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_B 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 0.000 174.599 174.600 -0.001 0.000 1.055 479 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 479 S CB 0.000 63.195 63.200 -0.008 0.000 0.593 480 R N 1.649 122.147 120.500 -0.003 0.000 2.236 480 R HA 0.202 4.541 4.340 -0.001 0.000 0.208 480 R C 2.605 178.911 176.300 0.009 0.000 1.036 480 R CA 2.102 58.200 56.100 -0.003 0.000 1.001 480 R CB -1.410 28.885 30.300 -0.008 0.000 0.896 480 R HN 0.856 nan 8.270 nan 0.000 0.464 481 R N 0.076 120.584 120.500 0.013 0.000 2.070 481 R HA 0.071 4.411 4.340 -0.001 0.000 0.233 481 R C 2.932 179.253 176.300 0.035 0.000 1.137 481 R CA 2.116 58.230 56.100 0.022 0.000 0.945 481 R CB -1.896 28.416 30.300 0.020 0.000 0.845 481 R HN 0.544 nan 8.270 nan 0.000 0.430 482 L N 0.271 121.515 121.223 0.036 0.000 2.012 482 L HA 0.117 4.456 4.340 -0.001 0.000 0.210 482 L C 2.871 179.783 176.870 0.071 0.000 1.073 482 L CA 2.640 57.514 54.840 0.056 0.000 0.748 482 L CB -1.487 40.598 42.059 0.043 0.000 0.891 482 L HN 0.586 nan 8.230 nan 0.000 0.431 483 L N -0.567 120.683 121.223 0.044 0.000 2.013 483 L HA -0.216 4.123 4.340 -0.001 0.000 0.212 483 L C 2.752 179.651 176.870 0.048 0.000 1.073 483 L CA 2.480 57.343 54.840 0.037 0.000 0.753 483 L CB -0.697 41.364 42.059 0.003 0.000 0.890 483 L HN 0.565 nan 8.230 nan 0.000 0.432 484 E N 0.043 120.269 120.200 0.044 0.000 2.072 484 E HA -0.167 4.182 4.350 -0.001 0.000 0.190 484 E C 2.349 178.996 176.600 0.079 0.000 0.982 484 E CA 1.419 57.849 56.400 0.051 0.000 0.803 484 E CB -0.672 29.050 29.700 0.036 0.000 0.755 484 E HN 0.757 nan 8.360 nan 0.000 0.453 485 E N 1.292 121.542 120.200 0.083 0.000 2.070 485 E HA -0.212 4.137 4.350 -0.001 0.000 0.197 485 E C 2.189 178.878 176.600 0.148 0.000 1.004 485 E CA 2.057 58.517 56.400 0.100 0.000 0.805 485 E CB -1.483 28.272 29.700 0.093 0.000 0.744 485 E HN 0.273 nan 8.360 nan 0.000 0.451 486 T N 0.545 115.208 114.554 0.182 0.000 2.708 486 T HA -0.005 4.345 4.350 -0.001 0.000 0.266 486 T C 2.025 176.905 174.700 0.300 0.000 1.037 486 T CA 1.288 63.554 62.100 0.277 0.000 1.146 486 T CB -0.227 68.825 68.868 0.306 0.000 0.865 486 T HN 0.351 nan 8.240 nan 0.000 0.435 487 L N 0.704 122.042 121.223 0.191 0.000 2.552 487 L HA 0.155 4.494 4.340 -0.001 0.000 0.227 487 L C 2.856 179.892 176.870 0.276 0.000 1.146 487 L CA 0.146 55.105 54.840 0.199 0.000 0.858 487 L CB -0.636 41.448 42.059 0.041 0.000 0.969 487 L HN 0.221 nan 8.230 nan 0.000 0.451 488 A N 1.509 124.449 122.820 0.200 0.000 1.903 488 A HA -0.176 4.143 4.320 -0.001 0.000 0.219 488 A C -0.054 177.612 177.584 0.137 0.000 1.191 488 A CA 1.881 54.003 52.037 0.142 0.000 0.638 488 A CB -1.778 17.283 19.000 0.101 0.000 0.823 488 A HN 0.300 nan 8.150 nan 0.000 0.451 489 P HA -0.066 nan 4.420 nan 0.000 0.222 489 P C 0.680 177.924 177.300 -0.094 0.000 1.147 489 P CA 0.769 63.864 63.100 -0.009 0.000 0.790 489 P CB -0.164 31.484 31.700 -0.085 0.000 0.780 490 F N -0.674 119.305 119.950 0.048 0.000 2.811 490 F HA 0.091 4.618 4.527 -0.001 0.000 0.301 490 F C 1.210 177.018 175.800 0.013 0.000 1.151 490 F CA 0.240 58.258 58.000 0.031 0.000 1.412 490 F CB -0.064 38.954 39.000 0.029 0.000 1.113 490 F HN -0.326 nan 8.300 nan 0.000 0.579 491 R N 1.630 122.224 120.500 0.156 0.000 2.346 491 R HA 0.369 4.708 4.340 -0.001 0.000 0.309 491 R C -0.925 175.404 176.300 0.049 0.000 1.119 491 R CA -0.291 55.865 56.100 0.092 0.000 1.112 491 R CB 0.640 30.991 30.300 0.084 0.000 1.132 491 R HN 0.160 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 0.162 4.501 4.340 -0.001 0.000 0.284 492 L C 0.883 177.765 176.870 0.020 0.000 1.078 492 L CA -0.672 54.175 54.840 0.011 0.000 0.815 492 L CB 0.484 42.539 42.059 -0.006 0.000 1.162 492 L HN 0.571 nan 8.230 nan 0.000 0.435 493 N N 1.620 120.335 118.700 0.025 0.000 2.347 493 N HA -0.095 4.644 4.740 -0.001 0.000 0.253 493 N C 0.898 176.444 175.510 0.060 0.000 1.274 493 N CA -0.051 53.029 53.050 0.049 0.000 0.941 493 N CB 0.446 38.964 38.487 0.051 0.000 1.200 493 N HN 0.615 nan 8.380 nan 0.000 0.514 494 H N -0.402 118.669 119.070 0.001 0.000 2.319 494 H HA -0.126 4.429 4.556 -0.001 0.000 0.299 494 H C 0.575 175.903 175.328 0.001 0.000 1.092 494 H CA 2.455 58.504 56.048 0.001 0.000 1.302 494 H CB -0.050 29.713 29.762 0.001 0.000 1.373 494 H HN 0.625 nan 8.280 nan 0.000 0.497 495 D N 0.035 120.465 120.400 0.049 0.000 2.117 495 D HA -0.150 4.489 4.640 -0.001 0.000 0.197 495 D C 2.286 178.550 176.300 -0.059 0.000 0.987 495 D CA 1.255 55.251 54.000 -0.007 0.000 0.829 495 D CB -0.339 40.490 40.800 0.048 0.000 0.961 495 D HN 0.577 nan 8.370 nan 0.000 0.460 496 Q N -0.056 119.722 119.800 -0.036 0.000 2.030 496 Q HA -0.093 4.247 4.340 -0.001 0.000 0.204 496 Q C 2.485 178.451 176.000 -0.057 0.000 0.986 496 Q CA 0.852 56.633 55.803 -0.037 0.000 0.843 496 Q CB -0.183 28.542 28.738 -0.022 0.000 0.904 496 Q HN 0.293 nan 8.270 nan 0.000 0.420 497 L N 0.065 121.238 121.223 -0.083 0.000 2.083 497 L HA -0.215 4.124 4.340 -0.001 0.000 0.209 497 L C 2.485 179.279 176.870 -0.127 0.000 1.083 497 L CA 0.938 55.722 54.840 -0.092 0.000 0.752 497 L CB -0.577 41.422 42.059 -0.100 0.000 0.899 497 L HN 0.252 nan 8.230 nan 0.000 0.433 498 A N -0.021 122.669 122.820 -0.216 0.000 1.902 498 A HA -0.202 4.117 4.320 -0.001 0.000 0.217 498 A C 2.531 180.060 177.584 -0.092 0.000 1.181 498 A CA 1.775 53.697 52.037 -0.191 0.000 0.623 498 A CB -0.726 18.125 19.000 -0.248 0.000 0.818 498 A HN 0.411 nan 8.150 nan 0.000 0.443 499 A N -0.614 122.166 122.820 -0.067 0.000 1.933 499 A HA 0.003 4.322 4.320 -0.001 0.000 0.218 499 A C 2.231 179.811 177.584 -0.006 0.000 1.175 499 A CA 1.780 53.799 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 -0.015 119.900 119.914 0.001 0.000 2.295 500 V HA -0.330 3.789 4.120 -0.001 0.000 0.246 500 V C 2.732 178.834 176.094 0.014 0.000 1.049 500 V CA 2.339 64.671 62.300 0.055 0.000 1.024 500 V CB -0.839 31.029 31.823 0.076 0.000 0.648 500 V HN 0.785 nan 8.190 nan 0.000 0.447 501 Q N -0.051 119.726 119.800 -0.039 0.000 2.077 501 Q HA -0.267 4.072 4.340 -0.001 0.000 0.206 501 Q C 2.271 178.230 176.000 -0.069 0.000 0.989 501 Q CA 2.309 58.066 55.803 -0.075 0.000 0.853 501 Q CB -0.332 28.365 28.738 -0.069 0.000 0.907 501 Q HN 0.625 nan 8.270 nan 0.000 0.418 502 A N 0.675 123.470 122.820 -0.042 0.000 1.883 502 A HA -0.293 4.027 4.320 -0.001 0.000 0.217 502 A C 1.958 179.534 177.584 -0.013 0.000 1.186 502 A CA 1.919 53.939 52.037 -0.028 0.000 0.624 502 A CB -0.784 18.205 19.000 -0.019 0.000 0.822 502 A HN 0.635 nan 8.150 nan 0.000 0.444 503 Q N -1.422 118.392 119.800 0.024 0.000 2.245 503 Q HA -0.012 4.327 4.340 -0.001 0.000 0.201 503 Q C 2.003 178.056 176.000 0.087 0.000 0.955 503 Q CA 1.257 57.111 55.803 0.087 0.000 0.870 503 Q CB -0.140 28.679 28.738 0.136 0.000 0.945 503 Q HN 0.732 nan 8.270 nan 0.000 0.461 504 M N -0.444 119.099 119.600 -0.097 0.000 2.156 504 M HA -0.112 4.367 4.480 -0.001 0.000 0.264 504 M C 2.029 178.182 176.300 -0.246 0.000 1.067 504 M CA 1.288 56.293 55.300 -0.491 0.000 1.131 504 M CB 0.083 32.218 32.600 -0.774 0.000 1.368 504 M HN 0.023 nan 8.290 nan 0.000 0.416 505 R N 0.838 121.247 120.500 -0.150 0.000 2.105 505 R HA -0.177 4.162 4.340 -0.001 0.000 0.239 505 R C 2.101 178.367 176.300 -0.057 0.000 1.135 505 R CA 1.948 57.989 56.100 -0.098 0.000 0.967 505 R CB -0.426 29.829 30.300 -0.074 0.000 0.861 505 R HN 0.432 nan 8.270 nan 0.000 0.442 506 K N -0.818 119.563 120.400 -0.032 0.000 2.025 506 K HA -0.050 4.269 4.320 -0.001 0.000 0.207 506 K C 1.885 178.490 176.600 0.008 0.000 1.049 506 K CA 1.309 57.594 56.287 -0.003 0.000 0.933 506 K CB -0.217 32.292 32.500 0.016 0.000 0.714 506 K HN 0.213 nan 8.250 nan 0.000 0.438 507 A N 1.256 124.086 122.820 0.016 0.000 1.940 507 A HA -0.199 4.120 4.320 -0.001 0.000 0.219 507 A C 2.125 179.715 177.584 0.011 0.000 1.176 507 A CA 1.859 53.919 52.037 0.038 0.000 0.631 507 A CB -0.498 18.549 19.000 0.079 0.000 0.814 507 A HN 0.366 nan 8.150 nan 0.000 0.446 508 M N -0.663 118.924 119.600 -0.023 0.000 2.067 508 M HA -0.116 4.363 4.480 -0.001 0.000 0.260 508 M C 2.603 178.919 176.300 0.026 0.000 1.069 508 M CA 1.445 56.751 55.300 0.011 0.000 1.117 508 M CB -0.502 32.096 32.600 -0.002 0.000 1.334 508 M HN 0.460 nan 8.290 nan 0.000 0.407 509 A N 0.851 123.677 122.820 0.011 0.000 1.859 509 A HA -0.229 4.090 4.320 -0.001 0.000 0.217 509 A C 2.146 179.740 177.584 0.017 0.000 1.198 509 A CA 2.072 54.117 52.037 0.014 0.000 0.629 509 A CB -0.735 18.267 19.000 0.004 0.000 0.830 509 A HN 0.428 nan 8.150 nan 0.000 0.446 510 K N -1.117 119.294 120.400 0.018 0.000 2.009 510 K HA -0.144 4.175 4.320 -0.001 0.000 0.210 510 K C 2.210 178.823 176.600 0.022 0.000 1.049 510 K CA 1.251 57.550 56.287 0.020 0.000 0.929 510 K CB -0.686 31.829 32.500 0.025 0.000 0.714 510 K HN 0.496 nan 8.250 nan 0.000 0.440 511 G N 1.804 110.621 108.800 0.029 0.000 2.513 511 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.219 511 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.219 511 G C 1.532 176.443 174.900 0.019 0.000 1.160 511 G CA 0.939 46.056 45.100 0.029 0.000 0.767 511 G HN 0.131 nan 8.290 nan 0.000 0.571 512 L N -0.217 121.017 121.223 0.019 0.000 2.093 512 L HA -0.012 4.327 4.340 -0.001 0.000 0.208 512 L C 2.996 179.868 176.870 0.003 0.000 1.085 512 L CA 0.939 55.783 54.840 0.007 0.000 0.755 512 L CB -0.231 41.837 42.059 0.015 0.000 0.904 512 L HN 0.178 nan 8.230 nan 0.000 0.435 513 R N -0.027 120.478 120.500 0.007 0.000 2.299 513 R HA 0.095 4.434 4.340 -0.001 0.000 0.197 513 R C 1.344 177.648 176.300 0.006 0.000 0.971 513 R CA 0.651 56.754 56.100 0.005 0.000 1.030 513 R CB -0.003 30.301 30.300 0.006 0.000 0.932 513 R HN 0.464 nan 8.270 nan 0.000 0.477 514 G N 1.249 110.054 108.800 0.009 0.000 2.157 514 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.239 514 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.239 514 G C -0.045 174.863 174.900 0.013 0.000 0.982 514 G CA -0.127 44.980 45.100 0.010 0.000 0.650 514 G HN 0.366 nan 8.290 nan 0.000 0.527 515 E N 0.059 120.268 120.200 0.014 0.000 2.376 515 E HA 0.542 4.891 4.350 -0.001 0.000 0.254 515 E C 0.834 177.446 176.600 0.020 0.000 1.213 515 E CA -0.105 56.304 56.400 0.015 0.000 0.945 515 E CB 0.634 30.342 29.700 0.014 0.000 1.057 515 E HN 0.663 nan 8.360 nan 0.000 0.479 516 A N 1.448 124.280 122.820 0.020 0.000 2.438 516 A HA 0.209 4.528 4.320 -0.001 0.000 0.280 516 A C -0.004 177.600 177.584 0.033 0.000 1.160 516 A CA 0.274 52.326 52.037 0.024 0.000 0.821 516 A CB 0.115 19.127 19.000 0.019 0.000 1.101 516 A HN 0.314 nan 8.150 nan 0.000 0.515 517 S N 1.159 116.884 115.700 0.043 0.000 2.599 517 S HA 0.540 5.009 4.470 -0.001 0.000 0.287 517 S C 1.059 175.705 174.600 0.077 0.000 1.105 517 S CA 0.074 58.312 58.200 0.062 0.000 0.899 517 S CB 1.465 64.702 63.200 0.061 0.000 1.100 517 S HN 1.176 nan 8.310 nan 0.000 0.482 518 S N 2.049 117.817 115.700 0.113 0.000 2.528 518 S HA 0.316 4.786 4.470 -0.001 0.000 0.219 518 S C 0.334 175.032 174.600 0.164 0.000 0.985 518 S CA -0.179 58.099 58.200 0.129 0.000 0.914 518 S CB -0.546 62.729 63.200 0.125 0.000 0.776 518 S HN 0.574 nan 8.310 nan 0.000 0.526 519 L N 1.582 122.896 121.223 0.151 0.000 2.265 519 L HA 0.560 4.900 4.340 -0.001 0.000 0.288 519 L C 1.890 178.812 176.870 0.087 0.000 1.058 519 L CA -0.538 54.377 54.840 0.125 0.000 0.809 519 L CB 0.980 43.090 42.059 0.084 0.000 1.179 519 L HN 0.248 nan 8.230 nan 0.000 0.429 520 R N 3.541 124.089 120.500 0.081 0.000 2.115 520 R HA -0.025 4.314 4.340 -0.001 0.000 0.230 520 R C 1.098 177.419 176.300 0.036 0.000 1.111 520 R CA 0.921 57.054 56.100 0.055 0.000 0.976 520 R CB -0.592 29.740 30.300 0.052 0.000 0.870 520 R HN 0.786 nan 8.270 nan 0.000 0.445 521 M N -0.545 119.074 119.600 0.032 0.000 2.350 521 M HA -0.125 4.354 4.480 -0.001 0.000 0.190 521 M C -0.958 175.327 176.300 -0.024 0.000 0.710 521 M CA 0.289 55.591 55.300 0.004 0.000 0.495 521 M CB -2.351 30.258 32.600 0.015 0.000 1.136 521 M HN 0.329 nan 8.290 nan 0.000 0.901 522 L N 1.955 123.165 121.223 -0.022 0.000 2.361 522 L HA 0.315 4.654 4.340 -0.001 0.000 0.278 522 L C -1.590 175.254 176.870 -0.042 0.000 1.113 522 L CA -1.707 53.125 54.840 -0.013 0.000 0.849 522 L CB 0.414 42.477 42.059 0.007 0.000 1.155 522 L HN 0.082 nan 8.230 nan 0.000 0.452 523 P HA 0.027 nan 4.420 nan 0.000 0.268 523 P C 0.566 177.888 177.300 0.035 0.000 1.204 523 P CA -0.107 62.940 63.100 -0.089 0.000 0.768 523 P CB 0.800 32.414 31.700 -0.142 0.000 0.842 524 T N -0.853 113.690 114.554 -0.018 0.000 3.040 524 T HA 0.154 4.503 4.350 -0.001 0.000 0.250 524 T C 0.600 175.428 174.700 0.213 0.000 1.058 524 T CA -0.136 62.012 62.100 0.081 0.000 0.988 524 T CB -0.851 68.012 68.868 -0.007 0.000 0.993 524 T HN 0.184 nan 8.240 nan 0.000 0.519 525 F N 0.504 120.421 119.950 -0.055 0.000 3.093 525 F HA -0.157 4.369 4.527 -0.001 0.000 0.287 525 F C -0.096 175.680 175.800 -0.040 0.000 0.882 525 F CA 0.009 57.983 58.000 -0.043 0.000 1.063 525 F CB -2.121 36.859 39.000 -0.033 0.000 1.097 525 F HN 0.120 nan 8.300 nan 0.000 0.604 526 V N 1.211 121.140 119.914 0.025 0.000 2.294 526 V HA 0.252 4.372 4.120 -0.001 0.000 0.272 526 V C 1.170 177.237 176.094 -0.046 0.000 1.027 526 V CA -0.376 61.924 62.300 -0.000 0.000 0.823 526 V CB 1.429 33.242 31.823 -0.016 0.000 1.030 526 V HN 0.230 nan 8.190 nan 0.000 0.457 527 R N 2.942 123.424 120.500 -0.030 0.000 2.334 527 R HA 0.589 4.928 4.340 -0.001 0.000 0.216 527 R C 0.371 176.649 176.300 -0.036 0.000 0.905 527 R CA 0.336 56.405 56.100 -0.050 0.000 1.064 527 R CB 0.752 31.030 30.300 -0.036 0.000 1.046 527 R HN 0.659 nan 8.270 nan 0.000 0.508 528 A N 0.620 123.425 122.820 -0.025 0.000 2.577 528 A HA 0.337 4.656 4.320 -0.001 0.000 0.297 528 A C -0.170 177.407 177.584 -0.013 0.000 1.060 528 A CA -0.838 51.189 52.037 -0.018 0.000 0.697 528 A CB 0.974 19.969 19.000 -0.008 0.000 1.281 528 A HN 0.141 nan 8.150 nan 0.000 0.402 529 T N -0.012 114.535 114.554 -0.012 0.000 2.813 529 T HA 0.531 4.880 4.350 -0.001 0.000 0.297 529 T C -2.400 172.305 174.700 0.007 0.000 1.036 529 T CA -1.179 60.919 62.100 -0.004 0.000 1.044 529 T CB -0.229 68.636 68.868 -0.006 0.000 0.993 529 T HN 0.355 nan 8.240 nan 0.000 0.535 530 P HA 0.173 nan 4.420 nan 0.000 0.251 530 P C -0.136 177.178 177.300 0.023 0.000 1.154 530 P CA 0.872 63.998 63.100 0.044 0.000 0.805 530 P CB -0.693 31.064 31.700 0.096 0.000 0.759 531 D N 3.918 124.332 120.400 0.023 0.000 2.453 531 D HA 0.438 5.078 4.640 -0.001 0.000 0.223 531 D C 1.337 177.647 176.300 0.018 0.000 1.183 531 D CA 0.130 54.138 54.000 0.014 0.000 0.933 531 D CB -0.231 40.578 40.800 0.014 0.000 1.038 531 D HN 0.581 nan 8.370 nan 0.000 0.513 532 G N 0.660 109.461 108.800 0.002 0.000 2.622 532 G HA2 0.186 4.145 3.960 -0.001 0.000 0.307 532 G HA3 0.186 4.145 3.960 -0.001 0.000 0.307 532 G C 1.081 175.997 174.900 0.027 0.000 1.226 532 G CA 0.712 45.811 45.100 -0.001 0.000 0.997 532 G HN 1.840 nan 8.290 nan 0.000 0.551 533 S N 0.626 116.350 115.700 0.039 0.000 2.513 533 S HA 0.640 5.109 4.470 -0.001 0.000 0.276 533 S C 0.123 174.774 174.600 0.083 0.000 1.254 533 S CA 0.794 59.035 58.200 0.069 0.000 1.053 533 S CB 0.453 63.687 63.200 0.056 0.000 0.958 533 S HN 0.724 nan 8.310 nan 0.000 0.491 534 E N 1.318 121.588 120.200 0.117 0.000 2.642 534 E HA 0.451 4.800 4.350 -0.001 0.000 0.284 534 E C 0.204 176.905 176.600 0.167 0.000 1.039 534 E CA -0.584 55.890 56.400 0.124 0.000 0.777 534 E CB 0.978 30.742 29.700 0.106 0.000 1.473 534 E HN 0.778 nan 8.360 nan 0.000 0.388 535 R N 1.092 121.686 120.500 0.157 0.000 