.059 0.451 0.000 0.919 1008 L HN 0.307 nan 8.230 nan 0.000 0.442 1009 S N 0.445 116.428 115.700 0.473 0.000 2.345 1009 S HA -0.121 4.349 4.470 0.001 0.000 0.220 1009 S C 2.267 177.007 174.600 0.233 0.000 1.031 1009 S CA 1.168 59.704 58.200 0.559 0.000 0.996 1009 S CB -0.307 63.181 63.200 0.479 0.000 0.882 1009 S HN 0.470 nan 8.310 nan 0.000 0.445 1010 A N 1.680 124.347 122.820 -0.254 0.000 1.978 1010 A HA 0.038 4.358 4.320 0.001 0.000 0.220 1010 A C 2.305 179.944 177.584 0.091 0.000 1.170 1010 A CA 1.789 53.743 52.037 -0.138 0.000 0.636 1010 A CB -1.051 17.752 19.000 -0.328 0.000 0.810 1010 A HN 0.511 nan 8.150 nan 0.000 0.448 1011 A N -0.632 122.234 122.820 0.076 0.000 1.858 1011 A HA -0.119 4.202 4.320 0.001 0.000 0.216 1011 A C 2.209 179.836 177.584 0.071 0.000 1.190 1011 A CA 1.937 54.026 52.037 0.087 0.000 0.617 1011 A CB -0.493 18.545 19.000 0.064 0.000 0.827 1011 A HN 0.435 nan 8.150 nan 0.000 0.443 1012 M N -2.114 117.491 119.600 0.010 0.000 2.117 1012 M HA -0.068 4.412 4.480 0.001 0.000 0.262 1012 M C -0.046 176.146 176.300 -0.179 0.000 1.065 1012 M CA 1.448 56.620 55.300 -0.213 0.000 1.114 1012 M CB -0.864 31.620 32.600 -0.193 0.000 1.361 1012 M HN 0.455 nan 8.290 nan 0.000 0.408 1013 Y N -1.042 119.410 120.300 0.252 0.000 2.544 1013 Y HA 0.243 4.793 4.550 0.000 0.000 0.347 1013 Y C -1.705 174.368 175.900 0.288 0.000 1.089 1013 Y CA -1.901 56.364 58.100 0.276 0.000 1.230 1013 Y CB 0.220 38.856 38.460 0.292 0.000 1.101 1013 Y HN 0.047 nan 8.280 nan 0.000 0.641 1014 P HA -0.263 nan 4.420 nan 0.000 0.218 1014 P C 0.632 178.172 177.300 0.401 0.000 1.165 1014 P CA 2.355 65.650 63.100 0.324 0.000 0.922 1014 P CB 0.351 32.200 31.700 0.247 0.000 0.794 1015 D N -2.394 118.231 120.400 0.375 0.000 2.398 1015 D HA 0.025 4.666 4.640 0.001 0.000 0.210 1015 D C 1.481 178.035 176.300 0.423 0.000 1.094 1015 D CA -0.103 54.143 54.000 0.409 0.000 0.839 1015 D CB -0.960 40.069 40.800 0.382 0.000 0.963 1015 D HN -0.002 nan 8.370 nan 0.000 0.506 1016 V N 0.098 120.220 119.914 0.346 0.000 2.453 1016 V HA -0.115 4.005 4.120 0.001 0.000 0.247 1016 V C 1.934 178.213 176.094 0.310 0.000 1.048 1016 V CA 1.206 63.636 62.300 0.217 0.000 1.049 1016 V CB -0.695 31.164 31.823 0.060 0.000 0.672 1016 V HN 0.211 nan 8.190 nan 0.000 0.457 1017 F N 1.395 121.502 119.950 0.262 0.000 2.146 1017 F HA -0.075 4.452 4.527 0.001 0.000 0.298 1017 F C 2.310 178.207 175.800 0.162 0.000 1.096 1017 F CA 1.344 59.512 58.000 0.280 0.000 1.275 1017 F CB -0.368 38.789 39.000 0.262 0.000 1.008 1017 F HN 0.079 nan 8.300 nan 0.000 0.480 1018 A N 0.170 123.115 122.820 0.209 0.000 1.873 1018 A HA -0.274 4.046 4.320 0.001 0.000 0.218 1018 A C 2.166 179.773 177.584 0.039 0.000 1.193 1018 A CA 2.090 54.173 52.037 0.077 0.000 0.629 1018 A CB -1.558 17.643 19.000 0.335 0.000 0.826 1018 A HN 0.629 nan 8.150 nan 0.000 0.447 1019 H N -2.600 116.543 119.070 0.121 0.000 2.421 1019 H HA -0.128 4.429 4.556 0.001 0.000 0.298 1019 H C 1.966 177.418 175.328 0.207 0.000 1.087 1019 H CA 1.730 57.872 56.048 0.157 0.000 1.330 1019 H CB -0.217 29.646 29.762 0.169 0.000 1.388 1019 H HN 0.643 nan 8.280 nan 0.000 0.526 1020 F N 2.232 122.248 119.950 0.111 