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 3hm8_1_A DATA FIRST_RESID 479 DATA SEQUENCE SRRLLEETLA PFRLNHDQLA AVQAQMRKAM AKGLRGEASS LRMLPTFVRA DATA SEQUENCE TPDGSERGDF LALDLGGTNF RVLLVRVTTG VQITSEIYSI PETVAQGSGQ DATA SEQUENCE QLFDHIVDCI VDFQQKQGLS GQSLPLGFTF SFPCRQLGLD QGILLNWTKG DATA SEQUENCE FKASDCEGQD VVSLLREAIT RRQAVELNVV AIVNDTVGTM MSCGYEDPRC DATA SEQUENCE EIGLIVGTGT NACYMEELRN VAGVPGDSGR MCINMEWGAF GDDGSLAMLS DATA SEQUENCE TRFDASVDQA SINPGKQRFE KMISGMYLGE IVRHILLHLT SLGVLFRGQQ DATA SEQUENCE IQRLQTRDIF KTKFLSEIES DSLALRQVRA ILEDLGLPLT SDDALMVLEV DATA SEQUENCE CQAVSQRAAQ LCGAGVAAVV EKIRENRGLE ELAVSVGVDG TLYKLHPRFS DATA SEQUENCE SLVAATVREL APRCVVTFLQ SEDGSGKGAA LVTAVACRLA Q 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 479 S HA 0.000 nan 4.470 nan 0.000 0.327 479 S C 0.000 174.603 174.600 0.006 0.000 1.055 479 S CA 0.000 58.203 58.200 0.005 0.000 1.107 479 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 480 R N 1.726 122.228 120.500 0.002 0.000 2.235 480 R HA 0.049 4.381 4.340 -0.015 0.000 0.213 480 R C 2.373 178.681 176.300 0.014 0.000 1.059 480 R CA 1.904 58.005 56.100 0.003 0.000 0.997 480 R CB -0.941 29.357 30.300 -0.003 0.000 0.884 480 R HN 0.646 nan 8.270 nan 0.000 0.462 481 R N 0.284 120.795 120.500 0.018 0.000 2.070 481 R HA 0.115 4.446 4.340 -0.015 0.000 0.233 481 R C 2.530 178.854 176.300 0.040 0.000 1.137 481 R CA 1.975 58.091 56.100 0.026 0.000 0.945 481 R CB -1.175 29.140 30.300 0.024 0.000 0.845 481 R HN 0.637 nan 8.270 nan 0.000 0.430 482 L N 0.506 121.754 121.223 0.041 0.000 2.012 482 L HA -0.145 4.186 4.340 -0.015 0.000 0.210 482 L C 2.733 179.649 176.870 0.077 0.000 1.073 482 L CA 1.805 56.682 54.840 0.062 0.000 0.748 482 L CB -0.708 41.381 42.059 0.051 0.000 0.891 482 L HN 0.294 nan 8.230 nan 0.000 0.431 483 L N -0.157 121.097 121.223 0.052 0.000 2.013 483 L HA -0.238 4.093 4.340 -0.015 0.000 0.212 483 L C 2.574 179.477 176.870 0.054 0.000 1.073 483 L CA 1.888 56.756 54.840 0.046 0.000 0.753 483 L CB -0.571 41.496 42.059 0.013 0.000 0.890 483 L HN 0.210 nan 8.230 nan 0.000 0.432 484 E N -0.111 120.119 120.200 0.049 0.000 2.072 484 E HA -0.186 4.155 4.350 -0.015 0.000 0.190 484 E C 2.116 178.765 176.600 0.082 0.000 0.982 484 E CA 1.279 57.712 56.400 0.054 0.000 0.803 484 E CB -0.306 29.418 29.700 0.039 0.000 0.755 484 E HN 0.650 nan 8.360 nan 0.000 0.453 485 E N 0.370 120.622 120.200 0.085 0.000 2.070 485 E HA -0.172 4.169 4.350 -0.015 0.000 0.197 485 E C 2.065 178.755 176.600 0.149 0.000 1.004 485 E CA 1.808 58.270 56.400 0.102 0.000 0.805 485 E CB -0.152 29.605 29.700 0.095 0.000 0.744 485 E HN 0.168 nan 8.360 nan 0.000 0.451 486 T N 1.261 115.925 114.554 0.183 0.000 2.708 486 T HA -0.106 4.236 4.350 -0.015 0.000 0.266 486 T C 1.813 176.689 174.700 0.295 0.000 1.037 486 T CA 0.866 63.131 62.100 0.274 0.000 1.146 486 T CB -0.108 68.942 68.868 0.303 0.000 0.865 486 T HN 0.097 nan 8.240 nan 0.000 0.435 487 L N 0.695 122.031 121.223 0.189 0.000 2.552 487 L HA 0.151 4.482 4.340 -0.015 0.000 0.227 487 L C 2.853 179.890 176.870 0.277 0.000 1.146 487 L CA 0.142 55.100 54.840 0.198 0.000 0.858 487 L CB -0.649 41.435 42.059 0.042 0.000 0.969 487 L HN 0.222 nan 8.230 nan 0.000 0.451 488 A N 1.555 124.496 122.820 0.202 0.000 1.884 488 A HA -0.184 4.127 4.320 -0.015 0.000 0.219 488 A C -0.051 177.617 177.584 0.140 0.000 1.197 488 A CA 1.942 54.065 52.037 0.144 0.000 0.637 488 A CB -1.820 17.242 19.000 0.104 0.000 0.827 488 A HN 0.299 nan 8.150 nan 0.000 0.450 489 P HA -0.075 nan 4.420 nan 0.000 0.222 489 P C 0.682 177.925 177.300 -0.095 0.000 1.147 489 P CA 0.796 63.892 63.100 -0.007 0.000 0.790 489 P CB -0.171 31.481 31.700 -0.080 0.000 0.780 490 F N -0.713 119.265 119.950 0.047 0.000 2.811 490 F HA 0.092 4.611 4.527 -0.015 0.000 0.301 490 F C 1.203 177.011 175.800 0.013 0.000 1.151 490 F CA 0.239 58.257 58.000 0.030 0.000 1.412 490 F CB -0.060 38.957 39.000 0.028 0.000 1.113 490 F HN -0.324 nan 8.300 nan 0.000 0.579 491 R N 1.594 122.186 120.500 0.154 0.000 2.346 491 R HA 0.371 4.702 4.340 -0.015 0.000 0.309 491 R C -0.938 175.391 176.300 0.049 0.000 1.119 491 R CA -0.301 55.854 56.100 0.092 0.000 1.112 491 R CB 0.697 31.049 30.300 0.085 0.000 1.132 491 R HN 0.159 nan 8.270 nan 0.000 0.538 492 L N 3.964 125.206 121.223 0.031 0.000 2.290 492 L HA 0.163 4.494 4.340 -0.015 0.000 0.284 492 L C 0.873 177.755 176.870 0.020 0.000 1.078 492 L CA -0.666 54.180 54.840 0.011 0.000 0.815 492 L CB 0.471 42.525 42.059 -0.007 0.000 1.162 492 L HN 0.568 nan 8.230 nan 0.000 0.435 493 N N 1.629 120.344 118.700 0.025 0.000 2.347 493 N HA -0.095 4.637 4.740 -0.015 0.000 0.253 493 N C 0.900 176.447 175.510 0.060 0.000 1.274 493 N CA -0.053 53.026 53.050 0.050 0.000 0.941 493 N CB 0.441 38.959 38.487 0.052 0.000 1.200 493 N HN 0.610 nan 8.380 nan 0.000 0.514 494 H N -0.407 118.664 119.070 0.001 0.000 2.319 494 H HA -0.128 4.420 4.556 -0.014 0.000 0.297 494 H C 0.579 175.908 175.328 0.002 0.000 1.097 494 H CA 2.464 58.513 56.048 0.001 0.000 1.285 494 H CB -0.060 29.703 29.762 0.001 0.000 1.368 494 H HN 0.626 nan 8.280 nan 0.000 0.495 495 D N 0.026 120.456 120.400 0.050 0.000 2.117 495 D HA -0.150 4.481 4.640 -0.015 0.000 0.197 495 D C 2.290 178.554 176.300 -0.060 0.000 0.987 495 D CA 1.261 55.256 54.000 -0.008 0.000 0.829 495 D CB -0.338 40.490 40.800 0.048 0.000 0.961 495 D HN 0.576 nan 8.370 nan 0.000 0.460 496 Q N -0.053 119.725 119.800 -0.037 0.000 2.030 496 Q HA -0.097 4.234 4.340 -0.015 0.000 0.204 496 Q C 2.490 178.456 176.000 -0.057 0.000 0.986 496 Q CA 0.867 56.648 55.803 -0.037 0.000 0.843 496 Q CB -0.192 28.532 28.738 -0.022 0.000 0.904 496 Q HN 0.292 nan 8.270 nan 0.000 0.420 497 L N 0.080 121.253 121.223 -0.083 0.000 2.042 497 L HA -0.222 4.109 4.340 -0.015 0.000 0.210 497 L C 2.491 179.286 176.870 -0.125 0.000 1.076 497 L CA 0.975 55.761 54.840 -0.091 0.000 0.749 497 L CB -0.589 41.410 42.059 -0.099 0.000 0.893 497 L HN 0.255 nan 8.230 nan 0.000 0.432 498 A N -0.051 122.639 122.820 -0.215 0.000 1.908 498 A HA -0.203 4.108 4.320 -0.015 0.000 0.218 498 A C 2.529 180.058 177.584 -0.092 0.000 1.181 498 A CA 1.781 53.704 52.037 -0.191 0.000 0.627 498 A CB -0.724 18.125 19.000 -0.252 0.000 0.818 498 A HN 0.416 nan 8.150 nan 0.000 0.445 499 A N -0.611 122.169 122.820 -0.067 0.000 1.933 499 A HA 0.005 4.316 4.320 -0.015 0.000 0.218 499 A C 2.231 179.812 177.584 -0.005 0.000 1.175 499 A CA 1.774 53.794 52.037 -0.030 0.000 0.628 499 A CB -0.882 18.104 19.000 -0.023 0.000 0.814 499 A HN 0.382 nan 8.150 nan 0.000 0.444 500 V N -0.001 119.914 119.914 0.002 0.000 2.295 500 V HA -0.331 3.780 4.120 -0.015 0.000 0.246 500 V C 2.734 178.838 176.094 0.016 0.000 1.049 500 V CA 2.345 64.678 62.300 0.056 0.000 1.024 500 V CB -0.845 31.025 31.823 0.078 0.000 0.648 500 V HN 0.786 nan 8.190 nan 0.000 0.447 501 Q N -0.044 119.733 119.800 -0.038 0.000 2.077 501 Q HA -0.268 4.064 4.340 -0.015 0.000 0.206 501 Q C 2.275 178.234 176.000 -0.068 0.000 0.989 501 Q CA 2.315 58.074 55.803 -0.074 0.000 0.853 501 Q CB -0.339 28.359 28.738 -0.067 0.000 0.907 501 Q HN 0.623 nan 8.270 nan 0.000 0.418 502 A N 0.733 123.529 122.820 -0.041 0.000 1.892 502 A HA -0.296 4.015 4.320 -0.015 0.000 0.218 502 A C 1.971 179.547 177.584 -0.013 0.000 1.188 502 A CA 1.936 53.957 52.037 -0.028 0.000 0.631 502 A CB -0.820 18.169 19.000 -0.018 0.000 0.822 502 A HN 0.647 nan 8.150 nan 0.000 0.447 503 Q N -1.427 118.388 119.800 0.024 0.000 2.245 503 Q HA -0.032 4.299 4.340 -0.015 0.000 0.201 503 Q C 2.021 178.070 176.000 0.081 0.000 0.955 503 Q CA 1.250 57.105 55.803 0.086 0.000 0.870 503 Q CB -0.132 28.690 28.738 0.140 0.000 0.945 503 Q HN 0.740 nan 8.270 nan 0.000 0.461 504 M N -0.346 119.192 119.600 -0.103 0.000 2.156 504 M HA -0.127 4.344 4.480 -0.015 0.000 0.264 504 M C 2.040 178.193 176.300 -0.245 0.000 1.067 504 M CA 1.312 56.314 55.300 -0.496 0.000 1.131 504 M CB 0.075 32.215 32.600 -0.767 0.000 1.368 504 M HN 0.015 nan 8.290 nan 0.000 0.416 505 R N 0.792 121.202 120.500 -0.149 0.000 2.105 505 R HA -0.170 4.161 4.340 -0.015 0.000 0.239 505 R C 2.093 178.359 176.300 -0.057 0.000 1.135 505 R CA 1.911 57.953 56.100 -0.098 0.000 0.967 505 R CB -0.405 29.852 30.300 -0.073 0.000 0.861 505 R HN 0.431 nan 8.270 nan 0.000 0.442 506 K N -0.828 119.553 120.400 -0.033 0.000 2.025 506 K HA -0.042 4.270 4.320 -0.015 0.000 0.207 506 K C 1.880 178.484 176.600 0.007 0.000 1.049 506 K CA 1.287 57.572 56.287 -0.003 0.000 0.933 506 K CB -0.211 32.298 32.500 0.015 0.000 0.714 506 K HN 0.210 nan 8.250 nan 0.000 0.438 507 A N 1.220 124.048 122.820 0.014 0.000 1.940 507 A HA -0.195 4.117 4.320 -0.015 0.000 0.219 507 A C 2.115 179.704 177.584 0.008 0.000 1.176 507 A CA 1.822 53.880 52.037 0.035 0.000 0.631 507 A CB -0.493 18.552 19.000 0.075 0.000 0.814 507 A HN 0.363 nan 8.150 nan 0.000 0.446 508 M N -0.657 118.928 119.600 -0.025 0.000 2.077 508 M HA -0.114 4.357 4.480 -0.015 0.000 0.261 508 M C 2.602 178.917 176.300 0.025 0.000 1.070 508 M CA 1.440 56.746 55.300 0.010 0.000 1.125 508 M CB -0.496 32.102 32.600 -0.003 0.000 1.339 508 M HN 0.457 nan 8.290 nan 0.000 0.409 509 A N 0.843 123.669 122.820 0.010 0.000 1.859 509 A HA -0.226 4.085 4.320 -0.015 0.000 0.217 509 A C 2.151 179.744 177.584 0.016 0.000 1.198 509 A CA 2.046 54.091 52.037 0.013 0.000 0.629 509 A CB -0.716 18.287 19.000 0.004 0.000 0.830 509 A HN 0.428 nan 8.150 nan 0.000 0.446 510 K N -1.108 119.302 120.400 0.017 0.000 2.009 510 K HA -0.134 4.177 4.320 -0.015 0.000 0.210 510 K C 2.214 178.827 176.600 0.022 0.000 1.049 510 K CA 1.213 57.512 56.287 0.020 0.000 0.929 510 K CB -0.662 31.853 32.500 0.024 0.000 0.714 510 K HN 0.492 nan 8.250 nan 0.000 0.440 511 G N 1.822 110.639 108.800 0.028 0.000 2.513 511 G HA2 -0.266 3.685 3.960 -0.015 0.000 0.219 511 G HA3 -0.266 3.685 3.960 -0.015 0.000 0.219 511 G C 1.535 176.446 174.900 0.019 0.000 1.160 511 G CA 0.913 46.030 45.100 0.029 0.000 0.767 511 G HN 0.127 nan 8.290 nan 0.000 0.571 512 L N -0.198 121.036 121.223 0.018 0.000 2.093 512 L HA -0.019 4.313 4.340 -0.015 0.000 0.208 512 L C 3.002 179.873 176.870 0.002 0.000 1.085 512 L CA 0.975 55.819 54.840 0.007 0.000 0.755 512 L CB -0.239 41.828 42.059 0.014 0.000 0.904 512 L HN 0.178 nan 8.230 nan 0.000 0.435 513 R N -0.021 120.483 120.500 0.007 0.000 2.307 513 R HA 0.091 4.422 4.340 -0.015 0.000 0.199 513 R C 1.353 177.656 176.300 0.006 0.000 1.000 513 R CA 0.652 56.755 56.100 0.005 0.000 1.023 513 R CB -0.020 30.283 30.300 0.006 0.000 0.908 513 R HN 0.470 nan 8.270 nan 0.000 0.473 514 G N 1.272 110.077 108.800 0.009 0.000 2.157 514 G HA2 -0.272 3.680 3.960 -0.015 0.000 0.239 514 G HA3 -0.272 3.680 3.960 -0.015 0.000 0.239 514 G C -0.047 174.860 174.900 0.013 0.000 0.982 514 G CA -0.086 45.020 45.100 0.010 0.000 0.650 514 G HN 0.383 nan 8.290 nan 0.000 0.527 515 E N 0.070 120.279 120.200 0.014 0.000 2.376 515 E HA 0.546 4.887 4.350 -0.015 0.000 0.254 515 E C 0.864 177.476 176.600 0.020 0.000 1.213 515 E CA -0.134 56.275 56.400 0.015 0.000 0.945 515 E CB 0.561 30.270 29.700 0.014 0.000 1.057 515 E HN 0.662 nan 8.360 nan 0.000 0.479 516 A N 1.432 124.264 122.820 0.020 0.000 2.438 516 A HA 0.214 4.526 4.320 -0.015 0.000 0.280 516 A C -0.049 177.554 177.584 0.033 0.000 1.160 516 A CA 0.271 52.323 52.037 0.024 0.000 0.821 516 A CB 0.114 19.126 19.000 0.020 0.000 1.101 516 A HN 0.307 nan 8.150 nan 0.000 0.515 517 S N 1.155 116.881 115.700 0.043 0.000 2.599 517 S HA 0.540 5.001 4.470 -0.015 0.000 0.287 517 S C 1.057 175.703 174.600 0.077 0.000 1.105 517 S CA 0.075 58.312 58.200 0.062 0.000 0.899 517 S CB 1.464 64.701 63.200 0.061 0.000 1.100 517 S HN 1.178 nan 8.310 nan 0.000 0.482 518 S N 2.053 117.822 115.700 0.114 0.000 2.558 518 S HA 0.318 4.779 4.470 -0.015 0.000 0.217 518 S C 0.326 175.025 174.600 0.164 0.000 0.975 518 S CA -0.186 58.092 58.200 0.130 0.000 0.912 518 S CB -0.547 62.729 63.200 0.127 0.000 0.776 518 S HN 0.573 nan 8.310 nan 0.000 0.526 519 L N 1.580 122.893 121.223 0.149 0.000 2.265 519 L HA 0.560 4.891 4.340 -0.015 0.000 0.288 519 L C 1.889 178.810 176.870 0.086 0.000 1.058 519 L CA -0.536 54.378 54.840 0.123 0.000 0.809 519 L CB 0.975 43.083 42.059 0.081 0.000 1.179 519 L HN 0.249 nan 8.230 nan 0.000 0.429 520 R N 3.549 124.097 120.500 0.081 0.000 2.115 520 R HA -0.022 4.309 4.340 -0.015 0.000 0.230 520 R C 1.095 177.416 176.300 0.036 0.000 1.111 520 R CA 0.896 57.029 56.100 0.055 0.000 0.976 520 R CB -0.591 29.741 30.300 0.053 0.000 0.870 520 R HN 0.786 nan 8.270 nan 0.000 0.445 521 M N -0.519 119.100 119.600 0.032 0.000 2.350 521 M HA -0.126 4.345 4.480 -0.015 0.000 0.190 521 M C -0.963 175.323 176.300 -0.023 0.000 0.710 521 M CA 0.302 55.605 55.300 0.004 0.000 0.495 521 M CB -2.336 30.273 32.600 0.015 0.000 1.136 521 M HN 0.327 nan 8.290 nan 0.000 0.901 522 L N 1.978 123.188 121.223 -0.021 0.000 2.313 522 L HA 0.322 4.653 4.340 -0.015 0.000 0.282 522 L C -1.598 175.249 176.870 -0.040 0.000 1.092 522 L CA -1.717 53.116 54.840 -0.012 0.000 0.831 522 L CB 0.434 42.497 42.059 0.007 0.000 1.159 522 L HN 0.084 nan 8.230 nan 0.000 0.442 523 P HA 0.026 nan 4.420 nan 0.000 0.268 523 P C 0.565 177.887 177.300 0.036 0.000 1.204 523 P CA -0.101 62.949 63.100 -0.084 0.000 0.768 523 P CB 0.801 32.422 31.700 -0.132 0.000 0.842 524 T N -0.882 113.663 114.554 -0.016 0.000 3.023 524 T HA 0.159 4.501 4.350 -0.015 0.000 0.253 524 T C 0.594 175.419 174.700 0.209 0.000 1.038 524 T CA -0.146 62.002 62.100 0.081 0.000 0.962 524 T CB -0.850 68.014 68.868 -0.006 0.000 1.018 524 T HN 0.179 nan 8.240 nan 0.000 0.521 525 F N 0.521 120.439 119.950 -0.054 0.000 3.093 525 F HA -0.157 4.362 4.527 -0.013 0.000 0.287 525 F C -0.086 175.690 175.800 -0.040 0.000 0.882 525 F CA 0.017 57.992 58.000 -0.043 0.000 1.063 525 F CB -2.119 36.861 39.000 -0.033 0.000 1.097 525 F HN 0.124 nan 8.300 nan 0.000 0.604 526 V N 1.202 121.130 119.914 0.024 0.000 2.311 526 V HA 0.254 4.365 4.120 -0.015 0.000 0.275 526 V C 1.173 177.239 176.094 -0.047 0.000 1.022 526 V CA -0.376 61.923 62.300 -0.001 0.000 0.830 526 V CB 1.448 33.260 31.823 -0.017 0.000 1.012 526 V HN 0.231 nan 8.190 nan 0.000 0.452 527 R N 2.966 123.447 120.500 -0.031 0.000 2.334 527 R HA 0.587 4.919 4.340 -0.015 0.000 0.216 527 R C 0.371 176.649 176.300 -0.038 0.000 0.905 527 R CA 0.345 56.413 56.100 -0.052 0.000 1.064 527 R CB 0.758 31.035 30.300 -0.038 0.000 1.046 527 R HN 0.659 nan 8.270 nan 0.000 0.508 528 A N 0.630 123.434 122.820 -0.026 0.000 2.577 528 A HA 0.341 4.652 4.320 -0.015 0.000 0.297 528 A C -0.182 177.393 177.584 -0.014 0.000 1.060 528 A CA -0.836 51.190 52.037 -0.019 0.000 0.697 528 A CB 0.985 19.980 19.000 -0.009 0.000 1.281 528 A HN 0.139 nan 8.150 nan 0.000 0.402 529 T N -0.004 114.543 114.554 -0.012 0.000 2.813 529 T HA 0.534 4.875 4.350 -0.015 0.000 0.297 529 T C -2.405 172.299 174.700 0.007 0.000 1.036 529 T CA -1.194 60.903 62.100 -0.004 0.000 1.044 529 T CB -0.214 68.651 68.868 -0.007 0.000 0.993 529 T HN 0.356 nan 8.240 nan 0.000 0.535 530 P HA 0.175 nan 4.420 nan 0.000 0.251 530 P C -0.138 177.175 177.300 0.023 0.000 1.154 530 P CA 0.860 63.986 63.100 0.044 0.000 0.805 530 P CB -0.695 31.063 31.700 0.096 0.000 0.759 531 D N 3.904 124.318 120.400 0.023 0.000 2.453 531 D HA 0.440 5.071 4.640 -0.015 0.000 0.223 531 D C 1.334 177.645 176.300 0.018 0.000 1.183 531 D CA 0.126 54.134 54.000 0.013 0.000 0.933 531 D CB -0.204 40.604 40.800 0.014 0.000 1.038 531 D HN 0.580 nan 8.370 nan 0.000 0.513 532 G N 1.270 110.071 108.800 0.002 0.000 2.622 532 G HA2 -0.209 3.742 3.960 -0.015 0.000 0.307 532 G HA3 -0.209 3.742 3.960 -0.015 0.000 0.307 532 G C 0.989 175.906 174.900 0.027 0.000 