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 1qco_1_B DATA FIRST_RESID 499 DATA SEQUENCE GSMSFIPVAE DSDFPIQNLP YGVFSTQSNP KPRIGVAIGD QILDLSVIKH DATA SEQUENCE LFTGPALSKH QHVFDETTLN NFMGLGQAAW KEARASLQNL LSASQARLRD DATA SEQUENCE DKELRQRAFT SQASATMHLP ATIGDYTDFY SSRQHATNVG IMFRGKENAL DATA SEQUENCE LPNWLHLPVG YHGRASSIVV SGTPIRRPMG QMRPDNSKPP VYGACRLLDM DATA SEQUENCE ELEMAFFVGP GNRFGEPIPI SKAHEHIFGM VLMNDWSARD IQQWEYVPLG DATA SEQUENCE PFLGKSFGTT ISPWVVPMDA LMPFVVPNPK QDPKPLPYLC HSQPYTFDIN DATA SEQUENCE LSVSLKGEGM SQAATICRSN FKHMYWTMLQ QLTHHSVNGC NLRPGDLLAS DATA SEQUENCE GTISGSDPES FGSMLELSWK GTKAIDVGQG QTRTFLLDGD EVIITGHCQG DATA SEQUENCE DGYRVGFGQC AGKVLPALS 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 499 G HA2 0.000 nan 3.960 nan 0.000 0.244 499 G HA3 0.000 3.963 3.960 0.004 0.000 0.244 499 G C 0.000 174.856 174.900 -0.073 0.000 0.946 499 G CA 0.000 45.070 45.100 -0.051 0.000 0.502 500 S N -1.021 114.619 115.700 -0.100 0.000 2.625 500 S HA 0.810 5.283 4.470 0.004 0.000 0.271 500 S C -0.520 174.037 174.600 -0.072 0.000 1.161 500 S CA -0.600 57.553 58.200 -0.077 0.000 0.820 500 S CB 1.757 64.900 63.200 -0.094 0.000 1.137 500 S HN 1.214 nan 8.310 nan 0.000 0.470 501 M N -0.045 119.525 119.600 -0.050 0.000 2.550 501 M HA 0.784 5.266 4.480 0.004 0.000 0.292 501 M C -0.657 175.614 176.300 -0.047 0.000 1.221 501 M CA -0.606 54.664 55.300 -0.050 0.000 0.873 501 M CB 2.015 34.598 32.600 -0.030 0.000 1.727 501 M HN 0.494 nan 8.290 nan 0.000 0.459 502 S N 0.348 115.995 115.700 -0.088 0.000 2.722 502 S HA 0.618 5.090 4.470 0.004 0.000 0.292 502 S C 0.379 174.915 174.600 -0.107 0.000 1.135 502 S CA -0.801 57.309 58.200 -0.150 0.000 1.003 502 S CB 0.662 63.692 63.200 -0.284 0.000 1.067 502 S HN 0.731 nan 8.310 nan 0.000 0.546 503 F N 1.147 121.065 119.950 -0.053 0.000 2.661 503 F HA 0.466 4.995 4.527 0.004 0.000 0.298 503 F C 0.407 176.144 175.800 -0.106 0.000 1.137 503 F CA -0.384 57.576 58.000 -0.067 0.000 1.454 503 F CB -0.155 38.811 39.000 -0.058 0.000 1.103 503 F HN 0.174 nan 8.300 nan 0.000 0.577 504 I N 3.412 123.685 120.570 -0.495 0.000 2.342 504 I HA 0.276 4.449 4.170 0.004 0.000 0.291 504 I C -2.329 173.658 176.117 -0.217 0.000 1.010 504 I CA -2.804 58.255 61.300 -0.401 0.000 1.308 504 I CB 0.545 38.211 38.000 -0.558 0.000 1.400 504 I HN -0.128 nan 8.210 nan 0.000 0.488 505 P HA 0.160 nan 4.420 nan 0.000 0.271 505 P C -0.695 176.553 177.300 -0.087 0.000 1.226 505 P CA -0.038 63.009 63.100 -0.087 0.000 0.765 505 P CB 0.702 32.365 31.700 -0.062 0.000 0.835 506 V N 3.243 123.116 119.914 -0.068 0.000 2.483 506 V HA 0.538 4.661 4.120 0.004 0.000 0.297 506 V C 0.335 176.409 176.094 -0.034 0.000 1.027 506 V CA -1.086 61.182 62.300 -0.054 0.000 0.855 506 V CB 1.543 33.331 31.823 -0.058 0.000 0.995 506 V HN 0.656 nan 8.190 nan 0.000 0.424 507 A N 2.870 125.673 122.820 -0.028 0.000 2.498 507 A HA 0.178 4.500 4.320 0.004 0.000 0.239 507 A C 1.279 178.852 177.584 -0.018 0.000 1.068 507 A CA 0.251 52.275 52.037 -0.022 0.000 0.766 507 A CB 0.061 19.049 19.000 -0.021 0.000 1.003 507 A HN 1.028 nan 8.150 nan 0.000 0.497 508 E N 1.047 121.240 120.200 -0.012 0.000 2.267 508 E HA -0.225 4.128 4.350 0.004 0.000 0.197 508 E C 0.748 177.342 176.600 -0.010 0.000 0.998 508 E CA 1.550 57.950 56.400 -0.000 0.000 0.830 508 E CB 0.061 29.762 29.700 0.001 0.000 0.751 508 E HN 0.857 nan 8.360 nan 0.000 0.491 509 D N -0.193 120.189 120.400 -0.029 0.000 2.349 509 D HA -0.043 4.600 4.640 0.004 0.000 0.214 509 D C 0.594 176.858 176.300 -0.060 0.000 1.063 509 D CA -0.052 53.918 54.000 -0.049 0.000 0.847 509 D CB 0.039 40.805 40.800 -0.056 0.000 0.933 509 D HN -0.092 nan 8.370 nan 0.000 0.513 510 S N 0.458 116.121 115.700 -0.062 0.000 2.563 510 S HA -0.047 4.426 4.470 0.004 0.000 0.284 510 S C 0.711 175.182 174.600 -0.216 0.000 1.331 510 S CA -0.236 57.896 58.200 -0.114 0.000 1.047 510 S CB 0.963 64.120 63.200 -0.072 0.000 0.859 510 S HN -0.047 nan 8.310 nan 0.000 0.514 511 D N 2.419 122.527 120.400 -0.488 0.000 2.317 511 D HA 0.063 4.705 4.640 0.004 0.000 0.211 511 D C -0.097 175.648 176.300 -0.925 0.000 0.966 511 D CA 1.011 54.517 54.000 -0.824 0.000 0.876 511 D CB -0.051 39.873 40.800 -1.460 0.000 0.927 511 D HN 0.612 nan 8.370 nan 0.000 0.519 512 F N 1.081 120.932 119.950 -0.165 0.000 2.532 512 F HA 0.308 4.838 4.527 0.005 0.000 0.313 512 F C -2.088 173.604 175.800 -0.179 0.000 1.301 512 F CA -1.966 55.896 58.000 -0.230 0.000 1.154 512 F CB 0.985 39.775 39.000 -0.350 0.000 1.335 512 F HN -0.208 nan 8.300 nan 0.000 0.542 513 P HA 0.145 nan 4.420 nan 0.000 0.282 513 P C 1.212 178.467 177.300 -0.075 0.000 1.287 513 P CA -0.352 62.725 63.100 -0.038 0.000 0.792 513 P CB 1.944 33.642 31.700 -0.004 0.000 1.163 514 I N -0.313 120.191 120.570 -0.110 0.000 2.700 514 I HA -0.252 3.921 4.170 0.004 0.000 0.261 