0.000 2.128 1020 F HA -0.080 4.447 4.527 0.001 0.000 0.295 1020 F C 2.199 177.989 175.800 -0.015 0.000 1.100 1020 F CA 1.084 59.142 58.000 0.097 0.000 1.260 1020 F CB -0.102 38.886 39.000 -0.020 0.000 1.009 1020 F HN -0.220 nan 8.300 nan 0.000 0.476 1021 K N 0.535 120.561 120.400 -0.624 0.000 2.148 1021 K HA -0.131 4.189 4.320 0.001 0.000 0.204 1021 K C 1.703 178.118 176.600 -0.309 0.000 1.050 1021 K CA 1.301 57.169 56.287 -0.699 0.000 0.942 1021 K CB -0.622 31.374 32.500 -0.840 0.000 0.724 1021 K HN 0.348 nan 8.250 nan 0.000 0.446 1022 D N -0.050 120.262 120.400 -0.147 0.000 2.144 1022 D HA -0.134 4.506 4.640 0.001 0.000 0.200 1022 D C 1.705 177.964 176.300 -0.069 0.000 0.978 1022 D CA 0.670 54.627 54.000 -0.071 0.000 0.833 1022 D CB -0.195 40.583 40.800 -0.037 0.000 0.961 1022 D HN 0.096 nan 8.370 nan 0.000 0.470 1023 F N 1.732 121.592 119.950 -0.151 0.000 2.084 1023 F HA -0.208 4.320 4.527 0.001 0.000 0.296 1023 F C 2.565 178.290 175.800 -0.124 0.000 1.111 1023 F CA 2.169 60.092 58.000 -0.128 0.000 1.224 1023 F CB -0.634 38.224 39.000 -0.236 0.000 0.991 1023 F HN -0.038 nan 8.300 nan 0.000 0.471 1024 T N -1.240 113.291 114.554 -0.039 0.000 2.833 1024 T HA -0.091 4.259 4.350 0.001 0.000 0.269 1024 T C 2.075 176.655 174.700 -0.200 0.000 1.054 1024 T CA 0.924 62.952 62.100 -0.121 0.000 1.135 1024 T CB -1.054 67.703 68.868 -0.185 0.000 0.869 1024 T HN 0.290 nan 8.240 nan 0.000 0.466 1025 A N 1.700 124.387 122.820 -0.222 0.000 1.930 1025 A HA -0.012 4.308 4.320 0.001 0.000 0.217 1025 A C 2.596 180.014 177.584 -0.278 0.000 1.175 1025 A CA 1.954 53.870 52.037 -0.202 0.000 0.627 1025 A CB -1.260 17.642 19.000 -0.162 0.000 0.815 1025 A HN 0.574 nan 8.150 nan 0.000 0.443 1026 T N -1.427 112.863 114.554 -0.439 0.000 2.851 1026 T HA 0.050 4.400 4.350 0.001 0.000 0.262 1026 T C 1.121 175.317 174.700 -0.839 0.000 1.043 1026 T CA 1.290 62.957 62.100 -0.721 0.000 1.140 1026 T CB -0.289 67.934 68.868 -1.075 0.000 0.872 1026 T HN 0.467 nan 8.240 nan 0.000 0.446 1027 F N 0.730 120.371 119.950 -0.514 0.000 2.682 1027 F HA 0.461 4.988 4.527 0.001 0.000 0.308 1027 F C 1.588 177.213 175.800 -0.292 0.000 1.093 1027 F CA -0.192 57.513 58.000 -0.492 0.000 1.244 1027 F CB 0.412 38.899 39.000 -0.855 0.000 1.052 1027 F HN 0.347 nan 8.300 nan 0.000 0.573 1028 G N 1.418 110.161 108.800 -0.094 0.000 2.796 1028 G HA2 -0.207 3.754 3.960 0.001 0.000 0.226 1028 G HA3 -0.207 3.754 3.960 0.001 0.000 0.226 1028 G C -3.008 171.895 174.900 0.006 0.000 1.381 1028 G CA -1.300 43.777 45.100 -0.039 0.000 0.867 1028 G HN -0.033 nan 8.290 nan 0.000 0.552 1029 P HA 0.462 nan 4.420 nan 0.000 0.287 1029 P C 0.763 178.113 177.300 0.084 0.000 1.307 1029 P CA -0.344 62.804 63.100 0.080 0.000 0.777 1029 P CB 0.468 32.213 31.700 0.075 0.000 0.883 1030 L N 1.836 123.130 121.223 0.117 0.000 2.585 1030 L HA 0.049 4.389 4.340 0.001 0.000 0.226 1030 L C 1.530 178.453 176.870 0.089 0.000 1.113 1030 L CA 0.283 55.182 54.840 0.098 0.000 0.876 1030 L CB -0.436 41.689 42.059 0.110 0.000 1.072 1030 L HN 0.255 nan 8.230 nan 0.000 0.468 1031 D N -0.921 119.533 120.400 0.091 0.000 2.221 1031 D HA -0.231 4.409 4.640 0.001 0.000 0.204 1031 D C 2.047 