1.226 532 G CA 0.462 45.561 45.100 -0.001 0.000 0.997 532 G HN 1.424 nan 8.290 nan 0.000 0.551 533 S N 1.277 117.001 115.700 0.039 0.000 2.513 533 S HA 0.552 5.014 4.470 -0.015 0.000 0.276 533 S C -0.288 174.362 174.600 0.083 0.000 1.254 533 S CA 0.285 58.527 58.200 0.069 0.000 1.053 533 S CB 0.616 63.850 63.200 0.056 0.000 0.958 533 S HN 0.481 nan 8.310 nan 0.000 0.491 534 E N 2.399 122.669 120.200 0.116 0.000 2.642 534 E HA 0.342 4.683 4.350 -0.015 0.000 0.284 534 E C 0.059 176.759 176.600 0.167 0.000 1.039 534 E CA -0.468 56.006 56.400 0.123 0.000 0.777 534 E CB 1.144 30.907 29.700 0.105 0.000 1.473 534 E HN 0.646 nan 8.360 nan 0.000 0.388 535 R N 1.105 121.699 120.500 0.157 0.000 2.580 535 R HA 0.901 5.232 4.340 -0.015 0.000 0.267 535 R C 0.576 177.012 176.300 0.226 0.000 1.125 535 R CA 0.193 56.391 56.100 0.162 0.000 1.188 535 R CB 0.515 30.870 30.300 0.090 0.000 1.155 535 R HN 0.743 nan 8.270 nan 0.000 0.586 536 G N 0.257 109.121 108.800 0.107 0.000 2.316 536 G HA2 0.306 4.258 3.960 -0.015 0.000 0.468 536 G HA3 0.306 4.258 3.960 -0.015 0.000 0.468 536 G C -2.108 172.526 174.900 -0.444 0.000 1.523 536 G CA -0.432 44.511 45.100 -0.263 0.000 0.972 536 G HN 0.704 nan 8.290 nan 0.000 0.667 537 D N 0.353 120.348 120.400 -0.676 0.000 2.303 537 D HA 0.680 5.311 4.640 -0.015 0.000 0.236 537 D C -0.537 175.405 176.300 -0.596 0.000 1.068 537 D CA 0.234 53.998 54.000 -0.393 0.000 0.830 537 D CB 1.115 41.801 40.800 -0.190 0.000 1.109 537 D HN 0.243 nan 8.370 nan 0.000 0.496 538 F N 0.347 120.311 119.950 0.022 0.000 2.551 538 F HA 0.385 4.903 4.527 -0.015 0.000 0.316 538 F C 0.291 176.111 175.800 0.032 0.000 1.089 538 F CA -1.183 56.832 58.000 0.025 0.000 0.915 538 F CB 1.498 40.509 39.000 0.018 0.000 1.186 538 F HN 0.029 nan 8.300 nan 0.000 0.456 539 L N 2.274 123.618 121.223 0.202 0.000 2.421 539 L HA 0.907 5.239 4.340 -0.015 0.000 0.263 539 L C -0.184 176.743 176.870 0.096 0.000 1.122 539 L CA -0.337 54.581 54.840 0.131 0.000 0.804 539 L CB 0.977 43.094 42.059 0.097 0.000 1.150 539 L HN 0.964 nan 8.230 nan 0.000 0.457 540 A N 3.677 126.498 122.820 0.002 0.000 2.465 540 A HA 0.708 5.020 4.320 -0.015 0.000 0.292 540 A C -1.239 176.282 177.584 -0.106 0.000 1.041 540 A CA -0.538 51.486 52.037 -0.022 0.000 0.718 540 A CB 1.128 20.125 19.000 -0.005 0.000 1.266 540 A HN 0.834 nan 8.150 nan 0.000 0.403 541 L N 1.459 122.631 121.223 -0.084 0.000 2.334 541 L HA 0.609 4.940 4.340 -0.015 0.000 0.275 541 L C -0.628 176.319 176.870 0.128 0.000 1.036 541 L CA -0.616 54.169 54.840 -0.092 0.000 0.807 541 L CB 1.738 43.531 42.059 -0.444 0.000 1.231 541 L HN 0.730 nan 8.230 nan 0.000 0.438 542 D N 2.995 123.501 120.400 0.176 0.000 2.336 542 D HA 0.375 5.007 4.640 -0.015 0.000 0.248 542 D C -1.668 174.885 176.300 0.421 0.000 1.326 542 D CA -0.286 53.857 54.000 0.239 0.000 0.973 542 D CB 1.372 42.214 40.800 0.070 0.000 1.255 542 D HN 0.141 nan 8.370 nan 0.000 0.558 543 L N 2.466 124.002 121.223 0.522 0.000 2.365 543 L HA 0.835 5.166 4.340 -0.015 0.000 0.273 543 L C 1.005 177.987 176.870 0.187 0.000 1.000 543 L CA 0.460 55.604 54.840 0.506 0.000 0.819 543 L CB 1.935 44.373 42.059 0.631 0.000 1.284 543 L HN 0.540 nan 8.230 nan 0.000 0.418 544 G N 2.298 111.170 108.800 0.119 0.000 2.255 544 G HA2 -0.103 3.848 3.960 -0.015 0.000 0.196 544 G HA3 -0.103 3.848 3.960 -0.015 0.000 0.196 544 G C 0.344 175.197 174.900 -0.078 0.000 0.998 544 G CA -0.131 44.843 45.100 -0.211 0.000 0.656 544 G HN 1.144 nan 8.290 nan 0.000 0.490 545 G N -0.352 108.474 108.800 0.042 0.000 2.537 545 G HA2 0.546 4.497 3.960 -0.015 0.000 0.297 545 G HA3 0.546 4.497 3.960 -0.015 0.000 0.297 545 G C 1.402 176.377 174.900 0.124 0.000 1.310 545 G CA 1.084 46.215 45.100 0.051 0.000 1.027 545 G HN 1.037 nan 8.290 nan 0.000 0.505 546 T N -1.788 112.816 114.554 0.083 0.000 2.803 546 T HA -0.082 4.259 4.350 -0.015 0.000 0.269 546 T C 0.751 175.516 174.700 0.109 0.000 1.052 546 T CA 0.916 63.065 62.100 0.083 0.000 1.136 546 T CB -0.177 68.720 68.868 0.048 0.000 0.864 546 T HN 0.259 nan 8.240 nan 0.000 0.467 547 N N 0.922 119.691 118.700 0.116 0.000 2.342 547 N HA 0.454 5.186 4.740 -0.015 0.000 0.293 547 N C -1.739 173.901 175.510 0.218 0.000 1.026 547 N CA -0.710 52.420 53.050 0.133 0.000 0.857 547 N CB 1.672 40.194 38.487 0.059 0.000 1.256 547 N HN 0.278 nan 8.380 nan 0.000 0.484 548 F N 2.095 122.118 119.950 0.123 0.000 2.404 548 F HA 0.665 5.184 4.527 -0.013 0.000 0.345 548 F C 0.229 176.104 175.800 0.124 0.000 1.110 548 F CA -0.620 57.470 58.000 0.150 0.000 1.130 548 F CB 0.446 39.568 39.000 0.204 0.000 1.129 548 F HN 0.494 nan 8.300 nan 0.000 0.500 549 R N 4.268 124.368 120.500 -0.666 0.000 2.604 549 R HA 0.777 5.108 4.340 -0.015 0.000 0.281 549 R C -2.156 173.708 176.300 -0.727 0.000 1.020 549 R CA -0.510 55.224 56.100 -0.610 0.000 0.899 549 R CB 0.912 31.042 30.300 -0.283 0.000 1.205 549 R HN 0.682 nan 8.270 nan 0.000 0.450 550 V N 2.851 122.361 119.914 -0.673 0.000 2.532 550 V HA 0.785 4.896 4.120 -0.015 0.000 0.295 550 V C -0.288 175.208 176.094 -0.996 0.000 1.041 550 V CA -0.759 61.079 62.300 -0.770 0.000 0.926 550 V CB 1.404 32.752 31.823 -0.792 0.000 0.992 550 V HN 0.765 nan 8.190 nan 0.000 0.457 551 L N 4.555 125.338 121.223 -0.734 0.000 2.455 551 L HA 0.563 4.894 4.340 -0.015 0.000 0.264 551 L C -1.155 175.679 176.870 -0.060 0.000 0.968 551 L CA -0.532 54.091 54.840 -0.361 0.000 0.827 551 L CB 2.126 44.086 42.059 -0.166 0.000 1.317 551 L HN 0.449 nan 8.230 nan 0.000 0.407 552 L N 3.714 125.068 121.223 0.217 0.000 2.296 552 L HA 0.731 5.063 4.340 -0.015 0.000 0.286 552 L C -0.944 176.014 176.870 0.146 0.000 1.023 552 L CA -0.281 54.705 54.840 0.243 0.000 0.812 552 L CB 1.727 43.963 42.059 0.295 0.000 1.223 552 L HN 0.313 nan 8.230 nan 0.000 0.421 553 V N 5.970 125.971 119.914 0.145 0.000 2.409 553 V HA 0.527 4.639 4.120 -0.015 0.000 0.290 553 V C 0.019 176.215 176.094 0.171 0.000 1.017 553 V CA -0.668 61.710 62.300 0.130 0.000 0.841 553 V CB 1.281 33.173 31.823 0.114 0.000 1.003 553 V HN 0.636 nan 8.190 nan 0.000 0.426 554 R N 3.326 123.887 120.500 0.102 0.000 2.215 554 R HA 0.584 4.916 4.340 -0.015 0.000 0.337 554 R C -1.090 175.261 176.300 0.085 0.000 1.010 554 R CA -0.410 55.740 56.100 0.082 0.000 0.871 554 R CB 1.795 32.120 30.300 0.041 0.000 1.134 554 R HN 0.546 nan 8.270 nan 0.000 0.477 555 V N 3.969 123.968 119.914 0.143 0.000 2.350 555 V HA 0.289 4.400 4.120 -0.015 0.000 0.276 555 V C 0.811 176.975 176.094 0.117 0.000 1.028 555 V CA -0.264 62.113 62.300 0.128 0.000 0.860 555 V CB 1.139 33.080 31.823 0.197 0.000 0.990 555 V HN 0.954 nan 8.190 nan 0.000 0.453 556 T N 0.953 115.565 114.554 0.097 0.000 2.352 556 T HA 0.392 4.734 4.350 -0.015 0.000 0.186 556 T C 1.650 176.415 174.700 0.108 0.000 0.706 556 T CA 0.541 62.693 62.100 0.087 0.000 1.355 556 T CB 0.254 69.157 68.868 0.059 0.000 2.156 556 T HN 0.496 nan 8.240 nan 0.000 0.441 557 T N 0.508 115.115 114.554 0.089 0.000 2.708 557 T HA 0.438 4.779 4.350 -0.015 0.000 0.266 557 T C 1.173 175.961 174.700 0.146 0.000 1.037 557 T CA 1.510 63.667 62.100 0.096 0.000 1.146 557 T CB -1.174 67.733 68.868 0.065 0.000 0.865 557 T HN 0.924 nan 8.240 nan 0.000 0.435 558 G N -0.850 108.027 108.800 0.129 0.000 2.887 558 G HA2 0.563 4.515 3.960 -0.015 0.000 0.277 558 G HA3 0.563 4.515 3.960 -0.015 0.000 0.277 558 G C -1.358 173.598 174.900 0.093 0.000 1.346 558 G CA -0.252 44.941 45.100 0.154 0.000 1.058 558 G HN 0.290 nan 8.290 nan 0.000 0.535 559 V N 0.097 120.026 119.914 0.025 0.000 2.487 559 V HA 0.513 4.624 4.120 -0.015 0.000 0.298 559 V C -0.425 175.655 176.094 -0.024 0.000 1.028 559 V CA -0.551 61.707 62.300 -0.070 0.000 0.860 559 V CB 1.472 33.124 31.823 -0.285 0.000 0.991 559 V HN 0.751 nan 8.190 nan 0.000 0.427 560 Q N 4.342 124.141 119.800 -0.002 0.000 2.310 560 Q HA 0.677 5.008 4.340 -0.015 0.000 0.270 560 Q C -1.679 174.334 176.000 0.022 0.000 1.025 560 Q CA -0.491 55.320 55.803 0.013 0.000 0.772 560 Q CB 2.002 30.754 28.738 0.023 0.000 1.253 560 Q HN 0.748 nan 8.270 nan 0.000 0.450 561 I N 2.913 123.496 120.570 0.021 0.000 2.436 561 I HA 0.408 4.569 4.170 -0.015 0.000 0.289 561 I C -0.503 175.646 176.117 0.054 0.000 1.010 561 I CA -0.535 60.786 61.300 0.035 0.000 1.098 561 I CB 2.349 40.355 38.000 0.011 0.000 1.266 561 I HN 0.546 nan 8.210 nan 0.000 0.434 562 T N 3.756 118.370 114.554 0.100 0.000 2.912 562 T HA 0.726 5.067 4.350 -0.015 0.000 0.288 562 T C -0.334 174.497 174.700 0.219 0.000 1.030 562 T CA -0.717 61.467 62.100 0.140 0.000 1.020 562 T CB 1.872 70.825 68.868 0.142 0.000 1.056 562 T HN 0.754 nan 8.240 nan 0.000 0.480 563 S N 0.755 116.580 115.700 0.209 0.000 2.643 563 S HA 0.743 5.204 4.470 -0.015 0.000 0.270 563 S C -1.851 172.832 174.600 0.137 0.000 1.166 563 S CA -0.961 57.306 58.200 0.111 0.000 0.815 563 S CB 2.385 65.558 63.200 -0.045 0.000 1.139 563 S HN 0.856 nan 8.310 nan 0.000 0.472 564 E N 0.321 120.478 120.200 -0.071 0.000 2.347 564 E HA 0.492 4.834 4.350 -0.015 0.000 0.285 564 E C -1.553 174.777 176.600 -0.451 0.000 0.925 564 E CA -0.697 55.589 56.400 -0.190 0.000 0.779 564 E CB 1.432 31.094 29.700 -0.063 0.000 1.233 564 E HN 0.718 nan 8.360 nan 0.000 0.414 565 I N 3.848 124.175 120.570 -0.406 0.000 2.532 565 I HA 0.308 4.469 4.170 -0.015 0.000 0.292 565 I C -0.723 175.102 176.117 -0.488 0.000 1.014 565 I CA -0.367 60.733 61.300 -0.333 0.000 1.340 565 I CB 0.570 38.486 38.000 -0.141 0.000 1.422 565 I HN 0.501 nan 8.210 nan 0.000 0.528 566 Y N 2.585 122.892 120.300 0.011 0.000 2.545 566 Y HA 0.530 5.071 4.550 -0.014 0.000 0.348 566 Y C 0.566 176.630 175.900 0.273 0.000 1.002 566 Y CA -0.828 57.367 58.100 0.160 0.000 1.039 566 Y CB 1.539 40.131 38.460 0.220 0.000 1.271 566 Y HN 0.596 nan 8.280 nan 0.000 0.467 567 S N 2.217 118.167 115.700 0.417 0.000 2.537 567 S HA 0.711 5.172 4.470 -0.015 0.000 0.275 567 S C -0.439 174.328 174.600 0.279 0.000 1.272 567 S CA -0.408 57.959 58.200 0.279 0.000 1.050 567 S CB -0.068 63.235 63.200 0.171 0.000 0.961 567 S HN 0.579 nan 8.310 nan 0.000 0.496 568 I N 4.560 125.209 120.570 0.131 0.000 2.563 568 I HA 0.240 4.402 4.170 -0.015 0.000 0.276 568 I C -2.386 173.653 176.117 -0.129 0.000 1.074 568 I CA -1.586 59.691 61.300 -0.040 0.000 1.124 568 I CB 1.595 39.584 38.000 -0.018 0.000 1.225 568 I HN 0.406 nan 8.210 nan 0.000 0.482 569 P HA 0.168 nan 4.420 nan 0.000 0.270 569 P C 1.144 178.310 177.300 -0.224 0.000 1.223 569 P CA 0.019 63.026 63.100 -0.156 0.000 0.785 569 P CB 0.714 32.333 31.700 -0.135 0.000 0.923 570 E N 0.489 120.566 120.200 -0.205 0.000 2.187 570 E HA -0.243 4.098 4.350 -0.015 0.000 0.199 570 E C 1.717 178.177 176.600 -0.234 0.000 1.004 570 E CA 2.489 58.744 56.400 -0.241 0.000 0.813 570 E CB -1.923 27.674 29.700 -0.171 0.000 0.736 570 E HN 0.622 nan 8.360 nan 0.000 0.468 571 T N 0.279 114.724 114.554 -0.182 0.000 2.635 571 T HA -0.169 4.172 4.350 -0.015 0.000 0.267 571 T C 2.168 176.753 174.700 -0.192 0.000 1.040 571 T CA 2.011 64.016 62.100 -0.159 0.000 1.156 571 T CB -0.424 68.367 68.868 -0.129 0.000 0.863 571 T HN 0.347 nan 8.240 nan 0.000 0.430 572 V N 1.472 121.246 119.914 -0.234 0.000 2.453 572 V HA -0.035 4.077 4.120 -0.015 0.000 0.247 572 V C 2.871 178.778 176.094 -0.312 0.000 1.048 572 V CA 1.375 63.521 62.300 -0.257 0.000 1.049 572 V CB -1.190 30.437 31.823 -0.326 0.000 0.672 572 V HN 0.526 nan 8.190 nan 0.000 0.457 573 A N -0.480 122.077 122.820 -0.438 0.000 1.972 573 A HA -0.219 4.092 4.320 -0.015 0.000 0.219 573 A C 2.021 179.238 177.584 -0.611 0.000 1.169 573 A CA 1.637 53.233 52.037 -0.735 0.000 0.635 573 A CB -0.290 18.036 19.000 -1.124 0.000 0.810 573 A HN 0.658 nan 8.150 nan 0.000 0.446 574 Q N -0.877 118.681 119.800 -0.405 0.000 2.179 574 Q HA 0.250 4.581 4.340 -0.015 0.000 0.213 574 Q C 1.199 177.087 176.000 -0.187 0.000 0.833 574 Q CA 0.054 55.681 55.803 -0.292 0.000 0.990 574 Q CB 0.768 29.375 28.738 -0.218 0.000 1.132 574 Q HN 0.576 nan 8.270 nan 0.000 0.493 575 G N 1.370 110.064 108.800 -0.177 0.000 3.022 575 G HA2 0.117 4.068 3.960 -0.015 0.000 0.157 575 G HA3 0.117 4.068 3.960 -0.015 0.000 0.157 575 G C 0.038 174.907 174.900 -0.052 0.000 1.691 575 G CA -0.063 44.976 45.100 -0.102 0.000 1.079 575 G HN 0.276 nan 8.290 nan 0.000 0.549 576 S N -0.801 114.889 115.700 -0.017 0.000 2.541 576 S HA 0.510 4.971 4.470 -0.015 0.000 0.283 576 S C 1.389 176.044 174.600 0.092 0.000 1.196 576 S CA 0.251 58.474 58.200 0.039 0.000 1.062 576 S CB 1.463 64.686 63.200 0.038 0.000 1.009 576 S HN 0.893 nan 8.310 nan 0.000 0.502 577 G N 1.502 110.402 108.800 0.167 0.000 2.469 577 G HA2 -0.202 3.750 3.960 -0.015 0.000 0.219 577 G HA3 -0.202 3.750 3.960 -0.015 0.000 0.219 577 G C 1.599 176.685 174.900 0.311 0.000 1.150 577 G CA 1.366 46.650 45.100 0.306 0.000 0.763 577 G HN 1.097 nan 8.290 nan 0.000 0.561 578 Q N 0.081 119.989 119.800 0.179 0.000 2.045 578 Q HA -0.221 4.110 4.340 -0.015 0.000 0.206 578 Q C 2.485 178.576 176.000 0.153 0.000 0.991 578 Q CA 2.198 58.089 55.803 0.146 0.000 0.851 578 Q CB -0.892 27.896 28.738 0.084 0.000 0.911 578 Q HN 0.697 nan 8.270 nan 0.000 0.418 579 Q N -0.722 119.140 119.800 0.103 0.000 2.084 579 Q HA -0.099 4.233 4.340 -0.015 0.000 0.202 579 Q C 2.295 178.340 176.000 0.074 0.000 0.978 579 Q CA 1.346 57.190 55.803 0.068 0.000 0.844 579 Q CB -0.205 28.540 28.738 0.012 0.000 0.898 579 Q HN 0.573 nan 8.270 nan 0.000 0.426 580 L N -0.059 121.205 121.223 0.069 0.000 1.970 580 L HA -0.188 4.144 4.340 -0.015 0.000 0.212 580 L C 1.876 178.713 176.870 -0.055 0.000 1.071 580 L CA 1.884 56.706 54.840 -0.030 0.000 0.751 580 L CB -0.636 41.389 42.059 -0.057 0.000 0.889 580 L HN 0.119 nan 8.230 nan 0.000 0.432 581 F N -0.458 119.547 119.950 0.091 0.000 2.367 581 F HA -0.104 4.418 4.527 -0.009 0.000 0.298 581 F C 2.167 178.000 175.800 0.055 0.000 1.094 581 F CA 0.842 58.892 58.000 0.082 0.000 1.409 581 F CB -0.507 38.549 39.000 0.094 0.000 1.064 581 F HN 0.163 nan 8.300 nan 0.000 0.528 582 D N -0.766 119.762 120.400 0.214 0.000 2.092 582 D HA -0.234 4.397 4.640 -0.015 0.000 0.193 582 D C 2.022 178.380 176.300 0.097 0.000 0.994 582 D CA 1.614 55.693 54.000 0.132 0.000 0.828 582 D CB -0.527 40.338 40.800 0.109 0.000 0.963 582 D HN 0.272 nan 8.370 nan 0.000 0.450 583 H N 0.196 119.258 119.070 -0.012 0.000 2.319 583 H HA -0.034 4.513 4.556 -0.015 0.000 0.299 583 H C 2.136 177.416 175.328 -0.080 0.000 1.092 583 H CA 1.389 57.404 56.048 -0.054 0.000 1.302 583 H CB -0.394 29.316 29.762 -0.087 0.000 1.373 583 H HN 0.101 nan 8.280 nan 0.000 0.497 584 I N -0.679 119.829 120.570 -0.103 0.000 2.163 584 I HA -0.304 3.857 4.170 -0.015 0.000 0.243 584 I C 2.304 178.390 176.117 -0.052 0.000 1.085 584 I CA 1.321 62.532 61.300 -0.148 0.000 1.347 584 I CB -0.299 37.596 38.000 -0.175 0.000 1.044 584 I HN 0.170 nan 8.210 nan 0.000 0.408 585 V N 0.659 120.570 119.914 -0.006 0.000 2.295 585 V HA -0.305 3.807 4.120 -0.015 0.000 0.246 585 V C 2.124 178.184 176.094 -0.058 0.000 1.049 585 V CA 2.036 64.336 62.300 0.000 0.000 1.024 585 V CB -0.749 31.099 31.823 0.041 0.000 0.648 585 V HN 0.409 nan 8.190 nan 0.000 0.447 586 D N -0.177 120.167 120.400 -0.093 0.000 2.149 586 D HA -0.209 4.422 4.640 -0.015 0.000 0.194 586 D C 2.180 178.349 176.300 -0.218 0.000 1.001 586 D CA 1.996 55.919 54.000 -0.129 0.000 0.849 586 D CB -0.461 40.255 40.800 -0.140 0.000 0.939 586 D HN 0.502 nan 8.370 nan 0.000 0.449 587 C N 0.453 119.524 119.300 -0.381 0.000 2.429 587 C HA -0.064 4.388 4.460 -0.015 0.000 0.277 587 C C 2.904 177.702 174.990 -0.320 0.000 1.262 587 C CA -0.108 58.504 59.018 -0.678 0.000 1.733 587 C CB -1.006 26.188 27.740 -0.910 0.000 2.010 587 C HN 0.331 nan 8.230 nan 0.000 0.483 588 