2.580 535 R HA 0.903 5.242 4.340 -0.001 0.000 0.267 535 R C 0.575 177.007 176.300 0.221 0.000 1.125 535 R CA 0.197 56.394 56.100 0.162 0.000 1.188 535 R CB 0.542 30.896 30.300 0.090 0.000 1.155 535 R HN 0.738 nan 8.270 nan 0.000 0.586 536 G N -2.277 106.585 108.800 0.103 0.000 2.317 536 G HA2 0.459 4.418 3.960 -0.001 0.000 0.445 536 G HA3 0.459 4.418 3.960 -0.001 0.000 0.445 536 G C -1.079 173.561 174.900 -0.432 0.000 1.486 536 G CA 0.108 45.052 45.100 -0.260 0.000 0.991 536 G HN 1.290 nan 8.290 nan 0.000 0.660 537 D N -0.096 119.902 120.400 -0.670 0.000 2.381 537 D HA 0.773 5.413 4.640 -0.001 0.000 0.235 537 D C -0.595 175.348 176.300 -0.595 0.000 1.068 537 D CA -0.433 53.329 54.000 -0.396 0.000 0.832 537 D CB 0.985 41.671 40.800 -0.191 0.000 1.101 537 D HN 0.656 nan 8.370 nan 0.000 0.515 538 F N 0.650 120.614 119.950 0.023 0.000 2.551 538 F HA 0.607 5.133 4.527 -0.001 0.000 0.316 538 F C 0.407 176.227 175.800 0.033 0.000 1.089 538 F CA -1.183 56.832 58.000 0.025 0.000 0.915 538 F CB 2.162 41.172 39.000 0.018 0.000 1.186 538 F HN 0.467 nan 8.300 nan 0.000 0.456 539 L N 2.294 123.640 121.223 0.204 0.000 2.421 539 L HA 0.905 5.244 4.340 -0.001 0.000 0.263 539 L C -0.173 176.755 176.870 0.096 0.000 1.122 539 L CA -0.338 54.581 54.840 0.132 0.000 0.804 539 L CB 0.966 43.084 42.059 0.098 0.000 1.150 539 L HN 0.962 nan 8.230 nan 0.000 0.457 540 A N 3.737 126.558 122.820 0.002 0.000 2.465 540 A HA 0.707 5.026 4.320 -0.001 0.000 0.292 540 A C -1.229 176.292 177.584 -0.106 0.000 1.041 540 A CA -0.538 51.486 52.037 -0.022 0.000 0.718 540 A CB 1.122 20.119 19.000 -0.004 0.000 1.266 540 A HN 0.831 nan 8.150 nan 0.000 0.403 541 L N 1.454 122.626 121.223 -0.085 0.000 2.343 541 L HA 0.606 4.945 4.340 -0.001 0.000 0.275 541 L C -0.615 176.330 176.870 0.124 0.000 1.056 541 L CA -0.613 54.171 54.840 -0.093 0.000 0.804 541 L CB 1.721 43.517 42.059 -0.437 0.000 1.203 541 L HN 0.730 nan 8.230 nan 0.000 0.440 542 D N 2.978 123.483 120.400 0.175 0.000 2.336 542 D HA 0.371 5.010 4.640 -0.001 0.000 0.248 542 D C -1.667 174.885 176.300 0.420 0.000 1.326 542 D CA -0.290 53.854 54.000 0.239 0.000 0.973 542 D CB 1.366 42.208 40.800 0.071 0.000 1.255 542 D HN 0.140 nan 8.370 nan 0.000 0.558 543 L N 2.478 124.014 121.223 0.522 0.000 2.365 543 L HA 0.832 5.171 4.340 -0.001 0.000 0.273 543 L C 1.006 177.990 176.870 0.191 0.000 1.000 543 L CA 0.464 55.608 54.840 0.507 0.000 0.819 543 L CB 1.920 44.359 42.059 0.633 0.000 1.284 543 L HN 0.540 nan 8.230 nan 0.000 0.418 544 G N 2.312 111.185 108.800 0.121 0.000 2.255 544 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.196 544 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.196 544 G C 0.348 175.199 174.900 -0.082 0.000 0.998 544 G CA -0.125 44.850 45.100 -0.209 0.000 0.656 544 G HN 1.144 nan 8.290 nan 0.000 0.490 545 G N -0.337 108.486 108.800 0.039 0.000 2.532 545 G HA2 0.540 4.500 3.960 -0.001 0.000 0.291 545 G HA3 0.540 4.500 3.960 -0.001 0.000 0.291 545 G C 1.414 176.387 174.900 0.123 0.000 1.349 545 G CA 1.112 46.242 45.100 0.049 0.000 1.038 545 G HN 1.032 nan 8.290 nan 0.000 0.518 546 T N -1.818 112.785 114.554 0.082 0.000 2.803 546 T HA -0.072 4.277 4.350 -0.001 0.000 0.269 546 T C 0.746 175.511 174.700 0.108 0.000 1.052 546 T CA 0.889 63.038 62.100 0.082 0.000 1.136 546 T CB -0.167 68.730 68.868 0.048 0.000 0.864 546 T HN 0.255 nan 8.240 nan 0.000 0.467 547 N N 0.918 119.686 118.700 0.114 0.000 2.342 547 N HA 0.454 5.193 4.740 -0.001 0.000 0.293 547 N C -1.752 173.887 175.510 0.216 0.000 1.026 547 N CA -0.708 52.421 53.050 0.132 0.000 0.857 547 N CB 1.695 40.217 38.487 0.058 0.000 1.256 547 N HN 0.274 nan 8.380 nan 0.000 0.484 548 F N 2.393 122.417 119.950 0.122 0.000 2.404 548 F HA 0.497 5.023 4.527 -0.001 0.000 0.345 548 F C 0.054 175.928 175.800 0.123 0.000 1.110 548 F CA -0.668 57.421 58.000 0.149 0.000 1.130 548 F CB 0.724 39.845 39.000 0.201 0.000 1.129 548 F HN 0.327 nan 8.300 nan 0.000 0.500 549 R N 5.157 125.246 120.500 -0.686 0.000 2.604 549 R HA 0.648 4.987 4.340 -0.001 0.000 0.281 549 R C -2.091 173.772 176.300 -0.728 0.000 1.020 549 R CA -0.754 54.976 56.100 -0.618 0.000 0.899 549 R CB 2.080 32.212 30.300 -0.281 0.000 1.205 549 R HN 0.599 nan 8.270 nan 0.000 0.450 550 V N 5.346 124.854 119.914 -0.677 0.000 2.532 550 V HA 0.565 4.684 4.120 -0.001 0.000 0.295 550 V C -0.350 175.153 176.094 -0.984 0.000 1.041 550 V CA -0.634 61.205 62.300 -0.768 0.000 0.926 550 V CB 1.614 32.963 31.823 -0.789 0.000 0.992 550 V HN 0.604 nan 8.190 nan 0.000 0.457 551 L N 4.020 124.804 121.223 -0.732 0.000 2.455 551 L HA 0.770 5.109 4.340 -0.001 0.000 0.264 551 L C -0.380 176.455 176.870 -0.058 0.000 0.968 551 L CA -0.456 54.168 54.840 -0.361 0.000 0.827 551 L CB 1.880 43.840 42.059 -0.165 0.000 1.317 551 L HN 0.623 nan 8.230 nan 0.000 0.407 552 L N 2.662 124.017 121.223 0.220 0.000 2.296 552 L HA 0.929 5.269 4.340 -0.001 0.000 0.286 552 L C -0.453 176.505 176.870 0.147 0.000 1.023 552 L CA -0.641 54.346 54.840 0.245 0.000 0.812 552 L CB 1.527 43.763 42.059 0.295 0.000 1.223 552 L HN 0.400 nan 8.230 nan 0.000 0.421 553 V N 3.486 123.488 119.914 0.146 0.000 2.376 553 V HA 0.519 4.638 4.120 -0.001 0.000 0.287 553 V C 0.199 176.397 176.094 0.173 0.000 1.015 553 V CA -0.747 61.632 62.300 0.131 0.000 0.834 553 V CB 1.065 32.957 31.823 0.114 0.000 1.001 553 V HN 0.921 nan 8.190 nan 0.000 0.428 554 R N 3.318 123.880 120.500 0.103 0.000 2.215 554 R HA 0.586 4.925 4.340 -0.001 0.000 0.337 554 R C -1.084 175.267 176.300 0.085 0.000 1.010 554 R CA -0.407 55.743 56.100 0.083 0.000 0.871 554 R CB 1.790 32.115 30.300 0.041 0.000 1.134 554 R HN 0.544 nan 8.270 nan 0.000 0.477 555 V N 3.961 123.961 119.914 0.143 0.000 2.350 555 V HA 0.289 4.408 4.120 -0.001 0.000 0.276 555 V C 0.811 176.975 176.094 0.116 0.000 1.028 555 V CA -0.281 62.096 62.300 0.128 0.000 0.860 555 V CB 1.146 33.087 31.823 0.196 0.000 0.990 555 V HN 0.956 nan 8.190 nan 0.000 0.453 556 T N 0.956 115.568 114.554 0.097 0.000 2.352 556 T HA 0.392 4.741 4.350 -0.001 0.000 0.186 556 T C 1.651 176.415 174.700 0.108 0.000 0.706 556 T CA 0.549 62.701 62.100 0.086 0.000 1.355 556 T CB 0.250 69.153 68.868 0.058 0.000 2.156 556 T HN 0.499 nan 8.240 nan 0.000 0.441 557 T N 0.492 115.099 114.554 0.089 0.000 2.708 557 T HA 0.443 4.792 4.350 -0.001 0.000 0.266 557 T C 1.169 175.956 174.700 0.146 0.000 1.037 557 T CA 1.487 63.645 62.100 0.096 0.000 1.146 557 T CB -1.160 67.747 68.868 0.065 0.000 0.865 557 T HN 0.923 nan 8.240 nan 0.000 0.435 558 G N -0.846 108.031 108.800 0.129 0.000 2.820 558 G HA2 0.564 4.524 3.960 -0.001 0.000 0.291 558 G HA3 0.564 4.524 3.960 -0.001 0.000 0.291 558 G C -1.370 173.584 174.900 0.090 0.000 1.323 558 G CA -0.258 44.933 45.100 0.153 0.000 1.055 558 G HN 0.284 nan 8.290 nan 0.000 0.520 559 V N -0.035 119.892 119.914 0.022 0.000 2.487 559 V HA 0.744 4.863 4.120 -0.001 0.000 0.298 559 V C 0.068 176.147 176.094 -0.026 0.000 1.028 559 V CA -0.434 61.823 62.300 -0.072 0.000 0.860 559 V CB 0.794 32.444 31.823 -0.289 0.000 0.991 559 V HN 1.178 nan 8.190 nan 0.000 0.427 560 Q N 4.701 124.499 119.800 -0.003 0.000 2.310 560 Q HA 0.818 5.157 4.340 -0.001 0.000 0.270 560 Q C -1.127 174.887 176.000 0.022 0.000 1.025 560 Q CA -0.407 55.404 55.803 0.013 0.000 0.772 560 Q CB 2.071 30.822 28.738 0.022 0.000 1.253 560 Q HN 0.794 nan 8.270 nan 0.000 0.450 561 I N 2.083 122.666 120.570 0.021 0.000 2.436 561 I HA 0.568 4.737 4.170 -0.001 0.000 0.289 561 I C -0.230 175.919 176.117 0.053 0.000 1.010 561 I CA -0.827 60.494 61.300 0.035 0.000 1.098 561 I CB 2.684 40.691 38.000 0.011 0.000 1.266 561 I HN 0.663 nan 8.210 nan 0.000 0.434 562 T N 3.750 118.364 114.554 0.100 0.000 2.912 562 T HA 0.728 5.077 4.350 -0.001 0.000 0.288 562 T C -0.348 174.483 174.700 0.218 0.000 1.030 562 T CA -0.718 61.466 62.100 0.139 0.000 1.020 562 T CB 1.872 70.824 68.868 0.140 0.000 1.056 562 T HN 0.754 nan 8.240 nan 0.000 0.480 563 S N 0.722 116.547 115.700 0.209 0.000 2.643 563 S HA 0.735 5.204 4.470 -0.001 0.000 0.270 563 S C -1.884 172.799 174.600 0.138 0.000 1.166 563 S CA -0.948 57.321 58.200 0.115 0.000 0.815 563 S CB 2.402 65.576 63.200 -0.043 0.000 1.139 563 S HN 0.834 nan 8.310 nan 0.000 0.472 564 E N 0.334 120.495 120.200 -0.066 0.000 2.347 564 E HA 0.473 4.823 4.350 -0.001 0.000 0.285 564 E C -1.510 174.824 176.600 -0.442 0.000 0.925 564 E CA -0.693 55.595 56.400 -0.186 0.000 0.779 564 E CB 1.536 31.185 29.700 -0.086 0.000 1.233 564 E HN 0.717 nan 8.360 nan 0.000 0.414 565 I N 3.638 123.967 120.570 -0.402 0.000 2.532 565 I HA 0.305 4.474 4.170 -0.001 0.000 0.292 565 I C -0.741 175.085 176.117 -0.485 0.000 1.014 565 I CA -0.352 60.750 61.300 -0.331 0.000 1.340 565 I CB 0.576 38.491 38.000 -0.141 0.000 1.422 565 I HN 0.479 nan 8.210 nan 0.000 0.528 566 Y N 2.497 122.803 120.300 0.009 0.000 2.545 566 Y HA 0.533 5.082 4.550 -0.002 0.000 0.348 566 Y C 0.562 176.623 175.900 0.268 0.000 1.002 566 Y CA -0.829 57.365 58.100 0.157 0.000 1.039 566 Y CB 1.533 40.124 38.460 0.218 0.000 1.271 566 Y HN 0.595 nan 8.280 nan 0.000 0.467 567 S N 2.156 118.103 115.700 0.413 0.000 2.537 567 S HA 0.714 5.184 4.470 -0.001 0.000 0.275 567 S C -0.446 174.322 174.600 0.281 0.000 1.272 567 S CA -0.406 57.960 58.200 0.277 0.000 1.050 567 S CB -0.064 63.239 63.200 0.171 0.000 0.961 567 S HN 0.577 nan 8.310 nan 0.000 0.496 568 I N 4.515 125.164 120.570 0.133 0.000 2.563 568 I HA 0.240 4.409 4.170 -0.001 0.000 0.276 568 I C -2.392 173.649 176.117 -0.127 0.000 1.074 568 I CA -1.580 59.698 61.300 -0.037 0.000 1.124 568 I CB 1.604 39.595 38.000 -0.015 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 -0.223 0.000 1.223 569 P CA 0.026 63.032 63.100 -0.155 0.000 0.785 569 P CB 0.716 32.335 31.700 -0.135 0.000 0.923 570 E N 0.542 120.620 120.200 -0.203 0.000 2.147 570 E HA -0.245 4.104 4.350 -0.001 0.000 0.199 570 E C 1.715 178.175 176.600 -0.233 0.000 1.005 570 E CA 2.500 58.756 56.400 -0.239 0.000 0.810 570 E CB -1.932 27.666 29.700 -0.169 0.000 0.736 570 E HN 0.626 nan 8.360 nan 0.000 0.460 571 T N 0.305 114.750 114.554 -0.181 0.000 2.635 571 T HA -0.175 4.174 4.350 -0.001 0.000 0.267 571 T C 2.166 176.750 174.700 -0.193 0.000 1.040 571 T CA 2.055 64.059 62.100 -0.159 0.000 1.156 571 T CB -0.452 68.338 68.868 -0.129 0.000 0.863 571 T HN 0.346 nan 8.240 nan 0.000 0.430 572 V N 1.473 121.246 119.914 -0.235 0.000 2.453 572 V HA -0.039 4.080 4.120 -0.001 0.000 0.247 572 V C 2.867 178.773 176.094 -0.313 0.000 1.048 572 V CA 1.380 63.526 62.300 -0.258 0.000 1.049 572 V CB -1.188 30.438 31.823 -0.327 0.000 0.672 572 V HN 0.532 nan 8.190 nan 0.000 0.457 573 A N -0.485 122.072 122.820 -0.438 0.000 1.972 573 A HA -0.215 4.104 4.320 -0.001 0.000 0.219 573 A C 2.022 179.238 177.584 -0.612 0.000 1.169 573 A CA 1.609 53.204 52.037 -0.736 0.000 0.635 573 A CB -0.283 18.049 19.000 -1.113 0.000 0.810 573 A HN 0.656 nan 8.150 nan 0.000 0.446 574 Q N -0.861 118.697 119.800 -0.403 0.000 2.179 574 Q HA 0.250 4.589 4.340 -0.001 0.000 0.213 574 Q C 1.197 177.086 176.000 -0.186 0.000 0.833 574 Q CA 0.055 55.684 55.803 -0.290 0.000 0.990 574 Q CB 0.766 29.375 28.738 -0.216 0.000 1.132 574 Q HN 0.575 nan 8.270 nan 0.000 0.493 575 G N 1.354 110.048 108.800 -0.176 0.000 3.022 575 G HA2 0.124 4.083 3.960 -0.001 0.000 0.157 575 G HA3 0.124 4.083 3.960 -0.001 0.000 0.157 575 G C 0.031 174.899 174.900 -0.053 0.000 1.691 575 G CA -0.070 44.968 45.100 -0.102 0.000 1.079 575 G HN 0.276 nan 8.290 nan 0.000 0.549 576 S N -0.815 114.874 115.700 -0.018 0.000 2.541 576 S HA 0.511 4.980 4.470 -0.001 0.000 0.283 576 S C 1.385 176.040 174.600 0.091 0.000 1.196 576 S CA 0.246 58.468 58.200 0.038 0.000 1.062 576 S CB 1.464 64.687 63.200 0.037 0.000 1.009 576 S HN 0.893 nan 8.310 nan 0.000 0.502 577 G N 1.474 110.373 108.800 0.165 0.000 2.469 577 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.219 577 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.219 577 G C 1.601 176.687 174.900 0.310 0.000 1.150 577 G CA 1.365 46.648 45.100 0.304 0.000 0.763 577 G HN 1.096 nan 8.290 nan 0.000 0.561 578 Q N -0.958 118.949 119.800 0.178 0.000 2.045 578 Q HA -0.169 4.170 4.340 -0.001 0.000 0.206 578 Q C 2.729 178.820 176.000 0.153 0.000 0.991 578 Q CA 3.464 59.355 55.803 0.146 0.000 0.851 578 Q CB -1.472 27.316 28.738 0.083 0.000 0.911 578 Q HN 0.799 nan 8.270 nan 0.000 0.418 579 Q N -0.165 119.697 119.800 0.103 0.000 2.084 579 Q HA 0.067 4.406 4.340 -0.001 0.000 0.202 579 Q C 2.392 178.435 176.000 0.072 0.000 0.978 579 Q CA 1.876 57.719 55.803 0.067 0.000 0.844 579 Q CB -0.814 27.931 28.738 0.012 0.000 0.898 579 Q HN 0.788 nan 8.270 nan 0.000 0.426 580 L N -0.640 120.623 121.223 0.067 0.000 1.970 580 L HA -0.053 4.286 4.340 -0.001 0.000 0.212 580 L C 2.347 179.182 176.870 -0.057 0.000 1.071 580 L CA 2.311 57.132 54.840 -0.032 0.000 0.751 580 L CB -0.784 41.239 42.059 -0.059 0.000 0.889 580 L HN 0.493 nan 8.230 nan 0.000 0.432 581 F N -0.443 119.561 119.950 0.089 0.000 2.325 581 F HA -0.106 4.420 4.527 -0.001 0.000 0.299 581 F C 2.163 177.994 175.800 0.053 0.000 1.090 581 F CA 0.849 58.897 58.000 0.080 0.000 1.392 581 F CB -0.509 38.546 39.000 0.092 0.000 1.053 581 F HN 0.167 nan 8.300 nan 0.000 0.521 582 D N -0.789 119.738 120.400 0.212 0.000 2.092 582 D HA -0.232 4.407 4.640 -0.001 0.000 0.193 582 D C 2.024 178.382 176.300 0.095 0.000 0.994 582 D CA 1.603 55.681 54.000 0.130 0.000 0.828 582 D CB -0.522 40.343 40.800 0.108 0.000 0.963 582 D HN 0.271 nan 8.370 nan 0.000 0.450 583 H N 0.164 119.225 119.070 -0.015 0.000 2.319 583 H HA -0.029 4.527 4.556 -0.001 0.000 0.299 583 H C 2.122 177.400 175.328 -0.084 0.000 1.092 583 H CA 1.364 57.378 56.048 -0.057 0.000 1.302 583 H CB -0.374 29.335 29.762 -0.088 0.000 1.373 583 H HN 0.102 nan 8.280 nan 0.000 0.497 584 I N -0.408 120.097 120.570 -0.108 0.000 2.163 584 I HA -0.286 3.883 4.170 -0.001 0.000 0.243 584 I C 2.892 178.975 176.117 -0.057 0.000 1.085 584 I CA 1.360 62.566 61.300 -0.156 0.000 1.347 584 I CB -0.641 37.249 38.000 -0.184 0.000 1.044 584 I HN 0.390 nan 8.210 nan 0.000 0.408 585 V N 0.423 120.331 119.914 -0.009 0.000 2.295 585 V HA -0.341 3.778 4.120 -0.001 0.000 0.246 585 V C 2.145 178.204 176.094 -0.059 0.000 1.049 585 V CA 2.729 65.028 62.300 -0.001 0.000 1.024 585 V CB -0.731 31.116 31.823 0.040 0.000 0.648 585 V HN 0.237 nan 8.190 nan 0.000 0.447 586 D N -0.234 120.109 120.400 -0.094 0.000 2.149 586 D HA -0.193 4.446 4.640 -0.001 0.000 0.194 586 D C 2.201 178.369 176.300 -0.219 0.000 1.001 586 D CA 2.072 55.994 54.000 -0.130 0.000 0.849 586 D CB -0.420 40.296 40.800 -0.140 0.000 0.939 586 D HN 0.670 nan 8.370 nan 0.000 0.449 587 C N 0.434 119.506 119.300 -0.380 0.000 2.429 587 C HA -0.059 4.401 4.460 -0.001 0.000 0.277 587 C C 2.902 177.700 174.990 -0.319 0.000 1.262 587 C CA -0.120 58.493 59.018 -0.676 0.000 1.733 587 C CB -0.996 26.196 27.740 -0.913 0.000 2.010 587 C HN 0.330 nan 8.230 nan 0.000 0.483 588 I N 1.195 121.685 120.570 -0.133 0.000 2.142 588 I HA -0.176 3.993 4.170 -0.001 0.000 0.240 588 I C 2.768 178.925 176.117 0.067 0.000 1.078 588 I CA 2.012 63.315 61.300 0.005 0.000 1.343 588 I CB -0.851 37.150 38.000 0.003 0.000 1.046 588 I HN 0.318 nan 8.210 nan 0.000 0.405 589 V N 0.661 120.583 119.914 0.014 0.000 2.282 589 V HA -0.383 3.736 4.120 -0.001 0.000 0.249 589 V C 2.324 178.443 176.094 0.041 0.000 1.057 589 V CA 2.893 65.207 62.300 0.023 0.000 1.032 589 V CB -0.784 31.040 31.823 0.001 0.000 0.645 589 V HN 0.468 nan 8.190 nan 0.000 0.447 590 D N -1.108 119.308 120.400 0.027 0.000 2.087 590 D HA -0.235 4.404 4.640 -0.001 0.000 0.192 590 D C 2.067 