178.408 176.300 0.101 0.000 0.982 1031 D CA 1.213 55.249 54.000 0.059 0.000 0.857 1031 D CB -0.298 40.557 40.800 0.090 0.000 0.934 1031 D HN 0.088 nan 8.370 nan 0.000 0.475 1032 S N -1.055 114.715 115.700 0.115 0.000 2.507 1032 S HA -0.004 4.467 4.470 0.001 0.000 0.235 1032 S C 0.583 175.286 174.600 0.171 0.000 0.988 1032 S CA -0.413 57.877 58.200 0.151 0.000 0.944 1032 S CB -0.414 62.853 63.200 0.111 0.000 0.762 1032 S HN 0.230 nan 8.310 nan 0.000 0.526 1033 L N 2.933 124.203 121.223 0.079 0.000 2.375 1033 L HA 0.377 4.718 4.340 0.001 0.000 0.271 1033 L C 0.324 177.016 176.870 -0.296 0.000 1.107 1033 L CA -0.327 54.514 54.840 0.002 0.000 0.806 1033 L CB 0.749 42.865 42.059 0.096 0.000 1.146 1033 L HN 0.207 nan 8.230 nan 0.000 0.447 1034 N N 1.868 120.374 118.700 -0.322 0.000 2.492 1034 N HA -0.064 4.677 4.740 0.001 0.000 0.260 1034 N C 0.223 175.567 175.510 -0.277 0.000 1.215 1034 N CA 0.321 53.061 53.050 -0.517 0.000 0.923 1034 N CB 0.942 39.304 38.487 -0.207 0.000 1.092 1034 N HN 0.778 nan 8.380 nan 0.000 0.448 1035 T N 3.429 117.812 114.554 -0.285 0.000 2.674 1035 T HA -0.173 4.177 4.350 0.001 0.000 0.265 1035 T C 1.839 176.508 174.700 -0.051 0.000 1.039 1035 T CA 1.117 63.139 62.100 -0.130 0.000 1.150 1035 T CB -0.219 68.533 68.868 -0.193 0.000 0.864 1035 T HN 0.628 nan 8.240 nan 0.000 0.427 1036 R N 0.359 120.792 120.500 -0.112 0.000 2.105 1036 R HA -0.058 4.282 4.340 0.001 0.000 0.239 1036 R C 2.313 178.570 176.300 -0.072 0.000 1.135 1036 R CA 1.045 57.085 56.100 -0.100 0.000 0.967 1036 R CB -0.390 29.842 30.300 -0.114 0.000 0.861 1036 R HN 0.235 nan 8.270 nan 0.000 0.442 1037 L N 0.272 121.447 121.223 -0.080 0.000 2.046 1037 L HA -0.168 4.172 4.340 0.001 0.000 0.208 1037 L C 2.122 179.034 176.870 0.070 0.000 1.077 1037 L CA 1.677 56.467 54.840 -0.084 0.000 0.747 1037 L CB -0.999 40.985 42.059 -0.125 0.000 0.896 1037 L HN 0.237 nan 8.230 nan 0.000 0.432 1038 F N 0.026 119.979 119.950 0.005 0.000 2.171 1038 F HA -0.213 4.314 4.527 0.001 0.000 0.300 1038 F C 2.228 178.135 175.800 0.177 0.000 1.090 1038 F CA 1.495 59.581 58.000 0.143 0.000 1.293 1038 F CB -0.005 39.030 39.000 0.058 0.000 1.013 1038 F HN -0.021 nan 8.300 nan 0.000 0.486 1039 L N -0.355 120.935 121.223 0.113 0.000 2.202 1039 L HA -0.052 4.288 4.340 0.001 0.000 0.205 1039 L C 2.118 178.947 176.870 -0.069 0.000 1.083 1039 L CA 1.301 56.160 54.840 0.032 0.000 0.790 1039 L CB -0.375 41.761 42.059 0.129 0.000 0.942 1039 L HN 0.308 nan 8.230 nan 0.000 0.452 1040 Q N -0.803 118.950 119.800 -0.078 0.000 2.157 1040 Q HA 0.340 4.680 4.340 0.001 0.000 0.235 1040 Q C 0.652 176.580 176.000 -0.120 0.000 0.803 1040 Q CA 0.387 56.126 55.803 -0.107 0.000 0.967 1040 Q CB 1.280 29.962 28.738 -0.094 0.000 1.150 1040 Q HN 0.172 nan 8.270 nan 0.000 0.482 1041 G N 2.105 110.838 108.800 -0.113 0.000 2.725 1041 G HA2 -0.181 3.780 3.960 0.001 0.000 0.220 1041 G HA3 -0.181 3.780 3.960 0.001 0.000 0.220 1041 G C -2.818 172.002 174.900 -0.134 0.000 1.357 1041 G CA -0.410 44.627 45.100 -0.104 0.000 0.866 1041 G HN 0.266 nan 8.290 nan 0.000 0.548 1042 P HA 0.499 nan 4.420 nan 0.000 0.278 1042 P C -0.707 176.562 177.300 -0.052 0.000 1.258 1042 P CA -0.461 62.540 63.100 -0.166 0.000 0.811 1042 P CB 1.251 32.962 31.700 0.018 0.000 1.063 1043 K N 1.591 121.972 120.400 -0.033 0.000 2.234 1043 K HA 0.316 4.636 4.320 0.001 0.000 0.282 1043 K C -0.305 176.325 176.600 0.051 0.000 1.039 1043 K CA -0.540 55.749 56.287 0.002 0.000 0.928 1043 K CB -0.587 31.912 32.500 -0.002 0.000 1.039 1043 K HN 0.207 nan 8.250 nan 0.000 0.470 1044 I N 4.501 125.088 120.570 0.028 0.000 2.845 1044 I HA -0.057 4.113 4.170 0.001 0.000 0.296 1044 I C 1.121 177.267 176.117 0.050 0.000 1.216 1044 I CA 1.922 63.242 61.300 0.033 0.000 1.438 1044 I CB 0.458 38.461 38.000 0.005 0.000 1.342 1044 I HN 0.906 nan 8.210 nan 0.000 0.577 1045 A N 4.241 127.100 122.820 0.065 0.000 3.930 1045 A HA -0.273 4.047 4.320 0.001 0.000 0.267 1045 A C 0.895 178.534 177.584 0.093 0.000 0.971 1045 A CA 1.186 53.262 52.037 0.065 0.000 1.197 1045 A CB -2.014 17.009 19.000 0.038 0.000 1.073 1045 A HN 0.749 nan 8.150 nan 0.000 0.871 1046 E N 1.644 121.919 120.200 0.125 0.000 2.052 1046 E HA 0.432 4.782 4.350 0.001 0.000 0.283 1046 E C 0.203 176.963 176.600 0.267 0.000 1.071 1046 E CA -0.322 56.169 56.400 0.153 0.000 0.851 1046 E CB 0.333 30.103 29.700 0.117 0.000 1.066 1046 E HN 0.361 nan 8.360 nan 0.000 0.396 1047 E N 3.672 123.989 120.200 0.196 0.000 2.413 1047 E HA 0.163 4.514 4.350 0.001 0.000 0.263 1047 E C -0.540 176.239 176.600 0.298 0.000 1.015 1047 E CA 0.261 56.766 56.400 0.175 0.000 0.916 1047 E CB 0.309 30.061 29.700 0.087 0.000 0.947 1047 E HN 0.491 nan 8.360 nan 0.000 0.440 1048 F N -0.011 120.003 119.950 0.108 0.000 2.745 1048 F HA 0.567 5.094 4.527 0.001 0.000 0.316 1048 F C -0.973 174.897 175.800 0.117 0.000 1.155 1048 F CA -1.184 56.877 58.000 0.102 0.000 0.937 1048 F CB 1.031 40.080 39.000 0.081 0.000 1.361 1048 F HN 0.132 nan 8.300 nan 0.000 0.472 1049 E N 0.498 120.854 120.200 0.259 0.000 2.212 1049 E HA 0.742 5.093 4.350 0.001 0.000 0.268 1049 E C -1.567 175.167 176.600 0.223 0.000 0.902 1049 E CA -0.954 55.507 56.400 0.101 0.000 0.779 1049 E CB 2.492 32.236 29.700 0.073 0.000 1.172 1049 E HN 0.608 nan 8.360 nan 0.000 0.409 1050 V N 3.262 123.235 119.914 0.099 0.000 2.559 1050 V HA 0.187 4.307 4.120 0.001 0.000 0.289 1050 V C -1.405 174.716 176.094 0.045 0.000 1.036 1050 V CA -0.932 61.452 62.300 0.140 0.000 0.887 1050 V CB 1.473 33.432 31.823 0.227 0.000 1.022 1050 V HN 0.628 nan 8.190 nan 0.000 0.442 1051 E N 5.015 125.243 120.200 0.047 0.000 2.194 1051 E HA 0.427 4.778 4.350 0.001 0.000 0.284 1051 E C -0.349 176.277 176.600 0.045 0.000 1.035 1051 E CA -0.288 56.124 56.400 0.020 0.000 0.836 1051 E CB 1.000 30.711 29.700 0.019 0.000 1.070 1051 E HN 0.537 nan 8.360 nan 0.000 0.401 1052 L N 4.275 125.516 121.223 0.030 0.000 2.505 1052 L HA 0.030 4.370 4.340 0.001 0.000 0.279 1052 L C -0.186 176.707 176.870 0.039 0.000 1.211 1052 L CA -0.067 54.797 54.840 0.040 0.000 1.059 1052 L CB -0.510 41.566 42.059 0.028 0.000 1.340 1052 L HN 0.555 nan 8.230 nan 0.000 0.447 1053 E N 3.968 124.200 120.200 0.053 0.000 2.912 1053 E HA -0.251 4.100 4.350 0.001 0.000 0.194 1053 E C 0.621 177.242 176.600 0.036 0.000 1.990 1053 E CA 0.602 57.032 56.400 0.050 0.000 0.758 1053 E CB -0.558 