I N 1.183 121.674 120.570 -0.132 0.000 2.142 588 I HA -0.176 3.985 4.170 -0.015 0.000 0.240 588 I C 2.768 178.924 176.117 0.066 0.000 1.078 588 I CA 2.010 63.313 61.300 0.005 0.000 1.343 588 I CB -0.854 37.148 38.000 0.003 0.000 1.046 588 I HN 0.319 nan 8.210 nan 0.000 0.405 589 V N 0.666 120.588 119.914 0.013 0.000 2.282 589 V HA -0.383 3.728 4.120 -0.015 0.000 0.249 589 V C 2.326 178.445 176.094 0.041 0.000 1.057 589 V CA 2.895 65.209 62.300 0.023 0.000 1.032 589 V CB -0.787 31.037 31.823 0.001 0.000 0.645 589 V HN 0.467 nan 8.190 nan 0.000 0.447 590 D N -1.114 119.302 120.400 0.027 0.000 2.103 590 D HA -0.236 4.395 4.640 -0.015 0.000 0.190 590 D C 2.065 178.460 176.300 0.157 0.000 0.997 590 D CA 1.990 56.036 54.000 0.077 0.000 0.833 590 D CB -0.020 40.820 40.800 0.068 0.000 0.961 590 D HN 0.550 nan 8.370 nan 0.000 0.447 591 F N 1.501 121.497 119.950 0.077 0.000 2.046 591 F HA -0.206 4.313 4.527 -0.014 0.000 0.297 591 F C 2.793 178.619 175.800 0.045 0.000 1.123 591 F CA 1.863 59.928 58.000 0.108 0.000 1.199 591 F CB -0.559 38.513 39.000 0.120 0.000 0.972 591 F HN 0.021 nan 8.300 nan 0.000 0.474 592 Q N -0.511 119.372 119.800 0.139 0.000 2.077 592 Q HA -0.340 3.992 4.340 -0.015 0.000 0.206 592 Q C 2.446 178.411 176.000 -0.058 0.000 0.989 592 Q CA 2.611 58.426 55.803 0.021 0.000 0.853 592 Q CB -0.720 28.059 28.738 0.068 0.000 0.907 592 Q HN 0.718 nan 8.270 nan 0.000 0.418 593 Q N 1.382 121.166 119.800 -0.025 0.000 2.124 593 Q HA -0.195 4.136 4.340 -0.015 0.000 0.202 593 Q C 1.712 177.670 176.000 -0.069 0.000 0.977 593 Q CA 1.923 57.706 55.803 -0.033 0.000 0.850 593 Q CB -0.493 28.242 28.738 -0.005 0.000 0.901 593 Q HN 0.365 nan 8.270 nan 0.000 0.429 594 K N -0.365 119.973 120.400 -0.104 0.000 2.296 594 K HA -0.018 4.293 4.320 -0.015 0.000 0.200 594 K C 2.110 178.580 176.600 -0.217 0.000 1.048 594 K CA 0.978 57.180 56.287 -0.140 0.000 0.966 594 K CB 0.435 32.858 32.500 -0.128 0.000 0.754 594 K HN 0.374 nan 8.250 nan 0.000 0.466 595 Q N -0.989 118.630 119.800 -0.303 0.000 2.384 595 Q HA 0.105 4.436 4.340 -0.015 0.000 0.207 595 Q C 1.039 176.943 176.000 -0.158 0.000 0.904 595 Q CA 0.779 56.404 55.803 -0.297 0.000 0.933 595 Q CB 1.413 29.872 28.738 -0.465 0.000 1.077 595 Q HN 0.468 nan 8.270 nan 0.000 0.522 596 G N 0.119 108.849 108.800 -0.116 0.000 2.179 596 G HA2 -0.398 3.553 3.960 -0.015 0.000 0.260 596 G HA3 -0.398 3.553 3.960 -0.015 0.000 0.260 596 G C 1.149 176.016 174.900 -0.054 0.000 0.977 596 G CA 0.868 45.926 45.100 -0.070 0.000 0.641 596 G HN 0.420 nan 8.290 nan 0.000 0.533 597 L N -1.678 119.509 121.223 -0.059 0.000 1.989 597 L HA 0.393 4.725 4.340 -0.015 0.000 0.211 597 L C 3.274 180.135 176.870 -0.015 0.000 1.071 597 L CA 3.928 58.752 54.840 -0.027 0.000 0.749 597 L CB -1.746 40.312 42.059 -0.002 0.000 0.890 597 L HN 2.615 nan 8.230 nan 0.000 0.431 598 S N -1.497 114.195 115.700 -0.013 0.000 4.155 598 S HA -0.331 4.130 4.470 -0.015 0.000 0.542 598 S C 2.666 177.266 174.600 -0.000 0.000 1.863 598 S CA 2.758 60.954 58.200 -0.007 0.000 4.239 598 S CB -2.070 61.122 63.200 -0.014 0.000 0.331 598 S HN 2.144 nan 8.310 nan 0.000 0.461 599 G N 0.720 109.517 108.800 -0.004 0.000 2.403 599 G HA2 0.383 4.334 3.960 -0.015 0.000 0.216 599 G HA3 0.383 4.334 3.960 -0.015 0.000 0.216 599 G C 1.115 176.014 174.900 -0.001 0.000 1.154 599 G CA 2.038 47.137 45.100 -0.002 0.000 0.784 599 G HN 2.035 nan 8.290 nan 0.000 0.538 600 Q N 0.872 120.669 119.800 -0.005 0.000 2.242 600 Q HA 0.435 4.767 4.340 -0.015 0.000 0.284 600 Q C 0.581 176.582 176.000 0.001 0.000 1.130 600 Q CA 0.421 56.220 55.803 -0.007 0.000 0.940 600 Q CB -0.604 28.125 28.738 -0.014 0.000 1.146 600 Q HN 0.874 nan 8.270 nan 0.000 0.388 601 S N 3.391 119.092 115.700 0.001 0.000 2.409 601 S HA 0.621 5.082 4.470 -0.015 0.000 0.308 601 S C -0.136 174.468 174.600 0.006 0.000 1.080 601 S CA -0.657 57.549 58.200 0.009 0.000 1.081 601 S CB -0.156 63.050 63.200 0.010 0.000 1.009 601 S HN 0.617 nan 8.310 nan 0.000 0.502 602 L N 3.372 124.603 121.223 0.013 0.000 2.439 602 L HA 0.521 4.852 4.340 -0.015 0.000 0.259 602 L C -2.190 174.704 176.870 0.040 0.000 1.129 602 L CA -2.794 52.048 54.840 0.003 0.000 0.803 602 L CB 0.617 42.676 42.059 0.000 0.000 1.161 602 L HN 0.381 nan 8.230 nan 0.000 0.462 603 P HA 0.132 nan 4.420 nan 0.000 0.271 603 P C -0.820 176.602 177.300 0.203 0.000 1.226 603 P CA -0.044 63.144 63.100 0.146 0.000 0.765 603 P CB 0.578 32.419 31.700 0.235 0.000 0.835 604 L N 3.161 124.473 121.223 0.148 0.000 2.312 604 L HA 0.642 4.973 4.340 -0.015 0.000 0.281 604 L C 0.566 177.520 176.870 0.140 0.000 1.070 604 L CA -0.213 54.701 54.840 0.123 0.000 0.805 604 L CB 0.840 42.937 42.059 0.063 0.000 1.174 604 L HN 0.451 nan 8.230 nan 0.000 0.434 605 G N 4.025 112.896 108.800 0.118 0.000 2.655 605 G HA2 0.246 4.197 3.960 -0.015 0.000 0.334 605 G HA3 0.246 4.197 3.960 -0.015 0.000 0.334 605 G C -0.977 174.030 174.900 0.178 0.000 1.099 605 G CA -0.327 44.834 45.100 0.101 0.000 1.075 605 G HN 0.387 nan 8.290 nan 0.000 0.463 606 F N 3.604 123.596 119.950 0.071 0.000 2.404 606 F HA 0.348 4.867 4.527 -0.013 0.000 0.359 606 F C 0.672 176.557 175.800 0.141 0.000 1.134 606 F CA -1.044 57.027 58.000 0.119 0.000 1.160 606 F CB 0.628 39.698 39.000 0.117 0.000 1.186 606 F HN 0.182 nan 8.300 nan 0.000 0.526 607 T N 7.460 122.355 114.554 0.567 0.000 2.723 607 T HA 0.190 4.531 4.350 -0.015 0.000 0.297 607 T C -0.698 174.275 174.700 0.455 0.000 0.925 607 T CA 0.013 62.322 62.100 0.349 0.000 1.030 607 T CB -0.189 68.798 68.868 0.198 0.000 0.905 607 T HN 0.380 nan 8.240 nan 0.000 0.502 608 F N 4.030 123.997 119.950 0.028 0.000 2.532 608 F HA 0.341 4.860 4.527 -0.015 0.000 0.365 608 F C 0.583 176.354 175.800 -0.048 0.000 1.112 608 F CA -1.253 56.699 58.000 -0.080 0.000 1.082 608 F CB 0.918 39.605 39.000 -0.523 0.000 1.319 608 F HN 0.483 nan 8.300 nan 0.000 0.457 609 S N 4.632 120.054 115.700 -0.462 0.000 3.811 609 S HA 0.434 4.895 4.470 -0.015 0.000 0.205 609 S C -0.664 173.252 174.600 -1.141 0.000 1.445 609 S CA -0.170 57.651 58.200 -0.632 0.000 1.097 609 S CB -1.163 61.714 63.200 -0.539 0.000 1.350 609 S HN 0.392 nan 8.310 nan 0.000 0.471 610 F N -0.189 119.471 119.950 -0.484 0.000 2.685 610 F HA 0.559 5.079 4.527 -0.011 0.000 0.315 610 F C -2.837 172.873 175.800 -0.150 0.000 1.126 610 F CA -2.705 55.082 58.000 -0.355 0.000 0.950 610 F CB 1.075 39.722 39.000 -0.588 0.000 1.360 610 F HN -0.039 nan 8.300 nan 0.000 0.469 611 P HA 0.273 nan 4.420 nan 0.000 0.276 611 P C -1.159 176.187 177.300 0.076 0.000 1.253 611 P CA -0.155 62.993 63.100 0.079 0.000 0.766 611 P CB 0.413 32.157 31.700 0.074 0.000 0.845 612 C N 3.641 122.980 119.300 0.065 0.000 2.626 612 C HA 0.552 5.003 4.460 -0.015 0.000 0.310 612 C C 0.220 175.220 174.990 0.016 0.000 1.191 612 C CA -0.558 58.481 59.018 0.036 0.000 1.517 612 C CB 1.664 29.432 27.740 0.046 0.000 2.102 612 C HN 0.468 nan 8.230 nan 0.000 0.479 613 R N 2.385 122.881 120.500 -0.006 0.000 2.196 613 R HA 0.386 4.717 4.340 -0.015 0.000 0.340 613 R C -0.484 175.809 176.300 -0.011 0.000 1.043 613 R CA 0.528 56.629 56.100 0.002 0.000 0.883 613 R CB -0.014 30.280 30.300 -0.010 0.000 1.078 613 R HN 0.783 nan 8.270 nan 0.000 0.462 614 Q N 4.385 124.199 119.800 0.023 0.000 2.312 614 Q HA 0.305 4.636 4.340 -0.015 0.000 0.263 614 Q C -0.348 175.621 176.000 -0.053 0.000 0.995 614 Q CA -0.860 54.931 55.803 -0.019 0.000 0.853 614 Q CB 1.984 30.741 28.738 0.032 0.000 1.300 614 Q HN 0.463 nan 8.270 nan 0.000 0.448 615 L N 0.838 121.886 121.223 -0.292 0.000 2.857 615 L HA 0.449 4.781 4.340 -0.015 0.000 0.249 615 L C 0.413 176.537 176.870 -1.243 0.000 1.172 615 L CA 0.020 54.500 54.840 -0.600 0.000 0.980 615 L CB 1.011 42.908 42.059 -0.270 0.000 1.299 615 L HN 0.715 nan 8.230 nan 0.000 0.535 616 G N -1.903 106.312 108.800 -0.975 0.000 2.466 616 G HA2 0.345 4.296 3.960 -0.015 0.000 0.291 616 G HA3 0.345 4.296 3.960 -0.015 0.000 0.291 616 G C 0.078 174.816 174.900 -0.269 0.000 1.460 616 G CA -0.751 43.929 45.100 -0.699 0.000 0.791 616 G HN -0.119 nan 8.290 nan 0.000 0.505 617 L N 0.090 121.252 121.223 -0.101 0.000 2.083 617 L HA 0.014 4.345 4.340 -0.015 0.000 0.209 617 L C 2.322 179.174 176.870 -0.030 0.000 1.083 617 L CA 1.752 56.584 54.840 -0.012 0.000 0.752 617 L CB -0.144 41.929 42.059 0.023 0.000 0.899 617 L HN 0.738 nan 8.230 nan 0.000 0.433 618 D N -0.278 120.090 120.400 -0.053 0.000 2.336 618 D HA -0.074 4.558 4.640 -0.015 0.000 0.229 618 D C 0.430 176.694 176.300 -0.060 0.000 1.061 618 D CA 0.007 53.985 54.000 -0.036 0.000 0.875 618 D CB -0.043 40.739 40.800 -0.031 0.000 0.904 618 D HN 0.527 nan 8.370 nan 0.000 0.525 619 Q N -1.692 118.053 119.800 -0.091 0.000 2.377 619 Q HA 0.634 4.965 4.340 -0.015 0.000 0.279 619 Q C -1.028 174.902 176.000 -0.116 0.000 1.049 619 Q CA -1.394 54.343 55.803 -0.110 0.000 0.825 619 Q CB 2.122 30.784 28.738 -0.127 0.000 1.401 619 Q HN 0.000 nan 8.270 nan 0.000 0.404 620 G N 2.029 110.748 108.800 -0.135 0.000 2.152 620 G HA2 0.454 4.405 3.960 -0.015 0.000 0.290 620 G HA3 0.454 4.405 3.960 -0.015 0.000 0.290 620 G C -1.468 173.334 174.900 -0.164 0.000 1.307 620 G CA -0.557 44.465 45.100 -0.131 0.000 1.289 620 G HN 0.416 nan 8.290 nan 0.000 0.612 621 I N 2.711 123.208 120.570 -0.121 0.000 2.322 621 I HA 0.198 4.359 4.170 -0.015 0.000 0.292 621 I C 0.610 176.656 176.117 -0.118 0.000 1.060 621 I CA -0.677 60.545 61.300 -0.129 0.000 1.309 621 I CB 1.388 39.331 38.000 -0.095 0.000 1.415 621 I HN 0.471 nan 8.210 nan 0.000 0.492 622 L N 7.612 128.733 121.223 -0.170 0.000 2.628 622 L HA -0.003 4.328 4.340 -0.015 0.000 0.274 622 L C 0.676 177.452 176.870 -0.157 0.000 1.209 622 L CA 0.945 55.686 54.840 -0.165 0.000 0.930 622 L CB 0.083 41.941 42.059 -0.335 0.000 1.183 622 L HN 0.625 nan 8.230 nan 0.000 0.492 623 L N 4.041 125.206 121.223 -0.097 0.000 2.084 623 L HA 0.172 4.503 4.340 -0.015 0.000 0.202 623 L C 0.545 177.363 176.870 -0.085 0.000 1.074 623 L CA 0.463 55.263 54.840 -0.066 0.000 0.757 623 L CB -0.197 41.854 42.059 -0.015 0.000 0.918 623 L HN 0.684 nan 8.230 nan 0.000 0.444 624 N N -2.054 116.591 118.700 -0.093 0.000 2.331 624 N HA 0.179 4.910 4.740 -0.015 0.000 0.280 624 N C -1.751 173.705 175.510 -0.091 0.000 1.155 624 N CA -0.529 52.484 53.050 -0.060 0.000 0.822 624 N CB 1.559 40.084 38.487 0.065 0.000 1.619 624 N HN -0.057 nan 8.380 nan 0.000 0.476 625 W N 0.905 122.224 121.300 0.033 0.000 2.237 625 W HA 0.377 5.031 4.660 -0.009 0.000 0.335 625 W C 1.171 177.792 176.519 0.171 0.000 1.230 625 W CA 0.004 57.332 57.345 -0.028 0.000 1.253 625 W CB 0.940 30.384 29.460 -0.028 0.000 1.129 625 W HN 0.450 nan 8.180 nan 0.000 0.590 626 T N -1.680 113.273 114.554 0.664 0.000 2.696 626 T HA 0.593 4.934 4.350 -0.015 0.000 0.291 626 T C -0.011 175.031 174.700 0.569 0.000 1.095 626 T CA -0.888 61.526 62.100 0.522 0.000 1.026 626 T CB 2.127 71.242 68.868 0.412 0.000 1.390 626 T HN 0.597 nan 8.240 nan 0.000 0.513 627 K N -0.434 120.231 120.400 0.442 0.000 1.751 627 K HA -0.218 4.093 4.320 -0.015 0.000 0.134 627 K C 1.249 178.052 176.600 0.338 0.000 1.167 627 K CA 1.429 57.941 56.287 0.375 0.000 0.330 627 K CB -1.850 30.832 32.500 0.304 0.000 0.663 627 K HN 0.986 nan 8.250 nan 0.000 0.817 628 G N 0.311 109.311 108.800 0.332 0.000 3.337 628 G HA2 0.353 4.304 3.960 -0.015 0.000 0.246 628 G HA3 0.353 4.304 3.960 -0.015 0.000 0.246 628 G C -0.393 174.492 174.900 -0.026 0.000 1.131 628 G CA -0.267 44.905 45.100 0.120 0.000 0.773 628 G HN 0.118 nan 8.290 nan 0.000 0.544 629 F N 0.195 120.127 119.950 -0.030 0.000 2.399 629 F HA 0.599 5.117 4.527 -0.016 0.000 0.334 629 F C 0.777 176.324 175.800 -0.422 0.000 1.097 629 F CA -0.387 57.387 58.000 -0.377 0.000 1.076 629 F CB 2.200 40.793 39.000 -0.678 0.000 1.162 629 F HN -0.048 nan 8.300 nan 0.000 0.495 630 K N 1.544 121.652 120.400 -0.487 0.000 2.817 630 K HA 0.671 4.982 4.320 -0.015 0.000 0.183 630 K C -0.098 176.301 176.600 -0.334 0.000 1.145 630 K CA 0.160 56.268 56.287 -0.299 0.000 1.114 630 K CB -0.111 32.339 32.500 -0.083 0.000 0.767 630 K HN 0.866 nan 8.250 nan 0.000 0.453 631 A N 1.734 124.141 122.820 -0.690 0.000 2.546 631 A HA 0.473 4.785 4.320 -0.015 0.000 0.243 631 A C 0.924 178.618 177.584 0.183 0.000 1.063 631 A CA 0.631 52.537 52.037 -0.219 0.000 0.757 631 A CB -0.358 18.514 19.000 -0.212 0.000 0.991 631 A HN 1.305 nan 8.150 nan 0.000 0.503 632 S N 2.110 117.892 115.700 0.137 0.000 2.603 632 S HA 0.380 4.842 4.470 -0.015 0.000 0.268 632 S C 0.079 174.796 174.600 0.195 0.000 1.317 632 S CA 0.123 58.422 58.200 0.165 0.000 1.012 632 S CB 0.587 63.841 63.200 0.089 0.000 0.926 632 S HN 0.795 nan 8.310 nan 0.000 0.539 633 D N -0.300 120.191 120.400 0.152 0.000 2.911 633 D HA -0.152 4.479 4.640 -0.015 0.000 0.227 633 D C 0.424 176.793 176.300 0.115 0.000 1.164 633 D CA 0.977 55.041 54.000 0.107 0.000 0.782 633 D CB -1.971 38.875 40.800 0.077 0.000 1.094 633 D HN 0.561 nan 8.370 nan 0.000 0.425 634 C N -0.088 119.323 119.300 0.185 0.000 2.628 634 C HA 0.047 4.498 4.460 -0.015 0.000 0.393 634 C C 1.190 176.150 174.990 -0.050 0.000 1.328 634 C CA -0.220 58.885 59.018 0.145 0.000 2.079 634 C CB 0.254 28.276 27.740 0.469 0.000 2.663 634 C HN 0.233 nan 8.230 nan 0.000 0.557 635 E N 0.728 120.891 120.200 -0.061 0.000 2.414 635 E HA 0.357 4.698 4.350 -0.015 0.000 0.263 635 E C 1.078 177.622 176.600 -0.093 0.000 1.000 635 E CA 0.949 57.255 56.400 -0.156 0.000 0.914 635 E CB 0.152 29.796 29.700 -0.094 0.000 0.948 635 E HN 0.616 nan 8.360 nan 0.000 0.444 636 G N 2.571 111.303 108.800 -0.113 0.000 2.179 636 G HA2 -0.252 3.699 3.960 -0.015 0.000 0.260 636 G HA3 -0.252 3.699 3.960 -0.015 0.000 0.260 636 G C 0.124 174.967 174.900 -0.094 0.000 0.977 636 G CA -0.187 44.864 45.100 -0.083 0.000 0.641 636 G HN 0.430 nan 8.290 nan 0.000 0.533 637 Q N 0.504 120.229 119.800 -0.125 0.000 2.245 637 Q HA 0.415 4.746 4.340 -0.015 0.000 0.256 637 Q C -0.622 175.268 176.000 -0.183 0.000 0.942 637 Q CA -0.655 55.063 55.803 -0.142 0.000 0.896 637 Q CB 1.725 30.372 28.738 -0.152 0.000 1.272 637 Q HN 0.348 nan 8.270 nan 0.000 0.442 638 D N 0.925 121.221 120.400 -0.172 0.000 2.371 638 D HA -0.002 4.629 4.640 -0.015 0.000 0.256 638 D C 1.193 177.336 176.300 -0.262 0.000 1.193 638 D CA -0.089 53.795 54.000 -0.193 0.000 0.881 638 D CB 1.015 41.726 40.800 -0.148 0.000 1.143 638 D HN 0.341 nan 8.370 nan 0.000 0.473 639 V N 2.496 122.200 119.914 -0.350 0.000 2.626 639 V HA -0.162 3.949 4.120 -0.015 0.000 0.252 639 V C 1.951 177.884 176.094 -0.268 0.000 1.067 639 V CA 1.141 63.168 62.300 -0.454 0.000 1.081 639 V CB -0.726 30.579 31.823 -0.864 0.000 0.686 639 V HN 0.457 nan 8.190 nan 0.000 0.468 640 V N 0.962 120.769 119.914 -0.178 0.000 2.343 640 V HA -0.203 3.908 4.120 -0.015 0.000 0.247 640 V C 2.859 178.899 176.094 -0.089 0.000 1.051 640 V CA 2.447 64.711 62.300 -0.060 0.000 1.036 640 V CB -0.719 31.076 31.823 -0.045 0.000 0.654 640 V HN 0.642 nan 8.190 nan 0.000 0.451 641 S N 0.004 115.620 115.700 -0.140 0.000 2.355 641 S HA -0.090 4.371 4.470 -0.015 0.000 0.222 641 S C 1.924 176.402 174.600 -0.204 0.000 1.031 641 S CA 1.386 59.502 58.200 -0.141 0.000 0.993 641 S CB -0.374 62.745 63.200 -0.135 0.000 0.859 641 S HN 0.459 nan 8.310 nan 0.000 0.453 642 L N 0.730 121.746 121.223 -0.346 0.000 2.089 642 L HA -0.177 4.154 4.340 -0.015 0.000 0.213 642 L C 2.381 178.914 176.870 -0.562 0.000 1.079 642 L CA 0.883 55.353 54.840 -0.616 0.000 0.758 642 L CB -0.531 40.843 42.059 -1.140 0.000 0.891 642 L HN 0.285 nan 8.230 nan 0.000 0.433 643 L N -0.371 120.679 121.223 -0.289 0.000 2.044 643 L HA -0.130 4.201 4.340 -0.015 0.000 0.205 643 L C 2.719 179.589 176.870 -0.000 0.000 1.075 643 L