178.461 176.300 0.157 0.000 0.993 590 D CA 1.980 56.026 54.000 0.077 0.000 0.828 590 D CB -0.019 40.822 40.800 0.068 0.000 0.968 590 D HN 0.550 nan 8.370 nan 0.000 0.448 591 F N 1.496 121.492 119.950 0.077 0.000 2.046 591 F HA -0.204 4.322 4.527 -0.001 0.000 0.297 591 F C 2.791 178.617 175.800 0.044 0.000 1.123 591 F CA 1.850 59.914 58.000 0.107 0.000 1.199 591 F CB -0.550 38.522 39.000 0.119 0.000 0.972 591 F HN 0.020 nan 8.300 nan 0.000 0.474 592 Q N -0.493 119.391 119.800 0.140 0.000 2.077 592 Q HA -0.340 3.999 4.340 -0.001 0.000 0.206 592 Q C 2.450 178.415 176.000 -0.059 0.000 0.989 592 Q CA 2.637 58.453 55.803 0.022 0.000 0.853 592 Q CB -0.735 28.044 28.738 0.069 0.000 0.907 592 Q HN 0.715 nan 8.270 nan 0.000 0.418 593 Q N 1.368 121.153 119.800 -0.025 0.000 2.124 593 Q HA -0.201 4.139 4.340 -0.001 0.000 0.202 593 Q C 1.728 177.687 176.000 -0.069 0.000 0.977 593 Q CA 1.953 57.736 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 0.357 nan 8.270 nan 0.000 0.429 594 K N -0.564 119.774 120.400 -0.104 0.000 2.296 594 K HA 0.015 4.334 4.320 -0.001 0.000 0.200 594 K C 2.551 179.021 176.600 -0.216 0.000 1.048 594 K CA 1.212 57.415 56.287 -0.140 0.000 0.966 594 K CB 0.330 32.750 32.500 -0.133 0.000 0.754 594 K HN 0.589 nan 8.250 nan 0.000 0.466 595 Q N -0.072 119.546 119.800 -0.303 0.000 2.356 595 Q HA 0.199 4.538 4.340 -0.001 0.000 0.205 595 Q C 1.310 177.215 176.000 -0.159 0.000 0.901 595 Q CA 0.754 56.378 55.803 -0.298 0.000 0.938 595 Q CB 0.179 28.636 28.738 -0.468 0.000 1.081 595 Q HN 0.433 nan 8.270 nan 0.000 0.517 596 G N -2.083 106.648 108.800 -0.116 0.000 2.179 596 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.260 596 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.260 596 G C 1.448 176.316 174.900 -0.054 0.000 0.977 596 G CA 1.339 46.397 45.100 -0.070 0.000 0.641 596 G HN 1.551 nan 8.290 nan 0.000 0.533 597 L N -1.672 119.515 121.223 -0.059 0.000 1.989 597 L HA 0.392 4.731 4.340 -0.001 0.000 0.211 597 L C 3.273 180.134 176.870 -0.015 0.000 1.071 597 L CA 3.921 58.745 54.840 -0.027 0.000 0.749 597 L CB -1.747 40.311 42.059 -0.002 0.000 0.890 597 L HN 2.615 nan 8.230 nan 0.000 0.431 598 S N -1.489 114.203 115.700 -0.013 0.000 4.155 598 S HA -0.331 4.138 4.470 -0.001 0.000 0.539 598 S C 2.658 177.258 174.600 -0.000 0.000 1.841 598 S CA 2.750 60.945 58.200 -0.007 0.000 4.215 598 S CB -2.066 61.126 63.200 -0.014 0.000 0.531 598 S HN 2.144 nan 8.310 nan 0.000 0.461 599 G N 0.708 109.506 108.800 -0.004 0.000 2.403 599 G HA2 0.384 4.343 3.960 -0.001 0.000 0.216 599 G HA3 0.384 4.343 3.960 -0.001 0.000 0.216 599 G C 1.107 176.006 174.900 -0.001 0.000 1.154 599 G CA 2.030 47.129 45.100 -0.002 0.000 0.784 599 G HN 2.026 nan 8.290 nan 0.000 0.538 600 Q N 0.878 120.675 119.800 -0.005 0.000 2.242 600 Q HA 0.440 4.779 4.340 -0.001 0.000 0.284 600 Q C 0.578 176.579 176.000 0.001 0.000 1.130 600 Q CA 0.404 56.203 55.803 -0.007 0.000 0.940 600 Q CB -0.566 28.163 28.738 -0.014 0.000 1.146 600 Q HN 0.863 nan 8.270 nan 0.000 0.388 601 S N 0.368 116.069 115.700 0.001 0.000 2.409 601 S HA 0.652 5.121 4.470 -0.001 0.000 0.308 601 S C 0.222 174.826 174.600 0.007 0.000 1.080 601 S CA 0.044 58.250 58.200 0.010 0.000 1.081 601 S CB -0.308 62.898 63.200 0.011 0.000 1.009 601 S HN 1.708 nan 8.310 nan 0.000 0.502 602 L N 3.071 124.302 121.223 0.014 0.000 2.439 602 L HA 0.892 5.231 4.340 -0.001 0.000 0.259 602 L C -2.441 174.453 176.870 0.041 0.000 1.129 602 L CA -2.686 52.156 54.840 0.004 0.000 0.803 602 L CB -0.780 41.280 42.059 0.002 0.000 1.161 602 L HN 0.606 nan 8.230 nan 0.000 0.462 603 P HA 0.434 nan 4.420 nan 0.000 0.271 603 P C -0.640 176.783 177.300 0.205 0.000 1.226 603 P CA 0.120 63.308 63.100 0.147 0.000 0.765 603 P CB 0.615 32.457 31.700 0.237 0.000 0.835 604 L N 3.172 124.484 121.223 0.149 0.000 2.312 604 L HA 0.638 4.977 4.340 -0.001 0.000 0.281 604 L C 0.575 177.529 176.870 0.140 0.000 1.070 604 L CA -0.217 54.698 54.840 0.124 0.000 0.805 604 L CB 0.834 42.931 42.059 0.064 0.000 1.174 604 L HN 0.450 nan 8.230 nan 0.000 0.434 605 G N 4.046 112.917 108.800 0.118 0.000 2.800 605 G HA2 0.238 4.197 3.960 -0.001 0.000 0.340 605 G HA3 0.238 4.197 3.960 -0.001 0.000 0.340 605 G C -0.946 174.060 174.900 0.177 0.000 1.089 605 G CA -0.329 44.831 45.100 0.100 0.000 1.144 605 G HN 0.393 nan 8.290 nan 0.000 0.461 606 F N 3.628 123.620 119.950 0.071 0.000 2.439 606 F HA 0.340 4.866 4.527 -0.002 0.000 0.356 606 F C 0.683 176.568 175.800 0.142 0.000 1.161 606 F CA -1.041 57.030 58.000 0.118 0.000 1.151 606 F CB 0.547 39.616 39.000 0.116 0.000 1.222 606 F HN 0.176 nan 8.300 nan 0.000 0.558 607 T N 7.436 122.330 114.554 0.567 0.000 2.727 607 T HA 0.179 4.529 4.350 -0.001 0.000 0.295 607 T C -0.685 174.293 174.700 0.462 0.000 0.915 607 T CA 0.034 62.345 62.100 0.351 0.000 1.066 607 T CB -0.206 68.781 68.868 0.198 0.000 0.891 607 T HN 0.377 nan 8.240 nan 0.000 0.516 608 F N 4.050 124.020 119.950 0.033 0.000 2.532 608 F HA 0.339 4.865 4.527 -0.001 0.000 0.365 608 F C 0.611 176.383 175.800 -0.047 0.000 1.112 608 F CA -1.278 56.678 58.000 -0.074 0.000 1.082 608 F CB 0.903 39.596 39.000 -0.511 0.000 1.319 608 F HN 0.484 nan 8.300 nan 0.000 0.457 609 S N 4.575 119.997 115.700 -0.462 0.000 3.864 609 S HA 0.417 4.887 4.470 -0.001 0.000 0.202 609 S C -0.655 173.260 174.600 -1.141 0.000 1.402 609 S CA -0.163 57.656 58.200 -0.634 0.000 1.072 609 S CB -1.193 61.682 63.200 -0.542 0.000 1.383 609 S HN 0.388 nan 8.310 nan 0.000 0.458 610 F N -0.167 119.487 119.950 -0.493 0.000 2.662 610 F HA 0.556 5.082 4.527 -0.002 0.000 0.312 610 F C -2.826 172.883 175.800 -0.151 0.000 1.113 610 F CA -2.733 55.050 58.000 -0.361 0.000 0.951 610 F CB 1.096 39.740 39.000 -0.594 0.000 1.344 610 F HN -0.043 nan 8.300 nan 0.000 0.462 611 P HA 0.255 nan 4.420 nan 0.000 0.276 611 P C -1.131 176.214 177.300 0.075 0.000 1.253 611 P CA -0.135 63.011 63.100 0.077 0.000 0.766 611 P CB 0.382 32.126 31.700 0.073 0.000 0.845 612 C N 3.676 123.014 119.300 0.064 0.000 2.626 612 C HA 0.550 5.009 4.460 -0.001 0.000 0.310 612 C C 0.228 175.228 174.990 0.017 0.000 1.191 612 C CA -0.555 58.485 59.018 0.036 0.000 1.517 612 C CB 1.683 29.451 27.740 0.047 0.000 2.102 612 C HN 0.466 nan 8.230 nan 0.000 0.479 613 R N 2.376 122.873 120.500 -0.005 0.000 2.196 613 R HA 0.382 4.721 4.340 -0.001 0.000 0.340 613 R C -0.483 175.811 176.300 -0.010 0.000 1.043 613 R CA 0.517 56.618 56.100 0.003 0.000 0.883 613 R CB -0.020 30.275 30.300 -0.009 0.000 1.078 613 R HN 0.780 nan 8.270 nan 0.000 0.462 614 Q N 3.274 123.090 119.800 0.025 0.000 2.312 614 Q HA 0.465 4.804 4.340 -0.001 0.000 0.263 614 Q C 0.071 176.040 176.000 -0.052 0.000 0.995 614 Q CA -0.262 55.531 55.803 -0.018 0.000 0.853 614 Q CB 2.158 30.916 28.738 0.034 0.000 1.300 614 Q HN 0.542 nan 8.270 nan 0.000 0.448 615 L N 0.184 121.232 121.223 -0.292 0.000 2.857 615 L HA 0.640 4.979 4.340 -0.001 0.000 0.249 615 L C 0.558 176.687 176.870 -1.235 0.000 1.172 615 L CA 0.658 55.138 54.840 -0.600 0.000 0.980 615 L CB 0.317 42.214 42.059 -0.271 0.000 1.299 615 L HN 0.768 nan 8.230 nan 0.000 0.535 616 G N -2.550 105.660 108.800 -0.983 0.000 2.466 616 G HA2 0.421 4.380 3.960 -0.001 0.000 0.291 616 G HA3 0.421 4.380 3.960 -0.001 0.000 0.291 616 G C 0.204 174.940 174.900 -0.273 0.000 1.460 616 G CA -0.093 44.584 45.100 -0.704 0.000 0.791 616 G HN 0.054 nan 8.290 nan 0.000 0.505 617 L N 0.092 121.252 121.223 -0.105 0.000 2.083 617 L HA 0.014 4.353 4.340 -0.001 0.000 0.209 617 L C 2.329 179.180 176.870 -0.030 0.000 1.083 617 L CA 1.762 56.594 54.840 -0.013 0.000 0.752 617 L CB -0.143 41.930 42.059 0.023 0.000 0.899 617 L HN 0.740 nan 8.230 nan 0.000 0.433 618 D N -0.304 120.063 120.400 -0.054 0.000 2.336 618 D HA -0.073 4.567 4.640 -0.001 0.000 0.229 618 D C 0.432 176.696 176.300 -0.060 0.000 1.061 618 D CA 0.007 53.985 54.000 -0.037 0.000 0.875 618 D CB -0.035 40.746 40.800 -0.032 0.000 0.904 618 D HN 0.526 nan 8.370 nan 0.000 0.525 619 Q N -1.680 118.065 119.800 -0.091 0.000 2.377 619 Q HA 0.633 4.972 4.340 -0.001 0.000 0.279 619 Q C -1.035 174.895 176.000 -0.116 0.000 1.049 619 Q CA -1.393 54.344 55.803 -0.109 0.000 0.825 619 Q CB 2.114 30.776 28.738 -0.127 0.000 1.401 619 Q HN 0.001 nan 8.270 nan 0.000 0.404 620 G N 2.016 110.736 108.800 -0.133 0.000 2.152 620 G HA2 0.458 4.417 3.960 -0.001 0.000 0.290 620 G HA3 0.458 4.417 3.960 -0.001 0.000 0.290 620 G C -1.472 173.331 174.900 -0.161 0.000 1.307 620 G CA -0.554 44.468 45.100 -0.129 0.000 1.289 620 G HN 0.415 nan 8.290 nan 0.000 0.612 621 I N 2.749 123.247 120.570 -0.120 0.000 2.322 621 I HA 0.199 4.368 4.170 -0.001 0.000 0.292 621 I C 0.603 176.650 176.117 -0.116 0.000 1.060 621 I CA -0.683 60.540 61.300 -0.127 0.000 1.309 621 I CB 1.383 39.326 38.000 -0.094 0.000 1.415 621 I HN 0.472 nan 8.210 nan 0.000 0.492 622 L N 7.563 128.685 121.223 -0.167 0.000 2.628 622 L HA -0.009 4.330 4.340 -0.001 0.000 0.274 622 L C 0.684 177.459 176.870 -0.158 0.000 1.209 622 L CA 0.955 55.696 54.840 -0.165 0.000 0.930 622 L CB 0.091 41.948 42.059 -0.337 0.000 1.183 622 L HN 0.624 nan 8.230 nan 0.000 0.492 623 L N 4.031 125.195 121.223 -0.098 0.000 2.084 623 L HA 0.172 4.511 4.340 -0.001 0.000 0.202 623 L C 0.557 177.375 176.870 -0.087 0.000 1.074 623 L CA 0.462 55.262 54.840 -0.067 0.000 0.757 623 L CB -0.200 41.850 42.059 -0.015 0.000 0.918 623 L HN 0.684 nan 8.230 nan 0.000 0.444 624 N N -2.069 116.573 118.700 -0.096 0.000 2.331 624 N HA 0.180 4.919 4.740 -0.001 0.000 0.280 624 N C -1.747 173.701 175.510 -0.102 0.000 1.155 624 N CA -0.531 52.480 53.050 -0.064 0.000 0.822 624 N CB 1.561 40.086 38.487 0.063 0.000 1.619 624 N HN -0.060 nan 8.380 nan 0.000 0.476 625 W N 0.891 122.211 121.300 0.034 0.000 2.237 625 W HA 0.371 5.030 4.660 -0.001 0.000 0.335 625 W C 1.166 177.789 176.519 0.173 0.000 1.230 625 W CA -0.007 57.323 57.345 -0.025 0.000 1.253 625 W CB 0.930 30.375 29.460 -0.025 0.000 1.129 625 W HN 0.447 nan 8.180 nan 0.000 0.590 626 T N -1.657 113.298 114.554 0.668 0.000 2.696 626 T HA 0.593 4.942 4.350 -0.001 0.000 0.291 626 T C 0.012 175.053 174.700 0.569 0.000 1.095 626 T CA -0.889 61.525 62.100 0.523 0.000 1.026 626 T CB 2.119 71.235 68.868 0.412 0.000 1.390 626 T HN 0.592 nan 8.240 nan 0.000 0.513 627 K N -0.426 120.241 120.400 0.444 0.000 1.751 627 K HA -0.222 4.097 4.320 -0.001 0.000 0.134 627 K C 1.265 178.071 176.600 0.343 0.000 1.167 627 K CA 1.440 57.955 56.287 0.379 0.000 0.330 627 K CB -1.844 30.838 32.500 0.304 0.000 0.663 627 K HN 0.977 nan 8.250 nan 0.000 0.817 628 G N 0.303 109.305 108.800 0.337 0.000 3.233 628 G HA2 0.347 4.307 3.960 -0.001 0.000 0.234 628 G HA3 0.347 4.307 3.960 -0.001 0.000 0.234 628 G C -0.379 174.512 174.900 -0.015 0.000 1.137 628 G CA -0.265 44.911 45.100 0.126 0.000 0.763 628 G HN 0.119 nan 8.290 nan 0.000 0.549 629 F N 0.189 120.123 119.950 -0.026 0.000 2.399 629 F HA 0.598 5.125 4.527 -0.001 0.000 0.334 629 F C 0.781 176.334 175.800 -0.412 0.000 1.097 629 F CA -0.382 57.396 58.000 -0.371 0.000 1.076 629 F CB 2.191 40.784 39.000 -0.679 0.000 1.162 629 F HN -0.048 nan 8.300 nan 0.000 0.495 630 K N 1.544 121.657 120.400 -0.477 0.000 2.817 630 K HA 0.671 4.990 4.320 -0.001 0.000 0.183 630 K C -0.085 176.317 176.600 -0.330 0.000 1.145 630 K CA 0.162 56.272 56.287 -0.295 0.000 1.114 630 K CB -0.115 32.337 32.500 -0.081 0.000 0.767 630 K HN 0.866 nan 8.250 nan 0.000 0.453 631 A N 1.749 124.158 122.820 -0.685 0.000 2.546 631 A HA 0.468 4.787 4.320 -0.001 0.000 0.243 631 A C 0.921 178.614 177.584 0.181 0.000 1.063 631 A CA 0.643 52.546 52.037 -0.223 0.000 0.757 631 A CB -0.375 18.492 19.000 -0.222 0.000 0.991 631 A HN 1.304 nan 8.150 nan 0.000 0.503 632 S N 1.750 117.531 115.700 0.135 0.000 2.603 632 S HA 0.478 4.947 4.470 -0.001 0.000 0.268 632 S C 0.753 175.468 174.600 0.193 0.000 1.317 632 S CA 0.724 59.022 58.200 0.164 0.000 1.012 632 S CB 0.694 63.947 63.200 0.089 0.000 0.926 632 S HN 2.266 nan 8.310 nan 0.000 0.539 633 D N -1.154 119.337 120.400 0.152 0.000 2.911 633 D HA -0.179 4.460 4.640 -0.001 0.000 0.227 633 D C 0.825 177.195 176.300 0.116 0.000 1.164 633 D CA 1.225 55.289 54.000 0.107 0.000 0.782 633 D CB -2.327 38.518 40.800 0.076 0.000 1.094 633 D HN 0.756 nan 8.370 nan 0.000 0.425 634 C N -0.473 118.939 119.300 0.187 0.000 2.735 634 C HA 0.304 4.763 4.460 -0.001 0.000 0.444 634 C C 1.143 176.104 174.990 -0.048 0.000 1.331 634 C CA 0.171 59.278 59.018 0.149 0.000 2.225 634 C CB -0.081 27.948 27.740 0.481 0.000 2.917 634 C HN 0.738 nan 8.230 nan 0.000 0.567 635 E N 0.744 120.908 120.200 -0.059 0.000 2.415 635 E HA 0.361 4.710 4.350 -0.001 0.000 0.263 635 E C 1.071 177.616 176.600 -0.093 0.000 0.995 635 E CA 0.943 57.249 56.400 -0.156 0.000 0.915 635 E CB 0.170 29.813 29.700 -0.095 0.000 0.951 635 E HN 0.613 nan 8.360 nan 0.000 0.449 636 G N 2.599 111.331 108.800 -0.113 0.000 2.176 636 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.253 636 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.253 636 G C 0.124 174.968 174.900 -0.094 0.000 0.979 636 G CA -0.198 44.852 45.100 -0.082 0.000 0.641 636 G HN 0.430 nan 8.290 nan 0.000 0.530 637 Q N 0.509 120.235 119.800 -0.124 0.000 2.245 637 Q HA 0.416 4.755 4.340 -0.001 0.000 0.256 637 Q C -0.636 175.254 176.000 -0.182 0.000 0.942 637 Q CA -0.659 55.059 55.803 -0.141 0.000 0.896 637 Q CB 1.726 30.373 28.738 -0.152 0.000 1.272 637 Q HN 0.344 nan 8.270 nan 0.000 0.442 638 D N 0.951 121.248 120.400 -0.172 0.000 2.371 638 D HA -0.001 4.638 4.640 -0.001 0.000 0.256 638 D C 1.201 177.344 176.300 -0.260 0.000 1.193 638 D CA -0.083 53.801 54.000 -0.192 0.000 0.881 638 D CB 1.003 41.715 40.800 -0.147 0.000 1.143 638 D HN 0.343 nan 8.370 nan 0.000 0.473 639 V N 2.505 122.212 119.914 -0.346 0.000 2.594 639 V HA -0.166 3.953 4.120 -0.001 0.000 0.253 639 V C 1.964 177.898 176.094 -0.267 0.000 1.069 639 V CA 1.148 63.179 62.300 -0.448 0.000 1.082 639 V CB -0.740 30.574 31.823 -0.848 0.000 0.680 639 V HN 0.456 nan 8.190 nan 0.000 0.469 640 V N 0.957 120.765 119.914 -0.177 0.000 2.343 640 V HA -0.206 3.913 4.120 -0.001 0.000 0.247 640 V C 2.858 178.900 176.094 -0.087 0.000 1.051 640 V CA 2.453 64.718 62.300 -0.058 0.000 1.036 640 V CB -0.731 31.065 31.823 -0.045 0.000 0.654 640 V HN 0.643 nan 8.190 nan 0.000 0.451 641 S N -0.015 115.602 115.700 -0.139 0.000 2.355 641 S HA -0.086 4.384 4.470 -0.001 0.000 0.222 641 S C 1.921 176.399 174.600 -0.204 0.000 1.031 641 S CA 1.371 59.487 58.200 -0.140 0.000 0.993 641 S CB -0.368 62.751 63.200 -0.134 0.000 0.859 641 S HN 0.461 nan 8.310 nan 0.000 0.453 642 L N 0.731 121.745 121.223 -0.347 0.000 2.129 642 L HA -0.174 4.165 4.340 -0.001 0.000 0.212 642 L C 2.371 178.900 176.870 -0.568 0.000 1.087 642 L CA 0.863 55.331 54.840 -0.621 0.000 0.757 642 L CB -0.516 40.848 42.059 -1.157 0.000 0.896 642 L HN 0.285 nan 8.230 nan 0.000 0.434 643 L N 0.120 121.171 121.223 -0.286 0.000 2.044 643 L HA -0.145 4.194 4.340 -0.001 0.000 0.205 643 L C 3.148 180.020 176.870 0.004 0.000 1.075 643 L CA 2.211 57.062 54.840 0.018 0.000 0.747 643 L CB -0.851 41.310 42.059 0.170 0.000 0.903 643 L HN 0.126 nan 8.230 nan 0.000 0.435 644 R N 0.030 120.511 120.500 -0.031 0.000 2.094 644 R HA -0.221 4.118 4.340 -0.001 0.000 0.239 644 R C 2.105 178.391 176.300 -0.022 0.000 1.137 644 R CA 2.093 58.181 56.100 -0.020 0.000 0.943 644 R CB -1.773 28.508 30.300 -0.032 0.000 0.850 644 R HN 0.645 nan 8.270 nan 0.000 0.433 645 E N -0.065 120.105 120.200 -0.051 0.000 2.130 645 E HA -0.163 4.186 4.350 -0.001 0.000 0.196 645 E C 2.450 179.045 176.600 -0.007 0.000 0.998 645 E CA 1.316 57.692 56.400 -0.039 0.000 0.806 