514 I C 1.684 177.723 176.117 -0.130 0.000 1.219 514 I CA 1.394 62.620 61.300 -0.123 0.000 1.463 514 I CB -0.105 37.821 38.000 -0.123 0.000 1.092 514 I HN 0.242 nan 8.210 nan 0.000 0.452 515 Q N 0.042 119.742 119.800 -0.166 0.000 2.432 515 Q HA -0.077 4.266 4.340 0.004 0.000 0.205 515 Q C 1.591 177.559 176.000 -0.054 0.000 0.945 515 Q CA 0.621 56.318 55.803 -0.177 0.000 0.924 515 Q CB -0.087 28.386 28.738 -0.441 0.000 1.016 515 Q HN 0.460 nan 8.270 nan 0.000 0.503 516 N N 0.332 119.002 118.700 -0.050 0.000 2.429 516 N HA 0.064 4.807 4.740 0.004 0.000 0.220 516 N C -0.328 175.113 175.510 -0.115 0.000 1.024 516 N CA 0.494 53.510 53.050 -0.056 0.000 1.105 516 N CB 0.235 38.691 38.487 -0.051 0.000 1.376 516 N HN 0.130 nan 8.380 nan 0.000 0.565 517 L N 0.591 121.719 121.223 -0.158 0.000 3.573 517 L HA -0.118 4.224 4.340 0.004 0.000 0.578 517 L C -2.434 174.203 176.870 -0.388 0.000 1.299 517 L CA -0.460 54.220 54.840 -0.267 0.000 0.914 517 L CB -1.605 40.319 42.059 -0.225 0.000 1.563 517 L HN 0.338 nan 8.230 nan 0.000 0.860 518 P HA 0.258 nan 4.420 nan 0.000 0.279 518 P C -0.823 176.412 177.300 -0.108 0.000 1.252 518 P CA -0.162 62.834 63.100 -0.173 0.000 0.811 518 P CB 0.721 32.420 31.700 -0.003 0.000 1.035 519 Y N -0.261 120.230 120.300 0.319 0.000 2.361 519 Y HA 0.658 5.211 4.550 0.003 0.000 0.332 519 Y C 1.281 177.378 175.900 0.328 0.000 1.101 519 Y CA 0.160 58.467 58.100 0.345 0.000 1.137 519 Y CB 1.873 40.532 38.460 0.331 0.000 1.207 519 Y HN 0.556 nan 8.280 nan 0.000 0.463 520 G N 0.538 109.534 108.800 0.326 0.000 2.684 520 G HA2 0.583 4.546 3.960 0.004 0.000 0.290 520 G HA3 0.583 4.546 3.960 0.004 0.000 0.290 520 G C -2.188 172.697 174.900 -0.024 0.000 1.425 520 G CA -0.803 44.210 45.100 -0.145 0.000 0.822 520 G HN 0.416 nan 8.290 nan 0.000 0.482 521 V N 0.892 120.759 119.914 -0.078 0.000 2.448 521 V HA 0.771 4.893 4.120 0.004 0.000 0.295 521 V C -0.536 175.644 176.094 0.143 0.000 1.025 521 V CA -0.497 61.822 62.300 0.031 0.000 0.859 521 V CB 0.497 32.295 31.823 -0.042 0.000 0.988 521 V HN 0.813 nan 8.190 nan 0.000 0.431 522 F N 2.521 122.449 119.950 -0.036 0.000 2.664 522 F HA 0.969 5.499 4.527 0.006 0.000 0.317 522 F C -0.274 175.564 175.800 0.063 0.000 1.108 522 F CA -0.666 57.380 58.000 0.076 0.000 0.957 522 F CB 2.004 41.011 39.000 0.011 0.000 1.365 522 F HN 0.471 nan 8.300 nan 0.000 0.475 523 S N -0.198 115.545 115.700 0.072 0.000 2.651 523 S HA 0.910 5.383 4.470 0.004 0.000 0.279 523 S C -0.965 173.725 174.600 0.150 0.000 1.148 523 S CA -0.150 58.010 58.200 -0.066 0.000 0.837 523 S CB 1.620 64.862 63.200 0.069 0.000 1.138 523 S HN 1.272 nan 8.310 nan 0.000 0.478 524 T N -1.768 112.843 114.554 0.094 0.000 2.838 524 T HA 0.492 4.845 4.350 0.004 0.000 0.292 524 T C 0.579 175.328 174.700 0.081 0.000 1.113 524 T CA -0.851 61.331 62.100 0.137 0.000 1.008 524 T CB 1.269 70.238 68.868 0.168 0.000 1.259 524 T HN 0.568 nan 8.240 nan 0.000 0.520 525 Q N 0.410 120.255 119.800 0.076 0.000 2.119 525 Q HA -0.066 4.277 4.340 0.004 0.000 0.201 525 Q C 2.430 178.455 176.000 0.042 0.000 0.972 525 Q CA 1.732 57.566 55.803 0.053 0.000 0.847 525 Q CB -0.219 28.548 28.738 0.049 0.000 0.903 525 Q HN 0.857 nan 8.270 nan 0.000 0.433 526 S N -0.076 115.653 115.700 0.048 0.000 2.453 526 S HA -0.082 4.391 4.470 0.004 0.000 0.231 526 S C 0.604 175.218 174.600 0.023 0.000 1.005 526 S CA 0.383 58.605 58.200 0.037 0.000 0.949 526 S CB -0.014 63.214 63.200 0.046 0.000 0.774 526 S HN 0.332 nan 8.310 nan 0.000 0.510 527 N N 1.114 119.825 118.700 0.017 0.000 2.571 527 N HA 0.248 4.991 4.740 0.004 0.000 0.286 527 N C -2.704 172.786 175.510 -0.034 0.000 1.138 527 N CA -1.596 51.446 53.050 -0.013 0.000 0.859 527 N CB 1.892 40.364 38.487 -0.026 0.000 1.414 527 N HN -0.062 nan 8.380 nan 0.000 0.529 528 P HA -0.069 nan 4.420 nan 0.000 0.233 528 P C -0.083 177.168 177.300 -0.083 0.000 1.167 528 P CA 0.577 63.659 63.100 -0.029 0.000 0.770 528 P CB 0.285 31.978 31.700 -0.011 0.000 0.837 529 K N 1.828 122.156 120.400 -0.119 0.000 2.379 529 K HA 0.215 4.538 4.320 0.004 0.000 0.284 529 K C -2.367 174.063 176.600 -0.282 0.000 1.044 529 K CA -1.953 54.233 56.287 -0.169 0.000 0.974 529 K CB 0.208 32.625 32.500 -0.138 0.000 0.962 529 K HN -0.057 nan 8.250 nan 0.000 0.474 530 P HA 0.055 nan 4.420 nan 0.000 0.271 530 P C -1.196 175.870 177.300 -0.391 0.000 1.220 530 P CA 0.040 62.834 63.100 -0.510 0.000 0.768 530 P CB 0.651 31.979 31.700 -0.620 0.000 0.848 531 R N 2.475 122.692 120.500 -0.473 0.000 2.799 531 R HA 0.619 4.961 4.340 0.004 0.000 0.270 531 R C -0.867 175.336 176.300 -0.161 0.000 1.010 531 R CA -1.103 54.799 56.100 -0.329 0.000 0.916 531 R CB 1.062 31.148 30.300 -0.356 0.000 1.228 531 R HN 0.206 nan 8.270 nan 0.000 0.469 532 I N 0.932 121.513 120.570 0.018 0.000 2.441 532 I HA 0.425 4.597 4.170 0.004 0.000 0.287 