CA 1.537 56.383 54.840 0.011 0.000 0.747 643 L CB -0.537 41.621 42.059 0.165 0.000 0.903 643 L HN 0.051 nan 8.230 nan 0.000 0.435 644 R N -0.290 120.190 120.500 -0.033 0.000 2.097 644 R HA -0.224 4.107 4.340 -0.015 0.000 0.236 644 R C 2.152 178.438 176.300 -0.023 0.000 1.135 644 R CA 2.199 58.286 56.100 -0.021 0.000 0.934 644 R CB -0.341 29.939 30.300 -0.033 0.000 0.846 644 R HN 0.495 nan 8.270 nan 0.000 0.431 645 E N -0.385 119.784 120.200 -0.051 0.000 2.130 645 E HA -0.238 4.103 4.350 -0.015 0.000 0.196 645 E C 1.891 178.486 176.600 -0.007 0.000 0.998 645 E CA 1.424 57.800 56.400 -0.040 0.000 0.806 645 E CB -0.123 29.536 29.700 -0.069 0.000 0.738 645 E HN 0.418 nan 8.360 nan 0.000 0.459 646 A N 0.917 123.743 122.820 0.009 0.000 1.897 646 A HA -0.123 4.188 4.320 -0.015 0.000 0.215 646 A C 2.171 179.787 177.584 0.053 0.000 1.181 646 A CA 0.828 52.904 52.037 0.066 0.000 0.620 646 A CB -0.452 18.642 19.000 0.157 0.000 0.821 646 A HN 0.132 nan 8.150 nan 0.000 0.443 647 I N 0.543 121.139 120.570 0.043 0.000 2.163 647 I HA -0.283 3.879 4.170 -0.015 0.000 0.243 647 I C 2.922 179.052 176.117 0.021 0.000 1.085 647 I CA 2.022 63.342 61.300 0.032 0.000 1.347 647 I CB -0.520 37.496 38.000 0.027 0.000 1.044 647 I HN 0.580 nan 8.210 nan 0.000 0.408 648 T N -1.226 113.337 114.554 0.014 0.000 2.746 648 T HA -0.184 4.157 4.350 -0.015 0.000 0.267 648 T C 2.029 176.737 174.700 0.013 0.000 1.039 648 T CA 0.861 62.967 62.100 0.009 0.000 1.142 648 T CB -0.413 68.456 68.868 0.002 0.000 0.866 648 T HN 0.279 nan 8.240 nan 0.000 0.444 649 R N 1.221 121.731 120.500 0.017 0.000 2.082 649 R HA -0.019 4.312 4.340 -0.015 0.000 0.234 649 R C 3.212 179.526 176.300 0.023 0.000 1.136 649 R CA 1.971 58.083 56.100 0.021 0.000 0.935 649 R CB -0.578 29.740 30.300 0.029 0.000 0.842 649 R HN 0.514 nan 8.270 nan 0.000 0.430 650 R N 1.466 121.983 120.500 0.029 0.000 2.328 650 R HA -0.071 4.260 4.340 -0.015 0.000 0.207 650 R C 0.788 177.099 176.300 0.018 0.000 1.056 650 R CA 1.092 57.207 56.100 0.025 0.000 1.016 650 R CB -1.078 29.239 30.300 0.028 0.000 0.872 650 R HN 0.490 nan 8.270 nan 0.000 0.471 651 Q N -1.745 118.065 119.800 0.017 0.000 2.460 651 Q HA -0.173 4.159 4.340 -0.015 0.000 0.311 651 Q C 0.231 176.239 176.000 0.012 0.000 1.396 651 Q CA 0.204 56.014 55.803 0.013 0.000 0.838 651 Q CB -2.450 26.294 28.738 0.011 0.000 1.140 651 Q HN 0.875 nan 8.270 nan 0.000 0.415 652 A N -0.327 122.502 122.820 0.015 0.000 2.301 652 A HA 0.668 4.979 4.320 -0.015 0.000 0.287 652 A C 0.422 178.014 177.584 0.014 0.000 1.274 652 A CA -0.358 51.688 52.037 0.015 0.000 0.865 652 A CB 0.711 19.721 19.000 0.018 0.000 1.324 652 A HN 0.195 nan 8.150 nan 0.000 0.508 653 V N 1.338 121.261 119.914 0.015 0.000 2.637 653 V HA 0.084 4.195 4.120 -0.015 0.000 0.296 653 V C 0.867 176.969 176.094 0.015 0.000 1.046 653 V CA -0.148 62.160 62.300 0.013 0.000 1.066 653 V CB 0.546 32.378 31.823 0.014 0.000 0.968 653 V HN 0.931 nan 8.190 nan 0.000 0.483 654 E N 2.906 123.112 120.200 0.011 0.000 2.608 654 E HA 0.136 4.478 4.350 -0.015 0.000 0.259 654 E C -0.093 176.516 176.600 0.015 0.000 0.951 654 E CA -0.380 56.027 56.400 0.011 0.000 0.945 654 E CB 0.741 30.445 29.700 0.007 0.000 0.916 654 E HN 0.749 nan 8.360 nan 0.000 0.477 655 L N 4.153 125.386 121.223 0.017 0.000 2.455 655 L HA 0.125 4.456 4.340 -0.015 0.000 0.272 655 L C 0.467 177.351 176.870 0.023 0.000 1.174 655 L CA -0.047 54.807 54.840 0.024 0.000 0.869 655 L CB 0.125 42.200 42.059 0.027 0.000 1.130 655 L HN 0.786 nan 8.230 nan 0.000 0.474 656 N N 2.214 120.932 118.700 0.030 0.000 2.592 656 N HA 0.692 5.423 4.740 -0.015 0.000 0.290 656 N C 0.381 175.916 175.510 0.040 0.000 1.364 656 N CA 0.568 53.636 53.050 0.030 0.000 0.878 656 N CB 0.442 38.947 38.487 0.029 0.000 1.104 656 N HN 0.976 nan 8.380 nan 0.000 0.485 657 V N 1.053 120.999 119.914 0.052 0.000 2.446 657 V HA 0.342 4.453 4.120 -0.015 0.000 0.276 657 V C -0.005 176.139 176.094 0.084 0.000 1.030 657 V CA 0.022 62.359 62.300 0.062 0.000 1.033 657 V CB -0.147 31.721 31.823 0.076 0.000 0.993 657 V HN 0.254 nan 8.190 nan 0.000 0.477 658 V N 4.551 124.509 119.914 0.073 0.000 2.547 658 V HA 0.868 4.979 4.120 -0.015 0.000 0.299 658 V C 0.502 176.650 176.094 0.089 0.000 1.040 658 V CA -0.286 62.073 62.300 0.098 0.000 0.913 658 V CB 1.413 33.301 31.823 0.108 0.000 0.992 658 V HN 1.306 nan 8.190 nan 0.000 0.449 659 A N 5.418 128.306 122.820 0.113 0.000 2.343 659 A HA 0.798 5.109 4.320 -0.015 0.000 0.308 659 A C -0.965 176.688 177.584 0.114 0.000 1.092 659 A CA -0.513 51.573 52.037 0.082 0.000 0.751 659 A CB 0.904 19.938 19.000 0.056 0.000 1.203 659 A HN 0.578 nan 8.150 nan 0.000 0.452 660 I N 3.640 124.244 120.570 0.057 0.000 2.331 660 I HA 0.450 4.612 4.170 -0.015 0.000 0.292 660 I C -0.082 176.060 176.117 0.043 0.000 0.998 660 I CA -0.271 61.047 61.300 0.030 0.000 1.267 660 I CB 0.994 38.955 38.000 -0.065 0.000 1.386 660 I HN 0.528 nan 8.210 nan 0.000 0.476 661 V N 4.208 124.164 119.914 0.071 0.000 2.760 661 V HA 0.541 4.653 4.120 -0.015 0.000 0.309 661 V C -0.219 175.909 176.094 0.056 0.000 1.077 661 V CA -0.959 61.373 62.300 0.053 0.000 0.910 661 V CB 2.026 33.874 31.823 0.043 0.000 1.008 661 V HN 0.776 nan 8.190 nan 0.000 0.424 662 N N 2.558 121.268 118.700 0.016 0.000 2.503 662 N HA 0.044 4.775 4.740 -0.015 0.000 0.267 662 N C 0.669 176.154 175.510 -0.041 0.000 1.214 662 N CA 0.283 53.318 53.050 -0.024 0.000 0.959 662 N CB 1.630 40.087 38.487 -0.051 0.000 1.142 662 N HN 0.998 nan 8.380 nan 0.000 0.455 663 D N 1.422 121.777 120.400 -0.076 0.000 2.149 663 D HA -0.221 4.410 4.640 -0.015 0.000 0.198 663 D C 1.664 177.919 176.300 -0.074 0.000 0.990 663 D CA 2.092 56.052 54.000 -0.067 0.000 0.839 663 D CB -0.962 39.782 40.800 -0.094 0.000 0.948 663 D HN 0.714 nan 8.370 nan 0.000 0.460 664 T N -0.652 113.842 114.554 -0.100 0.000 2.652 664 T HA -0.170 4.171 4.350 -0.015 0.000 0.267 664 T C 2.274 176.923 174.700 -0.085 0.000 1.039 664 T CA 1.826 63.858 62.100 -0.112 0.000 1.153 664 T CB -1.051 67.723 68.868 -0.156 0.000 0.863 664 T HN 0.094 nan 8.240 nan 0.000 0.428 665 V N 2.171 122.041 119.914 -0.073 0.000 2.343 665 V HA -0.016 4.095 4.120 -0.015 0.000 0.247 665 V C 3.140 179.210 176.094 -0.040 0.000 1.051 665 V CA 1.835 64.101 62.300 -0.056 0.000 1.036 665 V CB -1.626 30.170 31.823 -0.045 0.000 0.654 665 V HN 0.715 nan 8.190 nan 0.000 0.451 666 G N -0.181 108.600 108.800 -0.031 0.000 2.446 666 G HA2 -0.260 3.691 3.960 -0.015 0.000 0.217 666 G HA3 -0.260 3.691 3.960 -0.015 0.000 0.217 666 G C 1.692 176.576 174.900 -0.027 0.000 1.168 666 G CA 1.665 46.752 45.100 -0.022 0.000 0.771 666 G HN 0.485 nan 8.290 nan 0.000 0.551 667 T N 0.978 115.512 114.554 -0.034 0.000 2.708 667 T HA -0.128 4.213 4.350 -0.015 0.000 0.266 667 T C 2.262 176.947 174.700 -0.025 0.000 1.037 667 T CA 1.325 63.407 62.100 -0.030 0.000 1.146 667 T CB -0.270 68.571 68.868 -0.044 0.000 0.865 667 T HN 0.222 nan 8.240 nan 0.000 0.435 668 M N 0.558 120.137 119.600 -0.036 0.000 2.089 668 M HA -0.161 4.311 4.480 -0.015 0.000 0.257 668 M C 2.007 178.300 176.300 -0.011 0.000 1.071 668 M CA 1.825 57.108 55.300 -0.030 0.000 1.096 668 M CB -0.264 32.311 32.600 -0.041 0.000 1.330 668 M HN 0.159 nan 8.290 nan 0.000 0.403 669 M N -0.566 119.027 119.600 -0.012 0.000 2.229 669 M HA -0.101 4.370 4.480 -0.015 0.000 0.264 669 M C 2.151 178.468 176.300 0.027 0.000 1.063 669 M CA 1.277 56.579 55.300 0.003 0.000 1.114 669 M CB -1.192 31.400 32.600 -0.013 0.000 1.387 669 M HN 0.298 nan 8.290 nan 0.000 0.420 670 S N 0.326 116.033 115.700 0.012 0.000 2.355 670 S HA -0.116 4.345 4.470 -0.015 0.000 0.222 670 S C 2.092 176.736 174.600 0.073 0.000 1.031 670 S CA 1.336 59.549 58.200 0.022 0.000 0.993 670 S CB -0.443 62.755 63.200 -0.003 0.000 0.859 670 S HN 0.535 nan 8.310 nan 0.000 0.453 671 C N 1.683 121.014 119.300 0.050 0.000 2.446 671 C HA 0.111 4.562 4.460 -0.015 0.000 0.279 671 C C 2.802 177.829 174.990 0.061 0.000 1.366 671 C CA 0.121 59.173 59.018 0.057 0.000 1.763 671 C CB -1.763 25.995 27.740 0.030 0.000 1.929 671 C HN 0.722 nan 8.230 nan 0.000 0.509 672 G N -0.917 107.917 108.800 0.055 0.000 2.471 672 G HA2 -0.242 3.709 3.960 -0.015 0.000 0.219 672 G HA3 -0.242 3.709 3.960 -0.015 0.000 0.219 672 G C 1.275 176.221 174.900 0.077 0.000 1.125 672 G CA 0.540 45.667 45.100 0.046 0.000 0.775 672 G HN 0.566 nan 8.290 nan 0.000 0.548 673 Y N 1.121 121.415 120.300 -0.009 0.000 2.151 673 Y HA -0.117 4.425 4.550 -0.015 0.000 0.284 673 Y C 1.932 177.832 175.900 0.001 0.000 1.166 673 Y CA 1.929 60.027 58.100 -0.004 0.000 1.163 673 Y CB 0.272 38.731 38.460 -0.001 0.000 0.974 673 Y HN 0.298 nan 8.280 nan 0.000 0.511 674 E N -0.364 119.812 120.200 -0.040 0.000 2.789 674 E HA 0.095 4.436 4.350 -0.015 0.000 0.208 674 E C -0.893 175.678 176.600 -0.048 0.000 0.988 674 E CA 0.067 56.395 56.400 -0.121 0.000 1.092 674 E CB 0.342 30.003 29.700 -0.065 0.000 1.066 674 E HN 0.201 nan 8.360 nan 0.000 0.465 675 D N 0.393 120.775 120.400 -0.030 0.000 2.318 675 D HA 0.126 4.757 4.640 -0.015 0.000 0.233 675 D C -2.255 174.031 176.300 -0.022 0.000 1.348 675 D CA -1.842 52.146 54.000 -0.020 0.000 0.983 675 D CB 1.588 42.386 40.800 -0.003 0.000 1.416 675 D HN -0.185 nan 8.370 nan 0.000 0.558 676 P HA -0.063 nan 4.420 nan 0.000 0.218 676 P C 1.100 178.387 177.300 -0.022 0.000 1.148 676 P CA 0.670 63.754 63.100 -0.027 0.000 0.822 676 P CB 0.328 32.011 31.700 -0.029 0.000 0.784 677 R N -1.498 118.988 120.500 -0.023 0.000 2.313 677 R HA 0.067 4.398 4.340 -0.015 0.000 0.199 677 R C 0.309 176.590 176.300 -0.033 0.000 0.958 677 R CA 0.011 56.096 56.100 -0.026 0.000 1.047 677 R CB -1.390 28.893 30.300 -0.028 0.000 0.955 677 R HN 0.214 nan 8.270 nan 0.000 0.481 678 C N 2.160 121.443 119.300 -0.027 0.000 2.416 678 C HA 0.178 4.630 4.460 -0.015 0.000 0.355 678 C C 0.846 175.821 174.990 -0.026 0.000 1.211 678 C CA -0.200 58.799 59.018 -0.031 0.000 1.699 678 C CB -0.713 27.016 27.740 -0.018 0.000 2.310 678 C HN 0.451 nan 8.230 nan 0.000 0.539 679 E N 4.420 124.603 120.200 -0.029 0.000 2.758 679 E HA 0.320 4.661 4.350 -0.015 0.000 0.215 679 E C -0.669 175.936 176.600 0.007 0.000 0.985 679 E CA 0.134 56.528 56.400 -0.010 0.000 1.102 679 E CB 0.601 30.302 29.700 0.003 0.000 1.042 679 E HN 0.703 nan 8.360 nan 0.000 0.480 680 I N 0.367 120.924 120.570 -0.021 0.000 2.607 680 I HA 0.360 4.521 4.170 -0.015 0.000 0.290 680 I C -0.127 175.958 176.117 -0.052 0.000 1.129 680 I CA -1.053 60.236 61.300 -0.018 0.000 1.042 680 I CB 2.272 40.248 38.000 -0.040 0.000 1.242 680 I HN -0.076 nan 8.210 nan 0.000 0.421 681 G N 5.553 114.314 108.800 -0.065 0.000 2.368 681 G HA2 0.654 4.605 3.960 -0.015 0.000 0.320 681 G HA3 0.654 4.605 3.960 -0.015 0.000 0.320 681 G C -1.559 173.263 174.900 -0.130 0.000 1.158 681 G CA -0.350 44.697 45.100 -0.088 0.000 0.912 681 G HN 0.363 nan 8.290 nan 0.000 0.456 682 L N 3.439 124.595 121.223 -0.112 0.000 2.362 682 L HA 0.673 5.005 4.340 -0.015 0.000 0.275 682 L C -1.083 175.718 176.870 -0.115 0.000 0.998 682 L CA -0.997 53.770 54.840 -0.121 0.000 0.820 682 L CB 1.692 43.747 42.059 -0.008 0.000 1.270 682 L HN 0.304 nan 8.230 nan 0.000 0.415 683 I N 6.091 126.601 120.570 -0.100 0.000 2.465 683 I HA 0.472 4.633 4.170 -0.015 0.000 0.291 683 I C -0.708 175.432 176.117 0.037 0.000 1.014 683 I CA -0.596 60.671 61.300 -0.056 0.000 1.093 683 I CB 1.914 39.870 38.000 -0.072 0.000 1.267 683 I HN 0.321 nan 8.210 nan 0.000 0.431 684 V N 5.898 125.829 119.914 0.028 0.000 2.558 684 V HA 0.614 4.725 4.120 -0.015 0.000 0.261 684 V C 0.418 176.500 176.094 -0.019 0.000 0.958 684 V CA -0.259 62.071 62.300 0.051 0.000 0.852 684 V CB 0.903 32.772 31.823 0.076 0.000 1.067 684 V HN 0.988 nan 8.190 nan 0.000 0.468 685 G N 1.589 110.385 108.800 -0.006 0.000 3.359 685 G HA2 0.266 4.217 3.960 -0.015 0.000 0.187 685 G HA3 0.266 4.217 3.960 -0.015 0.000 0.187 685 G C 0.948 175.839 174.900 -0.015 0.000 1.294 685 G CA 0.812 45.902 45.100 -0.017 0.000 0.769 685 G HN 0.282 nan 8.290 nan 0.000 0.733 686 T N 0.680 115.226 114.554 -0.014 0.000 2.635 686 T HA 0.114 4.455 4.350 -0.015 0.000 0.267 686 T C 1.215 175.910 174.700 -0.010 0.000 1.040 686 T CA 1.671 63.754 62.100 -0.030 0.000 1.156 686 T CB -0.532 68.328 68.868 -0.014 0.000 0.863 686 T HN 0.661 nan 8.240 nan 0.000 0.430 687 G N -0.724 108.095 108.800 0.031 0.000 2.735 687 G HA2 0.563 4.514 3.960 -0.015 0.000 0.301 687 G HA3 0.563 4.514 3.960 -0.015 0.000 0.301 687 G C -1.220 173.756 174.900 0.126 0.000 1.279 687 G CA -0.398 44.769 45.100 0.112 0.000 1.019 687 G HN 0.186 nan 8.290 nan 0.000 0.497 688 T N -0.669 114.021 114.554 0.226 0.000 2.900 688 T HA 0.644 4.985 4.350 -0.015 0.000 0.295 688 T C -1.022 173.873 174.700 0.325 0.000 1.044 688 T CA -0.632 61.655 62.100 0.312 0.000 0.995 688 T CB 1.704 70.861 68.868 0.481 0.000 1.072 688 T HN 0.742 nan 8.240 nan 0.000 0.473 689 N N 0.940 119.657 118.700 0.029 0.000 3.322 689 N HA 0.694 5.425 4.740 -0.015 0.000 0.233 689 N C -2.063 172.911 175.510 -0.894 0.000 1.399 689 N CA -0.102 52.644 53.050 -0.508 0.000 0.894 689 N CB 1.686 40.043 38.487 -0.216 0.000 1.440 689 N HN 0.968 nan 8.380 nan 0.000 0.503 690 A N -0.015 122.139 122.820 -1.109 0.000 2.572 690 A HA 0.780 5.091 4.320 -0.015 0.000 0.295 690 A C -0.721 176.625 177.584 -0.395 0.000 1.072 690 A CA -0.380 51.168 52.037 -0.816 0.000 0.691 690 A CB 0.197 18.421 19.000 -1.293 0.000 1.291 690 A HN 1.298 nan 8.150 nan 0.000 0.404 691 C N -0.521 118.654 119.300 -0.208 0.000 3.080 691 C HA 1.061 5.512 4.460 -0.015 0.000 0.307 691 C C -1.035 173.976 174.990 0.035 0.000 1.311 691 C CA -0.923 58.037 59.018 -0.097 0.000 1.533 691 C CB 0.624 28.283 27.740 -0.135 0.000 1.970 691 C HN 1.888 nan 8.230 nan 0.000 0.467 692 Y N -0.634 119.598 120.300 -0.114 0.000 2.641 692 Y HA 0.684 5.226 4.550 -0.014 0.000 0.333 692 Y C -0.987 174.868 175.900 -0.076 0.000 1.174 692 Y CA -1.530 56.516 58.100 -0.091 0.000 1.057 692 Y CB 0.821 39.232 38.460 -0.082 0.000 1.322 692 Y HN 0.624 nan 8.280 nan 0.000 0.457 693 M N 3.199 122.812 119.600 0.021 0.000 2.341 693 M HA 0.221 4.693 4.480 -0.015 0.000 0.336 693 M C -0.351 175.948 176.300 -0.001 0.000 1.489 693 M CA 0.187 55.447 55.300 -0.066 0.000 1.278 693 M CB -0.223 32.370 32.600 -0.012 0.000 1.657 693 M HN 0.825 nan 8.290 nan 0.000 0.455 694 E N 2.840 122.917 120.200 -0.206 0.000 2.283 694 E HA 0.236 4.577 4.350 -0.015 0.000 0.271 694 E C -0.562 176.010 176.600 -0.047 0.000 1.031 694 E CA -0.317 56.053 56.400 -0.049 0.000 0.868 694 E CB 0.938 30.523 29.700 -0.191 0.000 1.094 694 E HN 0.340 nan 8.360 nan 0.000 0.401 695 E N 3.151 123.351 120.200 -0.000 0.000 2.360 695 E HA -0.000 4.341 4.350 -0.015 0.000 0.269 695 E C 0.731 177.302 176.600 -0.048 0.000 1.022 695 E CA -0.134 56.253 56.400 -0.021 0.000 0.887 695 E CB 0.932 30.630 29.700 -0.003 0.000 0.990 695 E HN 0.568 nan 8.360 nan 0.000 0.426 696 L N 5.166 126.352 121.223 -0.062 0.000 2.127 696 L HA -0.208 4.124 4.340 -0.015 0.000 0.211 696 L C 2.353 179.187 176.870 -0.060 0.000 1.089 696 L CA 1.863 56.654 54.840 -0.081 0.000 0.757 696 L CB -0.367 41.643 42.059 -0.082 0.000 0.899 696 L HN 0.523 nan 8.230 nan 0.000 0.434 697 R N -1.009 119.467 120.500 -0.039 0.000 2.159 697 R HA -0.163 4.168 4.340 -0.015 0.000 0.237 697 R C 1.556 177.841 176.300 -0.024 0.000 1.131 697 R CA 2.082 58.166 56.100 -0.027 0.000 0.982 697 R CB -1.073 29.216 30.300 -0.018 0.000 0.868 697 R HN 0.503 nan 8.270 nan 0.000 0.453 698 N N 0.345 119.031 118.700 -0.024 0.000 2.422 698 N HA 0.044 4.775 4.740 -0.015 0.000 0.181 698 N C -0.595 174.900 175.510 -0.024 0.000 1.080 698 N CA 0.121 53.163 53.050 -0.014 0.000 0.893 698 N CB 0.698 39.187 