645 E CB -0.255 29.404 29.700 -0.069 0.000 0.738 645 E HN 0.692 nan 8.360 nan 0.000 0.459 646 A N 0.912 123.738 122.820 0.010 0.000 1.897 646 A HA -0.121 4.198 4.320 -0.001 0.000 0.215 646 A C 2.170 179.786 177.584 0.053 0.000 1.181 646 A CA 0.816 52.893 52.037 0.066 0.000 0.620 646 A CB -0.449 18.645 19.000 0.157 0.000 0.821 646 A HN 0.130 nan 8.150 nan 0.000 0.443 647 I N 0.548 121.144 120.570 0.044 0.000 2.163 647 I HA -0.285 3.884 4.170 -0.001 0.000 0.243 647 I C 2.927 179.057 176.117 0.022 0.000 1.085 647 I CA 2.032 63.351 61.300 0.033 0.000 1.347 647 I CB -0.533 37.484 38.000 0.027 0.000 1.044 647 I HN 0.579 nan 8.210 nan 0.000 0.408 648 T N -1.203 113.359 114.554 0.014 0.000 2.746 648 T HA -0.188 4.161 4.350 -0.001 0.000 0.267 648 T C 2.028 176.735 174.700 0.013 0.000 1.039 648 T CA 0.886 62.991 62.100 0.009 0.000 1.142 648 T CB -0.415 68.454 68.868 0.002 0.000 0.866 648 T HN 0.282 nan 8.240 nan 0.000 0.444 649 R N 1.204 121.715 120.500 0.018 0.000 2.070 649 R HA -0.013 4.326 4.340 -0.001 0.000 0.232 649 R C 3.220 179.534 176.300 0.023 0.000 1.138 649 R CA 1.944 58.057 56.100 0.021 0.000 0.936 649 R CB -0.571 29.746 30.300 0.030 0.000 0.839 649 R HN 0.515 nan 8.270 nan 0.000 0.429 650 R N 1.010 121.527 120.500 0.029 0.000 2.328 650 R HA -0.027 4.312 4.340 -0.001 0.000 0.207 650 R C 1.280 177.591 176.300 0.018 0.000 1.056 650 R CA 1.684 57.799 56.100 0.025 0.000 1.016 650 R CB -1.604 28.713 30.300 0.028 0.000 0.872 650 R HN 0.556 nan 8.270 nan 0.000 0.471 651 Q N -2.250 117.560 119.800 0.017 0.000 2.463 651 Q HA 0.067 4.406 4.340 -0.001 0.000 0.299 651 Q C 0.566 176.573 176.000 0.012 0.000 1.353 651 Q CA 1.562 57.372 55.803 0.013 0.000 0.828 651 Q CB -2.962 25.782 28.738 0.011 0.000 1.157 651 Q HN 2.228 nan 8.270 nan 0.000 0.436 652 A N -0.412 122.416 122.820 0.015 0.000 2.301 652 A HA 0.882 5.201 4.320 -0.001 0.000 0.287 652 A C 0.772 178.364 177.584 0.014 0.000 1.274 652 A CA 0.144 52.190 52.037 0.015 0.000 0.865 652 A CB 0.874 19.884 19.000 0.018 0.000 1.324 652 A HN 1.556 nan 8.150 nan 0.000 0.508 653 V N 0.789 120.712 119.914 0.015 0.000 2.637 653 V HA 0.443 4.562 4.120 -0.001 0.000 0.296 653 V C 1.134 177.237 176.094 0.015 0.000 1.046 653 V CA 0.256 62.564 62.300 0.013 0.000 1.066 653 V CB -0.003 31.829 31.823 0.015 0.000 0.968 653 V HN 1.120 nan 8.190 nan 0.000 0.483 654 E N 3.018 123.225 120.200 0.012 0.000 2.608 654 E HA 0.396 4.746 4.350 -0.001 0.000 0.259 654 E C 0.042 176.651 176.600 0.015 0.000 0.951 654 E CA 0.356 56.763 56.400 0.011 0.000 0.945 654 E CB -0.109 29.596 29.700 0.007 0.000 0.916 654 E HN 1.505 nan 8.360 nan 0.000 0.477 655 L N 2.791 124.024 121.223 0.018 0.000 2.455 655 L HA 0.464 4.803 4.340 -0.001 0.000 0.272 655 L C 0.712 177.596 176.870 0.024 0.000 1.174 655 L CA 0.326 55.180 54.840 0.024 0.000 0.869 655 L CB -0.047 42.029 42.059 0.027 0.000 1.130 655 L HN 0.904 nan 8.230 nan 0.000 0.474 656 N N 2.184 120.902 118.700 0.031 0.000 2.592 656 N HA 0.694 5.433 4.740 -0.001 0.000 0.290 656 N C 0.380 175.915 175.510 0.041 0.000 1.364 656 N CA 0.556 53.624 53.050 0.030 0.000 0.878 656 N CB 0.457 38.962 38.487 0.030 0.000 1.104 656 N HN 0.979 nan 8.380 nan 0.000 0.485 657 V N 1.068 121.014 119.914 0.052 0.000 2.446 657 V HA 0.333 4.452 4.120 -0.001 0.000 0.276 657 V C 0.009 176.154 176.094 0.084 0.000 1.030 657 V CA 0.042 62.380 62.300 0.063 0.000 1.033 657 V CB -0.197 31.672 31.823 0.076 0.000 0.993 657 V HN 0.254 nan 8.190 nan 0.000 0.477 658 V N 4.549 124.507 119.914 0.074 0.000 2.547 658 V HA 0.867 4.986 4.120 -0.001 0.000 0.299 658 V C 0.507 176.654 176.094 0.089 0.000 1.040 658 V CA -0.280 62.079 62.300 0.099 0.000 0.913 658 V CB 1.414 33.302 31.823 0.108 0.000 0.992 658 V HN 1.305 nan 8.190 nan 0.000 0.449 659 A N 5.406 128.294 122.820 0.113 0.000 2.343 659 A HA 0.794 5.113 4.320 -0.001 0.000 0.308 659 A C -0.959 176.694 177.584 0.114 0.000 1.092 659 A CA -0.511 51.576 52.037 0.082 0.000 0.751 659 A CB 0.887 19.920 19.000 0.055 0.000 1.203 659 A HN 0.579 nan 8.150 nan 0.000 0.452 660 I N 3.645 124.249 120.570 0.057 0.000 2.331 660 I HA 0.453 4.622 4.170 -0.001 0.000 0.292 660 I C -0.081 176.062 176.117 0.043 0.000 0.998 660 I CA -0.270 61.049 61.300 0.030 0.000 1.267 660 I CB 1.002 38.963 38.000 -0.065 0.000 1.386 660 I HN 0.529 nan 8.210 nan 0.000 0.476 661 V N 4.162 124.118 119.914 0.071 0.000 2.760 661 V HA 0.539 4.658 4.120 -0.001 0.000 0.309 661 V C -0.230 175.897 176.094 0.055 0.000 1.077 661 V CA -0.959 61.373 62.300 0.053 0.000 0.910 661 V CB 2.024 33.872 31.823 0.042 0.000 1.008 661 V HN 0.778 nan 8.190 nan 0.000 0.424 662 N N 2.552 121.262 118.700 0.016 0.000 2.525 662 N HA 0.045 4.785 4.740 -0.001 0.000 0.271 662 N C 0.673 176.158 175.510 -0.042 0.000 1.194 662 N CA 0.279 53.315 53.050 -0.024 0.000 0.964 662 N CB 1.631 40.088 38.487 -0.051 0.000 1.126 662 N HN 0.999 nan 8.380 nan 0.000 0.452 663 D N 1.460 121.814 120.400 -0.076 0.000 2.149 663 D HA -0.224 4.415 4.640 -0.001 0.000 0.198 663 D C 1.663 177.919 176.300 -0.073 0.000 0.990 663 D CA 2.120 56.080 54.000 -0.067 0.000 0.839 663 D CB -0.974 39.770 40.800 -0.094 0.000 0.948 663 D HN 0.715 nan 8.370 nan 0.000 0.460 664 T N -0.649 113.845 114.554 -0.100 0.000 2.652 664 T HA -0.173 4.177 4.350 -0.001 0.000 0.267 664 T C 2.275 176.924 174.700 -0.085 0.000 1.039 664 T CA 1.853 63.886 62.100 -0.112 0.000 1.153 664 T CB -1.055 67.720 68.868 -0.156 0.000 0.863 664 T HN 0.097 nan 8.240 nan 0.000 0.428 665 V N 2.166 122.036 119.914 -0.073 0.000 2.343 665 V HA -0.014 4.105 4.120 -0.001 0.000 0.247 665 V C 3.141 179.212 176.094 -0.039 0.000 1.051 665 V CA 1.827 64.093 62.300 -0.056 0.000 1.036 665 V CB -1.627 30.169 31.823 -0.045 0.000 0.654 665 V HN 0.715 nan 8.190 nan 0.000 0.451 666 G N -0.177 108.604 108.800 -0.031 0.000 2.446 666 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.217 666 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.217 666 G C 1.692 176.577 174.900 -0.026 0.000 1.168 666 G CA 1.664 46.751 45.100 -0.022 0.000 0.771 666 G HN 0.484 nan 8.290 nan 0.000 0.551 667 T N 0.968 115.502 114.554 -0.033 0.000 2.737 667 T HA -0.127 4.222 4.350 -0.001 0.000 0.265 667 T C 2.261 176.947 174.700 -0.023 0.000 1.038 667 T CA 1.324 63.407 62.100 -0.029 0.000 1.144 667 T CB -0.269 68.574 68.868 -0.042 0.000 0.866 667 T HN 0.224 nan 8.240 nan 0.000 0.434 668 M N 0.560 120.140 119.600 -0.034 0.000 2.089 668 M HA -0.162 4.317 4.480 -0.001 0.000 0.257 668 M C 2.019 178.314 176.300 -0.010 0.000 1.071 668 M CA 1.831 57.114 55.300 -0.028 0.000 1.096 668 M CB -0.263 32.314 32.600 -0.039 0.000 1.330 668 M HN 0.158 nan 8.290 nan 0.000 0.403 669 M N -0.554 119.039 119.600 -0.011 0.000 2.229 669 M HA -0.105 4.374 4.480 -0.001 0.000 0.264 669 M C 2.157 178.475 176.300 0.029 0.000 1.063 669 M CA 1.296 56.599 55.300 0.005 0.000 1.114 669 M CB -1.197 31.395 32.600 -0.012 0.000 1.387 669 M HN 0.302 nan 8.290 nan 0.000 0.420 670 S N 0.328 116.036 115.700 0.014 0.000 2.345 670 S HA -0.119 4.350 4.470 -0.001 0.000 0.220 670 S C 2.092 176.736 174.600 0.074 0.000 1.031 670 S CA 1.355 59.569 58.200 0.023 0.000 0.996 670 S CB -0.449 62.750 63.200 -0.002 0.000 0.882 670 S HN 0.535 nan 8.310 nan 0.000 0.445 671 C N 1.676 121.007 119.300 0.052 0.000 2.446 671 C HA 0.108 4.567 4.460 -0.001 0.000 0.279 671 C C 2.803 177.831 174.990 0.063 0.000 1.366 671 C CA 0.130 59.183 59.018 0.058 0.000 1.763 671 C CB -1.768 25.991 27.740 0.032 0.000 1.929 671 C HN 0.724 nan 8.230 nan 0.000 0.509 672 G N -0.928 107.906 108.800 0.057 0.000 2.471 672 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.219 672 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.219 672 G C 1.276 176.221 174.900 0.076 0.000 1.125 672 G CA 0.541 45.669 45.100 0.046 0.000 0.775 672 G HN 0.566 nan 8.290 nan 0.000 0.548 673 Y N 1.815 122.110 120.300 -0.009 0.000 2.151 673 Y HA -0.079 4.471 4.550 -0.001 0.000 0.284 673 Y C 2.345 178.247 175.900 0.002 0.000 1.166 673 Y CA 2.363 60.461 58.100 -0.003 0.000 1.163 673 Y CB -0.140 38.320 38.460 -0.000 0.000 0.974 673 Y HN 0.318 nan 8.280 nan 0.000 0.511 674 E N -0.284 119.890 120.200 -0.044 0.000 2.789 674 E HA 0.278 4.627 4.350 -0.001 0.000 0.208 674 E C -0.734 175.837 176.600 -0.049 0.000 0.988 674 E CA 0.376 56.701 56.400 -0.124 0.000 1.092 674 E CB 0.015 29.683 29.700 -0.054 0.000 1.066 674 E HN 0.356 nan 8.360 nan 0.000 0.465 675 D N -0.290 120.091 120.400 -0.031 0.000 2.319 675 D HA 0.229 4.868 4.640 -0.001 0.000 0.237 675 D C -2.406 173.881 176.300 -0.022 0.000 1.353 675 D CA -1.801 52.187 54.000 -0.020 0.000 0.992 675 D CB 2.052 42.851 40.800 -0.002 0.000 1.368 675 D HN -0.101 nan 8.370 nan 0.000 0.564 676 P HA -0.070 nan 4.420 nan 0.000 0.218 676 P C 1.112 178.399 177.300 -0.022 0.000 1.148 676 P CA 0.682 63.766 63.100 -0.027 0.000 0.822 676 P CB 0.329 32.011 31.700 -0.029 0.000 0.784 677 R N -1.508 118.978 120.500 -0.023 0.000 2.323 677 R HA 0.062 4.401 4.340 -0.001 0.000 0.198 677 R C 0.329 176.610 176.300 -0.032 0.000 0.988 677 R CA 0.025 56.109 56.100 -0.026 0.000 1.041 677 R CB -1.395 28.889 30.300 -0.027 0.000 0.926 677 R HN 0.217 nan 8.270 nan 0.000 0.476 678 C N 2.168 121.453 119.300 -0.027 0.000 2.416 678 C HA 0.175 4.635 4.460 -0.001 0.000 0.355 678 C C 0.851 175.826 174.990 -0.024 0.000 1.211 678 C CA -0.198 58.802 59.018 -0.030 0.000 1.699 678 C CB -0.714 27.016 27.740 -0.017 0.000 2.310 678 C HN 0.449 nan 8.230 nan 0.000 0.539 679 E N 4.408 124.591 120.200 -0.027 0.000 2.758 679 E HA 0.321 4.670 4.350 -0.001 0.000 0.215 679 E C -0.653 175.953 176.600 0.010 0.000 0.985 679 E CA 0.133 56.528 56.400 -0.008 0.000 1.102 679 E CB 0.603 30.306 29.700 0.005 0.000 1.042 679 E HN 0.702 nan 8.360 nan 0.000 0.480 680 I N 0.343 120.903 120.570 -0.018 0.000 2.607 680 I HA 0.368 4.537 4.170 -0.001 0.000 0.290 680 I C -0.127 175.962 176.117 -0.048 0.000 1.129 680 I CA -1.063 60.228 61.300 -0.014 0.000 1.042 680 I CB 2.282 40.261 38.000 -0.035 0.000 1.242 680 I HN -0.078 nan 8.210 nan 0.000 0.421 681 G N 5.466 114.228 108.800 -0.062 0.000 2.372 681 G HA2 0.658 4.617 3.960 -0.001 0.000 0.323 681 G HA3 0.658 4.617 3.960 -0.001 0.000 0.323 681 G C -1.587 173.238 174.900 -0.126 0.000 1.152 681 G CA -0.354 44.695 45.100 -0.085 0.000 0.906 681 G HN 0.362 nan 8.290 nan 0.000 0.460 682 L N 3.367 124.525 121.223 -0.109 0.000 2.362 682 L HA 0.676 5.016 4.340 -0.001 0.000 0.275 682 L C -1.082 175.722 176.870 -0.111 0.000 0.998 682 L CA -0.994 53.776 54.840 -0.117 0.000 0.820 682 L CB 1.703 43.760 42.059 -0.004 0.000 1.270 682 L HN 0.306 nan 8.230 nan 0.000 0.415 683 I N 6.097 126.609 120.570 -0.098 0.000 2.436 683 I HA 0.461 4.630 4.170 -0.001 0.000 0.289 683 I C -0.705 175.435 176.117 0.038 0.000 1.010 683 I CA -0.584 60.683 61.300 -0.055 0.000 1.098 683 I CB 1.908 39.865 38.000 -0.072 0.000 1.266 683 I HN 0.319 nan 8.210 nan 0.000 0.434 684 V N 5.936 125.867 119.914 0.028 0.000 2.558 684 V HA 0.615 4.735 4.120 -0.001 0.000 0.261 684 V C 0.431 176.511 176.094 -0.023 0.000 0.958 684 V CA -0.254 62.074 62.300 0.048 0.000 0.852 684 V CB 0.885 32.751 31.823 0.072 0.000 1.067 684 V HN 0.986 nan 8.190 nan 0.000 0.468 685 G N 1.540 110.335 108.800 -0.009 0.000 3.359 685 G HA2 0.270 4.230 3.960 -0.001 0.000 0.187 685 G HA3 0.270 4.230 3.960 -0.001 0.000 0.187 685 G C 0.941 175.832 174.900 -0.016 0.000 1.294 685 G CA 0.802 45.890 45.100 -0.019 0.000 0.769 685 G HN 0.275 nan 8.290 nan 0.000 0.733 686 T N 0.667 115.212 114.554 -0.015 0.000 2.635 686 T HA 0.112 4.461 4.350 -0.001 0.000 0.267 686 T C 1.214 175.908 174.700 -0.011 0.000 1.040 686 T CA 1.672 63.753 62.100 -0.031 0.000 1.156 686 T CB -0.540 68.319 68.868 -0.015 0.000 0.863 686 T HN 0.669 nan 8.240 nan 0.000 0.430 687 G N -0.701 108.116 108.800 0.029 0.000 2.644 687 G HA2 0.561 4.520 3.960 -0.001 0.000 0.307 687 G HA3 0.561 4.520 3.960 -0.001 0.000 0.307 687 G C -1.227 173.747 174.900 0.124 0.000 1.250 687 G CA -0.401 44.765 45.100 0.111 0.000 0.996 687 G HN 0.185 nan 8.290 nan 0.000 0.489 688 T N -0.647 114.042 114.554 0.224 0.000 2.893 688 T HA 0.644 4.993 4.350 -0.001 0.000 0.291 688 T C -0.985 173.910 174.700 0.324 0.000 1.028 688 T CA -0.634 61.652 62.100 0.310 0.000 0.995 688 T CB 1.678 70.833 68.868 0.477 0.000 1.051 688 T HN 0.735 nan 8.240 nan 0.000 0.470 689 N N 1.003 119.723 118.700 0.033 0.000 3.185 689 N HA 0.700 5.439 4.740 -0.001 0.000 0.238 689 N C -2.068 172.897 175.510 -0.908 0.000 1.451 689 N CA -0.123 52.624 53.050 -0.505 0.000 0.888 689 N CB 1.719 40.077 38.487 -0.216 0.000 1.413 689 N HN 0.964 nan 8.380 nan 0.000 0.511 690 A N 0.009 122.159 122.820 -1.117 0.000 2.572 690 A HA 0.766 5.085 4.320 -0.001 0.000 0.295 690 A C -0.752 176.597 177.584 -0.392 0.000 1.072 690 A CA -0.401 51.143 52.037 -0.822 0.000 0.691 690 A CB 0.175 18.394 19.000 -1.302 0.000 1.291 690 A HN 1.290 nan 8.150 nan 0.000 0.404 691 C N -0.354 118.822 119.300 -0.206 0.000 2.994 691 C HA 1.059 5.518 4.460 -0.001 0.000 0.304 691 C C -1.029 173.979 174.990 0.030 0.000 1.273 691 C CA -0.931 58.026 59.018 -0.101 0.000 1.537 691 C CB 0.591 28.248 27.740 -0.138 0.000 2.001 691 C HN 1.867 nan 8.230 nan 0.000 0.471 692 Y N -0.385 119.847 120.300 -0.113 0.000 2.641 692 Y HA 0.689 5.238 4.550 -0.001 0.000 0.333 692 Y C -0.955 174.899 175.900 -0.076 0.000 1.174 692 Y CA -1.553 56.493 58.100 -0.090 0.000 1.057 692 Y CB 0.854 39.266 38.460 -0.081 0.000 1.322 692 Y HN 0.622 nan 8.280 nan 0.000 0.457 693 M N 3.204 122.818 119.600 0.023 0.000 2.341 693 M HA 0.215 4.695 4.480 -0.001 0.000 0.336 693 M C -0.354 175.951 176.300 0.007 0.000 1.489 693 M CA 0.196 55.458 55.300 -0.063 0.000 1.278 693 M CB -0.269 32.325 32.600 -0.010 0.000 1.657 693 M HN 0.825 nan 8.290 nan 0.000 0.455 694 E N 2.855 122.934 120.200 -0.201 0.000 2.283 694 E HA 0.225 4.574 4.350 -0.001 0.000 0.271 694 E C -0.540 176.035 176.600 -0.042 0.000 1.031 694 E CA -0.303 56.074 56.400 -0.039 0.000 0.868 694 E CB 0.923 30.513 29.700 -0.183 0.000 1.094 694 E HN 0.337 nan 8.360 nan 0.000 0.401 695 E N 3.205 123.407 120.200 0.004 0.000 2.360 695 E HA -0.005 4.344 4.350 -0.001 0.000 0.269 695 E C 0.743 177.315 176.600 -0.046 0.000 1.022 695 E CA -0.125 56.263 56.400 -0.019 0.000 0.887 695 E CB 0.911 30.609 29.700 -0.002 0.000 0.990 695 E HN 0.569 nan 8.360 nan 0.000 0.426 696 L N 5.199 126.386 121.223 -0.061 0.000 2.079 696 L HA -0.213 4.126 4.340 -0.001 0.000 0.210 696 L C 2.366 179.201 176.870 -0.059 0.000 1.081 696 L CA 1.883 56.675 54.840 -0.080 0.000 0.752 696 L CB -0.371 41.639 42.059 -0.081 0.000 0.896 696 L HN 0.528 nan 8.230 nan 0.000 0.433 697 R N -0.983 119.494 120.500 -0.038 0.000 2.159 697 R HA -0.170 4.170 4.340 -0.001 0.000 0.237 697 R C 1.587 177.873 176.300 -0.024 0.000 1.131 697 R CA 2.103 58.186 56.100 -0.027 0.000 0.982 697 R CB -1.094 29.196 30.300 -0.017 0.000 0.868 697 R HN 0.504 nan 8.270 nan 0.000 0.453 698 N N 0.353 119.039 118.700 -0.023 0.000 2.424 698 N HA 0.039 4.778 4.740 -0.001 0.000 0.178 698 N C -0.568 174.928 175.510 -0.024 0.000 1.060 698 N CA 0.174 53.216 53.050 -0.014 0.000 0.901 698 N CB 0.648 39.137 38.487 0.004 0.000 0.979 698 N HN -0.056 nan 8.380 nan 0.000 0.451 699 V N 1.824 121.709 119.914 -0.048 0.000 2.276 699 V HA 0.215 4.335 4.120 -0.001 0.000 0.249 699 V C 1.109 177.174 176.094 -0.049 0.000 1.160 699 V CA -0.251 62.011 62.300 -0.064 0.000 1.042 699 V CB 0.107 31.860 31.823 -0.116 0.000 1.224 699 V HN 0.214 nan 8.190 nan 0.000 0.496 700 A N 4.005 126.808 122.820 -0.028 0.000 1.972 700 A HA -0.040 4.279 4.320 -0.001 0.000 0.219 700 A C 2.291 179.867 177.584 -0.013 0.000 1.169 700 A CA 1.747 53.773 