532 I C 0.471 176.789 176.117 0.335 0.000 1.049 532 I CA -0.027 61.376 61.300 0.171 0.000 1.381 532 I CB 1.522 39.610 38.000 0.146 0.000 1.409 532 I HN 0.841 nan 8.210 nan 0.000 0.523 533 G N 4.732 113.779 108.800 0.412 0.000 2.694 533 G HA2 0.686 4.648 3.960 0.004 0.000 0.290 533 G HA3 0.686 4.648 3.960 0.004 0.000 0.290 533 G C -1.663 173.393 174.900 0.260 0.000 1.386 533 G CA -0.426 44.861 45.100 0.312 0.000 0.872 533 G HN 0.330 nan 8.290 nan 0.000 0.475 534 V N 0.232 120.180 119.914 0.056 0.000 2.656 534 V HA 0.712 4.834 4.120 0.004 0.000 0.307 534 V C 0.419 176.308 176.094 -0.342 0.000 1.051 534 V CA -0.704 61.530 62.300 -0.109 0.000 0.893 534 V CB 1.580 33.267 31.823 -0.227 0.000 0.999 534 V HN 1.207 nan 8.190 nan 0.000 0.426 535 A N 4.834 127.176 122.820 -0.796 0.000 2.363 535 A HA 0.812 5.134 4.320 0.004 0.000 0.270 535 A C -0.753 176.457 177.584 -0.623 0.000 1.121 535 A CA -0.074 51.281 52.037 -1.137 0.000 0.800 535 A CB 0.367 17.849 19.000 -2.529 0.000 1.052 535 A HN 0.901 nan 8.150 nan 0.000 0.493 536 I N 2.059 122.387 120.570 -0.402 0.000 2.599 536 I HA 0.566 4.739 4.170 0.004 0.000 0.285 536 I C 0.568 176.600 176.117 -0.141 0.000 1.168 536 I CA 1.253 62.433 61.300 -0.200 0.000 1.060 536 I CB 1.029 38.940 38.000 -0.148 0.000 1.249 536 I HN 1.704 nan 8.210 nan 0.000 0.442 537 G N 6.522 115.292 108.800 -0.051 0.000 2.561 537 G HA2 -0.332 3.631 3.960 0.004 0.000 0.289 537 G HA3 -0.332 3.631 3.960 0.004 0.000 0.289 537 G C 0.236 175.144 174.900 0.013 0.000 1.169 537 G CA 0.721 45.804 45.100 -0.027 0.000 0.980 537 G HN 1.096 nan 8.290 nan 0.000 0.550 538 D N 0.705 121.088 120.400 -0.028 0.000 2.388 538 D HA 0.292 4.935 4.640 0.004 0.000 0.221 538 D C 0.807 177.077 176.300 -0.050 0.000 1.133 538 D CA 0.420 54.414 54.000 -0.009 0.000 0.831 538 D CB 0.242 41.044 40.800 0.005 0.000 0.962 538 D HN 0.485 nan 8.370 nan 0.000 0.502 539 Q N 0.038 119.784 119.800 -0.090 0.000 2.333 539 Q HA 0.581 4.923 4.340 0.004 0.000 0.266 539 Q C -0.247 175.682 176.000 -0.119 0.000 1.053 539 Q CA -0.747 55.023 55.803 -0.055 0.000 0.890 539 Q CB 2.577 31.313 28.738 -0.003 0.000 1.337 539 Q HN 0.163 nan 8.270 nan 0.000 0.474 540 I N 1.625 122.151 120.570 -0.074 0.000 2.466 540 I HA 0.221 4.394 4.170 0.004 0.000 0.289 540 I C -0.956 175.068 176.117 -0.154 0.000 1.026 540 I CA -0.983 60.186 61.300 -0.219 0.000 1.078 540 I CB 1.926 39.631 38.000 -0.491 0.000 1.249 540 I HN 0.271 nan 8.210 nan 0.000 0.429 541 L N 6.301 127.400 121.223 -0.206 0.000 2.257 541 L HA 0.398 4.740 4.340 0.004 0.000 0.290 541 L C -0.158 176.596 176.870 -0.194 0.000 1.044 541 L CA 0.118 54.729 54.840 -0.381 0.000 0.810 541 L CB 0.794 42.614 42.059 -0.400 0.000 1.193 541 L HN 0.432 nan 8.230 nan 0.000 0.425 542 D N 4.731 125.059 120.400 -0.121 0.000 2.344 542 D HA 0.076 4.718 4.640 0.004 0.000 0.253 542 D C 1.097 177.400 176.300 0.006 0.000 1.255 542 D CA 0.105 54.173 54.000 0.113 0.000 0.894 542 D CB 0.795 41.707 40.800 0.188 0.000 1.067 542 D HN 0.668 nan 8.370 nan 0.000 0.492 543 L N 2.826 124.068 121.223 0.032 0.000 2.291 543 L HA -0.140 4.202 4.340 0.004 0.000 0.214 543 L C 2.383 179.271 176.870 0.030 0.000 1.120 543 L CA 0.714 55.523 54.840 -0.051 0.000 0.799 543 L CB -0.452 41.485 42.059 -0.202 0.000 0.925 543 L HN 0.375 nan 8.230 nan 0.000 0.446 544 S N -0.825 114.921 115.700 0.075 0.000 2.447 544 S HA -0.083 4.390 4.470 0.004 0.000 0.233 544 S C 1.809 176.464 174.600 0.091 0.000 1.006 544 S CA 0.718 58.972 58.200 0.091 0.000 0.957 544 S CB -0.403 62.817 63.200 0.034 0.000 0.773 544 S HN 0.184 nan 8.310 nan 0.000 0.507 545 V N 2.409 122.359 119.914 0.061 0.000 2.488 545 V HA 0.111 4.233 4.120 0.004 0.000 0.246 545 V C 2.105 178.258 176.094 0.098 0.000 1.046 545 V CA 1.552 63.895 62.300 0.071 0.000 1.053 545 V CB -0.614 31.227 31.823 0.029 0.000 0.679 545 V HN 0.801 nan 8.190 nan 0.000 0.458 546 I N -1.132 119.416 120.570 -0.037 0.000 3.904 546 I HA 0.170 4.343 4.170 0.004 0.000 0.333 546 I C 1.956 177.900 176.117 -0.288 0.000 1.361 546 I CA 0.068 61.218 61.300 -0.251 0.000 1.116 546 I CB -0.458 37.332 38.000 -0.350 0.000 1.028 546 I HN 0.235 nan 8.210 nan 0.000 0.398 547 K N 1.972 122.410 120.400 0.064 0.000 2.113 547 K HA -0.262 4.061 4.320 0.004 0.000 0.208 547 K C 1.827 178.594 176.600 0.277 0.000 1.047 547 K CA 2.144 58.627 56.287 0.328 0.000 0.928 547 K CB -0.994 31.752 32.500 0.410 0.000 0.716 547 K HN 0.662 nan 8.250 nan 0.000 0.446 548 H N 0.800 119.933 119.070 0.105 0.000 2.561 548 H HA 0.039 4.597 4.556 0.004 0.000 0.278 548 H C 1.559 176.890 175.328 0.005 0.000 1.014 548 H CA 0.595 56.688 56.048 0.075 0.000 1.211 548 H CB -0.268 29.520 29.762 0.043 0.000 1.365 548 H HN 0.263 nan 8.280 nan 0.000 0.594 549 L N -0.113 120.834 121.223 -0.459 0.000 2.558 549 L HA 0.126 4.469 4.340 0.004 0.000 0.225 549 L C 0.215 