38.487 0.003 0.000 0.973 698 N HN -0.056 nan 8.380 nan 0.000 0.456 699 V N 1.817 121.702 119.914 -0.048 0.000 2.276 699 V HA 0.222 4.333 4.120 -0.015 0.000 0.249 699 V C 1.119 177.184 176.094 -0.049 0.000 1.160 699 V CA -0.256 62.006 62.300 -0.064 0.000 1.042 699 V CB 0.093 31.847 31.823 -0.115 0.000 1.224 699 V HN 0.212 nan 8.190 nan 0.000 0.496 700 A N 3.959 126.762 122.820 -0.028 0.000 1.972 700 A HA -0.048 4.263 4.320 -0.015 0.000 0.219 700 A C 2.294 179.870 177.584 -0.013 0.000 1.169 700 A CA 1.784 53.810 52.037 -0.017 0.000 0.635 700 A CB -0.524 18.471 19.000 -0.008 0.000 0.810 700 A HN 0.800 nan 8.150 nan 0.000 0.446 701 G N -0.929 107.863 108.800 -0.014 0.000 2.432 701 G HA2 0.138 4.090 3.960 -0.015 0.000 0.219 701 G HA3 0.138 4.090 3.960 -0.015 0.000 0.219 701 G C 0.686 175.592 174.900 0.010 0.000 1.135 701 G CA 1.082 46.183 45.100 0.001 0.000 0.767 701 G HN 0.325 nan 8.290 nan 0.000 0.550 702 V N 1.879 121.781 119.914 -0.021 0.000 2.716 702 V HA 0.404 4.515 4.120 -0.015 0.000 0.304 702 V C -1.669 174.415 176.094 -0.016 0.000 1.053 702 V CA -1.536 60.753 62.300 -0.020 0.000 0.984 702 V CB 1.982 33.714 31.823 -0.152 0.000 1.021 702 V HN 0.139 nan 8.190 nan 0.000 0.467 703 P HA 0.618 nan 4.420 nan 0.000 0.281 703 P C -0.164 177.128 177.300 -0.013 0.000 1.264 703 P CA 0.135 63.239 63.100 0.006 0.000 0.824 703 P CB 1.268 32.984 31.700 0.027 0.000 1.092 704 G N 0.694 109.487 108.800 -0.012 0.000 2.629 704 G HA2 -0.072 3.879 3.960 -0.015 0.000 0.686 704 G HA3 -0.072 3.879 3.960 -0.015 0.000 0.686 704 G C -0.480 174.405 174.900 -0.026 0.000 1.232 704 G CA -0.257 44.832 45.100 -0.018 0.000 0.803 704 G HN 0.463 nan 8.290 nan 0.000 0.638 705 D N 0.040 120.426 120.400 -0.022 0.000 2.526 705 D HA 0.292 4.924 4.640 -0.015 0.000 0.293 705 D C 1.896 178.181 176.300 -0.024 0.000 1.081 705 D CA 0.916 54.903 54.000 -0.022 0.000 0.924 705 D CB -0.201 40.590 40.800 -0.015 0.000 1.498 705 D HN 1.078 nan 8.370 nan 0.000 0.497 706 S N 0.675 116.363 115.700 -0.020 0.000 2.516 706 S HA 0.496 4.958 4.470 -0.015 0.000 0.282 706 S C 0.989 175.573 174.600 -0.026 0.000 1.286 706 S CA 0.730 58.919 58.200 -0.019 0.000 1.066 706 S CB 0.227 63.420 63.200 -0.013 0.000 0.884 706 S HN 0.442 nan 8.310 nan 0.000 0.491 707 G N 1.900 110.684 108.800 -0.026 0.000 2.526 707 G HA2 0.171 4.122 3.960 -0.015 0.000 0.250 707 G HA3 0.171 4.122 3.960 -0.015 0.000 0.250 707 G C -0.499 174.374 174.900 -0.045 0.000 1.289 707 G CA -0.229 44.851 45.100 -0.033 0.000 0.947 707 G HN 1.603 nan 8.290 nan 0.000 0.517 708 R N -1.663 118.804 120.500 -0.056 0.000 2.817 708 R HA 0.880 5.212 4.340 -0.015 0.000 0.268 708 R C -0.605 175.630 176.300 -0.107 0.000 1.027 708 R CA -1.112 54.944 56.100 -0.074 0.000 0.928 708 R CB 1.770 32.039 30.300 -0.052 0.000 1.228 708 R HN 1.167 nan 8.270 nan 0.000 0.469 709 M N 1.030 120.543 119.600 -0.145 0.000 2.365 709 M HA 0.292 4.764 4.480 -0.015 0.000 0.287 709 M C -1.413 174.754 176.300 -0.221 0.000 1.154 709 M CA -0.734 54.453 55.300 -0.189 0.000 0.941 709 M CB 2.317 34.756 32.600 -0.268 0.000 1.704 709 M HN 0.898 nan 8.290 nan 0.000 0.479 710 C N 5.108 124.290 119.300 -0.196 0.000 2.653 710 C HA 0.491 4.942 4.460 -0.015 0.000 0.421 710 C C -0.183 174.636 174.990 -0.284 0.000 1.334 710 C CA -0.113 58.768 59.018 -0.228 0.000 1.885 710 C CB -0.832 26.821 27.740 -0.145 0.000 2.645 710 C HN 0.756 nan 8.230 nan 0.000 0.601 711 I N 5.739 126.059 120.570 -0.417 0.000 2.436 711 I HA 0.242 4.403 4.170 -0.015 0.000 0.289 711 I C -0.381 175.573 176.117 -0.272 0.000 1.010 711 I CA -0.281 60.798 61.300 -0.369 0.000 1.098 711 I CB 1.342 39.043 38.000 -0.497 0.000 1.266 711 I HN 0.687 nan 8.210 nan 0.000 0.434 712 N N 7.028 125.634 118.700 -0.155 0.000 2.402 712 N HA 0.218 4.949 4.740 -0.015 0.000 0.252 712 N C 0.643 176.109 175.510 -0.072 0.000 1.118 712 N CA 0.062 53.046 53.050 -0.110 0.000 0.945 712 N CB 0.873 39.316 38.487 -0.073 0.000 1.147 712 N HN 0.585 nan 8.380 nan 0.000 0.495 713 M N 1.286 120.849 119.600 -0.061 0.000 2.213 713 M HA -0.044 4.427 4.480 -0.015 0.000 0.263 713 M C -0.003 176.326 176.300 0.047 0.000 1.062 713 M CA 0.887 56.197 55.300 0.017 0.000 1.105 713 M CB -0.145 32.489 32.600 0.058 0.000 1.385 713 M HN 0.426 nan 8.290 nan 0.000 0.417 714 E N 0.182 120.388 120.200 0.009 0.000 2.230 714 E HA -0.218 4.123 4.350 -0.015 0.000 0.206 714 E C 0.007 176.742 176.600 0.226 0.000 1.309 714 E CA 0.740 57.187 56.400 0.079 0.000 0.697 714 E CB -1.518 28.231 29.700 0.082 0.000 1.146 714 E HN 0.805 nan 8.360 nan 0.000 0.363 715 W N -0.611 120.748 121.300 0.098 0.000 2.937 715 W HA 0.302 4.953 4.660 -0.015 0.000 0.245 715 W C 1.468 178.166 176.519 0.298 0.000 1.306 715 W CA 0.416 57.828 57.345 0.111 0.000 1.470 715 W CB -1.079 28.378 29.460 -0.004 0.000 1.132 715 W HN 0.143 nan 8.180 nan 0.000 0.675 716 G N 1.529 110.768 108.800 0.732 0.000 2.442 716 G HA2 -0.162 3.789 3.960 -0.015 0.000 0.219 716 G HA3 -0.162 3.789 3.960 -0.015 0.000 0.219 716 G C 1.620 176.782 174.900 0.438 0.000 1.141 716 G CA 1.626 47.078 45.100 0.587 0.000 0.763 716 G HN 0.465 nan 8.290 nan 0.000 0.554 717 A N -0.255 122.772 122.820 0.345 0.000 2.276 717 A HA 0.465 4.776 4.320 -0.015 0.000 0.212 717 A C 0.573 178.309 177.584 0.254 0.000 1.230 717 A CA -0.690 51.496 52.037 0.247 0.000 0.844 717 A CB -0.445 18.667 19.000 0.186 0.000 0.860 717 A HN 0.256 nan 8.150 nan 0.000 0.486 718 F N 1.064 121.085 119.950 0.118 0.000 2.578 718 F HA 0.388 4.906 4.527 -0.016 0.000 0.376 718 F C 1.337 177.136 175.800 -0.001 0.000 1.085 718 F CA 0.745 58.720 58.000 -0.042 0.000 1.260 718 F CB 0.125 38.893 39.000 -0.388 0.000 1.095 718 F HN 0.390 nan 8.300 nan 0.000 0.573 719 G N 4.221 112.757 108.800 -0.439 0.000 2.184 719 G HA2 -0.349 3.602 3.960 -0.015 0.000 0.264 719 G HA3 -0.349 3.602 3.960 -0.015 0.000 0.264 719 G C 0.843 175.647 174.900 -0.160 0.000 0.975 719 G CA 0.469 45.304 45.100 -0.441 0.000 0.642 719 G HN 0.639 nan 8.290 nan 0.000 0.536 720 D N 1.156 121.526 120.400 -0.051 0.000 2.263 720 D HA 0.031 4.662 4.640 -0.015 0.000 0.208 720 D C 2.038 178.326 176.300 -0.021 0.000 0.971 720 D CA 1.400 55.394 54.000 -0.011 0.000 0.867 720 D CB -0.209 40.613 40.800 0.038 0.000 0.929 720 D HN 0.674 nan 8.370 nan 0.000 0.492 721 D N -0.985 119.397 120.400 -0.030 0.000 2.363 721 D HA 0.061 4.693 4.640 -0.015 0.000 0.226 721 D C 1.516 177.787 176.300 -0.048 0.000 1.020 721 D CA 0.783 54.767 54.000 -0.026 0.000 0.892 721 D CB -0.432 40.361 40.800 -0.013 0.000 0.900 721 D HN 0.178 nan 8.370 nan 0.000 0.531 722 G N 0.109 108.865 108.800 -0.074 0.000 2.141 722 G HA2 -0.340 3.611 3.960 -0.015 0.000 0.242 722 G HA3 -0.340 3.611 3.960 -0.015 0.000 0.242 722 G C 1.072 175.910 174.900 -0.104 0.000 0.982 722 G CA 0.701 45.752 45.100 -0.082 0.000 0.662 722 G HN 0.637 nan 8.290 nan 0.000 0.527 723 S N -0.719 114.898 115.700 -0.137 0.000 2.522 723 S HA 0.263 4.725 4.470 -0.015 0.000 0.227 723 S C 1.551 176.031 174.600 -0.199 0.000 0.986 723 S CA 0.890 59.001 58.200 -0.148 0.000 0.929 723 S CB -0.021 63.094 63.200 -0.142 0.000 0.769 723 S HN 0.539 nan 8.310 nan 0.000 0.529 724 L N 0.976 122.055 121.223 -0.241 0.000 2.984 724 L HA 0.463 4.794 4.340 -0.015 0.000 0.246 724 L C 2.008 178.794 176.870 -0.140 0.000 1.268 724 L CA 0.116 54.825 54.840 -0.218 0.000 1.054 724 L CB -0.285 41.602 42.059 -0.287 0.000 1.393 724 L HN 0.344 nan 8.230 nan 0.000 0.532 725 A N 0.438 123.189 122.820 -0.116 0.000 1.972 725 A HA -0.222 4.090 4.320 -0.015 0.000 0.219 725 A C 2.744 180.274 177.584 -0.090 0.000 1.169 725 A CA 2.162 54.142 52.037 -0.095 0.000 0.635 725 A CB -0.309 18.644 19.000 -0.079 0.000 0.810 725 A HN 0.399 nan 8.150 nan 0.000 0.446 726 M N -0.460 119.089 119.600 -0.085 0.000 2.108 726 M HA -0.060 4.411 4.480 -0.015 0.000 0.257 726 M C 2.330 178.578 176.300 -0.087 0.000 1.071 726 M CA 2.415 57.669 55.300 -0.075 0.000 1.093 726 M CB -1.697 30.864 32.600 -0.065 0.000 1.345 726 M HN 0.471 nan 8.290 nan 0.000 0.403 727 L N -0.504 120.659 121.223 -0.099 0.000 2.168 727 L HA 0.043 4.374 4.340 -0.015 0.000 0.203 727 L C 1.359 178.137 176.870 -0.153 0.000 1.078 727 L CA -0.005 54.764 54.840 -0.118 0.000 0.780 727 L CB -0.636 41.365 42.059 -0.096 0.000 0.939 727 L HN 0.451 nan 8.230 nan 0.000 0.451 728 S N 1.211 116.832 115.700 -0.132 0.000 2.673 728 S HA 0.027 4.488 4.470 -0.015 0.000 0.308 728 S C 0.608 175.116 174.600 -0.155 0.000 1.246 728 S CA 0.012 58.131 58.200 -0.134 0.000 1.077 728 S CB 0.190 63.324 63.200 -0.110 0.000 0.814 728 S HN 0.423 nan 8.310 nan 0.000 0.503 729 T N 0.764 115.215 114.554 -0.171 0.000 2.824 729 T HA 0.319 4.660 4.350 -0.015 0.000 0.277 729 T C 1.415 175.997 174.700 -0.196 0.000 0.975 729 T CA -0.972 61.028 62.100 -0.166 0.000 0.966 729 T CB 0.631 69.457 68.868 -0.070 0.000 1.054 729 T HN 0.678 nan 8.240 nan 0.000 0.533 730 R N -0.297 119.977 120.500 -0.377 0.000 2.152 730 R HA -0.039 4.292 4.340 -0.015 0.000 0.232 730 R C 1.597 177.637 176.300 -0.434 0.000 1.117 730 R CA 1.456 57.273 56.100 -0.473 0.000 0.981 730 R CB -0.878 29.017 30.300 -0.675 0.000 0.870 730 R HN 0.573 nan 8.270 nan 0.000 0.451 731 F N 2.113 122.053 119.950 -0.017 0.000 2.206 731 F HA -0.013 4.505 4.527 -0.015 0.000 0.298 731 F C 2.045 177.829 175.800 -0.028 0.000 1.090 731 F CA 0.860 58.867 58.000 0.012 0.000 1.323 731 F CB -0.452 38.674 39.000 0.211 0.000 1.028 731 F HN -0.060 nan 8.300 nan 0.000 0.492 732 D N 0.614 121.108 120.400 0.156 0.000 2.117 732 D HA -0.167 4.465 4.640 -0.015 0.000 0.197 732 D C 2.399 178.674 176.300 -0.041 0.000 0.987 732 D CA 1.541 55.571 54.000 0.050 0.000 0.829 732 D CB -0.544 40.251 40.800 -0.009 0.000 0.961 732 D HN 0.260 nan 8.370 nan 0.000 0.460 733 A N 1.213 123.981 122.820 -0.087 0.000 1.865 733 A HA -0.208 4.103 4.320 -0.015 0.000 0.217 733 A C 2.579 180.088 177.584 -0.125 0.000 1.191 733 A CA 3.097 55.069 52.037 -0.107 0.000 0.623 733 A CB -1.149 17.775 19.000 -0.127 0.000 0.826 733 A HN 0.318 nan 8.150 nan 0.000 0.444 734 S N -0.490 115.091 115.700 -0.198 0.000 2.365 734 S HA -0.103 4.358 4.470 -0.015 0.000 0.225 734 S C 2.031 176.467 174.600 -0.274 0.000 1.039 734 S CA 2.111 60.124 58.200 -0.311 0.000 1.033 734 S CB -0.944 61.896 63.200 -0.600 0.000 0.887 734 S HN 0.346 nan 8.310 nan 0.000 0.447 735 V N 1.876 121.659 119.914 -0.219 0.000 2.261 735 V HA -0.218 3.893 4.120 -0.015 0.000 0.246 735 V C 2.370 178.478 176.094 0.024 0.000 1.047 735 V CA 2.266 64.584 62.300 0.031 0.000 1.015 735 V CB -0.796 31.103 31.823 0.125 0.000 0.642 735 V HN 0.706 nan 8.190 nan 0.000 0.446 736 D N -0.267 120.109 120.400 -0.039 0.000 2.092 736 D HA -0.228 4.403 4.640 -0.015 0.000 0.193 736 D C 2.257 178.548 176.300 -0.014 0.000 0.994 736 D CA 1.767 55.736 54.000 -0.052 0.000 0.828 736 D CB -0.178 40.580 40.800 -0.069 0.000 0.963 736 D HN 0.503 nan 8.370 nan 0.000 0.450 737 Q N -0.530 119.258 119.800 -0.020 0.000 2.181 737 Q HA -0.045 4.286 4.340 -0.015 0.000 0.205 737 Q C 1.891 177.906 176.000 0.025 0.000 0.980 737 Q CA 1.428 57.229 55.803 -0.004 0.000 0.862 737 Q CB -0.160 28.566 28.738 -0.019 0.000 0.905 737 Q HN 0.352 nan 8.270 nan 0.000 0.429 738 A N 0.759 123.605 122.820 0.044 0.000 2.238 738 A HA 0.057 4.368 4.320 -0.015 0.000 0.208 738 A C 0.889 178.531 177.584 0.097 0.000 1.177 738 A CA 0.199 52.285 52.037 0.082 0.000 0.804 738 A CB -0.074 19.007 19.000 0.136 0.000 0.823 738 A HN 0.322 nan 8.150 nan 0.000 0.482 739 S N -1.311 114.445 115.700 0.093 0.000 2.687 739 S HA 0.547 5.008 4.470 -0.015 0.000 0.283 739 S C 1.071 175.733 174.600 0.103 0.000 1.170 739 S CA -0.537 57.739 58.200 0.127 0.000 1.008 739 S CB 0.648 63.933 63.200 0.142 0.000 1.026 739 S HN 0.190 nan 8.310 nan 0.000 0.541 740 I N 1.042 121.685 120.570 0.122 0.000 2.194 740 I HA -0.212 3.949 4.170 -0.015 0.000 0.246 740 I C 0.675 176.854 176.117 0.104 0.000 1.093 740 I CA 1.375 62.736 61.300 0.102 0.000 1.355 740 I CB -0.479 37.592 38.000 0.117 0.000 1.046 740 I HN 0.778 nan 8.210 nan 0.000 0.413 741 N N 0.452 119.225 118.700 0.121 0.000 2.918 741 N HA 0.279 5.010 4.740 -0.015 0.000 0.270 741 N C -2.832 172.719 175.510 0.069 0.000 1.536 741 N CA -2.093 51.022 53.050 0.108 0.000 0.877 741 N CB 0.129 38.706 38.487 0.150 0.000 1.190 741 N HN -0.045 nan 8.380 nan 0.000 0.492 742 P HA 0.177 nan 4.420 nan 0.000 0.268 742 P C 1.159 178.471 177.300 0.019 0.000 1.204 742 P CA 0.909 64.024 63.100 0.024 0.000 0.768 742 P CB 0.649 32.362 31.700 0.022 0.000 0.842 743 G N 1.157 109.957 108.800 -0.000 0.000 2.267 743 G HA2 -0.251 3.700 3.960 -0.015 0.000 0.257 743 G HA3 -0.251 3.700 3.960 -0.015 0.000 0.257 743 G C 0.203 175.110 174.900 0.012 0.000 0.998 743 G CA 0.250 45.349 45.100 -0.001 0.000 0.620 743 G HN 0.524 nan 8.290 nan 0.000 0.529 744 K N 0.615 121.032 120.400 0.028 0.000 2.098 744 K HA 0.669 4.980 4.320 -0.015 0.000 0.258 744 K C 0.931 177.561 176.600 0.049 0.000 0.973 744 K CA -0.488 55.833 56.287 0.056 0.000 0.898 744 K CB 0.650 33.203 32.500 0.090 0.000 1.057 744 K HN 0.220 nan 8.250 nan 0.000 0.447 745 Q N 1.218 121.074 119.800 0.093 0.000 2.451 745 Q HA -0.304 4.027 4.340 -0.015 0.000 0.305 745 Q C 0.320 176.350 176.000 0.049 0.000 1.345 745 Q CA 0.629 56.503 55.803 0.118 0.000 0.854 745 Q CB -1.416 27.409 28.738 0.145 0.000 1.162 745 Q HN 0.618 nan 8.270 nan 0.000 0.440 746 R N -0.614 119.915 120.500 0.048 0.000 2.073 746 R HA -0.102 4.230 4.340 -0.015 0.000 0.234 746 R C 1.944 178.272 176.300 0.048 0.000 1.134 746 R CA 1.547 57.647 56.100 -0.001 0.000 0.952 746 R CB -0.299 29.991 30.300 -0.018 0.000 0.850 746 R HN 0.303 nan 8.270 nan 0.000 0.433 747 F N 2.146 122.084 119.950 -0.021 0.000 2.171 747 F HA -0.168 4.350 4.527 -0.015 0.000 0.300 747 F C 2.342 178.178 175.800 0.061 0.000 1.090 747 F CA 1.563 59.569 58.000 0.010 0.000 1.293 747 F CB -0.139 38.925 39.000 0.106 0.000 1.013 747 F HN 0.017 nan 8.300 nan 0.000 0.486 748 E N 0.244 120.541 120.200 0.162 0.000 2.110 748 E HA -0.235 4.106 4.350 -0.015 0.000 0.193 748 E C 1.872 178.517 176.600 0.076 0.000 0.988 748 E CA 1.248 57.740 56.400 0.153 0.000 0.804 748 E CB -0.102 29.763 29.700 0.275 0.000 0.745 748 E HN 0.389 nan 8.360 nan 0.000 0.458 749 K N -0.436 119.898 120.400 -0.109 0.000 2.504 749 K HA 0.004 4.315 4.320 -0.015 0.000 0.195 749 K C 1.408 177.990 176.600 -0.030 0.000 1.036 749 K CA 0.631 56.761 56.287 -0.263 0.000 0.984 749 K CB 0.154 32.353 32.500 -0.501 0.000 0.788 749 K HN 0.263 nan 8.250 nan 0.000 0.488 750 M N -0.471 119.090 119.600 -0.065 0.000 2.371 750 M HA 0.182 4.653 4.480 -0.015 0.000 0.246 750 M C 1.108 177.384 176.300 -0.039 0.000 1.103 750 M CA 0.472 55.742 55.300 -0.050 0.000 1.010 750 M CB 0.578 33.089 32.600 -0.148 0.000 1.457 750 M HN 0.081 nan 8.290 nan 0.000 0.486 751 I N -1.942 118.620 120.570 -0.014 0.000 4.193 751 I HA 0.071 4.232 4.170 -0.015 0.000 0.287 751 I C 1.051 177.241 176.117 0.122 0.000 1.175 751 I CA -0.016 61.309 61.300 0.042 0.000 1.320 751 I CB 0.494 38.447 38.000 -0.079 0.000 1.523 751 I HN 0.078 nan 8.210 nan 0.000 0.450 752 S N 0.993 116.786 115.700 0.156 0.000 2.632 752 S HA 0.306 4.767 4.470 -0.015 0.000 0.267 752 S C 1.268 175.915 174.600 0.080 0.000 1.276 752 S CA 0.103 58.375 58.200 0.120 0.000 0.998 752 S CB 1.386 64.692 63.200 0.176 0.000 0.953 752 S HN 0.335 nan 8.310 nan 0.000 0.547 753 G N 0.809 109.608 108.800 -0.001 0.000 2.450 753 G HA2 -0.237 3.715 3.960 -0.015 0.000 0.220 753 G HA3 -0.237 3.715 3.960 -0.015 0.000 0.220 753 G C 1.240 176.119 174.900 -0.036 0.000 1.130 753 G CA 0.979 46.073 45.100 -0.009 0.000 0.760 753 G HN 0.769 nan 8.290 nan 0.000 0.557 754 M N -1.053 118.452 119.600 -0.159 0.000 2.213 754 M HA -0.031 4.441 