52.037 -0.017 0.000 0.635 700 A CB -0.514 18.481 19.000 -0.008 0.000 0.810 700 A HN 0.802 nan 8.150 nan 0.000 0.446 701 G N -0.921 107.870 108.800 -0.015 0.000 2.432 701 G HA2 0.142 4.101 3.960 -0.001 0.000 0.219 701 G HA3 0.142 4.101 3.960 -0.001 0.000 0.219 701 G C 0.677 175.583 174.900 0.009 0.000 1.135 701 G CA 1.081 46.181 45.100 0.001 0.000 0.767 701 G HN 0.322 nan 8.290 nan 0.000 0.550 702 V N 1.893 121.794 119.914 -0.022 0.000 2.713 702 V HA 0.405 4.524 4.120 -0.001 0.000 0.307 702 V C -1.685 174.398 176.094 -0.017 0.000 1.052 702 V CA -1.549 60.739 62.300 -0.021 0.000 0.967 702 V CB 1.997 33.726 31.823 -0.158 0.000 1.019 702 V HN 0.136 nan 8.190 nan 0.000 0.459 703 P HA 0.615 nan 4.420 nan 0.000 0.281 703 P C -0.165 177.128 177.300 -0.012 0.000 1.264 703 P CA 0.143 63.247 63.100 0.006 0.000 0.824 703 P CB 1.286 33.003 31.700 0.028 0.000 1.092 704 G N 0.852 109.645 108.800 -0.011 0.000 2.629 704 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.686 704 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.686 704 G C -0.507 174.377 174.900 -0.026 0.000 1.232 704 G CA -0.280 44.810 45.100 -0.017 0.000 0.803 704 G HN 0.451 nan 8.290 nan 0.000 0.638 705 D N 0.076 120.463 120.400 -0.022 0.000 2.753 705 D HA 0.313 4.952 4.640 -0.001 0.000 0.291 705 D C 1.943 178.229 176.300 -0.023 0.000 1.075 705 D CA 0.981 54.967 54.000 -0.022 0.000 0.946 705 D CB -0.341 40.450 40.800 -0.014 0.000 1.376 705 D HN 1.100 nan 8.370 nan 0.000 0.482 706 S N 0.596 116.285 115.700 -0.019 0.000 2.516 706 S HA 0.497 4.966 4.470 -0.001 0.000 0.282 706 S C 1.002 175.587 174.600 -0.025 0.000 1.286 706 S CA 0.740 58.929 58.200 -0.018 0.000 1.066 706 S CB 0.136 63.329 63.200 -0.012 0.000 0.884 706 S HN 0.457 nan 8.310 nan 0.000 0.491 707 G N 1.908 110.692 108.800 -0.026 0.000 2.526 707 G HA2 0.165 4.124 3.960 -0.001 0.000 0.250 707 G HA3 0.165 4.124 3.960 -0.001 0.000 0.250 707 G C -0.492 174.381 174.900 -0.044 0.000 1.289 707 G CA -0.226 44.855 45.100 -0.032 0.000 0.947 707 G HN 1.611 nan 8.290 nan 0.000 0.517 708 R N -1.653 118.814 120.500 -0.055 0.000 2.817 708 R HA 0.879 5.219 4.340 -0.001 0.000 0.268 708 R C -0.591 175.645 176.300 -0.107 0.000 1.027 708 R CA -1.115 54.942 56.100 -0.073 0.000 0.928 708 R CB 1.783 32.053 30.300 -0.051 0.000 1.228 708 R HN 1.159 nan 8.270 nan 0.000 0.469 709 M N 1.050 120.563 119.600 -0.145 0.000 2.413 709 M HA 0.297 4.776 4.480 -0.001 0.000 0.287 709 M C -1.434 174.733 176.300 -0.222 0.000 1.186 709 M CA -0.740 54.447 55.300 -0.189 0.000 0.927 709 M CB 2.335 34.774 32.600 -0.269 0.000 1.715 709 M HN 0.896 nan 8.290 nan 0.000 0.478 710 C N 5.167 124.348 119.300 -0.197 0.000 2.653 710 C HA 0.498 4.957 4.460 -0.001 0.000 0.421 710 C C -0.185 174.635 174.990 -0.285 0.000 1.334 710 C CA -0.138 58.742 59.018 -0.231 0.000 1.885 710 C CB -0.857 26.795 27.740 -0.147 0.000 2.645 710 C HN 0.756 nan 8.230 nan 0.000 0.601 711 I N 5.840 126.157 120.570 -0.422 0.000 2.436 711 I HA 0.241 4.410 4.170 -0.001 0.000 0.289 711 I C -0.356 175.594 176.117 -0.279 0.000 1.010 711 I CA -0.274 60.802 61.300 -0.374 0.000 1.098 711 I CB 1.318 39.016 38.000 -0.504 0.000 1.266 711 I HN 0.684 nan 8.210 nan 0.000 0.434 712 N N 7.059 125.664 118.700 -0.159 0.000 2.402 712 N HA 0.214 4.953 4.740 -0.001 0.000 0.252 712 N C 0.640 176.105 175.510 -0.074 0.000 1.118 712 N CA 0.072 53.054 53.050 -0.113 0.000 0.945 712 N CB 0.877 39.320 38.487 -0.074 0.000 1.147 712 N HN 0.586 nan 8.380 nan 0.000 0.495 713 M N 1.291 120.854 119.600 -0.063 0.000 2.213 713 M HA -0.042 4.437 4.480 -0.001 0.000 0.263 713 M C -0.012 176.317 176.300 0.047 0.000 1.062 713 M CA 0.883 56.194 55.300 0.017 0.000 1.105 713 M CB -0.145 32.492 32.600 0.060 0.000 1.385 713 M HN 0.429 nan 8.290 nan 0.000 0.417 714 E N 0.205 120.410 120.200 0.009 0.000 2.230 714 E HA -0.218 4.131 4.350 -0.001 0.000 0.206 714 E C -0.002 176.733 176.600 0.226 0.000 1.309 714 E CA 0.735 57.182 56.400 0.079 0.000 0.697 714 E CB -1.497 28.252 29.700 0.082 0.000 1.146 714 E HN 0.803 nan 8.360 nan 0.000 0.363 715 W N -0.574 120.786 121.300 0.100 0.000 2.937 715 W HA 0.303 4.962 4.660 -0.001 0.000 0.245 715 W C 1.473 178.173 176.519 0.303 0.000 1.306 715 W CA 0.426 57.839 57.345 0.113 0.000 1.470 715 W CB -1.074 28.384 29.460 -0.003 0.000 1.132 715 W HN 0.148 nan 8.180 nan 0.000 0.675 716 G N 1.549 110.789 108.800 0.732 0.000 2.442 716 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.219 716 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.219 716 G C 1.627 176.790 174.900 0.438 0.000 1.141 716 G CA 1.666 47.118 45.100 0.586 0.000 0.763 716 G HN 0.466 nan 8.290 nan 0.000 0.554 717 A N -0.264 122.764 122.820 0.346 0.000 2.259 717 A HA 0.461 4.780 4.320 -0.001 0.000 0.208 717 A C 0.590 178.327 177.584 0.256 0.000 1.201 717 A CA -0.681 51.504 52.037 0.247 0.000 0.824 717 A CB -0.443 18.669 19.000 0.186 0.000 0.838 717 A HN 0.257 nan 8.150 nan 0.000 0.485 718 F N 1.050 121.073 119.950 0.122 0.000 2.607 718 F HA 0.384 4.911 4.527 -0.001 0.000 0.374 718 F C 1.348 177.150 175.800 0.003 0.000 1.104 718 F CA 0.780 58.757 58.000 -0.039 0.000 1.296 718 F CB 0.126 38.896 39.000 -0.383 0.000 1.085 718 F HN 0.389 nan 8.300 nan 0.000 0.584 719 G N 4.203 112.734 108.800 -0.448 0.000 2.179 719 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.260 719 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.260 719 G C 0.867 175.670 174.900 -0.162 0.000 0.977 719 G CA 0.471 45.306 45.100 -0.443 0.000 0.641 719 G HN 0.637 nan 8.290 nan 0.000 0.533 720 D N 1.226 121.594 120.400 -0.053 0.000 2.263 720 D HA 0.019 4.659 4.640 -0.001 0.000 0.208 720 D C 2.044 178.330 176.300 -0.022 0.000 0.971 720 D CA 1.425 55.418 54.000 -0.012 0.000 0.867 720 D CB -0.218 40.605 40.800 0.037 0.000 0.929 720 D HN 0.679 nan 8.370 nan 0.000 0.492 721 D N -0.964 119.417 120.400 -0.031 0.000 2.378 721 D HA 0.055 4.694 4.640 -0.001 0.000 0.227 721 D C 1.511 177.782 176.300 -0.049 0.000 1.012 721 D CA 0.798 54.781 54.000 -0.028 0.000 0.905 721 D CB -0.458 40.333 40.800 -0.015 0.000 0.895 721 D HN 0.186 nan 8.370 nan 0.000 0.532 722 G N 0.128 108.884 108.800 -0.075 0.000 2.141 722 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.242 722 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.242 722 G C 1.065 175.902 174.900 -0.104 0.000 0.982 722 G CA 0.720 45.771 45.100 -0.082 0.000 0.662 722 G HN 0.640 nan 8.290 nan 0.000 0.527 723 S N -0.775 114.842 115.700 -0.139 0.000 2.522 723 S HA 0.265 4.734 4.470 -0.001 0.000 0.227 723 S C 1.547 176.027 174.600 -0.199 0.000 0.986 723 S CA 0.892 59.002 58.200 -0.151 0.000 0.929 723 S CB -0.004 63.108 63.200 -0.147 0.000 0.769 723 S HN 0.532 nan 8.310 nan 0.000 0.529 724 L N 1.016 122.095 121.223 -0.240 0.000 2.984 724 L HA 0.462 4.801 4.340 -0.001 0.000 0.246 724 L C 1.997 178.784 176.870 -0.139 0.000 1.268 724 L CA 0.100 54.811 54.840 -0.215 0.000 1.054 724 L CB -0.228 41.663 42.059 -0.279 0.000 1.393 724 L HN 0.349 nan 8.230 nan 0.000 0.532 725 A N 0.384 123.135 122.820 -0.115 0.000 1.972 725 A HA -0.224 4.095 4.320 -0.001 0.000 0.219 725 A C 2.736 180.266 177.584 -0.090 0.000 1.169 725 A CA 2.145 54.125 52.037 -0.094 0.000 0.635 725 A CB -0.310 18.643 19.000 -0.078 0.000 0.810 725 A HN 0.401 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 -0.063 4.416 4.480 -0.001 0.000 0.257 726 M C 2.331 178.579 176.300 -0.086 0.000 1.071 726 M CA 2.420 57.675 55.300 -0.075 0.000 1.093 726 M CB -1.696 30.866 32.600 -0.064 0.000 1.345 726 M HN 0.471 nan 8.290 nan 0.000 0.403 727 L N -0.545 120.619 121.223 -0.097 0.000 2.168 727 L HA 0.044 4.384 4.340 -0.001 0.000 0.203 727 L C 1.368 178.146 176.870 -0.153 0.000 1.078 727 L CA -0.005 54.765 54.840 -0.117 0.000 0.780 727 L CB -0.635 41.368 42.059 -0.093 0.000 0.939 727 L HN 0.448 nan 8.230 nan 0.000 0.451 728 S N 1.223 116.844 115.700 -0.131 0.000 2.673 728 S HA 0.024 4.493 4.470 -0.001 0.000 0.308 728 S C 0.613 175.119 174.600 -0.156 0.000 1.246 728 S CA 0.011 58.131 58.200 -0.134 0.000 1.077 728 S CB 0.168 63.302 63.200 -0.109 0.000 0.814 728 S HN 0.423 nan 8.310 nan 0.000 0.503 729 T N 0.857 115.306 114.554 -0.175 0.000 2.824 729 T HA 0.313 4.662 4.350 -0.001 0.000 0.277 729 T C 1.416 175.996 174.700 -0.200 0.000 0.975 729 T CA -0.951 61.045 62.100 -0.173 0.000 0.966 729 T CB 0.614 69.432 68.868 -0.084 0.000 1.054 729 T HN 0.677 nan 8.240 nan 0.000 0.533 730 R N -0.306 119.965 120.500 -0.381 0.000 2.120 730 R HA -0.040 4.299 4.340 -0.001 0.000 0.234 730 R C 1.616 177.659 176.300 -0.428 0.000 1.123 730 R CA 1.480 57.296 56.100 -0.473 0.000 0.975 730 R CB -0.887 29.008 30.300 -0.675 0.000 0.866 730 R HN 0.571 nan 8.270 nan 0.000 0.446 731 F N 2.086 122.026 119.950 -0.018 0.000 2.206 731 F HA -0.014 4.512 4.527 -0.002 0.000 0.298 731 F C 2.043 177.826 175.800 -0.027 0.000 1.090 731 F CA 0.867 58.875 58.000 0.012 0.000 1.323 731 F CB -0.465 38.663 39.000 0.214 0.000 1.028 731 F HN -0.059 nan 8.300 nan 0.000 0.492 732 D N 0.601 121.095 120.400 0.156 0.000 2.117 732 D HA -0.167 4.473 4.640 -0.001 0.000 0.197 732 D C 2.395 178.671 176.300 -0.039 0.000 0.987 732 D CA 1.539 55.570 54.000 0.052 0.000 0.829 732 D CB -0.530 40.266 40.800 -0.007 0.000 0.961 732 D HN 0.263 nan 8.370 nan 0.000 0.460 733 A N 1.186 123.954 122.820 -0.086 0.000 1.865 733 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 733 A C 2.576 180.085 177.584 -0.124 0.000 1.191 733 A CA 3.029 55.003 52.037 -0.106 0.000 0.623 733 A CB -1.124 17.800 19.000 -0.126 0.000 0.826 733 A HN 0.316 nan 8.150 nan 0.000 0.444 734 S N -0.455 115.127 115.700 -0.197 0.000 2.365 734 S HA -0.100 4.369 4.470 -0.001 0.000 0.225 734 S C 2.032 176.470 174.600 -0.270 0.000 1.039 734 S CA 2.090 60.105 58.200 -0.308 0.000 1.033 734 S CB -0.940 61.902 63.200 -0.597 0.000 0.887 734 S HN 0.339 nan 8.310 nan 0.000 0.447 735 V N 1.893 121.676 119.914 -0.218 0.000 2.295 735 V HA -0.222 3.897 4.120 -0.001 0.000 0.246 735 V C 2.371 178.481 176.094 0.027 0.000 1.049 735 V CA 2.283 64.603 62.300 0.034 0.000 1.024 735 V CB -0.794 31.105 31.823 0.127 0.000 0.648 735 V HN 0.707 nan 8.190 nan 0.000 0.447 736 D N 0.028 120.406 120.400 -0.037 0.000 2.092 736 D HA -0.210 4.429 4.640 -0.001 0.000 0.193 736 D C 2.346 178.638 176.300 -0.014 0.000 0.994 736 D CA 2.153 56.122 54.000 -0.052 0.000 0.828 736 D CB -0.167 40.592 40.800 -0.069 0.000 0.963 736 D HN 0.428 nan 8.370 nan 0.000 0.450 737 Q N -0.038 119.750 119.800 -0.019 0.000 2.181 737 Q HA 0.039 4.378 4.340 -0.001 0.000 0.205 737 Q C 2.202 178.217 176.000 0.026 0.000 0.980 737 Q CA 2.070 57.871 55.803 -0.003 0.000 0.862 737 Q CB -1.138 27.590 28.738 -0.017 0.000 0.905 737 Q HN 0.468 nan 8.270 nan 0.000 0.429 738 A N 0.885 123.733 122.820 0.046 0.000 2.238 738 A HA 0.370 4.690 4.320 -0.001 0.000 0.208 738 A C 1.489 179.132 177.584 0.099 0.000 1.177 738 A CA 0.723 52.811 52.037 0.084 0.000 0.804 738 A CB -0.309 18.774 19.000 0.139 0.000 0.823 738 A HN 0.759 nan 8.150 nan 0.000 0.482 739 S N -1.311 114.445 115.700 0.095 0.000 2.713 739 S HA 0.547 5.016 4.470 -0.001 0.000 0.283 739 S C 1.067 175.730 174.600 0.105 0.000 1.161 739 S CA -0.534 57.743 58.200 0.129 0.000 0.999 739 S CB 0.632 63.917 63.200 0.142 0.000 1.039 739 S HN 0.187 nan 8.310 nan 0.000 0.548 740 I N 1.033 121.677 120.570 0.125 0.000 2.194 740 I HA -0.199 3.970 4.170 -0.001 0.000 0.246 740 I C 0.620 176.800 176.117 0.105 0.000 1.093 740 I CA 1.298 62.660 61.300 0.104 0.000 1.355 740 I CB -0.470 37.602 38.000 0.120 0.000 1.046 740 I HN 0.768 nan 8.210 nan 0.000 0.413 741 N N 0.482 119.255 118.700 0.122 0.000 2.918 741 N HA 0.282 5.022 4.740 -0.001 0.000 0.270 741 N C -2.844 172.707 175.510 0.068 0.000 1.536 741 N CA -2.085 51.030 53.050 0.109 0.000 0.877 741 N CB 0.163 38.740 38.487 0.149 0.000 1.190 741 N HN -0.056 nan 8.380 nan 0.000 0.492 742 P HA 0.187 nan 4.420 nan 0.000 0.268 742 P C 1.157 178.468 177.300 0.018 0.000 1.204 742 P CA 0.883 63.998 63.100 0.024 0.000 0.768 742 P CB 0.681 32.394 31.700 0.023 0.000 0.842 743 G N 0.101 108.901 108.800 -0.001 0.000 2.267 743 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.257 743 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.257 743 G C 0.411 175.318 174.900 0.011 0.000 0.998 743 G CA 0.539 45.639 45.100 -0.001 0.000 0.620 743 G HN 0.890 nan 8.290 nan 0.000 0.529 744 K N 0.207 120.624 120.400 0.028 0.000 2.098 744 K HA 0.745 5.065 4.320 -0.001 0.000 0.258 744 K C 1.063 177.691 176.600 0.048 0.000 0.973 744 K CA 0.371 56.691 56.287 0.055 0.000 0.898 744 K CB 0.138 32.691 32.500 0.089 0.000 1.057 744 K HN 0.969 nan 8.250 nan 0.000 0.447 745 Q N 0.190 120.044 119.800 0.091 0.000 2.451 745 Q HA -0.239 4.101 4.340 -0.001 0.000 0.305 745 Q C 1.029 177.058 176.000 0.048 0.000 1.345 745 Q CA 1.011 56.884 55.803 0.116 0.000 0.854 745 Q CB -1.611 27.212 28.738 0.142 0.000 1.162 745 Q HN 0.840 nan 8.270 nan 0.000 0.440 746 R N -0.599 119.930 120.500 0.048 0.000 2.073 746 R HA -0.109 4.230 4.340 -0.001 0.000 0.234 746 R C 1.946 178.275 176.300 0.049 0.000 1.134 746 R CA 1.583 57.682 56.100 -0.000 0.000 0.952 746 R CB -0.311 29.980 30.300 -0.016 0.000 0.850 746 R HN 0.302 nan 8.270 nan 0.000 0.433 747 F N 2.117 122.056 119.950 -0.018 0.000 2.171 747 F HA -0.168 4.358 4.527 -0.001 0.000 0.300 747 F C 2.336 178.175 175.800 0.064 0.000 1.090 747 F CA 1.569 59.578 58.000 0.015 0.000 1.293 747 F CB -0.142 38.925 39.000 0.112 0.000 1.013 747 F HN 0.017 nan 8.300 nan 0.000 0.486 748 E N 0.223 120.518 120.200 0.158 0.000 2.110 748 E HA -0.232 4.117 4.350 -0.001 0.000 0.193 748 E C 1.870 178.516 176.600 0.078 0.000 0.988 748 E CA 1.233 57.723 56.400 0.151 0.000 0.804 748 E CB -0.095 29.768 29.700 0.272 0.000 0.745 748 E HN 0.390 nan 8.360 nan 0.000 0.458 749 K N -0.442 119.893 120.400 -0.110 0.000 2.504 749 K HA 0.010 4.329 4.320 -0.001 0.000 0.195 749 K C 1.373 177.958 176.600 -0.025 0.000 1.036 749 K CA 0.619 56.752 56.287 -0.258 0.000 0.984 749 K CB 0.164 32.364 32.500 -0.500 0.000 0.788 749 K HN 0.258 nan 8.250 nan 0.000 0.488 750 M N -0.415 119.148 119.600 -0.062 0.000 2.333 750 M HA 0.189 4.668 4.480 -0.001 0.000 0.257 750 M C 1.067 177.344 176.300 -0.039 0.000 1.078 750 M CA 0.446 55.718 55.300 -0.047 0.000 1.005 750 M CB 0.580 33.096 32.600 -0.140 0.000 1.444 750 M HN 0.082 nan 8.290 nan 0.000 0.496 751 I N -1.984 118.579 120.570 -0.012 0.000 4.193 751 I HA 0.069 4.239 4.170 -0.001 0.000 0.287 751 I C 1.041 177.231 176.117 0.121 0.000 1.175 751 I CA -0.010 61.315 61.300 0.043 0.000 1.320 751 I CB 0.509 38.461 38.000 -0.079 0.000 1.523 751 I HN 0.083 nan 8.210 nan 0.000 0.450 752 S N 1.003 116.796 115.700 0.155 0.000 2.617 752 S HA 0.306 4.775 4.470 -0.001 0.000 0.269 752 S C 1.273 175.919 174.600 0.077 0.000 1.292 752 S CA 0.118 58.388 58.200 0.117 0.000 1.010 752 S CB 1.402 64.706 63.200 0.174 0.000 0.944 752 S HN 0.336 nan 8.310 nan 0.000 0.536 753 G N 0.881 109.679 108.800 -0.003 0.000 2.450 753 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.220 753 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.220 753 G C 1.245 176.121 174.900 -0.040 0.000 1.130 753 G CA 1.002 46.095 45.100 -0.012 0.000 0.760 753 G HN 0.772 nan 8.290 nan 0.000 0.557 754 M N -1.059 118.442 119.600 -0.166 0.000 2.213 754 M HA -0.034 4.445 4.480 -0.001 0.000 0.263 754 M C 1.844 177.918 176.300 -0.377 0.000 1.062 754 M CA 1.442 56.512 55.300 -0.383 0.000 1.105 754 M CB 0.058 32.203 32.600 -0.758 0.000 1.385 754 M HN 0.373 nan 8.290 nan 0.000 0.417 755 Y N -1.190 119.167 120.300 0.094 0.000 2.558 755 Y HA 0.174 4.723 4.550 -0.002 0.000 0.273 755 Y C 1.808 177.787 175.900 