176.872 176.870 -0.356 0.000 1.128 549 L CA -0.050 54.520 54.840 -0.450 0.000 0.868 549 L CB -0.122 41.565 42.059 -0.620 0.000 1.006 549 L HN 0.025 nan 8.230 nan 0.000 0.454 550 F N 0.552 120.502 119.950 0.001 0.000 2.515 550 F HA 0.048 4.577 4.527 0.004 0.000 0.353 550 F C 1.571 177.430 175.800 0.098 0.000 1.213 550 F CA -0.340 57.707 58.000 0.078 0.000 1.194 550 F CB 0.310 39.415 39.000 0.175 0.000 1.488 550 F HN -0.044 nan 8.300 nan 0.000 0.619 551 T N -1.520 113.143 114.554 0.182 0.000 3.086 551 T HA 0.226 4.579 4.350 0.004 0.000 0.250 551 T C 1.104 175.886 174.700 0.136 0.000 1.074 551 T CA -0.141 62.041 62.100 0.138 0.000 0.988 551 T CB -0.068 68.847 68.868 0.078 0.000 0.988 551 T HN 0.446 nan 8.240 nan 0.000 0.530 552 G N 2.690 111.595 108.800 0.175 0.000 2.667 552 G HA2 0.397 4.359 3.960 0.004 0.000 0.250 552 G HA3 0.397 4.359 3.960 0.004 0.000 0.250 552 G C -1.001 173.976 174.900 0.128 0.000 1.212 552 G CA -1.231 43.957 45.100 0.146 0.000 0.874 552 G HN 0.060 nan 8.290 nan 0.000 0.561 553 P HA -0.174 nan 4.420 nan 0.000 0.215 553 P C 1.875 179.231 177.300 0.093 0.000 1.157 553 P CA 2.111 65.258 63.100 0.080 0.000 0.868 553 P CB 0.097 31.834 31.700 0.062 0.000 0.788 554 A N -0.295 122.593 122.820 0.112 0.000 1.930 554 A HA -0.065 4.257 4.320 0.004 0.000 0.217 554 A C 2.382 180.086 177.584 0.200 0.000 1.175 554 A CA 1.302 53.419 52.037 0.132 0.000 0.627 554 A CB -1.349 17.711 19.000 0.101 0.000 0.815 554 A HN 0.159 nan 8.150 nan 0.000 0.443 555 L N -1.263 120.083 121.223 0.204 0.000 2.463 555 L HA 0.031 4.373 4.340 0.004 0.000 0.219 555 L C 2.546 179.539 176.870 0.205 0.000 1.088 555 L CA 0.469 55.449 54.840 0.234 0.000 0.849 555 L CB -0.172 42.047 42.059 0.266 0.000 1.012 555 L HN 0.242 nan 8.230 nan 0.000 0.468 556 S N 0.492 116.288 115.700 0.161 0.000 2.368 556 S HA -0.174 4.298 4.470 0.004 0.000 0.226 556 S C 1.806 176.431 174.600 0.041 0.000 1.044 556 S CA 1.463 59.733 58.200 0.117 0.000 1.062 556 S CB -0.098 63.152 63.200 0.083 0.000 0.931 556 S HN 0.307 nan 8.310 nan 0.000 0.440 557 K N 0.543 120.899 120.400 -0.075 0.000 2.486 557 K HA 0.067 4.389 4.320 0.004 0.000 0.194 557 K C 0.246 176.614 176.600 -0.386 0.000 1.033 557 K CA 0.709 56.841 56.287 -0.258 0.000 1.004 557 K CB -0.262 31.993 32.500 -0.408 0.000 0.798 557 K HN 0.581 nan 8.250 nan 0.000 0.495 558 H N -0.526 118.572 119.070 0.047 0.000 2.575 558 H HA 0.206 4.765 4.556 0.004 0.000 0.256 558 H C 0.834 176.154 175.328 -0.013 0.000 1.162 558 H CA -0.195 55.860 56.048 0.012 0.000 0.969 558 H CB 0.543 30.292 29.762 -0.021 0.000 1.796 558 H HN 0.089 nan 8.280 nan 0.000 0.607 559 Q N -0.294 119.598 119.800 0.154 0.000 2.368 559 Q HA -0.208 4.135 4.340 0.004 0.000 0.210 559 Q C 1.263 177.349 176.000 0.143 0.000 0.982 559 Q CA 1.129 57.054 55.803 0.203 0.000 0.884 559 Q CB 0.020 28.927 28.738 0.282 0.000 0.933 559 Q HN 0.623 nan 8.270 nan 0.000 0.460 560 H N 0.015 119.102 119.070 0.028 0.000 2.521 560 H HA -0.060 4.498 4.556 0.004 0.000 0.286 560 H C 1.788 177.070 175.328 -0.076 0.000 1.034 560 H CA 1.134 57.186 56.048 0.007 0.000 1.278 560 H CB 0.211 29.981 29.762 0.012 0.000 1.386 560 H HN 0.189 nan 8.280 nan 0.000 0.567 561 V N -1.910 117.877 119.914 -0.212 0.000 2.720 561 V HA -0.169 3.953 4.120 0.004 0.000 0.256 561 V C 1.603 177.411 176.094 -0.477 0.000 1.082 561 V CA 1.538 63.617 62.300 -0.368 0.000 1.101 561 V CB -1.166 30.397 31.823 -0.433 0.000 0.693 561 V HN 0.311 nan 8.190 nan 0.000 0.479 562 F N 0.171 120.030 119.950 -0.153 0.000 2.797 562 F HA 0.247 4.775 4.527 0.003 0.000 0.302 562 F C 1.788 177.494 175.800 -0.157 0.000 1.130 562 F CA 0.330 58.234 58.000 -0.160 0.000 1.387 562 F CB 0.057 38.999 39.000 -0.097 0.000 1.107 562 F HN 0.189 nan 8.300 nan 0.000 0.577 563 D N -0.443 119.862 120.400 -0.158 0.000 2.360 563 D HA 0.007 4.650 4.640 0.004 0.000 0.210 563 D C 0.947 177.096 176.300 -0.250 0.000 1.047 563 D CA 0.378 54.235 54.000 -0.239 0.000 0.854 563 D CB 0.144 40.664 40.800 -0.468 0.000 0.936 563 D HN 0.107 nan 8.370 nan 0.000 0.514 564 E N -0.123 119.935 120.200 -0.237 0.000 2.409 564 E HA 0.045 4.398 4.350 0.004 0.000 0.257 564 E C 1.232 177.755 176.600 -0.128 0.000 1.150 564 E CA 0.323 56.627 56.400 -0.161 0.000 0.942 564 E CB 0.666 30.287 29.700 -0.133 0.000 0.979 564 E HN 0.099 nan 8.360 nan 0.000 0.447 565 T N -3.248 111.235 114.554 -0.118 0.000 3.086 565 T HA 0.071 4.423 4.350 0.004 0.000 0.250 565 T C 0.697 175.321 174.700 -0.128 0.000 1.074 565 T CA 0.092 62.108 62.100 -0.140 0.000 0.988 565 T CB -0.126 68.657 68.868 -0.141 0.000 0.988 565 T HN 0.470 nan 8.240 nan 0.000 0.530 566 T N -1.349 113.140 114.554 -0.107 0.000 2.864 566 T HA 0.611 4.964 4.350 0.004 0.000 0.299 566 T C 0.394 175.024 174.700 -0.117 0.000 1.166 566 T CA -0.998 61.037 62.100 -0.109 0.000 1.007 566 T CB 1.378 70.187 