4.480 -0.015 0.000 0.263 754 M C 1.838 177.917 176.300 -0.367 0.000 1.062 754 M CA 1.435 56.511 55.300 -0.374 0.000 1.105 754 M CB 0.060 32.210 32.600 -0.749 0.000 1.385 754 M HN 0.371 nan 8.290 nan 0.000 0.417 755 Y N -1.151 119.205 120.300 0.094 0.000 2.558 755 Y HA 0.174 4.715 4.550 -0.016 0.000 0.273 755 Y C 1.817 177.795 175.900 0.130 0.000 1.100 755 Y CA 0.031 58.197 58.100 0.110 0.000 1.276 755 Y CB -0.382 38.140 38.460 0.103 0.000 1.196 755 Y HN 0.044 nan 8.280 nan 0.000 0.527 756 L N -0.316 121.056 121.223 0.249 0.000 1.990 756 L HA -0.210 4.122 4.340 -0.015 0.000 0.213 756 L C 2.609 179.609 176.870 0.216 0.000 1.072 756 L CA 1.778 56.743 54.840 0.210 0.000 0.755 756 L CB -1.197 40.956 42.059 0.155 0.000 0.889 756 L HN 0.396 nan 8.230 nan 0.000 0.432 757 G N -0.606 108.329 108.800 0.224 0.000 2.507 757 G HA2 -0.260 3.691 3.960 -0.015 0.000 0.221 757 G HA3 -0.260 3.691 3.960 -0.015 0.000 0.221 757 G C 1.492 176.581 174.900 0.314 0.000 1.119 757 G CA 0.625 45.907 45.100 0.303 0.000 0.751 757 G HN 0.340 nan 8.290 nan 0.000 0.574 758 E N 0.255 120.600 120.200 0.242 0.000 2.112 758 E HA 0.010 4.351 4.350 -0.015 0.000 0.190 758 E C 2.699 179.489 176.600 0.317 0.000 0.979 758 E CA 0.218 56.755 56.400 0.228 0.000 0.814 758 E CB -0.138 29.720 29.700 0.263 0.000 0.762 758 E HN 0.534 nan 8.360 nan 0.000 0.460 759 I N 0.877 121.634 120.570 0.312 0.000 2.208 759 I HA -0.267 3.894 4.170 -0.015 0.000 0.245 759 I C 2.448 178.654 176.117 0.148 0.000 1.097 759 I CA 0.878 62.357 61.300 0.298 0.000 1.363 759 I CB -0.504 37.664 38.000 0.280 0.000 1.051 759 I HN -0.064 nan 8.210 nan 0.000 0.413 760 V N 0.844 120.825 119.914 0.111 0.000 2.261 760 V HA -0.306 3.805 4.120 -0.015 0.000 0.246 760 V C 2.684 178.847 176.094 0.116 0.000 1.047 760 V CA 2.115 64.428 62.300 0.022 0.000 1.015 760 V CB -0.791 31.047 31.823 0.023 0.000 0.642 760 V HN 0.407 nan 8.190 nan 0.000 0.446 761 R N -1.008 119.654 120.500 0.270 0.000 2.096 761 R HA -0.205 4.127 4.340 -0.015 0.000 0.240 761 R C 2.437 178.760 176.300 0.038 0.000 1.139 761 R CA 1.918 58.133 56.100 0.191 0.000 0.952 761 R CB -0.351 29.918 30.300 -0.052 0.000 0.854 761 R HN 0.623 nan 8.270 nan 0.000 0.436 762 H N -0.016 119.138 119.070 0.139 0.000 2.389 762 H HA -0.100 4.447 4.556 -0.015 0.000 0.299 762 H C 2.261 177.678 175.328 0.147 0.000 1.081 762 H CA 1.739 57.909 56.048 0.204 0.000 1.345 762 H CB -0.138 29.825 29.762 0.335 0.000 1.393 762 H HN 0.270 nan 8.280 nan 0.000 0.520 763 I N 0.794 121.295 120.570 -0.116 0.000 2.127 763 I HA -0.298 3.863 4.170 -0.015 0.000 0.241 763 I C 2.525 178.619 176.117 -0.039 0.000 1.075 763 I CA 1.048 62.042 61.300 -0.510 0.000 1.334 763 I CB -0.327 37.241 38.000 -0.720 0.000 1.040 763 I HN 0.112 nan 8.210 nan 0.000 0.405 764 L N 0.033 121.274 121.223 0.031 0.000 2.042 764 L HA -0.252 4.080 4.340 -0.015 0.000 0.210 764 L C 2.574 179.543 176.870 0.165 0.000 1.076 764 L CA 1.416 56.335 54.840 0.133 0.000 0.749 764 L CB -0.656 41.527 42.059 0.207 0.000 0.893 764 L HN 0.289 nan 8.230 nan 0.000 0.432 765 L N -0.970 120.345 121.223 0.152 0.000 2.017 765 L HA -0.274 4.057 4.340 -0.015 0.000 0.208 765 L C 2.724 179.720 176.870 0.210 0.000 1.073 765 L CA 1.431 56.358 54.840 0.145 0.000 0.745 765 L CB -0.678 41.467 42.059 0.142 0.000 0.894 765 L HN 0.303 nan 8.230 nan 0.000 0.432 766 H N 0.143 119.346 119.070 0.221 0.000 2.321 766 H HA -0.163 4.384 4.556 -0.014 0.000 0.300 766 H C 2.148 177.585 175.328 0.181 0.000 1.087 766 H CA 1.751 57.952 56.048 0.255 0.000 1.319 766 H CB -0.105 29.948 29.762 0.485 0.000 1.379 766 H HN 0.145 nan 8.280 nan 0.000 0.501 767 L N -0.106 121.186 121.223 0.115 0.000 2.046 767 L HA -0.188 4.143 4.340 -0.015 0.000 0.208 767 L C 2.795 179.687 176.870 0.038 0.000 1.077 767 L CA 1.821 56.683 54.840 0.036 0.000 0.747 767 L CB -0.857 41.253 42.059 0.084 0.000 0.896 767 L HN 0.549 nan 8.230 nan 0.000 0.432 768 T N -3.064 111.555 114.554 0.109 0.000 2.746 768 T HA -0.199 4.142 4.350 -0.015 0.000 0.267 768 T C 2.039 176.769 174.700 0.050 0.000 1.039 768 T CA 1.437 63.616 62.100 0.132 0.000 1.142 768 T CB -0.701 68.244 68.868 0.129 0.000 0.866 768 T HN 0.457 nan 8.240 nan 0.000 0.444 769 S N 1.914 117.621 115.700 0.012 0.000 2.423 769 S HA 0.086 4.547 4.470 -0.015 0.000 0.231 769 S C 2.019 176.589 174.600 -0.050 0.000 1.014 769 S CA 0.656 58.849 58.200 -0.012 0.000 0.965 769 S CB -0.919 62.284 63.200 0.004 0.000 0.785 769 S HN 0.550 nan 8.310 nan 0.000 0.495 770 L N 0.832 121.989 121.223 -0.110 0.000 2.478 770 L HA 0.246 4.577 4.340 -0.015 0.000 0.223 770 L C 2.081 178.933 176.870 -0.032 0.000 1.140 770 L CA 0.528 55.309 54.840 -0.099 0.000 0.842 770 L CB -0.804 41.159 42.059 -0.161 0.000 0.953 770 L HN 0.641 nan 8.230 nan 0.000 0.452 771 G N -0.769 108.028 108.800 -0.005 0.000 2.175 771 G HA2 -0.283 3.668 3.960 -0.015 0.000 0.244 771 G HA3 -0.283 3.668 3.960 -0.015 0.000 0.244 771 G C 0.787 175.699 174.900 0.020 0.000 0.982 771 G CA 0.400 45.510 45.100 0.017 0.000 0.641 771 G HN 0.108 nan 8.290 nan 0.000 0.527 772 V N -0.266 119.656 119.914 0.013 0.000 2.270 772 V HA 0.193 4.304 4.120 -0.015 0.000 0.245 772 V C 1.553 177.648 176.094 0.002 0.000 1.043 772 V CA 1.981 64.285 62.300 0.006 0.000 1.014 772 V CB -0.264 31.563 31.823 0.006 0.000 0.645 772 V HN 0.387 nan 8.190 nan 0.000 0.447 773 L N -1.314 119.933 121.223 0.041 0.000 2.334 773 L HA 0.506 4.837 4.340 -0.015 0.000 0.275 773 L C -0.075 176.890 176.870 0.159 0.000 1.036 773 L CA -0.297 54.551 54.840 0.013 0.000 0.807 773 L CB 0.759 42.876 42.059 0.097 0.000 1.231 773 L HN 0.321 nan 8.230 nan 0.000 0.438 774 F N 1.668 121.619 119.950 0.002 0.000 3.048 774 F HA -0.304 4.214 4.527 -0.015 0.000 0.287 774 F C 1.515 177.316 175.800 0.001 0.000 0.796 774 F CA 1.355 59.357 58.000 0.004 0.000 1.111 774 F CB -2.206 36.798 39.000 0.007 0.000 1.320 774 F HN 0.759 nan 8.300 nan 0.000 0.430 775 R N -1.898 118.663 120.500 0.103 0.000 3.758 775 R HA 0.069 4.400 4.340 -0.015 0.000 0.299 775 R C 2.538 178.884 176.300 0.077 0.000 1.182 775 R CA 2.187 58.328 56.100 0.067 0.000 0.809 775 R CB -2.687 27.643 30.300 0.051 0.000 1.249 775 R HN 2.392 nan 8.270 nan 0.000 0.497 776 G N -4.447 104.413 108.800 0.102 0.000 2.363 776 G HA2 0.128 4.080 3.960 -0.015 0.000 0.238 776 G HA3 0.128 4.080 3.960 -0.015 0.000 0.238 776 G C 1.021 175.961 174.900 0.067 0.000 1.062 776 G CA 1.406 46.550 45.100 0.072 0.000 0.629 776 G HN 2.545 nan 8.290 nan 0.000 0.514 777 Q N 0.408 120.257 119.800 0.082 0.000 2.310 777 Q HA 0.423 4.754 4.340 -0.015 0.000 0.315 777 Q C 0.418 176.411 176.000 -0.011 0.000 1.081 777 Q CA 1.456 57.288 55.803 0.048 0.000 0.981 777 Q CB -0.184 28.598 28.738 0.074 0.000 1.184 777 Q HN 1.294 nan 8.270 nan 0.000 0.389 778 Q N 0.061 119.836 119.800 -0.042 0.000 2.361 778 Q HA 0.519 4.850 4.340 -0.015 0.000 0.250 778 Q C 0.379 176.296 176.000 -0.138 0.000 1.023 778 Q CA 0.378 56.127 55.803 -0.090 0.000 0.915 778 Q CB 0.321 29.026 28.738 -0.056 0.000 1.238 778 Q HN 1.320 nan 8.270 nan 0.000 0.451 779 I N 2.219 122.637 120.570 -0.254 0.000 2.260 779 I HA 0.200 4.361 4.170 -0.015 0.000 0.297 779 I C 1.453 177.436 176.117 -0.223 0.000 1.143 779 I CA 0.036 61.152 61.300 -0.307 0.000 1.271 779 I CB -0.119 37.499 38.000 -0.637 0.000 1.461 779 I HN 0.915 nan 8.210 nan 0.000 0.530 780 Q N 2.246 121.958 119.800 -0.147 0.000 2.135 780 Q HA -0.266 4.065 4.340 -0.015 0.000 0.204 780 Q C 2.301 178.222 176.000 -0.131 0.000 0.981 780 Q CA 2.316 58.050 55.803 -0.115 0.000 0.856 780 Q CB 0.052 28.739 28.738 -0.084 0.000 0.902 780 Q HN 0.828 nan 8.270 nan 0.000 0.425 781 R N 0.331 120.746 120.500 -0.141 0.000 2.154 781 R HA -0.171 4.160 4.340 -0.015 0.000 0.248 781 R C 1.838 178.020 176.300 -0.197 0.000 1.155 781 R CA 1.201 57.210 56.100 -0.153 0.000 0.979 781 R CB -0.728 29.490 30.300 -0.136 0.000 0.869 781 R HN 0.368 nan 8.270 nan 0.000 0.452 782 L N 0.359 121.455 121.223 -0.211 0.000 2.275 782 L HA -0.062 4.269 4.340 -0.015 0.000 0.215 782 L C 1.728 178.481 176.870 -0.196 0.000 1.119 782 L CA 1.550 56.260 54.840 -0.217 0.000 0.790 782 L CB -0.252 41.678 42.059 -0.214 0.000 0.919 782 L HN 0.232 nan 8.230 nan 0.000 0.443 783 Q N -0.962 118.743 119.800 -0.158 0.000 2.297 783 Q HA 0.015 4.347 4.340 -0.015 0.000 0.204 783 Q C 0.468 176.385 176.000 -0.139 0.000 0.962 783 Q CA 0.462 56.190 55.803 -0.126 0.000 0.879 783 Q CB -0.518 28.169 28.738 -0.086 0.000 0.947 783 Q HN 0.405 nan 8.270 nan 0.000 0.462 784 T N 2.455 116.909 114.554 -0.166 0.000 2.853 784 T HA 0.121 4.462 4.350 -0.015 0.000 0.298 784 T C 0.391 174.972 174.700 -0.199 0.000 0.978 784 T CA 0.021 62.022 62.100 -0.165 0.000 1.152 784 T CB 0.535 69.297 68.868 -0.176 0.000 0.914 784 T HN 0.078 nan 8.240 nan 0.000 0.539 785 R N 2.658 123.071 120.500 -0.145 0.000 2.594 785 R HA 0.088 4.419 4.340 -0.015 0.000 0.272 785 R C 0.224 176.432 176.300 -0.152 0.000 1.074 785 R CA -0.296 55.725 56.100 -0.131 0.000 1.105 785 R CB 0.251 30.513 30.300 -0.063 0.000 1.008 785 R HN 0.692 nan 8.270 nan 0.000 0.472 786 D N 1.632 121.943 120.400 -0.149 0.000 2.723 786 D HA -0.176 4.455 4.640 -0.015 0.000 0.236 786 D C 0.994 177.176 176.300 -0.197 0.000 1.138 786 D CA 1.137 55.058 54.000 -0.130 0.000 0.676 786 D CB -0.895 39.858 40.800 -0.078 0.000 1.069 786 D HN 0.634 nan 8.370 nan 0.000 0.430 787 I N -4.359 115.989 120.570 -0.370 0.000 2.584 787 I HA -0.035 4.126 4.170 -0.015 0.000 0.255 787 I C 0.690 176.536 176.117 -0.453 0.000 1.145 787 I CA 0.655 61.670 61.300 -0.474 0.000 1.462 787 I CB -0.149 37.443 38.000 -0.679 0.000 1.102 787 I HN -0.199 nan 8.210 nan 0.000 0.433 788 F N 4.115 123.929 119.950 -0.226 0.000 2.451 788 F HA 0.484 5.002 4.527 -0.015 0.000 0.356 788 F C 0.479 176.291 175.800 0.020 0.000 1.178 788 F CA -1.095 56.771 58.000 -0.222 0.000 1.210 788 F CB -0.127 38.815 39.000 -0.096 0.000 1.504 788 F HN -0.077 nan 8.300 nan 0.000 0.598 789 K N 0.557 121.089 120.400 0.221 0.000 2.090 789 K HA 0.306 4.617 4.320 -0.015 0.000 0.249 789 K C 1.263 178.012 176.600 0.249 0.000 0.995 789 K CA -0.504 55.893 56.287 0.183 0.000 0.914 789 K CB 0.988 33.551 32.500 0.106 0.000 1.057 789 K HN 0.350 nan 8.250 nan 0.000 0.462 790 T N 1.636 116.280 114.554 0.150 0.000 2.635 790 T HA -0.264 4.078 4.350 -0.015 0.000 0.267 790 T C 2.300 177.071 174.700 0.119 0.000 1.040 790 T CA 2.422 64.596 62.100 0.123 0.000 1.156 790 T CB -0.370 68.536 68.868 0.063 0.000 0.863 790 T HN 0.746 nan 8.240 nan 0.000 0.430 791 K N 1.027 121.492 120.400 0.109 0.000 2.074 791 K HA -0.153 4.158 4.320 -0.015 0.000 0.209 791 K C 1.897 178.561 176.600 0.106 0.000 1.048 791 K CA 2.118 58.457 56.287 0.087 0.000 0.926 791 K CB -1.549 31.002 32.500 0.085 0.000 0.713 791 K HN 0.563 nan 8.250 nan 0.000 0.444 792 F N 0.803 120.776 119.950 0.039 0.000 2.098 792 F HA 0.046 4.565 4.527 -0.015 0.000 0.294 792 F C 2.090 177.899 175.800 0.016 0.000 1.107 792 F CA 1.372 59.398 58.000 0.042 0.000 1.234 792 F CB -0.111 38.949 39.000 0.100 0.000 1.002 792 F HN 0.076 nan 8.300 nan 0.000 0.472 793 L N -0.101 121.149 121.223 0.044 0.000 2.129 793 L HA -0.258 4.073 4.340 -0.015 0.000 0.212 793 L C 2.457 179.206 176.870 -0.202 0.000 1.087 793 L CA 1.506 56.287 54.840 -0.099 0.000 0.757 793 L CB -0.916 41.250 42.059 0.177 0.000 0.896 793 L HN 0.202 nan 8.230 nan 0.000 0.434 794 S N -0.742 114.871 115.700 -0.144 0.000 2.387 794 S HA -0.132 4.329 4.470 -0.015 0.000 0.226 794 S C 1.806 176.223 174.600 -0.304 0.000 1.026 794 S CA 0.921 58.967 58.200 -0.258 0.000 0.972 794 S CB -0.033 63.100 63.200 -0.112 0.000 0.814 794 S HN 0.454 nan 8.310 nan 0.000 0.477 795 E N 0.887 120.922 120.200 -0.276 0.000 2.072 795 E HA -0.075 4.266 4.350 -0.015 0.000 0.190 795 E C 2.499 178.896 176.600 -0.338 0.000 0.982 795 E CA 1.275 57.521 56.400 -0.257 0.000 0.803 795 E CB -0.528 29.066 29.700 -0.178 0.000 0.755 795 E HN 0.566 nan 8.360 nan 0.000 0.453 796 I N 1.421 121.656 120.570 -0.559 0.000 2.194 796 I HA -0.250 3.912 4.170 -0.015 0.000 0.246 796 I C 1.954 177.875 176.117 -0.328 0.000 1.093 796 I CA 2.125 63.108 61.300 -0.528 0.000 1.355 796 I CB -0.938 36.567 38.000 -0.825 0.000 1.046 796 I HN 0.097 nan 8.210 nan 0.000 0.413 797 E N 0.621 120.623 120.200 -0.329 0.000 2.478 797 E HA 0.088 4.429 4.350 -0.015 0.000 0.194 797 E C 1.233 177.703 176.600 -0.218 0.000 1.045 797 E CA 0.530 56.779 56.400 -0.252 0.000 0.868 797 E CB 0.051 29.588 29.700 -0.271 0.000 0.885 797 E HN 0.687 nan 8.360 nan 0.000 0.505 798 S N 2.272 117.842 115.700 -0.217 0.000 2.575 798 S HA -0.075 4.386 4.470 -0.015 0.000 0.295 798 S C 0.861 175.389 174.600 -0.119 0.000 1.267 798 S CA -0.177 57.927 58.200 -0.160 0.000 1.074 798 S CB 0.523 63.639 63.200 -0.140 0.000 0.829 798 S HN 0.234 nan 8.310 nan 0.000 0.497 799 D N 3.384 123.726 120.400 -0.096 0.000 2.348 799 D HA -0.102 4.529 4.640 -0.015 0.000 0.216 799 D C 1.624 177.887 176.300 -0.061 0.000 0.970 799 D CA 1.147 55.103 54.000 -0.073 0.000 0.889 799 D CB -0.499 40.265 40.800 -0.060 0.000 0.912 799 D HN 0.507 nan 8.370 nan 0.000 0.524 800 S N -0.584 115.078 115.700 -0.063 0.000 2.607 800 S HA 0.070 4.531 4.470 -0.015 0.000 0.224 800 S C 0.829 175.399 174.600 -0.051 0.000 0.969 800 S CA -0.451 57.719 58.200 -0.051 0.000 0.927 800 S CB -0.552 62.619 63.200 -0.048 0.000 0.772 800 S HN 0.229 nan 8.310 nan 0.000 0.533 801 L N 1.918 123.104 121.223 -0.062 0.000 2.312 801 L HA 0.651 4.982 4.340 -0.015 0.000 0.281 801 L C 0.552 177.392 176.870 -0.050 0.000 1.070 801 L CA -0.704 54.101 54.840 -0.058 0.000 0.805 801 L CB 1.264 43.278 42.059 -0.076 0.000 1.174 801 L HN 0.263 nan 8.230 nan 0.000 0.434 802 A N 2.153 124.950 122.820 -0.039 0.000 2.264 802 A HA 0.328 4.640 4.320 -0.015 0.000 0.304 802 A C 0.601 178.164 177.584 -0.035 0.000 1.100 802 A CA -0.537 51.479 52.037 -0.034 0.000 0.839 802 A CB 0.811 19.796 19.000 -0.027 0.000 1.121 802 A HN 0.729 nan 8.150 nan 0.000 0.496 803 L N 1.279 122.482 121.223 -0.033 0.000 2.042 803 L HA -0.149 4.182 4.340 -0.015 0.000 0.210 803 L C 3.028 179.883 176.870 -0.025 0.000 1.076 803 L CA 3.032 57.852 54.840 -0.033 0.000 0.749 803 L CB -0.896 41.143 42.059 -0.034 0.000 0.893 803 L HN 0.913 nan 8.230 nan 0.000 0.432 804 R N -0.589 119.899 120.500 -0.020 0.000 2.105 804 R HA -0.202 4.129 4.340 -0.015 0.000 0.239 804 R C 2.061 178.356 176.300 -0.007 0.000 1.135 804 R CA 2.082 58.175 56.100 -0.012 0.000 0.967 804 R CB -1.475 28.819 30.300 -0.010 0.000 0.861 804 R HN 0.722 nan 8.270 nan 0.000 0.442 805 Q N -0.309 119.483 119.800 -0.013 0.000 2.123 805 Q HA 0.017 4.348 4.340 -0.015 0.000 0.199 805 Q C 2.347 178.342 176.000 -0.009 0.000 0.966 805 Q CA 1.198 56.994 55.803 -0.011 0.000 0.845 805 Q CB -0.032 28.694 28.738 -0.021 0.000 0.907 805 Q HN 0.405 nan 8.270 nan 0.000 0.439 806 V N 1.150 121.051 119.914 -0.021 0.000 2.295 806 V HA -0.285 3.827 4.120 -0.015 0.000 0.246 806 V C 2.168 178.274 176.094 0.019 0.000 1.049 806 V CA 1.873 64.161 62.300 -0.020 0.000 1.024 806 V CB -0.392 31.405 31.823 -0.044 0.000 0.648 806 V HN 0.303 nan 8.190 nan 0.000 0.447 807 R N -0.109 120.398 120.500 0.012 0.000 2.096 807 R HA -0.099 4.233 4.340 -0.015 0.000 0.235 807 R C 2.422 178.749 176.300 0.046 0.000 1.127 807 R CA 1.340 57.456 56.100 0.027 0.000 0.968 807 R CB -0.602 29.703 30.300 0.008 0.000 0.861 807 R HN 0.543 nan 8.270 nan 0.000 0.440 808 A N 1.668 124.509 122.820 0.035 0.000 1.865 808 A HA -0.191 4.121 4.320 -0.015 0.000 0.217 808 A C 2.178 179.802 177.584 0.066 0.000 1.191 808 A CA 1.449 53.510 52.037 0.040 0.000 0.623 808 A CB -0.634 18.382 19.000 0.026 0.000 0.826 808 A HN 0.189 nan 8.150 nan 0.000 0.444 809 I N -0.466 120.153 120.570 0.082 0.000 2.151 