0.131 0.000 1.100 755 Y CA 0.033 58.199 58.100 0.111 0.000 1.276 755 Y CB -0.383 38.139 38.460 0.104 0.000 1.196 755 Y HN 0.042 nan 8.280 nan 0.000 0.527 756 L N -0.307 121.065 121.223 0.249 0.000 1.990 756 L HA -0.211 4.128 4.340 -0.001 0.000 0.213 756 L C 2.608 179.607 176.870 0.215 0.000 1.072 756 L CA 1.780 56.745 54.840 0.209 0.000 0.755 756 L CB -1.195 40.957 42.059 0.155 0.000 0.889 756 L HN 0.396 nan 8.230 nan 0.000 0.432 757 G N -0.629 108.304 108.800 0.221 0.000 2.475 757 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.220 757 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.220 757 G C 1.493 176.581 174.900 0.312 0.000 1.125 757 G CA 0.613 45.892 45.100 0.299 0.000 0.755 757 G HN 0.339 nan 8.290 nan 0.000 0.565 758 E N 0.264 120.610 120.200 0.243 0.000 2.112 758 E HA 0.010 4.359 4.350 -0.001 0.000 0.190 758 E C 2.699 179.490 176.600 0.318 0.000 0.979 758 E CA 0.217 56.755 56.400 0.231 0.000 0.814 758 E CB -0.146 29.714 29.700 0.267 0.000 0.762 758 E HN 0.531 nan 8.360 nan 0.000 0.460 759 I N 0.904 121.663 120.570 0.315 0.000 2.194 759 I HA -0.270 3.899 4.170 -0.001 0.000 0.246 759 I C 2.447 178.654 176.117 0.149 0.000 1.093 759 I CA 0.887 62.367 61.300 0.300 0.000 1.355 759 I CB -0.502 37.666 38.000 0.281 0.000 1.046 759 I HN -0.064 nan 8.210 nan 0.000 0.413 760 V N 0.824 120.804 119.914 0.110 0.000 2.261 760 V HA -0.306 3.813 4.120 -0.001 0.000 0.246 760 V C 2.679 178.841 176.094 0.114 0.000 1.047 760 V CA 2.112 64.424 62.300 0.020 0.000 1.015 760 V CB -0.794 31.043 31.823 0.024 0.000 0.642 760 V HN 0.407 nan 8.190 nan 0.000 0.446 761 R N -1.004 119.659 120.500 0.270 0.000 2.096 761 R HA -0.204 4.136 4.340 -0.001 0.000 0.240 761 R C 2.441 178.772 176.300 0.052 0.000 1.139 761 R CA 1.910 58.132 56.100 0.204 0.000 0.952 761 R CB -0.349 29.929 30.300 -0.036 0.000 0.854 761 R HN 0.622 nan 8.270 nan 0.000 0.436 762 H N -0.015 119.144 119.070 0.148 0.000 2.387 762 H HA -0.101 4.455 4.556 -0.001 0.000 0.299 762 H C 2.262 177.681 175.328 0.152 0.000 1.090 762 H CA 1.742 57.917 56.048 0.212 0.000 1.332 762 H CB -0.142 29.823 29.762 0.340 0.000 1.386 762 H HN 0.269 nan 8.280 nan 0.000 0.516 763 I N 0.788 121.288 120.570 -0.117 0.000 2.127 763 I HA -0.298 3.871 4.170 -0.001 0.000 0.241 763 I C 2.529 178.621 176.117 -0.040 0.000 1.075 763 I CA 1.050 62.041 61.300 -0.514 0.000 1.334 763 I CB -0.327 37.237 38.000 -0.726 0.000 1.040 763 I HN 0.112 nan 8.210 nan 0.000 0.405 764 L N 0.034 121.277 121.223 0.032 0.000 2.042 764 L HA -0.253 4.087 4.340 -0.001 0.000 0.210 764 L C 2.574 179.557 176.870 0.188 0.000 1.076 764 L CA 1.412 56.334 54.840 0.136 0.000 0.749 764 L CB -0.655 41.541 42.059 0.228 0.000 0.893 764 L HN 0.290 nan 8.230 nan 0.000 0.432 765 L N -0.967 120.366 121.223 0.184 0.000 2.012 765 L HA -0.278 4.062 4.340 -0.001 0.000 0.210 765 L C 2.726 179.736 176.870 0.233 0.000 1.073 765 L CA 1.455 56.404 54.840 0.182 0.000 0.748 765 L CB -0.688 41.474 42.059 0.172 0.000 0.891 765 L HN 0.302 nan 8.230 nan 0.000 0.431 766 H N 0.152 119.362 119.070 0.233 0.000 2.319 766 H HA -0.172 4.383 4.556 -0.001 0.000 0.299 766 H C 2.151 177.587 175.328 0.182 0.000 1.092 766 H CA 1.790 57.995 56.048 0.261 0.000 1.302 766 H CB -0.133 29.924 29.762 0.492 0.000 1.373 766 H HN 0.140 nan 8.280 nan 0.000 0.497 767 L N -0.116 121.172 121.223 0.107 0.000 2.042 767 L HA -0.204 4.135 4.340 -0.001 0.000 0.210 767 L C 2.820 179.698 176.870 0.014 0.000 1.076 767 L CA 1.906 56.756 54.840 0.017 0.000 0.749 767 L CB -0.872 41.219 42.059 0.053 0.000 0.893 767 L HN 0.554 nan 8.230 nan 0.000 0.432 768 T N -3.108 111.500 114.554 0.091 0.000 2.746 768 T HA -0.202 4.147 4.350 -0.001 0.000 0.267 768 T C 2.038 176.768 174.700 0.050 0.000 1.039 768 T CA 1.437 63.607 62.100 0.117 0.000 1.142 768 T CB -0.724 68.253 68.868 0.182 0.000 0.866 768 T HN 0.462 nan 8.240 nan 0.000 0.444 769 S N 2.021 117.734 115.700 0.022 0.000 2.419 769 S HA 0.074 4.543 4.470 -0.001 0.000 0.233 769 S C 2.042 176.615 174.600 -0.046 0.000 1.016 769 S CA 0.718 58.916 58.200 -0.002 0.000 0.974 769 S CB -0.943 62.267 63.200 0.017 0.000 0.786 769 S HN 0.554 nan 8.310 nan 0.000 0.492 770 L N 0.839 121.997 121.223 -0.110 0.000 2.478 770 L HA 0.229 4.569 4.340 -0.001 0.000 0.223 770 L C 2.117 178.964 176.870 -0.038 0.000 1.140 770 L CA 0.567 55.346 54.840 -0.103 0.000 0.842 770 L CB -0.908 41.050 42.059 -0.170 0.000 0.953 770 L HN 0.647 nan 8.230 nan 0.000 0.452 771 G N -0.773 108.018 108.800 -0.015 0.000 2.175 771 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.244 771 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.244 771 G C 0.802 175.703 174.900 0.001 0.000 0.982 771 G CA 0.394 45.496 45.100 0.004 0.000 0.641 771 G HN 0.107 nan 8.290 nan 0.000 0.527 772 V N -0.306 119.603 119.914 -0.009 0.000 2.270 772 V HA 0.209 4.328 4.120 -0.001 0.000 0.245 772 V C 1.578 177.654 176.094 -0.030 0.000 1.043 772 V CA 2.097 64.387 62.300 -0.017 0.000 1.014 772 V CB -0.235 31.578 31.823 -0.017 0.000 0.645 772 V HN 0.427 nan 8.190 nan 0.000 0.447 773 L N -1.655 119.559 121.223 -0.017 0.000 2.332 773 L HA 0.544 4.883 4.340 -0.001 0.000 0.269 773 L C -0.822 176.071 176.870 0.038 0.000 1.016 773 L CA -0.795 54.001 54.840 -0.073 0.000 0.809 773 L CB 0.795 42.810 42.059 -0.074 0.000 1.280 773 L HN 0.293 nan 8.230 nan 0.000 0.447 774 F N 0.629 120.582 119.950 0.004 0.000 2.417 774 F HA -0.174 4.353 4.527 -0.001 0.000 0.225 774 F C 1.043 176.844 175.800 0.003 0.000 1.032 774 F CA 1.330 59.334 58.000 0.006 0.000 0.919 774 F CB -1.320 37.686 39.000 0.011 0.000 1.012 774 F HN 0.627 nan 8.300 nan 0.000 0.819 775 R N 1.771 122.347 120.500 0.126 0.000 2.387 775 R HA 0.473 4.813 4.340 -0.001 0.000 0.321 775 R C 1.445 177.794 176.300 0.082 0.000 1.174 775 R CA 0.746 56.893 56.100 0.079 0.000 1.002 775 R CB -0.319 30.003 30.300 0.037 0.000 1.028 775 R HN 1.883 nan 8.270 nan 0.000 0.482 776 G N -1.131 107.714 108.800 0.076 0.000 2.336 776 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.233 776 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.233 776 G C 0.807 175.732 174.900 0.042 0.000 1.053 776 G CA 0.817 45.947 45.100 0.050 0.000 0.625 776 G HN 1.871 nan 8.290 nan 0.000 0.511 777 Q N 0.308 120.143 119.800 0.057 0.000 2.293 777 Q HA 0.736 5.075 4.340 -0.001 0.000 0.263 777 Q C 0.420 176.411 176.000 -0.015 0.000 1.002 777 Q CA 1.321 57.139 55.803 0.024 0.000 0.910 777 Q CB -0.265 28.495 28.738 0.037 0.000 1.185 777 Q HN 2.232 nan 8.270 nan 0.000 0.401 778 Q N 0.811 120.592 119.800 -0.031 0.000 2.325 778 Q HA 0.541 4.881 4.340 -0.001 0.000 0.256 778 Q C 0.364 176.300 176.000 -0.107 0.000 1.142 778 Q CA 0.334 56.105 55.803 -0.053 0.000 0.902 778 Q CB -0.469 28.247 28.738 -0.036 0.000 1.350 778 Q HN 2.016 nan 8.270 nan 0.000 0.449 779 I N 2.049 122.512 120.570 -0.179 0.000 2.206 779 I HA 0.553 4.722 4.170 -0.001 0.000 0.292 779 I C 1.544 177.538 176.117 -0.205 0.000 1.156 779 I CA 0.293 61.427 61.300 -0.277 0.000 1.356 779 I CB -0.831 36.812 38.000 -0.596 0.000 1.494 779 I HN 0.988 nan 8.210 nan 0.000 0.601 780 Q N 2.555 122.270 119.800 -0.141 0.000 2.135 780 Q HA -0.268 4.071 4.340 -0.001 0.000 0.204 780 Q C 2.326 178.246 176.000 -0.134 0.000 0.981 780 Q CA 2.052 57.788 55.803 -0.112 0.000 0.856 780 Q CB -0.639 28.049 28.738 -0.083 0.000 0.902 780 Q HN 0.907 nan 8.270 nan 0.000 0.425 781 R N -0.142 120.265 120.500 -0.156 0.000 2.185 781 R HA -0.083 4.256 4.340 -0.001 0.000 0.247 781 R C 1.942 178.114 176.300 -0.214 0.000 1.159 781 R CA 1.590 57.587 56.100 -0.173 0.000 0.988 781 R CB -0.881 29.316 30.300 -0.171 0.000 0.871 781 R HN 0.520 nan 8.270 nan 0.000 0.458 782 L N 0.353 121.442 121.223 -0.224 0.000 2.275 782 L HA -0.071 4.269 4.340 -0.001 0.000 0.215 782 L C 1.679 178.435 176.870 -0.190 0.000 1.119 782 L CA 1.559 56.269 54.840 -0.218 0.000 0.790 782 L CB -0.264 41.681 42.059 -0.190 0.000 0.919 782 L HN 0.224 nan 8.230 nan 0.000 0.443 783 Q N -0.980 118.730 119.800 -0.151 0.000 2.297 783 Q HA 0.015 4.354 4.340 -0.001 0.000 0.204 783 Q C 0.514 176.433 176.000 -0.135 0.000 0.962 783 Q CA 0.471 56.203 55.803 -0.118 0.000 0.879 783 Q CB -0.676 28.015 28.738 -0.078 0.000 0.947 783 Q HN 0.403 nan 8.270 nan 0.000 0.462 784 T N 2.643 117.097 114.554 -0.167 0.000 2.853 784 T HA 0.127 4.477 4.350 -0.001 0.000 0.298 784 T C 0.385 174.966 174.700 -0.199 0.000 0.978 784 T CA 0.003 62.002 62.100 -0.167 0.000 1.152 784 T CB 0.478 69.238 68.868 -0.181 0.000 0.914 784 T HN 0.087 nan 8.240 nan 0.000 0.539 785 R N 2.699 123.112 120.500 -0.144 0.000 2.594 785 R HA 0.105 4.444 4.340 -0.001 0.000 0.272 785 R C 0.264 176.473 176.300 -0.152 0.000 1.074 785 R CA -0.357 55.665 56.100 -0.129 0.000 1.105 785 R CB 0.233 30.497 30.300 -0.061 0.000 1.008 785 R HN 0.672 nan 8.270 nan 0.000 0.472 786 D N 1.551 121.863 120.400 -0.148 0.000 2.723 786 D HA -0.174 4.465 4.640 -0.001 0.000 0.236 786 D C 0.973 177.154 176.300 -0.198 0.000 1.138 786 D CA 1.157 55.078 54.000 -0.130 0.000 0.676 786 D CB -0.875 39.878 40.800 -0.078 0.000 1.069 786 D HN 0.642 nan 8.370 nan 0.000 0.430 787 I N -4.369 115.977 120.570 -0.373 0.000 2.584 787 I HA -0.035 4.134 4.170 -0.001 0.000 0.255 787 I C 0.681 176.520 176.117 -0.463 0.000 1.145 787 I CA 0.637 61.649 61.300 -0.480 0.000 1.462 787 I CB -0.148 37.441 38.000 -0.684 0.000 1.102 787 I HN -0.200 nan 8.210 nan 0.000 0.433 788 F N 4.008 123.818 119.950 -0.233 0.000 2.406 788 F HA 0.488 5.014 4.527 -0.001 0.000 0.358 788 F C 0.452 176.261 175.800 0.014 0.000 1.161 788 F CA -1.086 56.777 58.000 -0.229 0.000 1.185 788 F CB -0.117 38.823 39.000 -0.100 0.000 1.421 788 F HN -0.082 nan 8.300 nan 0.000 0.576 789 K N 0.515 121.045 120.400 0.217 0.000 2.090 789 K HA 0.315 4.635 4.320 -0.001 0.000 0.249 789 K C 1.293 178.041 176.600 0.247 0.000 0.995 789 K CA -0.505 55.890 56.287 0.180 0.000 0.914 789 K CB 0.983 33.545 32.500 0.104 0.000 1.057 789 K HN 0.357 nan 8.250 nan 0.000 0.462 790 T N 1.548 116.192 114.554 0.149 0.000 2.665 790 T HA -0.263 4.086 4.350 -0.001 0.000 0.268 790 T C 2.289 177.060 174.700 0.117 0.000 1.035 790 T CA 2.374 64.548 62.100 0.123 0.000 1.151 790 T CB -0.365 68.541 68.868 0.062 0.000 0.862 790 T HN 0.741 nan 8.240 nan 0.000 0.438 791 K N 1.054 121.519 120.400 0.108 0.000 2.074 791 K HA -0.149 4.170 4.320 -0.001 0.000 0.209 791 K C 1.895 178.558 176.600 0.105 0.000 1.048 791 K CA 2.101 58.440 56.287 0.085 0.000 0.926 791 K CB -1.553 30.997 32.500 0.084 0.000 0.713 791 K HN 0.560 nan 8.250 nan 0.000 0.444 792 F N 0.844 120.817 119.950 0.038 0.000 2.098 792 F HA 0.033 4.559 4.527 -0.001 0.000 0.294 792 F C 2.097 177.906 175.800 0.015 0.000 1.107 792 F CA 1.417 59.442 58.000 0.042 0.000 1.234 792 F CB -0.125 38.935 39.000 0.101 0.000 1.002 792 F HN 0.080 nan 8.300 nan 0.000 0.472 793 L N -0.109 121.138 121.223 0.040 0.000 2.081 793 L HA -0.263 4.076 4.340 -0.001 0.000 0.212 793 L C 2.460 179.201 176.870 -0.215 0.000 1.080 793 L CA 1.561 56.337 54.840 -0.106 0.000 0.754 793 L CB -0.924 41.238 42.059 0.171 0.000 0.893 793 L HN 0.200 nan 8.230 nan 0.000 0.433 794 S N -0.821 114.789 115.700 -0.151 0.000 2.406 794 S HA -0.125 4.344 4.470 -0.001 0.000 0.228 794 S C 1.794 176.219 174.600 -0.291 0.000 1.020 794 S CA 0.874 58.921 58.200 -0.255 0.000 0.965 794 S CB -0.016 63.114 63.200 -0.117 0.000 0.798 794 S HN 0.454 nan 8.310 nan 0.000 0.488 795 E N 0.892 120.930 120.200 -0.270 0.000 2.046 795 E HA -0.058 4.291 4.350 -0.001 0.000 0.190 795 E C 2.502 178.901 176.600 -0.335 0.000 0.982 795 E CA 1.243 57.490 56.400 -0.254 0.000 0.800 795 E CB -0.498 29.095 29.700 -0.179 0.000 0.756 795 E HN 0.563 nan 8.360 nan 0.000 0.449 796 I N 1.642 121.878 120.570 -0.557 0.000 2.264 796 I HA -0.223 3.946 4.170 -0.001 0.000 0.248 796 I C 2.348 178.269 176.117 -0.328 0.000 1.111 796 I CA 2.676 63.659 61.300 -0.529 0.000 1.382 796 I CB -1.929 35.565 38.000 -0.844 0.000 1.060 796 I HN 0.323 nan 8.210 nan 0.000 0.418 797 E N 0.123 120.129 120.200 -0.324 0.000 2.481 797 E HA 0.189 4.538 4.350 -0.001 0.000 0.195 797 E C 1.619 178.093 176.600 -0.210 0.000 1.047 797 E CA 0.673 56.926 56.400 -0.245 0.000 0.867 797 E CB -0.809 28.731 29.700 -0.267 0.000 0.858 797 E HN 0.962 nan 8.360 nan 0.000 0.513 798 S N 0.192 115.766 115.700 -0.211 0.000 2.575 798 S HA 0.275 4.744 4.470 -0.001 0.000 0.295 798 S C 1.206 175.736 174.600 -0.117 0.000 1.267 798 S CA 0.717 58.823 58.200 -0.156 0.000 1.074 798 S CB 0.106 63.224 63.200 -0.137 0.000 0.829 798 S HN 0.601 nan 8.310 nan 0.000 0.497 799 D N 2.483 122.826 120.400 -0.095 0.000 2.348 799 D HA -0.017 4.622 4.640 -0.001 0.000 0.216 799 D C 1.891 178.154 176.300 -0.061 0.000 0.970 799 D CA 1.115 55.072 54.000 -0.072 0.000 0.889 799 D CB -0.443 40.321 40.800 -0.059 0.000 0.912 799 D HN 0.766 nan 8.370 nan 0.000 0.524 800 S N -1.235 114.427 115.700 -0.064 0.000 2.575 800 S HA 0.275 4.745 4.470 -0.001 0.000 0.215 800 S C 0.703 175.271 174.600 -0.053 0.000 0.966 800 S CA -0.358 57.810 58.200 -0.052 0.000 0.911 800 S CB -0.119 63.053 63.200 -0.048 0.000 0.780 800 S HN 0.455 nan 8.310 nan 0.000 0.514 801 L N 2.622 123.806 121.223 -0.065 0.000 2.290 801 L HA 0.570 4.910 4.340 -0.001 0.000 0.284 801 L C 0.439 177.277 176.870 -0.053 0.000 1.078 801 L CA -0.697 54.106 54.840 -0.062 0.000 0.815 801 L CB 1.149 43.158 42.059 -0.083 0.000 1.162 801 L HN 0.304 nan 8.230 nan 0.000 0.435 802 A N 3.482 126.278 122.820 -0.040 0.000 2.388 802 A HA 0.155 4.474 4.320 -0.001 0.000 0.257 802 A C 0.754 178.318 177.584 -0.033 0.000 1.095 802 A CA -0.458 51.559 52.037 -0.034 0.000 0.791 802 A CB 0.715 19.700 19.000 -0.025 0.000 1.029 802 A HN 0.824 nan 8.150 nan 0.000 0.489 803 L N 2.815 124.018 121.223 -0.034 0.000 2.081 803 L HA -0.223 4.116 4.340 -0.001 0.000 0.212 803 L C 2.980 179.838 176.870 -0.021 0.000 1.080 803 L CA 3.073 57.894 54.840 -0.033 0.000 0.754 803 L CB -0.628 41.411 42.059 -0.034 0.000 0.893 803 L HN 0.918 nan 8.230 nan 0.000 0.433 804 R N -0.884 119.607 120.500 -0.016 0.000 2.091 804 R HA -0.166 4.174 4.340 -0.001 0.000 0.238 804 R C 2.156 178.455 176.300 -0.001 0.000 1.136 804 R CA 2.379 58.475 56.100 -0.007 0.000 0.959 804 R CB -2.010 28.286 30.300 -0.007 0.000 0.856 804 R HN 0.641 nan 8.270 nan 0.000 0.437 805 Q N -0.084 119.712 119.800 -0.006 0.000 2.079 805 Q HA 0.251 4.591 4.340 -0.001 0.000 0.200 805 Q C 2.813 178.817 176.000 0.008 0.000 0.974 805 Q CA 2.344 58.147 55.803 -0.000 0.000 0.840 805 Q CB -1.280 27.451 28.738 -0.010 0.000 0.898 805 Q HN 1.111 nan 8.270 nan 0.000 0.430 806 V N 0.923 120.833 119.914 -0.006 0.000 2.392 806 V HA -0.291 3.828 4.120 -0.001 0.000 0.249 806 V C 2.525 178.643 176.094 0.040 0.000 1.059 806 V CA 2.560 64.861 62.300 0.001 0.000 1.051 806 V CB -0.670 31.132 31.823 -0.035 0.000 0.658 806 V HN 0.577 nan 8.190 nan 0.000 0.455 807 R N 0.077 120.593 120.500 0.026 0.000 2.092 807 R HA 0.060 4.399 4.340 -0.001 0.000 0.231 807 R C 2.487 178.821 176.300 0.057 0.000 1.119 807 R CA 1.244 57.368 56.100 0.040 0.000 0.970 807 R CB -0.360 29.951 30.300 0.019 0.000 0.864 807 R HN 0.664 nan 8.270 nan 0.000 0.440 808 A N 1.473 124.321 122.820 0.047 0.000 1.855 808 A HA -0.120 4.199 4.320 -0.001 0.000 0.215 808 A C 2.132 179.758 177.584 0.069 0.000 1.191 808 A CA 1.023 53.089 52.037 0.049 0.000 0.613 808 A CB -0.502 18.519 19.000 0.034 0.000 0.829 808 A HN 0.143 nan 8.150 nan 0.000 0.442 809 I N -0.068 120.553 120.570 0.085 0.000 2.091 809 I HA -0.353 3.816 4.170 -0.001 0.000 0.240 809 I C 2.445 178.655 176.117 0.154 0.000 1.046 809 I CA 1.745 63.123 61.300 0.130 0.000 1.306 809 I CB -0.425 37.682 38.000 0.178 0.000 1.018 809 I HN 0.324 