68.868 -0.098 0.000 1.219 566 T HN 0.002 nan 8.240 nan 0.000 0.506 567 L N 1.137 122.264 121.223 -0.160 0.000 2.591 567 L HA 0.143 4.486 4.340 0.004 0.000 0.228 567 L C 1.909 178.641 176.870 -0.231 0.000 1.133 567 L CA 0.046 54.773 54.840 -0.187 0.000 0.880 567 L CB -0.748 41.144 42.059 -0.278 0.000 1.033 567 L HN 0.635 nan 8.230 nan 0.000 0.450 568 N N 0.661 119.245 118.700 -0.193 0.000 2.037 568 N HA -0.233 4.510 4.740 0.004 0.000 0.196 568 N C 1.536 176.970 175.510 -0.127 0.000 1.034 568 N CA 1.717 54.671 53.050 -0.160 0.000 0.861 568 N CB -0.275 38.154 38.487 -0.096 0.000 1.039 568 N HN 0.251 nan 8.380 nan 0.000 0.427 569 N N -0.184 118.461 118.700 -0.091 0.000 2.166 569 N HA -0.127 4.616 4.740 0.004 0.000 0.186 569 N C 1.490 176.963 175.510 -0.062 0.000 1.019 569 N CA 0.586 53.592 53.050 -0.074 0.000 0.856 569 N CB -0.510 37.940 38.487 -0.061 0.000 0.993 569 N HN 0.222 nan 8.380 nan 0.000 0.426 570 F N 1.412 121.213 119.950 -0.248 0.000 2.146 570 F HA 0.040 4.569 4.527 0.003 0.000 0.298 570 F C 2.169 177.923 175.800 -0.075 0.000 1.096 570 F CA 1.008 58.869 58.000 -0.232 0.000 1.275 570 F CB -0.304 38.511 39.000 -0.307 0.000 1.008 570 F HN -0.064 nan 8.300 nan 0.000 0.480 571 M N -0.340 119.031 119.600 -0.381 0.000 2.159 571 M HA -0.093 4.389 4.480 0.004 0.000 0.263 571 M C 2.407 178.752 176.300 0.075 0.000 1.063 571 M CA 1.643 56.687 55.300 -0.427 0.000 1.110 571 M CB -1.149 31.090 32.600 -0.601 0.000 1.374 571 M HN 0.271 nan 8.290 nan 0.000 0.411 572 G N 0.114 108.894 108.800 -0.033 0.000 2.471 572 G HA2 -0.101 3.862 3.960 0.004 0.000 0.219 572 G HA3 -0.101 3.862 3.960 0.004 0.000 0.219 572 G C 1.492 176.335 174.900 -0.094 0.000 1.125 572 G CA 0.273 45.361 45.100 -0.020 0.000 0.775 572 G HN 0.335 nan 8.290 nan 0.000 0.548 573 L N 0.199 121.333 121.223 -0.149 0.000 2.191 573 L HA 0.154 4.496 4.340 0.004 0.000 0.212 573 L C 1.651 178.249 176.870 -0.453 0.000 1.103 573 L CA 0.716 55.385 54.840 -0.286 0.000 0.769 573 L CB -0.812 41.087 42.059 -0.267 0.000 0.908 573 L HN 0.461 nan 8.230 nan 0.000 0.438 574 G N -1.256 107.108 108.800 -0.727 0.000 2.707 574 G HA2 -0.235 3.727 3.960 0.004 0.000 0.686 574 G HA3 -0.235 3.727 3.960 0.004 0.000 0.686 574 G C 0.048 173.820 174.900 -1.881 0.000 1.315 574 G CA -0.070 44.293 45.100 -1.227 0.000 0.832 574 G HN 0.132 nan 8.290 nan 0.000 0.573 575 Q N -0.255 118.641 119.800 -1.507 0.000 2.118 575 Q HA -0.257 4.086 4.340 0.004 0.000 0.211 575 Q C 3.230 178.999 176.000 -0.384 0.000 0.998 575 Q CA 3.150 58.468 55.803 -0.809 0.000 0.872 575 Q CB -0.321 28.197 28.738 -0.366 0.000 0.925 575 Q HN 1.210 nan 8.270 nan 0.000 0.414 576 A N 0.747 123.375 122.820 -0.319 0.000 1.883 576 A HA -0.214 4.108 4.320 0.004 0.000 0.217 576 A C 2.257 179.804 177.584 -0.062 0.000 1.186 576 A CA 1.940 53.898 52.037 -0.132 0.000 0.624 576 A CB -0.911 18.024 19.000 -0.108 0.000 0.822 576 A HN 0.473 nan 8.150 nan 0.000 0.444 577 A N -1.347 121.385 122.820 -0.147 0.000 1.898 577 A HA -0.089 4.234 4.320 0.004 0.000 0.216 577 A C 1.984 179.710 177.584 0.236 0.000 1.181 577 A CA 1.444 53.498 52.037 0.029 0.000 0.620 577 A CB -0.772 18.206 19.000 -0.036 0.000 0.819 577 A HN 0.736 nan 8.150 nan 0.000 0.442 578 W N 0.441 121.739 121.300 -0.003 0.000 2.354 578 W HA -0.083 4.580 4.660 0.005 0.000 0.315 578 W C 2.141 178.758 176.519 0.164 0.000 1.206 578 W CA 1.207 58.582 57.345 0.050 0.000 1.290 578 W CB -1.111 28.312 29.460 -0.062 0.000 1.152 578 W HN 0.334 nan 8.180 nan 0.000 0.489 579 K N 0.092 120.689 120.400 0.328 0.000 2.097 579 K HA -0.197 4.125 4.320 0.004 0.000 0.206 579 K C 1.910 178.647 176.600 0.228 0.000 1.049 579 K CA 1.654 58.085 56.287 0.240 0.000 0.933 579 K CB -0.385 32.211 32.500 0.160 0.000 0.717 579 K HN 0.180 nan 8.250 nan 0.000 0.442 580 E N 0.728 121.064 120.200 0.226 0.000 2.072 580 E HA -0.170 4.183 4.350 0.004 0.000 0.191 580 E C 1.971 178.749 176.600 0.298 0.000 0.985 580 E CA 0.928 57.465 56.400 0.228 0.000 0.801 580 E CB -0.008 29.816 29.700 0.206 0.000 0.750 580 E HN 0.307 nan 8.360 nan 0.000 0.452 581 A N 1.505 124.538 122.820 0.356 0.000 1.902 581 A HA -0.216 4.106 4.320 0.004 0.000 0.217 581 A C 2.201 180.015 177.584 0.383 0.000 1.181 581 A CA 1.673 53.925 52.037 0.359 0.000 0.623 581 A CB -0.584 18.691 19.000 0.457 0.000 0.818 581 A HN 0.224 nan 8.150 nan 0.000 0.443 582 R N -0.474 120.241 120.500 0.359 0.000 2.081 582 R HA -0.093 4.250 4.340 0.004 0.000 0.235 582 R C 2.318 178.728 176.300 0.184 0.000 1.131 582 R CA 1.455 57.708 56.100 0.255 0.000 0.960 582 R CB -0.411 30.024 30.300 0.225 0.000 0.856 582 R HN 0.442 nan 8.270 nan 0.000 0.436 583 A N 0.061 122.992 122.820 0.185 0.000 1.902 583 A HA -0.137 4.186 4.320 0.004 0.000 0.217 583 A C 2.202 179.869 177.584 0.137 0.000 1.181 583 A CA 1.930 54.050 52.037 0.138 0.000 0.623 583 A CB -0.594 18.485 