809 I HA -0.307 3.854 4.170 -0.015 0.000 0.243 809 I C 2.401 178.635 176.117 0.195 0.000 1.080 809 I CA 1.451 62.837 61.300 0.143 0.000 1.339 809 I CB -0.376 37.723 38.000 0.165 0.000 1.039 809 I HN 0.304 nan 8.210 nan 0.000 0.409 810 L N 0.034 121.373 121.223 0.193 0.000 2.109 810 L HA -0.155 4.177 4.340 -0.015 0.000 0.207 810 L C 2.323 179.268 176.870 0.125 0.000 1.086 810 L CA 1.183 56.137 54.840 0.190 0.000 0.760 810 L CB -0.486 41.690 42.059 0.195 0.000 0.910 810 L HN 0.204 nan 8.230 nan 0.000 0.437 811 E N -0.294 119.964 120.200 0.097 0.000 2.338 811 E HA -0.227 4.114 4.350 -0.015 0.000 0.197 811 E C 1.194 177.828 176.600 0.056 0.000 1.007 811 E CA 0.937 57.379 56.400 0.070 0.000 0.849 811 E CB 0.024 29.756 29.700 0.054 0.000 0.774 811 E HN 0.339 nan 8.360 nan 0.000 0.506 812 D N -0.443 119.996 120.400 0.066 0.000 2.354 812 D HA 0.049 4.680 4.640 -0.015 0.000 0.209 812 D C 0.983 177.308 176.300 0.042 0.000 1.015 812 D CA 0.369 54.401 54.000 0.053 0.000 0.867 812 D CB 0.378 41.217 40.800 0.065 0.000 0.933 812 D HN 0.083 nan 8.370 nan 0.000 0.520 813 L N -1.038 120.211 121.223 0.043 0.000 2.667 813 L HA 0.314 4.646 4.340 -0.015 0.000 0.232 813 L C 1.148 178.003 176.870 -0.025 0.000 1.138 813 L CA 0.214 55.049 54.840 -0.009 0.000 0.921 813 L CB 0.376 42.407 42.059 -0.046 0.000 1.180 813 L HN 0.151 nan 8.230 nan 0.000 0.487 814 G N 0.989 109.792 108.800 0.004 0.000 2.147 814 G HA2 -0.275 3.676 3.960 -0.015 0.000 0.244 814 G HA3 -0.275 3.676 3.960 -0.015 0.000 0.244 814 G C 0.086 174.994 174.900 0.014 0.000 1.005 814 G CA -0.121 44.977 45.100 -0.004 0.000 0.713 814 G HN 0.279 nan 8.290 nan 0.000 0.515 815 L N 0.738 122.001 121.223 0.067 0.000 2.556 815 L HA 0.299 4.630 4.340 -0.015 0.000 0.243 815 L C -2.319 174.664 176.870 0.189 0.000 1.331 815 L CA -1.903 53.024 54.840 0.145 0.000 0.927 815 L CB 1.694 43.880 42.059 0.211 0.000 1.219 815 L HN -0.106 nan 8.230 nan 0.000 0.490 816 P HA 0.192 nan 4.420 nan 0.000 0.268 816 P C -0.696 176.700 177.300 0.160 0.000 1.204 816 P CA 0.354 63.531 63.100 0.129 0.000 0.768 816 P CB 0.850 32.607 31.700 0.094 0.000 0.842 817 L N 1.623 122.890 121.223 0.072 0.000 2.350 817 L HA 0.546 4.877 4.340 -0.015 0.000 0.260 817 L C 0.753 177.596 176.870 -0.045 0.000 1.015 817 L CA -0.835 53.991 54.840 -0.025 0.000 0.821 817 L CB 2.355 44.375 42.059 -0.064 0.000 1.370 817 L HN 0.302 nan 8.230 nan 0.000 0.416 818 T N -2.574 111.922 114.554 -0.097 0.000 2.847 818 T HA 0.232 4.573 4.350 -0.015 0.000 0.279 818 T C 1.051 175.701 174.700 -0.083 0.000 0.984 818 T CA -0.547 61.509 62.100 -0.073 0.000 0.988 818 T CB 1.469 70.293 68.868 -0.073 0.000 1.040 818 T HN 0.525 nan 8.240 nan 0.000 0.528 819 S N 0.943 116.607 115.700 -0.061 0.000 2.365 819 S HA -0.171 4.290 4.470 -0.015 0.000 0.221 819 S C 1.792 176.346 174.600 -0.076 0.000 1.037 819 S CA 1.572 59.737 58.200 -0.058 0.000 1.060 819 S CB -0.726 62.448 63.200 -0.043 0.000 0.974 819 S HN 0.819 nan 8.310 nan 0.000 0.427 820 D N 1.263 121.617 120.400 -0.076 0.000 2.170 820 D HA -0.146 4.485 4.640 -0.015 0.000 0.193 820 D C 1.607 177.837 176.300 -0.117 0.000 1.004 820 D CA 1.368 55.318 54.000 -0.083 0.000 0.860 820 D CB -0.581 40.175 40.800 -0.074 0.000 0.931 820 D HN 0.337 nan 8.370 nan 0.000 0.448 821 D N 0.381 120.680 120.400 -0.170 0.000 2.084 821 D HA -0.078 4.554 4.640 -0.015 0.000 0.196 821 D C 2.101 178.281 176.300 -0.200 0.000 0.985 821 D CA 1.379 55.221 54.000 -0.264 0.000 0.826 821 D CB -0.539 39.978 40.800 -0.471 0.000 0.978 821 D HN 0.154 nan 8.370 nan 0.000 0.456 822 A N 0.836 123.567 122.820 -0.149 0.000 1.917 822 A HA -0.187 4.125 4.320 -0.015 0.000 0.219 822 A C 2.395 179.928 177.584 -0.084 0.000 1.182 822 A CA 1.198 53.179 52.037 -0.094 0.000 0.633 822 A CB -0.906 18.056 19.000 -0.063 0.000 0.819 822 A HN 0.225 nan 8.150 nan 0.000 0.448 823 L N -1.476 119.697 121.223 -0.083 0.000 2.017 823 L HA -0.227 4.104 4.340 -0.015 0.000 0.208 823 L C 2.931 179.754 176.870 -0.078 0.000 1.073 823 L CA 1.749 56.546 54.840 -0.073 0.000 0.745 823 L CB -0.495 41.526 42.059 -0.063 0.000 0.894 823 L HN 0.428 nan 8.230 nan 0.000 0.432 824 M N -1.021 118.527 119.600 -0.087 0.000 2.117 824 M HA -0.194 4.277 4.480 -0.015 0.000 0.262 824 M C 2.306 178.553 176.300 -0.089 0.000 1.065 824 M CA 1.388 56.638 55.300 -0.083 0.000 1.114 824 M CB -0.380 32.169 32.600 -0.085 0.000 1.361 824 M HN 0.085 nan 8.290 nan 0.000 0.408 825 V N 0.444 120.302 119.914 -0.095 0.000 2.287 825 V HA -0.265 3.846 4.120 -0.015 0.000 0.248 825 V C 2.318 178.347 176.094 -0.109 0.000 1.053 825 V CA 1.558 63.802 62.300 -0.092 0.000 1.027 825 V CB -0.727 31.056 31.823 -0.067 0.000 0.646 825 V HN 0.395 nan 8.190 nan 0.000 0.447 826 L N 0.271 121.435 121.223 -0.098 0.000 2.083 826 L HA -0.144 4.187 4.340 -0.015 0.000 0.209 826 L C 2.397 179.210 176.870 -0.095 0.000 1.083 826 L CA 2.190 56.968 54.840 -0.104 0.000 0.752 826 L CB -0.886 41.117 42.059 -0.094 0.000 0.899 826 L HN 0.499 nan 8.230 nan 0.000 0.433 827 E N -1.086 119.062 120.200 -0.086 0.000 2.051 827 E HA -0.188 4.153 4.350 -0.015 0.000 0.192 827 E C 2.083 178.621 176.600 -0.103 0.000 0.991 827 E CA 1.722 58.075 56.400 -0.078 0.000 0.799 827 E CB -0.011 29.649 29.700 -0.066 0.000 0.748 827 E HN 0.347 nan 8.360 nan 0.000 0.449 828 V N 0.705 120.540 119.914 -0.131 0.000 2.332 828 V HA -0.381 3.730 4.120 -0.015 0.000 0.248 828 V C 2.563 178.541 176.094 -0.194 0.000 1.055 828 V CA 1.810 63.993 62.300 -0.195 0.000 1.038 828 V CB -0.658 31.045 31.823 -0.200 0.000 0.651 828 V HN 0.560 nan 8.190 nan 0.000 0.450 829 C N -0.532 118.683 119.300 -0.143 0.000 2.432 829 C HA -0.204 4.247 4.460 -0.015 0.000 0.277 829 C C 2.875 177.840 174.990 -0.041 0.000 1.249 829 C CA 1.136 60.098 59.018 -0.094 0.000 1.725 829 C CB -1.137 26.544 27.740 -0.099 0.000 2.028 829 C HN 0.612 nan 8.230 nan 0.000 0.477 830 Q N 0.905 120.679 119.800 -0.043 0.000 2.030 830 Q HA -0.181 4.150 4.340 -0.015 0.000 0.204 830 Q C 2.554 178.545 176.000 -0.016 0.000 0.986 830 Q CA 1.937 57.736 55.803 -0.007 0.000 0.843 830 Q CB -0.437 28.288 28.738 -0.022 0.000 0.904 830 Q HN 0.738 nan 8.270 nan 0.000 0.420 831 A N 0.394 123.177 122.820 -0.060 0.000 1.892 831 A HA -0.199 4.112 4.320 -0.015 0.000 0.218 831 A C 2.365 179.936 177.584 -0.021 0.000 1.188 831 A CA 1.815 53.819 52.037 -0.055 0.000 0.631 831 A CB -0.926 17.985 19.000 -0.148 0.000 0.822 831 A HN 0.234 nan 8.150 nan 0.000 0.447 832 V N 0.697 120.541 119.914 -0.117 0.000 2.270 832 V HA -0.222 3.889 4.120 -0.015 0.000 0.245 832 V C 3.035 179.180 176.094 0.085 0.000 1.043 832 V CA 2.422 64.718 62.300 -0.008 0.000 1.014 832 V CB -0.848 30.921 31.823 -0.090 0.000 0.645 832 V HN 0.836 nan 8.190 nan 0.000 0.447 833 S N -0.340 115.386 115.700 0.043 0.000 2.399 833 S HA -0.334 4.127 4.470 -0.015 0.000 0.231 833 S C 1.957 176.547 174.600 -0.017 0.000 1.022 833 S CA 1.936 60.147 58.200 0.019 0.000 0.983 833 S CB -0.492 62.682 63.200 -0.044 0.000 0.803 833 S HN 0.685 nan 8.310 nan 0.000 0.480 834 Q N 1.568 121.365 119.800 -0.005 0.000 1.993 834 Q HA -0.133 4.198 4.340 -0.015 0.000 0.202 834 Q C 2.524 178.495 176.000 -0.047 0.000 0.984 834 Q CA 1.386 57.165 55.803 -0.040 0.000 0.837 834 Q CB -0.257 28.481 28.738 -0.001 0.000 0.902 834 Q HN 0.641 nan 8.270 nan 0.000 0.423 835 R N -0.243 120.281 120.500 0.041 0.000 2.103 835 R HA -0.217 4.115 4.340 -0.015 0.000 0.242 835 R C 2.162 178.452 176.300 -0.017 0.000 1.142 835 R CA 1.438 57.563 56.100 0.043 0.000 0.960 835 R CB -0.472 29.918 30.300 0.150 0.000 0.858 835 R HN 0.394 nan 8.270 nan 0.000 0.439 836 A N 0.705 123.540 122.820 0.026 0.000 1.873 836 A HA -0.199 4.112 4.320 -0.015 0.000 0.218 836 A C 2.387 179.913 177.584 -0.097 0.000 1.193 836 A CA 2.079 54.158 52.037 0.070 0.000 0.629 836 A CB -0.967 18.193 19.000 0.267 0.000 0.826 836 A HN 0.570 nan 8.150 nan 0.000 0.447 837 A N -1.036 121.491 122.820 -0.488 0.000 1.902 837 A HA -0.208 4.104 4.320 -0.015 0.000 0.217 837 A C 2.150 179.457 177.584 -0.461 0.000 1.181 837 A CA 1.683 53.064 52.037 -1.093 0.000 0.623 837 A CB -0.577 17.779 19.000 -1.075 0.000 0.818 837 A HN 0.680 nan 8.150 nan 0.000 0.443 838 Q N -0.500 119.148 119.800 -0.253 0.000 2.079 838 Q HA -0.071 4.260 4.340 -0.015 0.000 0.200 838 Q C 2.151 178.103 176.000 -0.079 0.000 0.974 838 Q CA 1.295 57.019 55.803 -0.132 0.000 0.840 838 Q CB -0.316 28.375 28.738 -0.078 0.000 0.898 838 Q HN 0.671 nan 8.270 nan 0.000 0.430 839 L N 0.081 121.260 121.223 -0.073 0.000 1.989 839 L HA -0.264 4.068 4.340 -0.015 0.000 0.211 839 L C 2.826 179.701 176.870 0.008 0.000 1.071 839 L CA 1.087 55.919 54.840 -0.014 0.000 0.749 839 L CB -0.691 41.298 42.059 -0.117 0.000 0.890 839 L HN 0.446 nan 8.230 nan 0.000 0.431 840 C N 0.490 119.766 119.300 -0.040 0.000 2.401 840 C HA -0.172 4.279 4.460 -0.015 0.000 0.276 840 C C 2.865 177.910 174.990 0.092 0.000 1.233 840 C CA 1.033 60.084 59.018 0.055 0.000 1.753 840 C CB -1.375 26.509 27.740 0.240 0.000 2.029 840 C HN 0.669 nan 8.230 nan 0.000 0.478 841 G N 0.050 108.866 108.800 0.027 0.000 2.459 841 G HA2 -0.066 3.885 3.960 -0.015 0.000 0.217 841 G HA3 -0.066 3.885 3.960 -0.015 0.000 0.217 841 G C 2.041 176.975 174.900 0.057 0.000 1.183 841 G CA 1.264 46.398 45.100 0.056 0.000 0.776 841 G HN 0.815 nan 8.290 nan 0.000 0.552 842 A N 0.854 123.679 122.820 0.009 0.000 1.948 842 A HA 0.060 4.371 4.320 -0.015 0.000 0.220 842 A C 2.663 180.222 177.584 -0.042 0.000 1.177 842 A CA 2.341 54.369 52.037 -0.015 0.000 0.636 842 A CB -1.138 17.853 19.000 -0.015 0.000 0.815 842 A HN 0.598 nan 8.150 nan 0.000 0.449 843 G N -0.470 108.277 108.800 -0.089 0.000 2.484 843 G HA2 -0.148 3.803 3.960 -0.015 0.000 0.215 843 G HA3 -0.148 3.803 3.960 -0.015 0.000 0.215 843 G C 1.509 176.500 174.900 0.152 0.000 1.219 843 G CA 1.399 46.380 45.100 -0.198 0.000 0.791 843 G HN 0.372 nan 8.290 nan 0.000 0.550 844 V N 1.916 122.011 119.914 0.302 0.000 2.380 844 V HA -0.201 3.910 4.120 -0.015 0.000 0.251 844 V C 3.337 179.513 176.094 0.137 0.000 1.063 844 V CA 2.066 64.550 62.300 0.306 0.000 1.055 844 V CB -1.076 30.973 31.823 0.376 0.000 0.657 844 V HN 0.517 nan 8.190 nan 0.000 0.455 845 A N 0.207 123.085 122.820 0.096 0.000 1.883 845 A HA -0.179 4.132 4.320 -0.015 0.000 0.217 845 A C 2.466 180.043 177.584 -0.012 0.000 1.186 845 A CA 2.371 54.430 52.037 0.037 0.000 0.624 845 A CB -0.890 18.123 19.000 0.022 0.000 0.822 845 A HN 0.608 nan 8.150 nan 0.000 0.444 846 A N -0.759 122.042 122.820 -0.033 0.000 1.902 846 A HA 0.021 4.333 4.320 -0.015 0.000 0.217 846 A C 2.259 179.768 177.584 -0.125 0.000 1.181 846 A CA 1.813 53.801 52.037 -0.082 0.000 0.623 846 A CB -0.915 18.014 19.000 -0.119 0.000 0.818 846 A HN 0.384 nan 8.150 nan 0.000 0.443 847 V N 0.357 120.199 119.914 -0.119 0.000 2.237 847 V HA -0.259 3.852 4.120 -0.015 0.000 0.245 847 V C 2.773 178.715 176.094 -0.253 0.000 1.046 847 V CA 2.113 64.243 62.300 -0.283 0.000 1.007 847 V CB -1.100 30.599 31.823 -0.207 0.000 0.638 847 V HN 0.588 nan 8.190 nan 0.000 0.445 848 V N -1.620 118.215 119.914 -0.131 0.000 2.392 848 V HA -0.231 3.880 4.120 -0.015 0.000 0.249 848 V C 2.322 178.362 176.094 -0.090 0.000 1.059 848 V CA 2.080 64.320 62.300 -0.101 0.000 1.051 848 V CB -0.877 30.910 31.823 -0.060 0.000 0.658 848 V HN 0.527 nan 8.190 nan 0.000 0.455 849 E N 0.919 121.070 120.200 -0.083 0.000 2.047 849 E HA -0.211 4.130 4.350 -0.015 0.000 0.191 849 E C 2.154 178.704 176.600 -0.083 0.000 0.987 849 E CA 1.771 58.132 56.400 -0.067 0.000 0.799 849 E CB -0.235 29.434 29.700 -0.053 0.000 0.752 849 E HN 0.720 nan 8.360 nan 0.000 0.449 850 K N 1.268 121.590 120.400 -0.130 0.000 2.020 850 K HA -0.137 4.174 4.320 -0.015 0.000 0.212 850 K C 2.137 178.675 176.600 -0.103 0.000 1.050 850 K CA 1.268 57.473 56.287 -0.136 0.000 0.929 850 K CB -0.409 31.947 32.500 -0.240 0.000 0.714 850 K HN 0.036 nan 8.250 nan 0.000 0.443 851 I N 0.239 120.728 120.570 -0.134 0.000 2.208 851 I HA -0.306 3.855 4.170 -0.015 0.000 0.245 851 I C 2.746 178.844 176.117 -0.032 0.000 1.097 851 I CA 1.483 62.751 61.300 -0.055 0.000 1.363 851 I CB -0.333 37.636 38.000 -0.050 0.000 1.051 851 I HN 0.262 nan 8.210 nan 0.000 0.413 852 R N 1.039 121.513 120.500 -0.043 0.000 2.070 852 R HA -0.238 4.094 4.340 -0.015 0.000 0.233 852 R C 2.306 178.593 176.300 -0.022 0.000 1.137 852 R CA 2.026 58.109 56.100 -0.028 0.000 0.945 852 R CB -0.213 30.070 30.300 -0.029 0.000 0.845 852 R HN 0.351 nan 8.270 nan 0.000 0.430 853 E N -0.063 120.121 120.200 -0.026 0.000 2.106 853 E HA -0.188 4.153 4.350 -0.015 0.000 0.192 853 E C 1.541 178.133 176.600 -0.012 0.000 0.984 853 E CA 1.267 57.655 56.400 -0.019 0.000 0.806 853 E CB 0.036 29.723 29.700 -0.023 0.000 0.750 853 E HN 0.331 nan 8.360 nan 0.000 0.458 854 N N 0.691 119.384 118.700 -0.011 0.000 2.137 854 N HA -0.157 4.574 4.740 -0.015 0.000 0.190 854 N C 1.068 176.578 175.510 0.001 0.000 1.017 854 N CA 1.171 54.222 53.050 0.002 0.000 0.859 854 N CB -0.142 38.356 38.487 0.019 0.000 1.002 854 N HN 0.183 nan 8.380 nan 0.000 0.428 855 R N -0.224 120.275 120.500 -0.002 0.000 2.388 855 R HA 0.219 4.550 4.340 -0.015 0.000 0.247 855 R C 0.736 177.033 176.300 -0.005 0.000 0.931 855 R CA 0.279 56.377 56.100 -0.003 0.000 1.082 855 R CB 0.079 30.377 30.300 -0.003 0.000 1.135 855 R HN 0.123 nan 8.270 nan 0.000 0.525 856 G N 1.775 110.572 108.800 -0.006 0.000 2.321 856 G HA2 -0.295 3.656 3.960 -0.015 0.000 0.287 856 G HA3 -0.295 3.656 3.960 -0.015 0.000 0.287 856 G C 0.098 174.994 174.900 -0.006 0.000 1.018 856 G CA 0.282 45.379 45.100 -0.006 0.000 0.855 856 G HN 0.222 nan 8.290 nan 0.000 0.507 857 L N -1.275 119.943 121.223 -0.008 0.000 2.421 857 L HA 0.449 4.780 4.340 -0.015 0.000 0.263 857 L C 1.500 178.366 176.870 -0.007 0.000 1.122 857 L CA -0.586 54.250 54.840 -0.007 0.000 0.804 857 L CB 0.977 43.031 42.059 -0.009 0.000 1.150 857 L HN 0.178 nan 8.230 nan 0.000 0.457 858 E N -0.001 120.196 120.200 -0.005 0.000 2.364 858 E HA 0.034 4.375 4.350 -0.015 0.000 0.196 858 E C -0.084 176.514 176.600 -0.004 0.000 0.990 858 E CA 0.200 56.598 56.400 -0.004 0.000 0.886 858 E CB 0.726 30.424 29.700 -0.003 0.000 0.866 858 E HN 0.518 nan 8.360 nan 0.000 0.493 859 E N 0.523 120.720 120.200 -0.005 0.000 2.356 859 E HA 0.386 4.727 4.350 -0.015 0.000 0.275 859 E C -1.959 174.636 176.600 -0.009 0.000 0.904 859 E CA -0.827 55.570 56.400 -0.005 0.000 0.757 859 E CB 1.626 31.324 29.700 -0.003 0.000 1.232 859 E HN -0.089 nan 8.360 nan 0.000 0.442 860 L N 2.908 124.124 121.223 -0.011 0.000 2.409 860 L HA 0.761 5.092 4.340 -0.015 0.000 0.272 860 L C -1.603 175.255 176.870 -0.020 0.000 0.980 860 L CA -0.392 54.438 54.840 -0.017 0.000 0.826 860 L CB 1.694 43.739 42.059 -0.024 0.000 1.268 860 L HN 0.622 nan 8.230 nan 0.000 0.407 861 A N 4.820 127.627 122.820 -0.021 0.000 2.258 861 A HA 0.761 5.072 4.320 -0.015 0.000 0.316 861 A C -1.247 176.316 177.584 -0.036 0.000 1.279 861 A CA -0.437 51.586 52.037 -0.024 0.000 0.876 861 A CB 1.043 20.033 19.000 -0.017 0.000 1.170 861 A HN 0.934 nan 8.150 nan 0.000 0.520 862 V N 2.674 122.556 119.914 -0.055 0.000 2.932 862 V HA 0.683 4.795 4.120 -0.015 0.000 0.307 862 V C -0.442 175.584 176.094 -0.113 0.000 1.147 862 V CA -0.322 61.935 62.300 -0.073 0.000 0.951 862 V CB 2.578 34.355 31.823 -0.076 0.000 1.031 862 V HN 0.906 nan 8.190 nan 0.000 0.426 863 S N 4.101 119.738 115.700 -0.105 0.000 2.565 863 S HA 0.774 5.236 4.470 -0.015 0.000 0.290 863 S C -0.730 173.770 174.600 -0.168 0.000 1.150 863 S CA -0.562 57.557 58.200 -0.134 0.000 1.058 863 S CB 1.796 64.956 63.200 -0.068 0.000 1.032 863 S HN 0.708 nan 8.310 nan 0.000 0.510 864 V N 2.077 121.843 119.914 -0.247 0.000 2.378 864 V HA 0.522 