29.173 29.700 0.052 0.000 1.013 1053 E HN 0.729 nan 8.360 nan 0.000 0.334 1054 R N -0.161 120.359 120.500 0.033 0.000 3.750 1054 R HA -0.387 3.953 4.340 0.001 0.000 0.495 1054 R C 1.538 177.847 176.300 0.016 0.000 0.241 1054 R CA 2.029 58.144 56.100 0.024 0.000 1.551 1054 R CB -1.890 28.424 30.300 0.024 0.000 0.956 1054 R HN 0.922 nan 8.270 nan 0.000 0.584 1055 G N 1.199 110.008 108.800 0.014 0.000 4.217 1055 G HA2 -0.464 3.496 3.960 0.001 0.000 0.366 1055 G HA3 -0.464 3.496 3.960 0.001 0.000 0.366 1055 G C -0.071 174.830 174.900 0.002 0.000 1.707 1055 G CA 1.960 47.066 45.100 0.010 0.000 1.697 1055 G HN 0.822 nan 8.290 nan 0.000 0.855 1056 K N 0.018 120.416 120.400 -0.003 0.000 2.221 1056 K HA 0.730 5.051 4.320 0.001 0.000 0.243 1056 K C -1.174 175.402 176.600 -0.041 0.000 0.968 1056 K CA -0.464 55.813 56.287 -0.018 0.000 0.846 1056 K CB 1.824 34.314 32.500 -0.016 0.000 1.141 1056 K HN 0.216 nan 8.250 nan 0.000 0.434 1057 T N 1.914 116.422 114.554 -0.077 0.000 2.786 1057 T HA 0.354 4.705 4.350 0.001 0.000 0.283 1057 T C -0.449 174.110 174.700 -0.235 0.000 0.992 1057 T CA -0.788 61.211 62.100 -0.168 0.000 0.954 1057 T CB 0.377 69.112 68.868 -0.223 0.000 0.934 1057 T HN 0.376 nan 8.240 nan 0.000 0.440 1058 L N 4.677 125.765 121.223 -0.223 0.000 2.277 1058 L HA 0.358 4.698 4.340 0.001 0.000 0.284 1058 L C 0.179 176.877 176.870 -0.288 0.000 1.028 1058 L CA -0.939 53.781 54.840 -0.202 0.000 0.835 1058 L CB 0.408 42.400 42.059 -0.112 0.000 1.215 1058 L HN 0.597 nan 8.230 nan 0.000 0.425 1059 H N 5.394 124.401 119.070 -0.105 0.000 2.800 1059 H HA 0.436 4.992 4.556 0.001 0.000 0.291 1059 H C -0.213 174.970 175.328 -0.242 0.000 1.076 1059 H CA 0.069 56.023 56.048 -0.156 0.000 1.452 1059 H CB 1.218 30.929 29.762 -0.085 0.000 1.461 1059 H HN 0.450 nan 8.280 nan 0.000 0.488 1060 I N 2.489 122.821 120.570 -0.398 0.000 2.689 1060 I HA 0.348 4.519 4.170 0.001 0.000 0.299 1060 I C -0.014 175.824 176.117 -0.466 0.000 1.059 1060 I CA -0.792 60.207 61.300 -0.502 0.000 1.055 1060 I CB 2.498 40.051 38.000 -0.744 0.000 1.243 1060 I HN 0.246 nan 8.210 nan 0.000 0.425 1061 K N 3.720 124.090 120.400 -0.050 0.000 2.581 1061 K HA 0.673 4.993 4.320 0.001 0.000 0.249 1061 K C -1.303 175.470 176.600 0.288 0.000 0.966 1061 K CA -0.506 55.864 56.287 0.140 0.000 0.811 1061 K CB 2.162 34.718 32.500 0.092 0.000 1.223 1061 K HN 0.781 nan 8.250 nan 0.000 0.438 1062 A N 4.738 127.761 122.820 0.339 0.000 2.401 1062 A HA 0.353 4.674 4.320 0.001 0.000 0.259 1062 A C 0.574 178.172 177.584 0.024 0.000 1.103 1062 A CA -0.251 51.859 52.037 0.122 0.000 0.789 1062 A CB 0.249 19.319 19.000 0.117 0.000 1.035 1062 A HN 0.832 nan 8.150 nan 0.000 0.491 1063 L N 0.976 122.160 121.223 -0.064 0.000 2.541 1063 L HA 0.538 4.879 4.340 0.001 0.000 0.187 1063 L C 0.962 177.841 176.870 0.015 0.000 1.098 1063 L CA 0.901 55.746 54.840 0.009 0.000 0.846 1063 L CB -0.136 41.954 42.059 0.051 0.000 1.151 1063 L HN 0.811 nan 8.230 nan 0.000 0.492 1064 A N -0.649 122.203 122.820 0.053 0.000 2.586 1064 A HA 0.667 4.988 4.320 0.001 0.000 0.290 1064 A C -1.738 175.911 177.584 0.108 0.000 1.086 1064 A CA -0.374 51.720 52.037 0.095 0.000 0.665 1064 A CB 1.579 