19.000 0.132 0.000 0.818 583 A HN 0.428 nan 8.150 nan 0.000 0.443 584 S N -0.119 115.701 115.700 0.200 0.000 2.368 584 S HA -0.104 4.368 4.470 0.004 0.000 0.225 584 S C 1.840 176.504 174.600 0.106 0.000 1.030 584 S CA 1.499 59.802 58.200 0.171 0.000 0.999 584 S CB -0.462 62.927 63.200 0.315 0.000 0.844 584 S HN 0.497 nan 8.310 nan 0.000 0.459 585 L N 1.305 122.624 121.223 0.161 0.000 2.056 585 L HA -0.150 4.192 4.340 0.004 0.000 0.207 585 L C 2.783 179.674 176.870 0.034 0.000 1.078 585 L CA 1.203 56.090 54.840 0.077 0.000 0.749 585 L CB -0.540 41.569 42.059 0.085 0.000 0.901 585 L HN 0.353 nan 8.230 nan 0.000 0.433 586 Q N -0.485 119.340 119.800 0.042 0.000 2.124 586 Q HA -0.222 4.121 4.340 0.004 0.000 0.202 586 Q C 1.971 177.987 176.000 0.026 0.000 0.977 586 Q CA 1.511 57.323 55.803 0.016 0.000 0.850 586 Q CB -0.281 28.466 28.738 0.015 0.000 0.901 586 Q HN 0.565 nan 8.270 nan 0.000 0.429 587 N N 0.414 119.138 118.700 0.040 0.000 2.135 587 N HA -0.142 4.601 4.740 0.004 0.000 0.186 587 N C 1.782 177.324 175.510 0.054 0.000 1.027 587 N CA 0.549 53.623 53.050 0.040 0.000 0.849 587 N CB 0.157 38.666 38.487 0.037 0.000 1.002 587 N HN 0.106 nan 8.380 nan 0.000 0.425 588 L N 1.518 122.767 121.223 0.043 0.000 2.083 588 L HA -0.023 4.320 4.340 0.004 0.000 0.209 588 L C 2.080 179.079 176.870 0.215 0.000 1.083 588 L CA 1.188 56.069 54.840 0.068 0.000 0.752 588 L CB -0.647 41.400 42.059 -0.020 0.000 0.899 588 L HN 0.269 nan 8.230 nan 0.000 0.433 589 L N -1.771 119.535 121.223 0.139 0.000 2.558 589 L HA 0.063 4.406 4.340 0.004 0.000 0.225 589 L C 1.215 178.130 176.870 0.076 0.000 1.128 589 L CA -0.163 54.722 54.840 0.075 0.000 0.868 589 L CB -0.181 41.822 42.059 -0.093 0.000 1.006 589 L HN 0.097 nan 8.230 nan 0.000 0.454 590 S N 0.189 115.968 115.700 0.132 0.000 2.560 590 S HA 0.161 4.634 4.470 0.004 0.000 0.284 590 S C 1.393 176.126 174.600 0.220 0.000 1.327 590 S CA 0.202 58.468 58.200 0.109 0.000 1.055 590 S CB 1.447 64.689 63.200 0.069 0.000 0.868 590 S HN 0.311 nan 8.310 nan 0.000 0.506 591 A N 4.026 126.937 122.820 0.152 0.000 2.121 591 A HA 0.019 4.341 4.320 0.004 0.000 0.218 591 A C 2.119 179.764 177.584 0.102 0.000 1.154 591 A CA 1.629 53.772 52.037 0.176 0.000 0.679 591 A CB -0.570 18.488 19.000 0.096 0.000 0.795 591 A HN 0.806 nan 8.150 nan 0.000 0.458 592 S N -0.939 114.803 115.700 0.070 0.000 2.501 592 S HA 0.069 4.542 4.470 0.004 0.000 0.220 592 S C 0.861 175.474 174.600 0.022 0.000 0.997 592 S CA 0.194 58.414 58.200 0.033 0.000 0.919 592 S CB 0.004 63.218 63.200 0.024 0.000 0.778 592 S HN 0.632 nan 8.310 nan 0.000 0.523 593 Q N 1.203 121.027 119.800 0.041 0.000 2.267 593 Q HA 0.643 4.986 4.340 0.004 0.000 0.255 593 Q C 0.397 176.372 176.000 -0.042 0.000 0.923 593 Q CA -0.109 55.703 55.803 0.015 0.000 0.925 593 Q CB 1.237 30.003 28.738 0.046 0.000 1.195 593 Q HN 0.118 nan 8.270 nan 0.000 0.417 594 A N 4.234 127.018 122.820 -0.060 0.000 2.044 594 A HA 0.034 4.356 4.320 0.004 0.000 0.213 594 A C 1.737 179.253 177.584 -0.114 0.000 1.169 594 A CA 0.748 52.723 52.037 -0.104 0.000 0.724 594 A CB -0.202 18.755 19.000 -0.073 0.000 0.840 594 A HN 0.753 nan 8.150 nan 0.000 0.463 595 R N 0.042 120.498 120.500 -0.075 0.000 2.168 595 R HA -0.213 4.130 4.340 0.004 0.000 0.242 595 R C 1.786 178.037 176.300 -0.083 0.000 1.123 595 R CA 2.511 58.570 56.100 -0.067 0.000 0.928 595 R CB -0.935 29.332 30.300 -0.055 0.000 0.873 595 R HN 0.447 nan 8.270 nan 0.000 0.434 596 L N 0.140 121.312 121.223 -0.086 0.000 2.168 596 L HA 0.189 4.531 4.340 0.004 0.000 0.203 596 L C 2.426 179.152 176.870 -0.239 0.000 1.078 596 L CA 1.591 56.394 54.840 -0.062 0.000 0.780 596 L CB -0.750 41.366 42.059 0.095 0.000 0.939 596 L HN 0.259 nan 8.230 nan 0.000 0.451 597 R N -0.284 119.853 120.500 -0.605 0.000 2.113 597 R HA -0.205 4.138 4.340 0.004 0.000 0.244 597 R C 0.915 176.920 176.300 -0.491 0.000 1.142 597 R CA 2.167 57.613 56.100 -1.091 0.000 0.953 597 R CB -0.285 29.404 30.300 -1.019 0.000 0.860 597 R HN 0.424 nan 8.270 nan 0.000 0.438 598 D N -0.037 120.193 120.400 -0.283 0.000 2.339 598 D HA -0.014 4.629 4.640 0.004 0.000 0.217 598 D C -0.340 175.900 176.300 -0.101 0.000 1.050 598 D CA 0.331 54.234 54.000 -0.163 0.000 0.856 598 D CB 0.086 40.814 40.800 -0.120 0.000 0.922 598 D HN 0.153 nan 8.370 nan 0.000 0.518 599 D N 1.587 121.932 120.400 -0.091 0.000 2.563 599 D HA -0.015 4.627 4.640 0.004 0.000 0.222 599 D C 1.424 177.718 176.300 -0.012 0.000 1.145 599 D CA -0.149 53.828 54.000 -0.038 0.000 1.001 599 D CB 0.418 41.205 40.800 -0.022 0.000 1.049 599 D HN -0.051 nan 8.370 nan 0.000 0.515 600 K N 2.236 122.628 120.400 -0.015 0.000 2.059 600 K HA -0.234 4.088 4.320 0.004 0.000 0.212 600 K C 1.413 178.031 176.600 0.031 0.000 1.050 600 K CA 1.138 57.428 56.287 0.005 0.000 0.927 600 K CB 0.210 32.709 32.500 -0.003 