nan 8.210 nan 0.000 0.404 810 L N 0.261 121.589 121.223 0.175 0.000 2.093 810 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 810 L C 3.091 180.039 176.870 0.130 0.000 1.085 810 L CA 1.657 56.606 54.840 0.183 0.000 0.755 810 L CB -1.154 41.036 42.059 0.219 0.000 0.904 810 L HN 0.370 nan 8.230 nan 0.000 0.435 811 E N 0.064 120.327 120.200 0.105 0.000 2.150 811 E HA -0.287 4.062 4.350 -0.001 0.000 0.193 811 E C 1.752 178.383 176.600 0.052 0.000 0.985 811 E CA 1.517 57.963 56.400 0.076 0.000 0.814 811 E CB -0.671 29.067 29.700 0.063 0.000 0.752 811 E HN 0.448 nan 8.360 nan 0.000 0.466 812 D N -0.280 120.154 120.400 0.056 0.000 2.182 812 D HA -0.054 4.585 4.640 -0.001 0.000 0.201 812 D C 1.322 177.639 176.300 0.027 0.000 0.986 812 D CA 0.656 54.681 54.000 0.042 0.000 0.847 812 D CB -0.080 40.752 40.800 0.053 0.000 0.942 812 D HN 0.435 nan 8.370 nan 0.000 0.467 813 L N -0.875 120.367 121.223 0.033 0.000 2.737 813 L HA 0.291 4.631 4.340 -0.001 0.000 0.236 813 L C 1.242 178.098 176.870 -0.024 0.000 1.219 813 L CA 0.133 54.967 54.840 -0.009 0.000 1.021 813 L CB -0.194 41.849 42.059 -0.027 0.000 1.291 813 L HN 0.123 nan 8.230 nan 0.000 0.470 814 G N 1.098 109.894 108.800 -0.007 0.000 2.198 814 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.260 814 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.260 814 G C 0.146 175.030 174.900 -0.026 0.000 1.025 814 G CA 0.111 45.197 45.100 -0.023 0.000 0.769 814 G HN 0.389 nan 8.290 nan 0.000 0.507 815 L N 0.393 121.640 121.223 0.040 0.000 2.637 815 L HA 0.292 4.631 4.340 -0.001 0.000 0.241 815 L C -2.284 174.735 176.870 0.248 0.000 1.398 815 L CA -1.924 52.984 54.840 0.114 0.000 0.895 815 L CB 1.615 43.787 42.059 0.187 0.000 1.183 815 L HN -0.113 nan 8.230 nan 0.000 0.497 816 P HA 0.170 nan 4.420 nan 0.000 0.268 816 P C -0.629 176.812 177.300 0.236 0.000 1.204 816 P CA 0.435 63.636 63.100 0.168 0.000 0.768 816 P CB 0.837 32.602 31.700 0.108 0.000 0.842 817 L N 1.477 122.773 121.223 0.122 0.000 2.350 817 L HA 0.572 4.911 4.340 -0.001 0.000 0.260 817 L C 0.725 177.585 176.870 -0.017 0.000 1.015 817 L CA -0.821 54.025 54.840 0.009 0.000 0.821 817 L CB 2.329 44.349 42.059 -0.065 0.000 1.370 817 L HN 0.296 nan 8.230 nan 0.000 0.416 818 T N -2.772 111.745 114.554 -0.063 0.000 2.918 818 T HA 0.225 4.574 4.350 -0.001 0.000 0.283 818 T C 0.993 175.656 174.700 -0.063 0.000 1.001 818 T CA -0.510 61.562 62.100 -0.048 0.000 1.041 818 T CB 1.560 70.400 68.868 -0.047 0.000 1.028 818 T HN 0.514 nan 8.240 nan 0.000 0.511 819 S N 1.164 116.837 115.700 -0.045 0.000 2.359 819 S HA -0.164 4.306 4.470 -0.001 0.000 0.223 819 S C 1.727 176.291 174.600 -0.061 0.000 1.039 819 S CA 1.595 59.768 58.200 -0.046 0.000 1.042 819 S CB -0.626 62.554 63.200 -0.034 0.000 0.915 819 S HN 0.819 nan 8.310 nan 0.000 0.439 820 D N 1.231 121.594 120.400 -0.061 0.000 2.116 820 D HA -0.125 4.515 4.640 -0.001 0.000 0.193 820 D C 1.590 177.832 176.300 -0.096 0.000 0.998 820 D CA 1.287 55.247 54.000 -0.068 0.000 0.836 820 D CB -0.532 40.233 40.800 -0.059 0.000 0.951 820 D HN 0.330 nan 8.370 nan 0.000 0.449 821 D N 0.664 120.987 120.400 -0.130 0.000 2.097 821 D HA -0.095 4.544 4.640 -0.001 0.000 0.195 821 D C 2.087 178.271 176.300 -0.192 0.000 0.989 821 D CA 1.358 55.234 54.000 -0.206 0.000 0.827 821 D CB -0.503 40.108 40.800 -0.315 0.000 0.966 821 D HN 0.141 nan 8.370 nan 0.000 0.456 822 A N 0.827 123.561 122.820 -0.144 0.000 1.908 822 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 822 A C 2.390 179.919 177.584 -0.092 0.000 1.181 822 A CA 1.151 53.127 52.037 -0.102 0.000 0.627 822 A CB -0.926 18.037 19.000 -0.062 0.000 0.818 822 A HN 0.226 nan 8.150 nan 0.000 0.445 823 L N -1.296 119.876 121.223 -0.084 0.000 2.042 823 L HA -0.247 4.092 4.340 -0.001 0.000 0.210 823 L C 2.920 179.740 176.870 -0.084 0.000 1.076 823 L CA 1.653 56.447 54.840 -0.075 0.000 0.749 823 L CB -0.517 41.505 42.059 -0.063 0.000 0.893 823 L HN 0.451 nan 8.230 nan 0.000 0.432 824 M N -1.067 118.476 119.600 -0.096 0.000 2.086 824 M HA -0.193 4.286 4.480 -0.001 0.000 0.261 824 M C 2.374 178.608 176.300 -0.110 0.000 1.067 824 M CA 1.438 56.680 55.300 -0.098 0.000 1.116 824 M CB -0.413 32.123 32.600 -0.106 0.000 1.348 824 M HN 0.073 nan 8.290 nan 0.000 0.407 825 V N 0.621 120.461 119.914 -0.123 0.000 2.324 825 V HA -0.281 3.838 4.120 -0.001 0.000 0.250 825 V C 2.343 178.363 176.094 -0.122 0.000 1.060 825 V CA 1.629 63.857 62.300 -0.119 0.000 1.042 825 V CB -0.635 31.129 31.823 -0.098 0.000 0.650 825 V HN 0.365 nan 8.190 nan 0.000 0.450 826 L N -0.142 121.016 121.223 -0.109 0.000 2.093 826 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 826 L C 2.431 179.241 176.870 -0.101 0.000 1.085 826 L CA 2.091 56.865 54.840 -0.110 0.000 0.755 826 L CB -0.736 41.264 42.059 -0.098 0.000 0.904 826 L HN 0.468 nan 8.230 nan 0.000 0.435 827 E N -1.107 119.037 120.200 -0.093 0.000 2.077 827 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 827 E C 2.141 178.676 176.600 -0.107 0.000 0.989 827 E CA 1.492 57.842 56.400 -0.084 0.000 0.800 827 E CB 0.047 29.703 29.700 -0.072 0.000 0.746 827 E HN 0.291 nan 8.360 nan 0.000 0.452 828 V N 0.749 120.580 119.914 -0.137 0.000 2.287 828 V HA -0.385 3.734 4.120 -0.001 0.000 0.248 828 V C 2.561 178.537 176.094 -0.196 0.000 1.053 828 V CA 1.825 64.005 62.300 -0.200 0.000 1.027 828 V CB -0.667 31.031 31.823 -0.208 0.000 0.646 828 V HN 0.559 nan 8.190 nan 0.000 0.447 829 C N -0.429 118.784 119.300 -0.145 0.000 2.413 829 C HA -0.199 4.260 4.460 -0.001 0.000 0.276 829 C C 3.380 178.345 174.990 -0.043 0.000 1.236 829 C CA 1.487 60.448 59.018 -0.095 0.000 1.735 829 C CB -1.454 26.227 27.740 -0.098 0.000 2.031 829 C HN 0.714 nan 8.230 nan 0.000 0.474 830 Q N 0.497 120.271 119.800 -0.044 0.000 2.061 830 Q HA -0.112 4.227 4.340 -0.001 0.000 0.204 830 Q C 2.319 178.309 176.000 -0.016 0.000 0.984 830 Q CA 2.503 58.302 55.803 -0.007 0.000 0.846 830 Q CB -1.204 27.521 28.738 -0.022 0.000 0.902 830 Q HN 0.788 nan 8.270 nan 0.000 0.421 831 A N -0.093 122.691 122.820 -0.060 0.000 1.892 831 A HA -0.068 4.251 4.320 -0.001 0.000 0.218 831 A C 2.602 180.172 177.584 -0.023 0.000 1.188 831 A CA 2.066 54.070 52.037 -0.055 0.000 0.631 831 A CB -0.764 18.147 19.000 -0.148 0.000 0.822 831 A HN 0.603 nan 8.150 nan 0.000 0.447 832 V N 0.728 120.570 119.914 -0.119 0.000 2.270 832 V HA -0.225 3.894 4.120 -0.001 0.000 0.245 832 V C 3.039 179.184 176.094 0.083 0.000 1.043 832 V CA 2.439 64.730 62.300 -0.014 0.000 1.014 832 V CB -0.866 30.898 31.823 -0.097 0.000 0.645 832 V HN 0.833 nan 8.190 nan 0.000 0.447 833 S N -0.337 115.389 115.700 0.043 0.000 2.399 833 S HA -0.338 4.131 4.470 -0.001 0.000 0.231 833 S C 1.955 176.547 174.600 -0.013 0.000 1.022 833 S CA 1.946 60.160 58.200 0.024 0.000 0.983 833 S CB -0.503 62.677 63.200 -0.034 0.000 0.803 833 S HN 0.684 nan 8.310 nan 0.000 0.480 834 Q N 1.599 121.396 119.800 -0.005 0.000 1.993 834 Q HA -0.142 4.198 4.340 -0.001 0.000 0.202 834 Q C 2.521 178.492 176.000 -0.049 0.000 0.984 834 Q CA 1.426 57.204 55.803 -0.041 0.000 0.837 834 Q CB -0.262 28.474 28.738 -0.003 0.000 0.902 834 Q HN 0.639 nan 8.270 nan 0.000 0.423 835 R N -0.246 120.278 120.500 0.040 0.000 2.103 835 R HA -0.222 4.117 4.340 -0.001 0.000 0.242 835 R C 2.158 178.449 176.300 -0.015 0.000 1.142 835 R CA 1.447 57.573 56.100 0.043 0.000 0.960 835 R CB -0.479 29.913 30.300 0.152 0.000 0.858 835 R HN 0.398 nan 8.270 nan 0.000 0.439 836 A N 0.703 123.539 122.820 0.028 0.000 1.873 836 A HA -0.201 4.118 4.320 -0.001 0.000 0.218 836 A C 2.391 179.916 177.584 -0.098 0.000 1.193 836 A CA 2.092 54.172 52.037 0.073 0.000 0.629 836 A CB -0.983 18.183 19.000 0.277 0.000 0.826 836 A HN 0.571 nan 8.150 nan 0.000 0.447 837 A N -1.050 121.471 122.820 -0.499 0.000 1.902 837 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 837 A C 2.150 179.453 177.584 -0.469 0.000 1.181 837 A CA 1.690 53.058 52.037 -1.116 0.000 0.623 837 A CB -0.574 17.770 19.000 -1.095 0.000 0.818 837 A HN 0.683 nan 8.150 nan 0.000 0.443 838 Q N -0.520 119.126 119.800 -0.257 0.000 2.079 838 Q HA -0.067 4.272 4.340 -0.001 0.000 0.200 838 Q C 2.152 178.104 176.000 -0.079 0.000 0.974 838 Q CA 1.288 57.011 55.803 -0.133 0.000 0.840 838 Q CB -0.309 28.381 28.738 -0.079 0.000 0.898 838 Q HN 0.672 nan 8.270 nan 0.000 0.430 839 L N 0.076 121.257 121.223 -0.071 0.000 1.989 839 L HA -0.258 4.081 4.340 -0.001 0.000 0.211 839 L C 2.826 179.703 176.870 0.011 0.000 1.071 839 L CA 1.065 55.899 54.840 -0.010 0.000 0.749 839 L CB -0.678 41.320 42.059 -0.103 0.000 0.890 839 L HN 0.443 nan 8.230 nan 0.000 0.431 840 C N 0.482 119.760 119.300 -0.037 0.000 2.401 840 C HA -0.168 4.291 4.460 -0.001 0.000 0.276 840 C C 2.865 177.910 174.990 0.093 0.000 1.233 840 C CA 1.024 60.076 59.018 0.057 0.000 1.753 840 C CB -1.371 26.513 27.740 0.240 0.000 2.029 840 C HN 0.667 nan 8.230 nan 0.000 0.478 841 G N 0.057 108.872 108.800 0.025 0.000 2.459 841 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.217 841 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.217 841 G C 2.041 176.975 174.900 0.056 0.000 1.183 841 G CA 1.252 46.385 45.100 0.055 0.000 0.776 841 G HN 0.812 nan 8.290 nan 0.000 0.552 842 A N 0.854 123.679 122.820 0.008 0.000 1.948 842 A HA 0.057 4.376 4.320 -0.001 0.000 0.220 842 A C 2.666 180.225 177.584 -0.042 0.000 1.177 842 A CA 2.347 54.374 52.037 -0.016 0.000 0.636 842 A CB -1.136 17.855 19.000 -0.016 0.000 0.815 842 A HN 0.596 nan 8.150 nan 0.000 0.449 843 G N -0.503 108.245 108.800 -0.086 0.000 2.484 843 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.215 843 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.215 843 G C 1.507 176.495 174.900 0.148 0.000 1.219 843 G CA 1.369 46.352 45.100 -0.194 0.000 0.791 843 G HN 0.372 nan 8.290 nan 0.000 0.550 844 V N 1.892 121.982 119.914 0.294 0.000 2.380 844 V HA -0.190 3.930 4.120 -0.001 0.000 0.251 844 V C 3.328 179.503 176.094 0.135 0.000 1.063 844 V CA 2.020 64.501 62.300 0.302 0.000 1.055 844 V CB -1.047 30.999 31.823 0.371 0.000 0.657 844 V HN 0.512 nan 8.190 nan 0.000 0.455 845 A N 0.237 123.113 122.820 0.093 0.000 1.883 845 A HA -0.173 4.146 4.320 -0.001 0.000 0.217 845 A C 2.466 180.042 177.584 -0.014 0.000 1.186 845 A CA 2.337 54.395 52.037 0.035 0.000 0.624 845 A CB -0.881 18.131 19.000 0.020 0.000 0.822 845 A HN 0.602 nan 8.150 nan 0.000 0.444 846 A N -0.755 122.044 122.820 -0.035 0.000 1.933 846 A HA 0.026 4.345 4.320 -0.001 0.000 0.218 846 A C 2.256 179.764 177.584 -0.126 0.000 1.175 846 A CA 1.801 53.788 52.037 -0.083 0.000 0.628 846 A CB -0.900 18.029 19.000 -0.120 0.000 0.814 846 A HN 0.381 nan 8.150 nan 0.000 0.444 847 V N 0.356 120.199 119.914 -0.119 0.000 2.237 847 V HA -0.257 3.862 4.120 -0.001 0.000 0.245 847 V C 2.770 178.712 176.094 -0.254 0.000 1.046 847 V CA 2.100 64.231 62.300 -0.281 0.000 1.007 847 V CB -1.101 30.602 31.823 -0.201 0.000 0.638 847 V HN 0.587 nan 8.190 nan 0.000 0.445 848 V N -1.603 118.232 119.914 -0.131 0.000 2.392 848 V HA -0.231 3.889 4.120 -0.001 0.000 0.249 848 V C 2.317 178.356 176.094 -0.092 0.000 1.059 848 V CA 2.080 64.319 62.300 -0.102 0.000 1.051 848 V CB -0.871 30.915 31.823 -0.061 0.000 0.658 848 V HN 0.528 nan 8.190 nan 0.000 0.455 849 E N 0.916 121.065 120.200 -0.084 0.000 2.047 849 E HA -0.204 4.145 4.350 -0.001 0.000 0.191 849 E C 2.154 178.702 176.600 -0.086 0.000 0.987 849 E CA 1.739 58.098 56.400 -0.068 0.000 0.799 849 E CB -0.224 29.444 29.700 -0.054 0.000 0.752 849 E HN 0.719 nan 8.360 nan 0.000 0.449 850 K N 1.277 121.597 120.400 -0.133 0.000 2.020 850 K HA -0.131 4.188 4.320 -0.001 0.000 0.212 850 K C 2.132 178.666 176.600 -0.109 0.000 1.050 850 K CA 1.227 57.429 56.287 -0.141 0.000 0.929 850 K CB -0.390 31.962 32.500 -0.247 0.000 0.714 850 K HN 0.034 nan 8.250 nan 0.000 0.443 851 I N 0.237 120.723 120.570 -0.140 0.000 2.208 851 I HA -0.301 3.868 4.170 -0.001 0.000 0.245 851 I C 2.742 178.839 176.117 -0.035 0.000 1.097 851 I CA 1.454 62.719 61.300 -0.059 0.000 1.363 851 I CB -0.331 37.636 38.000 -0.054 0.000 1.051 851 I HN 0.261 nan 8.210 nan 0.000 0.413 852 R N 1.071 121.544 120.500 -0.045 0.000 2.070 852 R HA -0.241 4.098 4.340 -0.001 0.000 0.233 852 R C 2.319 178.605 176.300 -0.023 0.000 1.137 852 R CA 2.066 58.148 56.100 -0.030 0.000 0.945 852 R CB -0.239 30.043 30.300 -0.030 0.000 0.845 852 R HN 0.355 nan 8.270 nan 0.000 0.430 853 E N -0.039 120.145 120.200 -0.028 0.000 2.110 853 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 853 E C 1.530 178.122 176.600 -0.014 0.000 0.988 853 E CA 1.338 57.725 56.400 -0.020 0.000 0.804 853 E CB 0.014 29.699 29.700 -0.025 0.000 0.745 853 E HN 0.334 nan 8.360 nan 0.000 0.458 854 N N 0.683 119.375 118.700 -0.012 0.000 2.149 854 N HA -0.155 4.584 4.740 -0.001 0.000 0.188 854 N C 1.077 176.587 175.510 0.000 0.000 1.019 854 N CA 1.184 54.235 53.050 0.001 0.000 0.857 854 N CB -0.148 38.349 38.487 0.018 0.000 0.997 854 N HN 0.192 nan 8.380 nan 0.000 0.426 855 R N -0.242 120.257 120.500 -0.003 0.000 2.388 855 R HA 0.222 4.561 4.340 -0.001 0.000 0.247 855 R C 0.733 177.030 176.300 -0.006 0.000 0.931 855 R CA 0.277 56.375 56.100 -0.003 0.000 1.082 855 R CB 0.087 30.384 30.300 -0.004 0.000 1.135 855 R HN 0.121 nan 8.270 nan 0.000 0.525 856 G N 1.778 110.574 108.800 -0.006 0.000 2.321 856 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.287 856 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.287 856 G C 0.102 174.998 174.900 -0.007 0.000 1.018 856 G CA 0.287 45.383 45.100 -0.006 0.000 0.855 856 G HN 0.223 nan 8.290 nan 0.000 0.507 857 L N -1.802 119.416 121.223 -0.008 0.000 2.421 857 L HA 0.674 5.013 4.340 -0.001 0.000 0.263 857 L C 1.598 178.463 176.870 -0.008 0.000 1.122 857 L CA 0.111 54.947 54.840 -0.008 0.000 0.804 857 L CB 0.773 42.827 42.059 -0.010 0.000 1.150 857 L HN 0.309 nan 8.230 nan 0.000 0.457 858 E N 0.768 120.965 120.200 -0.006 0.000 2.364 858 E HA 0.311 4.660 4.350 -0.001 0.000 0.196 858 E C 0.612 177.210 176.600 -0.004 0.000 0.990 858 E CA 0.978 57.375 56.400 -0.004 0.000 0.886 858 E CB 0.228 29.926 29.700 -0.003 0.000 0.866 858 E HN 0.751 nan 8.360 nan 0.000 0.493 859 E N -0.679 119.518 120.200 -0.006 0.000 2.356 859 E HA 0.736 5.085 4.350 -0.001 0.000 0.275 859 E C -1.270 175.324 176.600 -0.009 0.000 0.904 859 E CA -0.510 55.886 56.400 -0.006 0.000 0.757 859 E CB 1.566 31.265 29.700 -0.003 0.000 1.232 859 E HN 0.596 nan 8.360 nan 0.000 0.442 860 L N 1.113 122.329 121.223 -0.012 0.000 2.409 860 L HA 0.873 5.212 4.340 -0.001 0.000 0.272 860 L C -0.489 176.369 176.870 -0.020 0.000 0.980 860 L CA -0.712 54.117 54.840 -0.018 0.000 0.826 860 L CB 1.812 43.857 42.059 -0.024 0.000 1.268 860 L HN 0.982 nan 8.230 nan 0.000 0.407 861 A N 4.834 127.641 122.820 -0.021 0.000 2.256 861 A HA 0.757 5.076 4.320 -0.001 0.000 0.317 861 A C -1.242 176.321 177.584 -0.036 0.000 1.318 861 A CA -0.433 51.589 52.037 -0.025 0.000 0.894 861 A CB 1.021 20.011 19.000 -0.017 0.000 1.165 861 A HN 0.929 nan 8.150 nan 0.000 0.525 862 V N 2.670 122.550 119.914 -0.055 0.000 2.888 862 V HA 0.692 4.811 4.120 -0.001 0.000 0.309 862 V C -0.442 175.585 176.094 -0.113 0.000 1.114 862 V CA -0.324 61.932 62.300 -0.073 0.000 0.940 862 V CB 2.588 34.366 31.823 -0.075 0.000 1.021 862 V HN 0.900 nan 8.190 nan 0.000 0.426 863 S N 4.087 119.725 115.700 -0.104 0.000 2.565 863 S HA 0.774 5.243 4.470 -0.001 0.000 0.290 863 S C -0.739 173.763 174.600 -0.164 0.000 1.150 863 S CA -0.564 57.557 58.200 -0.131 0.000 1.058 863 S CB 1.794 64.955 63.200 -0.066 0.000 1.032 863 S HN 0.707 nan 8.310 nan 0.000 0.510 864 V N 2.096 121.865 119.914 -0.240 0.000 2.378 