4.634 4.120 -0.015 0.000 0.288 864 V C 0.652 176.695 176.094 -0.085 0.000 1.016 864 V CA -0.746 61.424 62.300 -0.216 0.000 0.840 864 V CB 1.292 32.866 31.823 -0.416 0.000 0.994 864 V HN 1.012 nan 8.190 nan 0.000 0.431 865 G N 3.521 112.289 108.800 -0.052 0.000 2.372 865 G HA2 0.453 4.404 3.960 -0.015 0.000 0.286 865 G HA3 0.453 4.404 3.960 -0.015 0.000 0.286 865 G C -0.634 174.240 174.900 -0.043 0.000 1.153 865 G CA -0.050 45.036 45.100 -0.024 0.000 0.985 865 G HN 0.620 nan 8.290 nan 0.000 0.429 866 V N 2.920 122.804 119.914 -0.049 0.000 2.680 866 V HA 0.764 4.875 4.120 -0.015 0.000 0.309 866 V C -1.367 174.635 176.094 -0.154 0.000 1.052 866 V CA -0.862 61.336 62.300 -0.170 0.000 0.908 866 V CB 2.270 33.862 31.823 -0.386 0.000 1.001 866 V HN 0.748 nan 8.190 nan 0.000 0.431 867 D N 2.458 122.765 120.400 -0.154 0.000 2.583 867 D HA 0.781 5.412 4.640 -0.015 0.000 0.248 867 D C -0.564 175.715 176.300 -0.034 0.000 1.209 867 D CA 0.745 54.713 54.000 -0.054 0.000 0.848 867 D CB 2.388 43.172 40.800 -0.027 0.000 1.431 867 D HN 1.281 nan 8.370 nan 0.000 0.436 868 G N -0.273 108.543 108.800 0.027 0.000 2.634 868 G HA2 0.066 4.017 3.960 -0.015 0.000 0.568 868 G HA3 0.066 4.017 3.960 -0.015 0.000 0.568 868 G C 0.687 175.626 174.900 0.065 0.000 1.495 868 G CA 0.332 45.452 45.100 0.032 0.000 0.903 868 G HN 0.449 nan 8.290 nan 0.000 0.646 869 T N 0.661 115.235 114.554 0.033 0.000 2.746 869 T HA -0.150 4.191 4.350 -0.015 0.000 0.267 869 T C 2.460 177.171 174.700 0.019 0.000 1.039 869 T CA 1.963 64.082 62.100 0.033 0.000 1.142 869 T CB -0.159 68.722 68.868 0.023 0.000 0.866 869 T HN 1.063 nan 8.240 nan 0.000 0.444 870 L N 0.256 121.462 121.223 -0.028 0.000 1.970 870 L HA -0.026 4.305 4.340 -0.015 0.000 0.212 870 L C 2.399 179.183 176.870 -0.143 0.000 1.071 870 L CA 1.810 56.583 54.840 -0.112 0.000 0.751 870 L CB -1.197 40.709 42.059 -0.255 0.000 0.889 870 L HN 0.356 nan 8.230 nan 0.000 0.432 871 Y N 0.287 120.422 120.300 -0.275 0.000 2.097 871 Y HA -0.354 4.187 4.550 -0.014 0.000 0.282 871 Y C 2.974 178.873 175.900 -0.002 0.000 1.152 871 Y CA 2.967 60.979 58.100 -0.146 0.000 1.136 871 Y CB -0.473 37.958 38.460 -0.047 0.000 0.975 871 Y HN 0.135 nan 8.280 nan 0.000 0.498 872 K N 0.298 120.820 120.400 0.202 0.000 2.097 872 K HA -0.108 4.204 4.320 -0.015 0.000 0.206 872 K C 1.882 178.497 176.600 0.025 0.000 1.049 872 K CA 1.884 58.249 56.287 0.131 0.000 0.933 872 K CB -0.740 31.839 32.500 0.132 0.000 0.717 872 K HN 0.607 nan 8.250 nan 0.000 0.442 873 L N -1.239 119.994 121.223 0.017 0.000 2.316 873 L HA 0.233 4.564 4.340 -0.015 0.000 0.207 873 L C 1.536 178.398 176.870 -0.012 0.000 1.070 873 L CA -0.052 54.787 54.840 -0.001 0.000 0.820 873 L CB -0.300 41.762 42.059 0.004 0.000 0.992 873 L HN 0.383 nan 8.230 nan 0.000 0.466 874 H N 2.486 121.511 119.070 -0.075 0.000 3.034 874 H HA -0.009 4.538 4.556 -0.014 0.000 0.324 874 H C -1.641 173.657 175.328 -0.051 0.000 1.015 874 H CA -1.012 55.004 56.048 -0.053 0.000 1.429 874 H CB 1.586 31.340 29.762 -0.013 0.000 1.429 874 H HN -0.086 nan 8.280 nan 0.000 0.585 875 P HA -0.181 nan 4.420 nan 0.000 0.216 875 P C 1.378 178.671 177.300 -0.011 0.000 1.154 875 P CA 2.644 65.643 63.100 -0.168 0.000 0.865 875 P CB 0.284 31.827 31.700 -0.261 0.000 0.789 876 R N -2.160 118.446 120.500 0.177 0.000 2.250 876 R HA 0.195 4.526 4.340 -0.015 0.000 0.194 876 R C 1.983 178.356 176.300 0.121 0.000 0.927 876 R CA 0.418 56.602 56.100 0.141 0.000 1.052 876 R CB -1.814 28.558 30.300 0.120 0.000 1.055 876 R HN 0.076 nan 8.270 nan 0.000 0.537 877 F N 2.746 122.749 119.950 0.089 0.000 2.032 877 F HA -0.390 4.129 4.527 -0.015 0.000 0.297 877 F C 2.806 178.480 175.800 -0.209 0.000 1.125 877 F CA 3.412 61.325 58.000 -0.145 0.000 1.202 877 F CB -0.237 38.626 39.000 -0.228 0.000 0.958 877 F HN 0.331 nan 8.300 nan 0.000 0.491 878 S N -0.944 114.682 115.700 -0.122 0.000 2.359 878 S HA -0.231 4.230 4.470 -0.015 0.000 0.224 878 S C 2.125 176.560 174.600 -0.274 0.000 1.035 878 S CA 1.592 59.535 58.200 -0.429 0.000 1.018 878 S CB -1.067 61.656 63.200 -0.796 0.000 0.876 878 S HN 0.420 nan 8.310 nan 0.000 0.448 879 S N 1.150 116.741 115.700 -0.182 0.000 2.356 879 S HA -0.043 4.419 4.470 -0.015 0.000 0.223 879 S C 2.018 176.537 174.600 -0.134 0.000 1.032 879 S CA 1.238 59.361 58.200 -0.129 0.000 1.005 879 S CB -0.953 62.201 63.200 -0.077 0.000 0.867 879 S HN 0.463 nan 8.310 nan 0.000 0.449 880 L N 1.478 122.606 121.223 -0.157 0.000 2.191 880 L HA -0.004 4.327 4.340 -0.015 0.000 0.212 880 L C 2.225 178.978 176.870 -0.196 0.000 1.103 880 L CA 1.022 55.762 54.840 -0.166 0.000 0.769 880 L CB -1.074 40.867 42.059 -0.197 0.000 0.908 880 L HN 0.394 nan 8.230 nan 0.000 0.438 881 V N -0.344 119.413 119.914 -0.262 0.000 2.229 881 V HA -0.195 3.916 4.120 -0.015 0.000 0.243 881 V C 2.952 178.976 176.094 -0.116 0.000 1.042 881 V CA 1.856 64.034 62.300 -0.203 0.000 1.000 881 V CB -1.367 30.344 31.823 -0.186 0.000 0.637 881 V HN 0.628 nan 8.190 nan 0.000 0.446 882 A N 0.129 122.822 122.820 -0.212 0.000 1.940 882 A HA -0.298 4.013 4.320 -0.015 0.000 0.221 882 A C 2.388 179.998 177.584 0.043 0.000 1.190 882 A CA 2.781 54.782 52.037 -0.060 0.000 0.647 882 A CB -0.973 17.973 19.000 -0.091 0.000 0.821 882 A HN 0.658 nan 8.150 nan 0.000 0.457 883 A N -1.427 121.387 122.820 -0.010 0.000 1.902 883 A HA -0.069 4.242 4.320 -0.015 0.000 0.217 883 A C 2.290 179.891 177.584 0.027 0.000 1.181 883 A CA 2.270 54.312 52.037 0.009 0.000 0.623 883 A CB -1.182 17.808 19.000 -0.016 0.000 0.818 883 A HN 0.472 nan 8.150 nan 0.000 0.443 884 T N -0.477 114.085 114.554 0.012 0.000 2.904 884 T HA -0.056 4.285 4.350 -0.015 0.000 0.267 884 T C 1.794 176.530 174.700 0.060 0.000 1.059 884 T CA 1.334 63.449 62.100 0.025 0.000 1.137 884 T CB -0.261 68.602 68.868 -0.009 0.000 0.879 884 T HN 0.155 nan 8.240 nan 0.000 0.467 885 V N 1.439 121.412 119.914 0.098 0.000 2.515 885 V HA -0.124 3.988 4.120 -0.015 0.000 0.250 885 V C 2.592 178.749 176.094 0.104 0.000 1.058 885 V CA 1.447 63.828 62.300 0.135 0.000 1.064 885 V CB -0.542 31.434 31.823 0.256 0.000 0.675 885 V HN 0.384 nan 8.190 nan 0.000 0.461 886 R N -0.045 120.513 120.500 0.097 0.000 2.062 886 R HA -0.170 4.161 4.340 -0.015 0.000 0.231 886 R C 2.426 178.768 176.300 0.070 0.000 1.136 886 R CA 1.696 57.842 56.100 0.076 0.000 0.948 886 R CB -0.382 29.959 30.300 0.067 0.000 0.845 886 R HN 0.589 nan 8.270 nan 0.000 0.430 887 E N 0.820 121.066 120.200 0.076 0.000 2.097 887 E HA -0.215 4.126 4.350 -0.015 0.000 0.196 887 E C 1.720 178.401 176.600 0.136 0.000 1.000 887 E CA 1.313 57.777 56.400 0.106 0.000 0.804 887 E CB 0.075 29.851 29.700 0.127 0.000 0.740 887 E HN 0.284 nan 8.360 nan 0.000 0.454 888 L N -1.041 120.236 121.223 0.090 0.000 2.515 888 L HA 0.243 4.574 4.340 -0.015 0.000 0.223 888 L C 0.764 177.659 176.870 0.042 0.000 1.079 888 L CA 0.315 55.189 54.840 0.057 0.000 0.857 888 L CB 0.592 42.655 42.059 0.005 0.000 1.050 888 L HN 0.022 nan 8.230 nan 0.000 0.476 889 A N -0.206 122.641 122.820 0.046 0.000 3.159 889 A HA 0.463 4.774 4.320 -0.015 0.000 0.330 889 A C -2.106 175.499 177.584 0.035 0.000 1.032 889 A CA -0.907 51.149 52.037 0.031 0.000 0.841 889 A CB 0.047 19.061 19.000 0.024 0.000 1.093 889 A HN -0.060 nan 8.150 nan 0.000 0.478 890 P HA -0.073 nan 4.420 nan 0.000 0.218 890 P C 1.960 179.273 177.300 0.022 0.000 1.152 890 P CA 1.738 64.858 63.100 0.033 0.000 0.826 890 P CB 0.145 31.864 31.700 0.032 0.000 0.790 891 R N -0.725 119.784 120.500 0.015 0.000 2.293 891 R HA -0.005 4.326 4.340 -0.015 0.000 0.219 891 R C 1.091 177.393 176.300 0.004 0.000 1.091 891 R CA 1.011 57.116 56.100 0.008 0.000 1.004 891 R CB -1.881 28.421 30.300 0.004 0.000 0.865 891 R HN 0.288 nan 8.270 nan 0.000 0.469 892 C N -0.126 119.177 119.300 0.005 0.000 2.341 892 C HA 0.638 5.090 4.460 -0.015 0.000 0.338 892 C C 0.239 175.232 174.990 0.005 0.000 1.257 892 C CA -1.152 57.865 59.018 -0.003 0.000 1.883 892 C CB 1.712 29.446 27.740 -0.011 0.000 2.334 892 C HN 0.385 nan 8.230 nan 0.000 0.524 893 V N 4.578 124.490 119.914 -0.003 0.000 2.288 893 V HA 0.219 4.330 4.120 -0.015 0.000 0.266 893 V C 0.010 176.094 176.094 -0.017 0.000 1.048 893 V CA -0.092 62.211 62.300 0.004 0.000 0.842 893 V CB 0.634 32.460 31.823 0.005 0.000 1.064 893 V HN 0.721 nan 8.190 nan 0.000 0.472 894 V N 4.337 124.243 119.914 -0.014 0.000 2.364 894 V HA 0.360 4.471 4.120 -0.015 0.000 0.272 894 V C 0.556 176.597 176.094 -0.088 0.000 1.036 894 V CA -0.115 62.122 62.300 -0.106 0.000 0.880 894 V CB 1.615 33.346 31.823 -0.153 0.000 0.991 894 V HN 0.822 nan 8.190 nan 0.000 0.460 895 T N 5.975 120.444 114.554 -0.141 0.000 2.829 895 T HA 0.605 4.946 4.350 -0.015 0.000 0.282 895 T C -0.544 174.058 174.700 -0.164 0.000 0.990 895 T CA -0.036 62.044 62.100 -0.034 0.000 1.028 895 T CB 0.612 69.480 68.868 0.000 0.000 0.951 895 T HN 0.304 nan 8.240 nan 0.000 0.460 896 F N 2.666 122.664 119.950 0.080 0.000 2.415 896 F HA 0.502 5.020 4.527 -0.015 0.000 0.348 896 F C 0.061 175.915 175.800 0.091 0.000 1.119 896 F CA -1.002 57.056 58.000 0.096 0.000 1.069 896 F CB 0.914 40.020 39.000 0.177 0.000 1.124 896 F HN 0.196 nan 8.300 nan 0.000 0.472 897 L N 3.476 124.814 121.223 0.192 0.000 2.296 897 L HA 0.430 4.761 4.340 -0.015 0.000 0.286 897 L C -0.348 176.607 176.870 0.142 0.000 1.023 897 L CA -0.798 54.125 54.840 0.139 0.000 0.812 897 L CB 1.659 43.760 42.059 0.069 0.000 1.223 897 L HN 0.568 nan 8.230 nan 0.000 0.421 898 Q N 2.080 121.977 119.800 0.161 0.000 2.274 898 Q HA 0.195 4.527 4.340 -0.015 0.000 0.256 898 Q C -0.129 175.927 176.000 0.094 0.000 0.927 898 Q CA -0.169 55.724 55.803 0.150 0.000 0.939 898 Q CB 1.531 30.395 28.738 0.210 0.000 1.201 898 Q HN 0.607 nan 8.270 nan 0.000 0.426 899 S N 3.136 118.873 115.700 0.061 0.000 2.465 899 S HA 0.174 4.635 4.470 -0.015 0.000 0.280 899 S C 0.979 175.607 174.600 0.047 0.000 1.232 899 S CA 0.518 58.745 58.200 0.044 0.000 1.066 899 S CB 0.622 63.834 63.200 0.019 0.000 0.929 899 S HN 0.805 nan 8.310 nan 0.000 0.494 900 E N 3.363 123.591 120.200 0.047 0.000 2.299 900 E HA -0.011 4.331 4.350 -0.015 0.000 0.193 900 E C 0.742 177.358 176.600 0.026 0.000 0.998 900 E CA 0.961 57.386 56.400 0.041 0.000 0.851 900 E CB -0.160 29.568 29.700 0.045 0.000 0.795 900 E HN 0.860 nan 8.360 nan 0.000 0.492 901 D N -1.236 119.174 120.400 0.017 0.000 2.469 901 D HA 0.344 4.975 4.640 -0.015 0.000 0.215 901 D C 0.977 177.273 176.300 -0.008 0.000 1.154 901 D CA 0.649 54.649 54.000 0.001 0.000 0.832 901 D CB 0.599 41.392 40.800 -0.012 0.000 1.008 901 D HN 0.565 nan 8.370 nan 0.000 0.506 902 G N 0.979 109.778 108.800 -0.002 0.000 2.796 902 G HA2 -0.291 3.660 3.960 -0.015 0.000 0.226 902 G HA3 -0.291 3.660 3.960 -0.015 0.000 0.226 902 G C 0.888 175.780 174.900 -0.014 0.000 1.381 902 G CA -0.015 45.081 45.100 -0.007 0.000 0.867 902 G HN 0.077 nan 8.290 nan 0.000 0.552 903 S N 0.371 116.065 115.700 -0.011 0.000 2.453 903 S HA 0.050 4.511 4.470 -0.015 0.000 0.231 903 S C 2.637 177.229 174.600 -0.014 0.000 1.005 903 S CA 1.846 60.040 58.200 -0.011 0.000 0.949 903 S CB -0.415 62.785 63.200 0.000 0.000 0.774 903 S HN 1.648 nan 8.310 nan 0.000 0.510 904 G N 2.088 110.879 108.800 -0.015 0.000 2.469 904 G HA2 -0.302 3.650 3.960 -0.015 0.000 0.220 904 G HA3 -0.302 3.650 3.960 -0.015 0.000 0.220 904 G C 1.311 176.181 174.900 -0.049 0.000 1.136 904 G CA 1.154 46.240 45.100 -0.024 0.000 0.759 904 G HN 0.478 nan 8.290 nan 0.000 0.562 905 K N 0.210 120.574 120.400 -0.061 0.000 2.026 905 K HA -0.035 4.277 4.320 -0.015 0.000 0.208 905 K C 2.682 179.212 176.600 -0.117 0.000 1.048 905 K CA 1.465 57.691 56.287 -0.102 0.000 0.929 905 K CB -0.610 31.826 32.500 -0.107 0.000 0.713 905 K HN 0.240 nan 8.250 nan 0.000 0.439 906 G N 0.338 109.092 108.800 -0.076 0.000 2.402 906 G HA2 -0.227 3.724 3.960 -0.015 0.000 0.216 906 G HA3 -0.227 3.724 3.960 -0.015 0.000 0.216 906 G C 1.586 176.435 174.900 -0.085 0.000 1.162 906 G CA 0.881 45.941 45.100 -0.065 0.000 0.777 906 G HN 0.443 nan 8.290 nan 0.000 0.539 907 A N 1.433 124.213 122.820 -0.067 0.000 1.892 907 A HA 0.090 4.401 4.320 -0.015 0.000 0.218 907 A C 2.845 180.330 177.584 -0.166 0.000 1.188 907 A CA 2.686 54.687 52.037 -0.061 0.000 0.631 907 A CB -0.993 18.008 19.000 0.001 0.000 0.822 907 A HN 0.903 nan 8.150 nan 0.000 0.447 908 A N -0.464 122.215 122.820 -0.234 0.000 1.908 908 A HA -0.089 4.222 4.320 -0.015 0.000 0.218 908 A C 2.190 179.335 177.584 -0.731 0.000 1.181 908 A CA 1.629 53.346 52.037 -0.533 0.000 0.627 908 A CB -0.642 18.152 19.000 -0.344 0.000 0.818 908 A HN 0.504 nan 8.150 nan 0.000 0.445 909 L N -0.628 120.371 121.223 -0.372 0.000 2.083 909 L HA -0.157 4.175 4.340 -0.015 0.000 0.209 909 L C 2.508 179.259 176.870 -0.197 0.000 1.083 909 L CA 0.990 55.683 54.840 -0.244 0.000 0.752 909 L CB -0.525 41.475 42.059 -0.098 0.000 0.899 909 L HN 0.259 nan 8.230 nan 0.000 0.433 910 V N -0.719 119.096 119.914 -0.166 0.000 2.307 910 V HA -0.259 3.852 4.120 -0.015 0.000 0.245 910 V C 2.539 178.569 176.094 -0.107 0.000 1.045 910 V CA 2.297 64.540 62.300 -0.095 0.000 1.024 910 V CB -0.812 30.979 31.823 -0.054 0.000 0.651 910 V HN 0.462 nan 8.190 nan 0.000 0.449 911 T N 0.684 115.125 114.554 -0.189 0.000 2.737 911 T HA -0.227 4.114 4.350 -0.015 0.000 0.269 911 T C 2.073 176.740 174.700 -0.054 0.000 1.040 911 T CA 1.618 63.642 62.100 -0.128 0.000 1.142 911 T CB -0.507 68.260 68.868 -0.168 0.000 0.861 911 T HN 0.579 nan 8.240 nan 0.000 0.456 912 A N 1.053 123.734 122.820 -0.232 0.000 1.917 912 A HA -0.113 4.198 4.320 -0.015 0.000 0.219 912 A C 2.596 180.237 177.584 0.095 0.000 1.182 912 A CA 1.775 53.860 52.037 0.080 0.000 0.633 912 A CB -1.050 17.970 19.000 0.032 0.000 0.819 912 A HN 0.400 nan 8.150 nan 0.000 0.448 913 V N -0.357 119.574 119.914 0.028 0.000 2.358 913 V HA -0.189 3.923 4.120 -0.015 0.000 0.246 913 V C 3.018 179.142 176.094 0.049 0.000 1.047 913 V CA 1.750 64.073 62.300 0.039 0.000 1.035 913 V CB -1.332 30.505 31.823 0.023 0.000 0.658 913 V HN 0.616 nan 8.190 nan 0.000 0.452 914 A N -0.789 122.058 122.820 0.045 0.000 1.978 914 A HA -0.261 4.050 4.320 -0.015 0.000 0.220 914 A C 2.342 179.965 177.584 0.065 0.000 1.170 914 A CA 2.308 54.375 52.037 0.049 0.000 0.636 914 A CB -1.028 17.999 19.000 0.045 0.000 0.810 914 A HN 0.613 nan 8.150 nan 0.000 0.448 915 C N -1.571 117.789 119.300 0.100 0.000 2.476 915 C HA 0.070 4.522 4.460 -0.015 0.000 0.278 915 C C 3.466 178.499 174.990 0.072 0.000 1.274 915 C CA 1.293 60.372 59.018 0.102 0.000 1.713 915 C CB -1.500 26.334 27.740 0.156 0.000 2.039 915 C HN 0.779 nan 8.230 nan 0.000 0.484 916 R N 0.691 121.236 120.500 0.075 0.000 2.091 916 R HA -0.032 4.299 4.340 -0.015 0.000 0.238 916 R C 2.251 178.577 176.300 0.042 0.000 1.136 916 R CA 2.277 58.410 56.100 0.055 0.000 0.959 916 R CB -1.836 28.497 30.300 0.056 0.000 0.856 916 R HN 0.659 nan 8.270 nan 0.000 0.437 917 L N -0.302 120.946 121.223 0.041 0.000 2.191 917 L HA 0.421 4.752 4.340 -0.015 0.000 0.212 917 L C 2.903 179.787 176.870 0.024 0.000 1.103 917 L CA 2.683 57.542 54.840 0.031 0.000 0.769 917 L CB -1.576 40.501 42.059 0.031 0.000 0.908 917 L HN 0.782 nan 8.230 nan 0.000 0.438 918 A N -1.080 121.756 122.820 0.027 0.000 1.911 918 A HA 0.374 4.685 4.320 -0.015 0.000 0.212 918 A C 1.932 179.527 177.584 0.018 0.000 1.189 918 A CA 1.371 53.420 52.037 0.020 0.000 0.639 918 A CB -0.616 18.398 19.000 0.023 0.000 0.839 918 A HN 1.181 nan 8.150 nan 0.000 0.449 919 Q N 0.000 119.814 119.800 0.023 0.000 2.315 919 Q HA 0.000 4.331 4.340 -0.015 0.000 0.214 919 Q CA 0.000 55.815 55.803 0.020 0.000 1.022 919 Q CB 0.000 28.752 28.738 0.023 0.000 1.108 919 Q HN 0.000 nan 8.270 nan 0.000 0.481