0.000 0.714 600 K HN 0.272 nan 8.250 nan 0.000 0.447 601 E N 0.863 121.078 120.200 0.025 0.000 2.051 601 E HA -0.184 4.169 4.350 0.004 0.000 0.192 601 E C 2.132 178.762 176.600 0.050 0.000 0.991 601 E CA 1.052 57.472 56.400 0.034 0.000 0.799 601 E CB -0.225 29.490 29.700 0.023 0.000 0.748 601 E HN 0.300 nan 8.360 nan 0.000 0.449 602 L N 1.404 122.657 121.223 0.050 0.000 2.056 602 L HA -0.117 4.226 4.340 0.004 0.000 0.207 602 L C 2.462 179.385 176.870 0.089 0.000 1.078 602 L CA 1.614 56.489 54.840 0.059 0.000 0.749 602 L CB -0.379 41.708 42.059 0.047 0.000 0.901 602 L HN -0.012 nan 8.230 nan 0.000 0.433 603 R N -1.000 119.582 120.500 0.136 0.000 2.117 603 R HA -0.194 4.148 4.340 0.004 0.000 0.243 603 R C 2.287 178.755 176.300 0.281 0.000 1.143 603 R CA 1.683 57.960 56.100 0.295 0.000 0.968 603 R CB -0.393 30.066 30.300 0.265 0.000 0.863 603 R HN 0.562 nan 8.270 nan 0.000 0.444 604 Q N 0.077 119.973 119.800 0.159 0.000 2.084 604 Q HA -0.148 4.195 4.340 0.004 0.000 0.202 604 Q C 2.045 178.118 176.000 0.122 0.000 0.978 604 Q CA 1.440 57.321 55.803 0.129 0.000 0.844 604 Q CB 0.024 28.811 28.738 0.082 0.000 0.898 604 Q HN 0.369 nan 8.270 nan 0.000 0.426 605 R N -0.707 119.850 120.500 0.095 0.000 2.161 605 R HA 0.077 4.419 4.340 0.004 0.000 0.213 605 R C 1.980 178.315 176.300 0.059 0.000 1.055 605 R CA 0.709 56.854 56.100 0.074 0.000 0.996 605 R CB 0.072 30.406 30.300 0.056 0.000 0.901 605 R HN 0.105 nan 8.270 nan 0.000 0.456 606 A N 0.445 123.279 122.820 0.024 0.000 2.021 606 A HA 0.119 4.441 4.320 0.004 0.000 0.216 606 A C 0.421 177.857 177.584 -0.247 0.000 1.163 606 A CA 0.494 52.447 52.037 -0.139 0.000 0.676 606 A CB 0.169 18.997 19.000 -0.287 0.000 0.818 606 A HN 0.062 nan 8.150 nan 0.000 0.453 607 F N -0.347 119.631 119.950 0.048 0.000 2.450 607 F HA 0.562 5.092 4.527 0.004 0.000 0.332 607 F C 0.239 176.052 175.800 0.023 0.000 1.093 607 F CA -0.196 57.814 58.000 0.016 0.000 1.003 607 F CB 2.251 41.258 39.000 0.011 0.000 1.151 607 F HN -0.212 nan 8.300 nan 0.000 0.474 608 T N 0.709 115.377 114.554 0.190 0.000 2.933 608 T HA 0.242 4.594 4.350 0.004 0.000 0.305 608 T C -0.727 174.008 174.700 0.059 0.000 1.092 608 T CA -0.831 61.339 62.100 0.117 0.000 1.008 608 T CB 1.799 70.740 68.868 0.122 0.000 1.102 608 T HN 0.546 nan 8.240 nan 0.000 0.469 609 S N 1.133 116.867 115.700 0.056 0.000 2.562 609 S HA 0.063 4.536 4.470 0.004 0.000 0.281 609 S C 1.361 175.976 174.600 0.024 0.000 1.333 609 S CA -0.157 58.061 58.200 0.031 0.000 1.052 609 S CB 0.651 63.874 63.200 0.037 0.000 0.884 609 S HN 0.702 nan 8.310 nan 0.000 0.506 610 Q N 3.204 123.012 119.800 0.013 0.000 2.226 610 Q HA -0.086 4.257 4.340 0.004 0.000 0.204 610 Q C 2.330 178.374 176.000 0.073 0.000 0.975 610 Q CA 1.442 57.270 55.803 0.040 0.000 0.866 610 Q CB -0.313 28.455 28.738 0.049 0.000 0.915 610 Q HN 0.909 nan 8.270 nan 0.000 0.440 611 A N 0.229 123.087 122.820 0.062 0.000 2.019 611 A HA -0.121 4.202 4.320 0.004 0.000 0.219 611 A C 2.004 179.629 177.584 0.068 0.000 1.164 611 A CA 1.440 53.516 52.037 0.065 0.000 0.644 611 A CB -0.074 18.957 19.000 0.052 0.000 0.805 611 A HN 0.208 nan 8.150 nan 0.000 0.449 612 S N -0.854 114.890 115.700 0.074 0.000 2.556 612 S HA 0.502 4.975 4.470 0.004 0.000 0.216 612 S C 0.744 175.415 174.600 0.117 0.000 0.970 612 S CA 0.246 58.498 58.200 0.086 0.000 0.912 612 S CB 0.011 63.263 63.200 0.088 0.000 0.790 612 S HN 0.719 nan 8.310 nan 0.000 0.504 613 A N 1.332 124.229 122.820 0.128 0.000 2.295 613 A HA 0.683 5.006 4.320 0.004 0.000 0.318 613 A C -0.063 177.606 177.584 0.141 0.000 1.134 613 A CA -0.367 51.784 52.037 0.190 0.000 0.827 613 A CB 0.643 19.763 19.000 0.200 0.000 1.136 613 A HN 0.146 nan 8.150 nan 0.000 0.493 614 T N 3.737 118.384 114.554 0.156 0.000 2.786 614 T HA 0.447 4.800 4.350 0.004 0.000 0.283 614 T C -0.117 174.594 174.700 0.018 0.000 0.992 614 T CA -0.393 61.730 62.100 0.038 0.000 0.954 614 T CB 0.529 69.393 68.868 -0.007 0.000 0.934 614 T HN 0.545 nan 8.240 nan 0.000 0.440 615 M N 3.588 123.146 119.600 -0.071 0.000 2.274 615 M HA 0.394 4.877 4.480 0.004 0.000 0.344 615 M C 0.381 176.539 176.300 -0.236 0.000 1.161 615 M CA -0.243 54.999 55.300 -0.098 0.000 1.126 615 M CB 0.383 32.874 32.600 -0.182 0.000 1.522 615 M HN 0.598 nan 8.290 nan 0.000 0.461 616 H N 0.922 119.941 119.070 -0.084 0.000 2.797 616 H HA 0.493 5.047 4.556 -0.003 0.000 0.362 616 H C -0.586 174.697 175.328 -0.075 0.000 1.183 616 H CA -1.022 54.987 56.048 -0.065 0.000 1.197 616 H CB 1.718 31.443 29.762 -0.063 0.000 1.835 616 H HN 0.504 nan 8.280 nan 0.000 0.567 617 L N 3.260 124.532 121.223 0.082 0.000 2.540 617 L HA -0.029 4.314 4.340 0.004 0.000 0.276 617 L C -0.967 175.907 176.870 0.007 0.000 1.212 617 L CA -1.110 53.755 54.840 0.041 0.000 0.893 617 L CB 0.531 42.618 42.059 0.047 0.000 1.138 617 L HN 0.460 nan 