864 V HA 0.524 4.643 4.120 -0.001 0.000 0.288 864 V C 0.653 176.699 176.094 -0.079 0.000 1.016 864 V CA -0.742 61.434 62.300 -0.208 0.000 0.840 864 V CB 1.299 32.879 31.823 -0.405 0.000 0.994 864 V HN 1.014 nan 8.190 nan 0.000 0.431 865 G N 3.508 112.279 108.800 -0.048 0.000 2.360 865 G HA2 0.454 4.414 3.960 -0.001 0.000 0.279 865 G HA3 0.454 4.414 3.960 -0.001 0.000 0.279 865 G C -0.647 174.230 174.900 -0.039 0.000 1.189 865 G CA -0.052 45.036 45.100 -0.020 0.000 0.941 865 G HN 0.620 nan 8.290 nan 0.000 0.445 866 V N 2.927 122.813 119.914 -0.046 0.000 2.735 866 V HA 0.759 4.878 4.120 -0.001 0.000 0.310 866 V C -1.377 174.628 176.094 -0.149 0.000 1.061 866 V CA -0.856 61.346 62.300 -0.165 0.000 0.913 866 V CB 2.273 33.865 31.823 -0.385 0.000 1.005 866 V HN 0.754 nan 8.190 nan 0.000 0.428 867 D N 2.488 122.798 120.400 -0.149 0.000 2.596 867 D HA 0.784 5.424 4.640 -0.001 0.000 0.262 867 D C -0.555 175.725 176.300 -0.032 0.000 1.210 867 D CA 0.749 54.718 54.000 -0.051 0.000 0.873 867 D CB 2.390 43.175 40.800 -0.025 0.000 1.408 867 D HN 1.287 nan 8.370 nan 0.000 0.441 868 G N -0.263 108.554 108.800 0.027 0.000 2.634 868 G HA2 0.057 4.016 3.960 -0.001 0.000 0.568 868 G HA3 0.057 4.016 3.960 -0.001 0.000 0.568 868 G C 0.697 175.635 174.900 0.062 0.000 1.495 868 G CA 0.341 45.460 45.100 0.031 0.000 0.903 868 G HN 0.459 nan 8.290 nan 0.000 0.646 869 T N 0.739 115.311 114.554 0.031 0.000 2.720 869 T HA -0.164 4.185 4.350 -0.001 0.000 0.268 869 T C 2.464 177.174 174.700 0.015 0.000 1.037 869 T CA 1.989 64.107 62.100 0.030 0.000 1.144 869 T CB -0.162 68.719 68.868 0.021 0.000 0.864 869 T HN 1.103 nan 8.240 nan 0.000 0.444 870 L N 0.247 121.451 121.223 -0.033 0.000 1.970 870 L HA -0.030 4.309 4.340 -0.001 0.000 0.212 870 L C 2.404 179.183 176.870 -0.151 0.000 1.071 870 L CA 1.831 56.601 54.840 -0.117 0.000 0.751 870 L CB -1.194 40.709 42.059 -0.260 0.000 0.889 870 L HN 0.364 nan 8.230 nan 0.000 0.432 871 Y N 0.250 120.381 120.300 -0.282 0.000 2.097 871 Y HA -0.345 4.205 4.550 -0.001 0.000 0.282 871 Y C 2.969 178.866 175.900 -0.004 0.000 1.152 871 Y CA 2.923 60.931 58.100 -0.154 0.000 1.136 871 Y CB -0.457 37.971 38.460 -0.053 0.000 0.975 871 Y HN 0.135 nan 8.280 nan 0.000 0.498 872 K N 0.320 120.837 120.400 0.196 0.000 2.103 872 K HA -0.112 4.207 4.320 -0.001 0.000 0.207 872 K C 1.892 178.506 176.600 0.022 0.000 1.048 872 K CA 1.904 58.268 56.287 0.128 0.000 0.930 872 K CB -0.756 31.822 32.500 0.129 0.000 0.716 872 K HN 0.607 nan 8.250 nan 0.000 0.444 873 L N -1.215 120.017 121.223 0.015 0.000 2.316 873 L HA 0.227 4.566 4.340 -0.001 0.000 0.207 873 L C 1.557 178.421 176.870 -0.011 0.000 1.070 873 L CA -0.026 54.813 54.840 -0.002 0.000 0.820 873 L CB -0.310 41.751 42.059 0.003 0.000 0.992 873 L HN 0.388 nan 8.230 nan 0.000 0.466 874 H N 2.452 121.476 119.070 -0.076 0.000 2.964 874 H HA -0.006 4.549 4.556 -0.001 0.000 0.328 874 H C -1.646 173.653 175.328 -0.048 0.000 1.030 874 H CA -1.039 54.978 56.048 -0.051 0.000 1.445 874 H CB 1.594 31.348 29.762 -0.014 0.000 1.449 874 H HN -0.088 nan 8.280 nan 0.000 0.581 875 P HA -0.160 nan 4.420 nan 0.000 0.216 875 P C 1.453 178.753 177.300 -0.000 0.000 1.154 875 P CA 1.287 64.293 63.100 -0.157 0.000 0.865 875 P CB 0.379 31.927 31.700 -0.252 0.000 0.789 876 R N -3.329 117.283 120.500 0.187 0.000 2.287 876 R HA 0.253 4.592 4.340 -0.001 0.000 0.197 876 R C 1.932 178.303 176.300 0.117 0.000 0.900 876 R CA 0.043 56.226 56.100 0.139 0.000 1.052 876 R CB -1.787 28.580 30.300 0.113 0.000 1.117 876 R HN 0.190 nan 8.270 nan 0.000 0.568 877 F N 2.598 122.593 119.950 0.075 0.000 2.032 877 F HA -0.380 4.146 4.527 -0.001 0.000 0.297 877 F C 2.646 178.320 175.800 -0.209 0.000 1.125 877 F CA 2.591 60.502 58.000 -0.148 0.000 1.202 877 F CB -0.483 38.378 39.000 -0.231 0.000 0.958 877 F HN 0.277 nan 8.300 nan 0.000 0.491 878 S N -0.927 114.702 115.700 -0.118 0.000 2.359 878 S HA -0.234 4.236 4.470 -0.001 0.000 0.224 878 S C 2.130 176.570 174.600 -0.267 0.000 1.035 878 S CA 1.605 59.553 58.200 -0.420 0.000 1.018 878 S CB -1.078 61.646 63.200 -0.794 0.000 0.876 878 S HN 0.423 nan 8.310 nan 0.000 0.448 879 S N 1.161 116.754 115.700 -0.178 0.000 2.356 879 S HA -0.050 4.419 4.470 -0.001 0.000 0.223 879 S C 2.023 176.543 174.600 -0.133 0.000 1.032 879 S CA 1.259 59.383 58.200 -0.126 0.000 1.005 879 S CB -0.985 62.170 63.200 -0.075 0.000 0.867 879 S HN 0.467 nan 8.310 nan 0.000 0.449 880 L N 1.498 122.627 121.223 -0.157 0.000 2.191 880 L HA -0.014 4.325 4.340 -0.001 0.000 0.212 880 L C 2.228 178.980 176.870 -0.197 0.000 1.103 880 L CA 1.062 55.801 54.840 -0.168 0.000 0.769 880 L CB -1.085 40.854 42.059 -0.201 0.000 0.908 880 L HN 0.398 nan 8.230 nan 0.000 0.438 881 V N -0.390 119.367 119.914 -0.262 0.000 2.244 881 V HA -0.188 3.931 4.120 -0.001 0.000 0.244 881 V C 2.951 178.978 176.094 -0.112 0.000 1.042 881 V CA 1.831 64.009 62.300 -0.202 0.000 1.006 881 V CB -1.351 30.361 31.823 -0.185 0.000 0.641 881 V HN 0.631 nan 8.190 nan 0.000 0.446 882 A N 0.169 122.867 122.820 -0.204 0.000 1.940 882 A HA -0.298 4.021 4.320 -0.001 0.000 0.221 882 A C 2.397 180.009 177.584 0.047 0.000 1.190 882 A CA 2.786 54.793 52.037 -0.049 0.000 0.647 882 A CB -0.994 17.957 19.000 -0.081 0.000 0.821 882 A HN 0.653 nan 8.150 nan 0.000 0.457 883 A N -1.407 121.409 122.820 -0.007 0.000 1.902 883 A HA -0.078 4.242 4.320 -0.001 0.000 0.217 883 A C 2.291 179.892 177.584 0.028 0.000 1.181 883 A CA 2.300 54.343 52.037 0.011 0.000 0.623 883 A CB -1.199 17.792 19.000 -0.015 0.000 0.818 883 A HN 0.478 nan 8.150 nan 0.000 0.443 884 T N -0.497 114.065 114.554 0.013 0.000 2.904 884 T HA -0.056 4.293 4.350 -0.001 0.000 0.267 884 T C 1.800 176.536 174.700 0.060 0.000 1.059 884 T CA 1.326 63.441 62.100 0.025 0.000 1.137 884 T CB -0.270 68.593 68.868 -0.009 0.000 0.879 884 T HN 0.158 nan 8.240 nan 0.000 0.467 885 V N 1.462 121.436 119.914 0.099 0.000 2.515 885 V HA -0.131 3.989 4.120 -0.001 0.000 0.250 885 V C 2.600 178.756 176.094 0.103 0.000 1.058 885 V CA 1.466 63.846 62.300 0.134 0.000 1.064 885 V CB -0.546 31.428 31.823 0.252 0.000 0.675 885 V HN 0.384 nan 8.190 nan 0.000 0.461 886 R N -0.059 120.499 120.500 0.097 0.000 2.062 886 R HA -0.173 4.166 4.340 -0.001 0.000 0.231 886 R C 2.429 178.770 176.300 0.069 0.000 1.136 886 R CA 1.703 57.848 56.100 0.075 0.000 0.948 886 R CB -0.383 29.957 30.300 0.067 0.000 0.845 886 R HN 0.593 nan 8.270 nan 0.000 0.430 887 E N 0.812 121.057 120.200 0.075 0.000 2.097 887 E HA -0.214 4.135 4.350 -0.001 0.000 0.196 887 E C 1.723 178.404 176.600 0.136 0.000 1.000 887 E CA 1.294 57.757 56.400 0.105 0.000 0.804 887 E CB 0.080 29.856 29.700 0.126 0.000 0.740 887 E HN 0.288 nan 8.360 nan 0.000 0.454 888 L N -1.021 120.256 121.223 0.090 0.000 2.470 888 L HA 0.240 4.579 4.340 -0.001 0.000 0.219 888 L C 0.795 177.690 176.870 0.042 0.000 1.071 888 L CA 0.332 55.206 54.840 0.058 0.000 0.850 888 L CB 0.572 42.634 42.059 0.005 0.000 1.040 888 L HN 0.019 nan 8.230 nan 0.000 0.475 889 A N -0.195 122.651 122.820 0.045 0.000 3.159 889 A HA 0.462 4.781 4.320 -0.001 0.000 0.330 889 A C -2.104 175.501 177.584 0.034 0.000 1.032 889 A CA -0.920 51.135 52.037 0.030 0.000 0.841 889 A CB 0.037 19.050 19.000 0.022 0.000 1.093 889 A HN -0.056 nan 8.150 nan 0.000 0.478 890 P HA -0.068 nan 4.420 nan 0.000 0.218 890 P C 1.954 179.267 177.300 0.021 0.000 1.152 890 P CA 1.709 64.828 63.100 0.032 0.000 0.826 890 P CB 0.146 31.864 31.700 0.031 0.000 0.790 891 R N -0.726 119.782 120.500 0.014 0.000 2.293 891 R HA -0.005 4.334 4.340 -0.001 0.000 0.219 891 R C 1.091 177.393 176.300 0.003 0.000 1.091 891 R CA 1.009 57.113 56.100 0.007 0.000 1.004 891 R CB -1.879 28.423 30.300 0.003 0.000 0.865 891 R HN 0.287 nan 8.270 nan 0.000 0.469 892 C N -0.153 119.149 119.300 0.004 0.000 2.341 892 C HA 0.640 5.100 4.460 -0.001 0.000 0.338 892 C C 0.226 175.219 174.990 0.004 0.000 1.257 892 C CA -1.133 57.883 59.018 -0.004 0.000 1.883 892 C CB 1.735 29.467 27.740 -0.013 0.000 2.334 892 C HN 0.388 nan 8.230 nan 0.000 0.524 893 V N 4.578 124.489 119.914 -0.004 0.000 2.288 893 V HA 0.220 4.339 4.120 -0.001 0.000 0.266 893 V C 0.002 176.085 176.094 -0.019 0.000 1.048 893 V CA -0.102 62.200 62.300 0.003 0.000 0.842 893 V CB 0.654 32.479 31.823 0.004 0.000 1.064 893 V HN 0.718 nan 8.190 nan 0.000 0.472 894 V N 4.328 124.232 119.914 -0.017 0.000 2.364 894 V HA 0.354 4.473 4.120 -0.001 0.000 0.272 894 V C 0.563 176.599 176.094 -0.097 0.000 1.036 894 V CA -0.102 62.130 62.300 -0.112 0.000 0.880 894 V CB 1.605 33.330 31.823 -0.162 0.000 0.991 894 V HN 0.822 nan 8.190 nan 0.000 0.460 895 T N 6.019 120.485 114.554 -0.146 0.000 2.795 895 T HA 0.600 4.949 4.350 -0.001 0.000 0.282 895 T C -0.530 174.072 174.700 -0.163 0.000 0.980 895 T CA -0.031 62.047 62.100 -0.037 0.000 1.012 895 T CB 0.587 69.456 68.868 0.001 0.000 0.936 895 T HN 0.303 nan 8.240 nan 0.000 0.457 896 F N 2.706 122.703 119.950 0.080 0.000 2.415 896 F HA 0.500 5.026 4.527 -0.001 0.000 0.348 896 F C 0.074 175.927 175.800 0.090 0.000 1.119 896 F CA -0.998 57.059 58.000 0.094 0.000 1.069 896 F CB 0.903 40.007 39.000 0.173 0.000 1.124 896 F HN 0.197 nan 8.300 nan 0.000 0.472 897 L N 3.519 124.858 121.223 0.192 0.000 2.287 897 L HA 0.422 4.762 4.340 -0.001 0.000 0.287 897 L C -0.350 176.604 176.870 0.140 0.000 1.022 897 L CA -0.787 54.136 54.840 0.139 0.000 0.814 897 L CB 1.644 43.745 42.059 0.071 0.000 1.217 897 L HN 0.569 nan 8.230 nan 0.000 0.420 898 Q N 2.130 122.026 119.800 0.160 0.000 2.294 898 Q HA 0.189 4.528 4.340 -0.001 0.000 0.257 898 Q C -0.096 175.960 176.000 0.094 0.000 0.955 898 Q CA -0.158 55.734 55.803 0.149 0.000 0.936 898 Q CB 1.493 30.356 28.738 0.207 0.000 1.188 898 Q HN 0.607 nan 8.270 nan 0.000 0.420 899 S N 3.166 118.903 115.700 0.062 0.000 2.481 899 S HA 0.165 4.634 4.470 -0.001 0.000 0.282 899 S C 0.989 175.617 174.600 0.047 0.000 1.243 899 S CA 0.527 58.754 58.200 0.044 0.000 1.078 899 S CB 0.612 63.824 63.200 0.020 0.000 0.916 899 S HN 0.806 nan 8.310 nan 0.000 0.495 900 E N 3.375 123.603 120.200 0.047 0.000 2.299 900 E HA -0.010 4.339 4.350 -0.001 0.000 0.193 900 E C 0.759 177.375 176.600 0.026 0.000 0.998 900 E CA 0.955 57.380 56.400 0.041 0.000 0.851 900 E CB -0.161 29.566 29.700 0.045 0.000 0.795 900 E HN 0.859 nan 8.360 nan 0.000 0.492 901 D N -1.225 119.185 120.400 0.017 0.000 2.469 901 D HA 0.343 4.983 4.640 -0.001 0.000 0.215 901 D C 0.984 177.279 176.300 -0.008 0.000 1.154 901 D CA 0.660 54.661 54.000 0.001 0.000 0.832 901 D CB 0.607 41.400 40.800 -0.012 0.000 1.008 901 D HN 0.566 nan 8.370 nan 0.000 0.506 902 G N 0.963 109.762 108.800 -0.002 0.000 2.796 902 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.226 902 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.226 902 G C 0.872 175.764 174.900 -0.013 0.000 1.381 902 G CA -0.017 45.079 45.100 -0.006 0.000 0.867 902 G HN 0.077 nan 8.290 nan 0.000 0.552 903 S N 0.381 116.074 115.700 -0.010 0.000 2.453 903 S HA 0.062 4.531 4.470 -0.001 0.000 0.231 903 S C 2.617 177.210 174.600 -0.012 0.000 1.005 903 S CA 1.808 60.002 58.200 -0.010 0.000 0.949 903 S CB -0.366 62.835 63.200 0.001 0.000 0.774 903 S HN 1.625 nan 8.310 nan 0.000 0.510 904 G N 2.139 110.930 108.800 -0.014 0.000 2.469 904 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.220 904 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.220 904 G C 1.308 176.179 174.900 -0.048 0.000 1.136 904 G CA 1.148 46.234 45.100 -0.023 0.000 0.759 904 G HN 0.486 nan 8.290 nan 0.000 0.562 905 K N 0.222 120.587 120.400 -0.059 0.000 2.026 905 K HA -0.034 4.285 4.320 -0.001 0.000 0.208 905 K C 2.666 179.197 176.600 -0.115 0.000 1.048 905 K CA 1.498 57.725 56.287 -0.100 0.000 0.929 905 K CB -0.616 31.820 32.500 -0.106 0.000 0.713 905 K HN 0.237 nan 8.250 nan 0.000 0.439 906 G N 0.288 109.043 108.800 -0.074 0.000 2.402 906 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.216 906 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.216 906 G C 1.582 176.433 174.900 -0.082 0.000 1.162 906 G CA 0.850 45.912 45.100 -0.063 0.000 0.777 906 G HN 0.444 nan 8.290 nan 0.000 0.539 907 A N 1.446 124.228 122.820 -0.065 0.000 1.892 907 A HA 0.105 4.424 4.320 -0.001 0.000 0.218 907 A C 2.847 180.334 177.584 -0.162 0.000 1.188 907 A CA 2.647 54.648 52.037 -0.059 0.000 0.631 907 A CB -0.993 18.008 19.000 0.002 0.000 0.822 907 A HN 0.887 nan 8.150 nan 0.000 0.447 908 A N -0.433 122.250 122.820 -0.229 0.000 1.908 908 A HA -0.097 4.222 4.320 -0.001 0.000 0.218 908 A C 2.191 179.341 177.584 -0.724 0.000 1.181 908 A CA 1.641 53.364 52.037 -0.523 0.000 0.627 908 A CB -0.655 18.144 19.000 -0.335 0.000 0.818 908 A HN 0.503 nan 8.150 nan 0.000 0.445 909 L N -0.623 120.378 121.223 -0.370 0.000 2.083 909 L HA -0.161 4.178 4.340 -0.001 0.000 0.209 909 L C 2.512 179.264 176.870 -0.196 0.000 1.083 909 L CA 1.023 55.717 54.840 -0.243 0.000 0.752 909 L CB -0.533 41.468 42.059 -0.096 0.000 0.899 909 L HN 0.262 nan 8.230 nan 0.000 0.433 910 V N -0.737 119.078 119.914 -0.165 0.000 2.307 910 V HA -0.258 3.861 4.120 -0.001 0.000 0.245 910 V C 2.539 178.569 176.094 -0.107 0.000 1.045 910 V CA 2.291 64.535 62.300 -0.094 0.000 1.024 910 V CB -0.811 30.980 31.823 -0.053 0.000 0.651 910 V HN 0.461 nan 8.190 nan 0.000 0.449 911 T N 0.695 115.137 114.554 -0.188 0.000 2.737 911 T HA -0.231 4.118 4.350 -0.001 0.000 0.269 911 T C 2.077 176.742 174.700 -0.057 0.000 1.040 911 T CA 1.638 63.661 62.100 -0.129 0.000 1.142 911 T CB -0.513 68.251 68.868 -0.172 0.000 0.861 911 T HN 0.580 nan 8.240 nan 0.000 0.456 912 A N 1.042 123.720 122.820 -0.236 0.000 1.917 912 A HA -0.116 4.203 4.320 -0.001 0.000 0.219 912 A C 2.596 180.237 177.584 0.095 0.000 1.182 912 A CA 1.795 53.878 52.037 0.077 0.000 0.633 912 A CB -1.055 17.962 19.000 0.029 0.000 0.819 912 A HN 0.401 nan 8.150 nan 0.000 0.448 913 V N -0.372 119.559 119.914 0.029 0.000 2.358 913 V HA -0.187 3.932 4.120 -0.001 0.000 0.246 913 V C 3.018 179.142 176.094 0.049 0.000 1.047 913 V CA 1.746 64.070 62.300 0.040 0.000 1.035 913 V CB -1.333 30.504 31.823 0.023 0.000 0.658 913 V HN 0.617 nan 8.190 nan 0.000 0.452 914 A N -0.771 122.076 122.820 0.045 0.000 1.978 914 A HA -0.263 4.057 4.320 -0.001 0.000 0.220 914 A C 2.343 179.966 177.584 0.065 0.000 1.170 914 A CA 2.317 54.383 52.037 0.049 0.000 0.636 914 A CB -1.036 17.991 19.000 0.045 0.000 0.810 914 A HN 0.613 nan 8.150 nan 0.000 0.448 915 C N -1.563 117.797 119.300 0.100 0.000 2.476 915 C HA 0.069 4.528 4.460 -0.001 0.000 0.278 915 C C 3.467 178.501 174.990 0.073 0.000 1.274 915 C CA 1.297 60.376 59.018 0.103 0.000 1.713 915 C CB -1.505 26.329 27.740 0.158 0.000 2.039 915 C HN 0.779 nan 8.230 nan 0.000 0.484 916 R N 0.681 121.226 120.500 0.075 0.000 2.091 916 R HA -0.023 4.316 4.340 -0.001 0.000 0.238 916 R C 2.250 178.575 176.300 0.042 0.000 1.136 916 R CA 2.252 58.386 56.100 0.056 0.000 0.959 916 R CB -1.831 28.503 30.300 0.056 0.000 0.856 916 R HN 0.656 nan 8.270 nan 0.000 0.437 917 L N -0.301 120.947 121.223 0.041 0.000 2.191 917 L HA 0.422 4.761 4.340 -0.001 0.000 0.212 917 L C 2.903 179.787 176.870 0.024 0.000 1.103 917 L CA 2.674 57.533 54.840 0.031 0.000 0.769 917 L CB -1.574 40.504 42.059 0.031 0.000 0.908 917 L HN 0.778 nan 8.230 nan 0.000 0.438 918 A N -1.071 121.765 122.820 0.027 0.000 1.911 918 A HA 0.372 4.691 4.320 -0.001 0.000 0.212 918 A C 1.932 179.527 177.584 0.018 0.000 1.189 918 A CA 1.373 53.422 52.037 0.020 0.000 0.639 918 A CB -0.617 18.397 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 0.024 0.000 2.315 919 Q HA 0.000 4.339 4.340 -0.001 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