20.651 19.000 0.120 0.000 1.279 1064 A HN -0.192 nan 8.150 nan 0.000 0.423 1065 V N 1.738 121.691 119.914 0.065 0.000 2.531 1065 V HA 0.616 4.737 4.120 0.001 0.000 0.301 1065 V C 0.635 176.764 176.094 0.060 0.000 1.034 1065 V CA -0.032 62.268 62.300 0.001 0.000 0.865 1065 V CB 1.603 33.397 31.823 -0.049 0.000 0.995 1065 V HN 1.336 nan 8.190 nan 0.000 0.424 1066 S N 3.069 118.806 115.700 0.062 0.000 2.634 1066 S HA 0.382 4.852 4.470 0.001 0.000 0.261 1066 S C -0.098 174.525 174.600 0.038 0.000 1.271 1066 S CA -0.684 57.578 58.200 0.102 0.000 0.985 1066 S CB 0.866 64.155 63.200 0.147 0.000 0.968 1066 S HN 0.649 nan 8.310 nan 0.000 0.568 1067 D N 0.222 120.646 120.400 0.040 0.000 2.372 1067 D HA 0.262 4.902 4.640 0.001 0.000 0.243 1067 D C 0.003 176.311 176.300 0.013 0.000 1.297 1067 D CA -0.116 53.896 54.000 0.020 0.000 0.958 1067 D CB 0.058 40.870 40.800 0.020 0.000 1.114 1067 D HN 0.490 nan 8.370 nan 0.000 0.496 1068 L N 1.477 122.705 121.223 0.008 0.000 2.331 1068 L HA 0.144 4.484 4.340 0.001 0.000 0.278 1068 L C 0.593 177.468 176.870 0.008 0.000 1.106 1068 L CA -0.669 54.174 54.840 0.005 0.000 0.824 1068 L CB 0.316 42.378 42.059 0.004 0.000 1.142 1068 L HN 0.354 nan 8.230 nan 0.000 0.443 1069 N N 1.984 120.688 118.700 0.006 0.000 2.458 1069 N HA 0.245 4.986 4.740 0.001 0.000 0.271 1069 N C 0.607 176.121 175.510 0.007 0.000 1.210 1069 N CA -0.775 52.280 53.050 0.008 0.000 0.978 1069 N CB 0.548 39.038 38.487 0.006 0.000 1.206 1069 N HN 0.282 nan 8.380 nan 0.000 0.536 1070 R N 0.109 120.613 120.500 0.007 0.000 2.140 1070 R HA -0.166 4.174 4.340 0.001 0.000 0.250 1070 R C 1.450 177.755 176.300 0.007 0.000 1.150 1070 R CA 2.337 58.441 56.100 0.007 0.000 0.966 1070 R CB -0.962 29.342 30.300 0.007 0.000 0.869 1070 R HN 0.785 nan 8.270 nan 0.000 0.445 1071 A N -0.472 122.352 122.820 0.006 0.000 2.261 1071 A HA 0.291 4.612 4.320 0.001 0.000 0.208 1071 A C 1.328 178.918 177.584 0.010 0.000 1.223 1071 A CA 0.642 52.683 52.037 0.007 0.000 0.833 1071 A CB -0.589 18.413 19.000 0.004 0.000 0.830 1071 A HN 0.472 nan 8.150 nan 0.000 0.483 1072 G N -1.244 107.562 108.800 0.010 0.000 2.153 1072 G HA2 -0.275 3.685 3.960 0.001 0.000 0.252 1072 G HA3 -0.275 3.685 3.960 0.001 0.000 0.252 1072 G C 0.072 174.980 174.900 0.013 0.000 0.994 1072 G CA 0.618 45.726 45.100 0.012 0.000 0.698 1072 G HN 0.663 nan 8.290 nan 0.000 0.521 1073 Q N -0.963 118.841 119.800 0.006 0.000 2.204 1073 Q HA 0.785 5.125 4.340 0.001 0.000 0.254 1073 Q C 0.444 176.437 176.000 -0.012 0.000 0.981 1073 Q CA -0.658 55.145 55.803 -0.001 0.000 0.897 1073 Q CB 1.226 29.957 28.738 -0.011 0.000 1.273 1073 Q HN 0.387 nan 8.270 nan 0.000 0.464 1074 R N 0.519 121.003 120.500 -0.026 0.000 2.750 1074 R HA 0.295 4.635 4.340 0.001 0.000 0.281 1074 R C -1.074 175.163 176.300 -0.106 0.000 0.972 1074 R CA -0.694 55.377 56.100 -0.049 0.000 0.912 1074 R CB 1.946 32.220 30.300 -0.044 0.000 1.187 1074 R HN 0.488 nan 8.270 nan 0.000 0.464 1075 Q N 1.431 121.135 119.800 -0.160 0.000 2.259 1075 Q HA 0.457 4.797 4.340 0.001 0.000 0.249 1075 Q C -1.185 174.468 176.000 -0.579 0.000 0.914 1075 Q CA -0.551 55.039 55.803 -0.355 0.000 0.904 1075 Q CB 1.559 30.081 28.738 -0.361 0.000 1.213 1075 Q HN 0.330 nan 8.270 nan 0.000 0.428 1076 V N 4.108 123.609 119.914 -0.689 0.000 2.588 1076 V HA 0.441 4.561 4.120 0.001 0.000 0.304 1076 V C -1.073 174.518 176.094 -0.840 0.000 1.042 1076 V CA -0.720 61.179 62.300 -0.669 0.000 0.877 1076 V CB 1.315 32.928 31.823 -0.350 0.000 0.996 1076 V HN 0.626 nan 8.190 nan 0.000 0.425 1077 F N 4.301 124.070 119.950 -0.302 0.000 2.420 1077 F HA 0.745 5.273 4.527 0.001 0.000 0.342 1077 F C -0.259 175.315 175.800 -0.377 0.000 1.113 1077 F CA -0.454 57.420 58.000 -0.211 0.000 1.059 1077 F CB 1.203 40.140 39.000 -0.105 0.000 1.128 1077 F HN 0.282 nan 8.300 nan 0.000 0.475 1078 F N 0.562 120.625 119.950 0.189 0.000 2.577 1078 F HA 0.379 4.906 4.527 0.001 0.000 0.318 1078 F C -0.133 175.725 175.800 0.097 0.000 1.065 1078 F CA -1.055 57.017 58.000 0.121 0.000 0.929 1078 F CB 1.855 40.905 39.000 0.083 0.000 1.237 1078 F HN 0.368 nan 8.300 nan 0.000 0.468 1079 E N 2.265 122.627 120.200 0.270 0.000 2.146 1079 E HA 0.459 4.809 4.350 0.001 0.000 0.282 1079 E C -1.559 175.109 176.600 0.115 0.000 0.989 1079 E CA -0.687 55.804 56.400 0.152 0.000 0.799 1079 E CB 1.340 31.096 29.700 0.092 0.000 1.088 1079 E HN 0.533 nan 8.360 nan 0.000 0.397 1080 L N 5.867 127.139 121.223 0.082 0.000 2.388 1080 L HA 0.368 4.708 4.340 0.001 0.000 0.267 1080 L C -1.032 175.858 176.870 0.035 0.000 0.995 1080 L CA -0.327 54.532 54.840 0.032 0.000 0.864 1080 L CB 0.690 42.756 42.059 0.012 0.000 1.216 1080 L HN 0.579 nan 8.230 nan 0.000 0.430 1081 N N 4.047 122.775 118.700 0.047 0.000 2.738 1081 N HA -0.207 4.533 4.740 0.001 0.000 0.249 1081 N C 0.981 176.516 175.510 0.041 0.000 1.047 1081 N CA 1.260 54.351 53.050 0.068 0.000 0.707 1081 N CB -1.297 37.228 38.487 0.064 0.000 0.937 1081 N HN 1.192 nan 8.380 nan 0.000 0.545 1082 G N -1.154 107.664 108.800 0.029 0.000 2.212 1082 G HA2 -0.355 3.606 3.960 0.001 0.000 0.266 1082 G HA3 -0.355 3.606 3.960 0.001 0.000 0.266 1082 G C -0.111 174.806 174.900 0.029 0.000 0.978 1082 G CA 0.780 45.892 45.100 0.019 0.000 0.632 1082 G HN 0.562 nan 8.290 nan 0.000 0.537 1083 Q N -0.412 119.412 119.800 0.039 0.000 2.293 1083 Q HA 0.648 4.988 4.340 0.001 0.000 0.261 1083 Q C -0.293 175.748 176.000 0.068 0.000 0.960 1083 Q CA -0.945 54.885 55.803 0.045 0.000 0.882 1083 Q CB 2.271 31.032 28.738 0.038 0.000 1.275 1083 Q HN 0.235 nan 8.270 nan 0.000 0.445 1084 L N 3.369 124.635 121.223 0.073 0.000 2.416 1084 L HA 0.184 4.524 4.340 0.001 0.000 0.272 1084 L C -0.503 176.447 176.870 0.134 0.000 1.161 1084 L CA 0.823 55.727 54.840 0.108 0.000 0.845 1084 L CB 0.207 42.316 42.059 0.083 0.000 1.119 1084 L HN 0.456 nan 8.230 nan 0.000 0.464 1085 R N 2.569 123.189 120.500 0.200 0.000 2.566 1085 R HA 0.583 4.924 4.340 0.001 0.000 0.271 1085 R C -1.328 175.143 176.300 0.285 0.000 1.071 1085 R CA -0.671 55.548 56.100 0.199 0.000 0.915 1085 R CB 1.921 32.314 30.300 0.154 0.000 1.228 1085 R HN 0.724 nan 8.270 nan 0.000 0.449 1086 S N 1.271 117.090 115.700 0.198 0.000 2.588 1086 S HA 0.829 5.300 4.470 0.001 0.000 0.275 1086 S C -0.437 174.180 174.600 0.029 0.000 1.130 1086 S CA -0.788 57.471 58.200 0.099 0.000 0.855 1086 S CB 1.766 64.941 63.200 -0.042 0.000 1.116 1086 S HN 0.434 nan 8.310 nan 0.000 0.472 1087 I N -1.227 119.321 120.570 -0.038 0.000 3.145 1087 I HA 0.680 4.851 4.170 0.001 0.000 0.313 1087 I C -1.364 174.665 176.117 -0.148 0.000 1.122 1087 I CA -1.335 59.921 61.300 -0.075 0.000 0.987 1087 I CB 1.237 39.214 38.000 -0.038 0.000 1.236 1087 I HN 0.669 nan 8.210 nan 0.000 0.453 1088 L N 3.487 124.611 121.223 -0.165 0.000 2.276 1088 L HA 0.735 5.075 4.340 0.001 0.000 0.286 1088 L C -0.261 176.520 176.870 -0.147 0.000 1.024 1088 L CA -0.788 53.968 54.840 -0.141 0.000 0.826 1088 L CB 1.520 43.516 42.059 -0.104 0.000 1.211 1088 L HN 0.637 nan 8.230 nan 0.000 0.422 1089 V N 3.305 123.180 119.914 -0.066 0.000 2.881 1089 V HA 0.535 4.656 4.120 0.001 0.000 0.316 1089 V C -0.429 175.704 176.094 0.065 0.000 1.070 1089 V CA -0.754 61.574 62.300 0.046 0.000 0.976 1089 V CB 2.181 34.090 31.823 0.143 0.000 1.038 1089 V HN 0.681 nan 8.190 nan 0.000 0.446 1090 K N 3.072 123.551 120.400 0.132 0.000 2.211 1090 K HA 0.398 4.718 4.320 0.001 0.000 0.275 1090 K C -0.977 175.684 176.600 0.103 0.000 1.024 1090 K CA -0.381 55.967 56.287 0.102 0.000 0.887 1090 K CB 0.976 33.541 32.500 0.109 0.000 1.084 1090 K HN 0.755 nan 8.250 nan 0.000 0.463 1091 D N 2.288 122.722 120.400 0.056 0.000 2.393 1091 D HA 0.061 4.702 4.640 0.001 0.000 0.232 1091 D C 0.430 176.754 176.300 0.040 0.000 1.192 1091 D CA 0.077 54.098 54.000 0.035 0.000 0.882 1091 D CB 0.962 41.770 40.800 0.012 0.000 1.038 1091 D HN 0.460 nan 8.370 nan 0.000 0.499 1092 T N 3.437 118.019 114.554 0.047 0.000 2.544 1092 T HA -0.304 4.047 4.350 0.001 0.000 0.264 1092 T C 1.757 176.476 174.700 0.032 0.000 1.096 1092 T CA 1.975 64.106 62.100 0.052 0.000 1.181 1092 T CB -0.213 68.687 68.868 0.055 0.000 0.864 1092 T HN 0.561 nan 8.240 nan 0.000 0.415 1093 Q N 1.617 121.426 119.800 0.015 0.000 2.028 1093 Q HA -0.206 4.134 4.340 0.001 0.000 0.213 1093 Q C 2.468 178.476 176.000 0.013 0.000 1.017 1093 Q CA 1.966 57.775 55.803 0.009 0.000 0.875 1093 Q CB -0.670 28.066 28.738 -0.003 0.000 0.962 1093 Q HN 0.576 nan 8.270 nan 0.000 0.413 1094 A N 0.042 122.869 122.820 0.011 0.000 2.168 1094 A HA 0.048 4.368 4.320 0.001 0.000 0.215 1094 A C 1.053 178.648 177.584 0.017 0.000 1.152 1094 A CA 0.307 52.351 52.037 0.011 0.000 0.716 1094 A CB -0.175 18.830 19.000 0.007 0.000 0.794 1094 A HN 0.332 nan 8.150 nan 0.000 0.465 1095 M N 0.710 120.324 119.600 0.024 0.000 2.261 1095 M HA 0.225 4.706 4.480 0.001 0.000 0.349 1095 M C -0.584 175.733 176.300 0.029 0.000 1.305 1095 M CA 0.301 55.618 55.300 0.029 0.000 1.240 1095 M CB 0.139 32.762 32.600 0.039 0.000 1.394 1095 M HN 0.085 nan 8.290 nan 0.000 0.438 1096 K N 2.069 122.483 120.400 0.023 0.000 3.481 1096 K HA 0.232 4.552 4.320 0.001 0.000 0.166 1096 K C -1.211 175.400 176.600 0.019 0.000 1.032 1096 K CA -0.165 56.136 56.287 0.022 0.000 0.776 1096 K CB 0.983 33.495 32.500 0.020 0.000 0.797 1096 K HN 0.411 nan 8.250 nan 0.000 0.516 1097 E N 0.000 120.211 120.200 0.019 0.000 2.725 1097 E HA 0.000 4.350 4.350 0.001 0.000 0.291 1097 E CA 0.000 56.410 56.400 0.016 0.000 0.976 1097 E CB 0.000 29.708 29.700 0.014 0.000 0.812 1097 E HN 0.000 nan 8.360 nan 0.000 0.440