8.230 nan 0.000 0.491 618 P HA -0.039 nan 4.420 nan 0.000 0.226 618 P C -0.028 177.151 177.300 -0.203 0.000 1.153 618 P CA 0.785 63.810 63.100 -0.125 0.000 0.777 618 P CB 0.459 32.062 31.700 -0.162 0.000 0.794 619 A N -1.480 121.243 122.820 -0.161 0.000 2.599 619 A HA 0.552 4.874 4.320 0.004 0.000 0.290 619 A C -0.926 176.641 177.584 -0.028 0.000 1.101 619 A CA -0.421 51.523 52.037 -0.155 0.000 0.674 619 A CB 0.489 19.296 19.000 -0.322 0.000 1.277 619 A HN -0.164 nan 8.150 nan 0.000 0.419 620 T N 1.905 116.445 114.554 -0.023 0.000 2.723 620 T HA 0.418 4.770 4.350 0.004 0.000 0.297 620 T C 0.003 174.734 174.700 0.051 0.000 0.925 620 T CA 0.354 62.461 62.100 0.012 0.000 1.030 620 T CB -0.592 68.272 68.868 -0.005 0.000 0.905 620 T HN 0.361 nan 8.240 nan 0.000 0.502 621 I N 3.469 124.090 120.570 0.086 0.000 2.347 621 I HA 0.194 4.366 4.170 0.004 0.000 0.294 621 I C 1.695 177.859 176.117 0.077 0.000 1.090 621 I CA -0.258 61.112 61.300 0.118 0.000 1.314 621 I CB 0.791 38.865 38.000 0.123 0.000 1.423 621 I HN 0.771 nan 8.210 nan 0.000 0.503 622 G N 5.408 114.248 108.800 0.066 0.000 2.402 622 G HA2 -0.084 3.878 3.960 0.004 0.000 0.216 622 G HA3 -0.084 3.878 3.960 0.004 0.000 0.216 622 G C 0.421 175.348 174.900 0.045 0.000 1.162 622 G CA 0.635 45.761 45.100 0.042 0.000 0.777 622 G HN 0.554 nan 8.290 nan 0.000 0.539 623 D N -2.440 117.996 120.400 0.059 0.000 2.753 623 D HA 0.380 5.022 4.640 0.004 0.000 0.224 623 D C -1.855 174.517 176.300 0.120 0.000 1.213 623 D CA -0.522 53.517 54.000 0.065 0.000 0.833 623 D CB 2.495 43.310 40.800 0.026 0.000 1.607 623 D HN 0.170 nan 8.370 nan 0.000 0.463 624 Y N 0.284 120.571 120.300 -0.023 0.000 2.406 624 Y HA 0.493 5.046 4.550 0.005 0.000 0.340 624 Y C -1.338 174.515 175.900 -0.078 0.000 0.975 624 Y CA -0.279 57.782 58.100 -0.066 0.000 1.056 624 Y CB 1.908 40.325 38.460 -0.072 0.000 1.210 624 Y HN 0.132 nan 8.280 nan 0.000 0.448 625 T N 5.268 119.589 114.554 -0.387 0.000 2.861 625 T HA 0.215 4.567 4.350 0.004 0.000 0.287 625 T C -1.863 172.389 174.700 -0.747 0.000 1.003 625 T CA -0.583 61.146 62.100 -0.618 0.000 0.977 625 T CB 1.353 70.083 68.868 -0.230 0.000 0.996 625 T HN 0.606 nan 8.240 nan 0.000 0.448 626 D N 1.386 121.151 120.400 -1.059 0.000 2.391 626 D HA 0.542 5.184 4.640 0.004 0.000 0.245 626 D C -0.763 175.222 176.300 -0.525 0.000 1.069 626 D CA -0.511 53.106 54.000 -0.639 0.000 0.831 626 D CB 0.664 41.050 40.800 -0.691 0.000 1.204 626 D HN 0.189 nan 8.370 nan 0.000 0.503 627 F N 1.761 121.720 119.950 0.015 0.000 2.321 627 F HA 0.353 4.883 4.527 0.005 0.000 0.318 627 F C 0.293 176.303 175.800 0.349 0.000 1.129 627 F CA -0.533 57.552 58.000 0.143 0.000 1.074 627 F CB 0.607 39.695 39.000 0.146 0.000 1.432 627 F HN 0.309 nan 8.300 nan 0.000 0.502 628 Y N -0.134 120.439 120.300 0.456 0.000 2.720 628 Y HA 0.279 4.832 4.550 0.005 0.000 0.264 628 Y C 0.592 176.880 175.900 0.645 0.000 0.989 628 Y CA -0.959 57.446 58.100 0.509 0.000 1.100 628 Y CB -0.186 38.571 38.460 0.495 0.000 1.196 628 Y HN 0.394 nan 8.280 nan 0.000 0.631 629 S N -0.694 115.368 115.700 0.604 0.000 2.603 629 S HA -0.000 4.473 4.470 0.004 0.000 0.220 629 S C 0.827 175.809 174.600 0.637 0.000 0.967 629 S CA 0.389 58.943 58.200 0.591 0.000 0.920 629 S CB -0.038 63.440 63.200 0.463 0.000 0.773 629 S HN 0.393 nan 8.310 nan 0.000 0.529 630 S N 1.479 117.500 115.700 0.534 0.000 2.411 630 S HA 0.311 4.784 4.470 0.004 0.000 0.294 630 S C 1.091 175.842 174.600 0.252 0.000 1.115 630 S CA -0.788 57.639 58.200 0.378 0.000 1.071 630 S CB 0.653 64.023 63.200 0.283 0.000 0.967 630 S HN 0.422 nan 8.310 nan 0.000 0.488 631 R N 3.055 123.660 120.500 0.174 0.000 2.105 631 R HA -0.141 4.202 4.340 0.004 0.000 0.239 631 R C 2.006 178.087 176.300 -0.365 0.000 1.135 631 R CA 1.861 57.746 56.100 -0.358 0.000 0.967 631 R CB -0.218 29.911 30.300 -0.286 0.000 0.861 631 R HN 0.663 nan 8.270 nan 0.000 0.442 632 Q N -0.550 119.163 119.800 -0.146 0.000 2.119 632 Q HA -0.188 4.155 4.340 0.004 0.000 0.201 632 Q C 1.758 177.640 176.000 -0.197 0.000 0.972 632 Q CA 2.121 57.834 55.803 -0.151 0.000 0.847 632 Q CB -0.276 28.435 28.738 -0.046 0.000 0.903 632 Q HN 0.542 nan 8.270 nan 0.000 0.433 633 H N -0.572 118.388 119.070 -0.183 0.000 2.293 633 H HA -0.011 4.547 4.556 0.005 0.000 0.300 633 H C 1.631 176.820 175.328 -0.230 0.000 1.082 633 H CA 2.276 58.227 56.048 -0.161 0.000 1.308 633 H CB -0.360 29.404 29.762 0.004 0.000 1.375 633 H HN 0.281 nan 8.280 nan 0.000 0.495 634 A N -0.576 121.954 122.820 -0.484 0.000 1.908 634 A HA -0.191 4.132 4.320 0.004 0.000 0.218 634 A C 2.505 179.753 177.584 -0.559 0.000 1.181 634 A CA 2.188 53.767 52.037 -0.763 0.000 0.627 634 A CB -1.087 17.098 19.000 -1.358 0.000 0.818 634 A HN 0.600 nan 8.150 nan 0.000 0.445 635 T N 0.614 114.854 114.554 -0.522 0.000 2.737 635 T HA -0.131 4.221 4.350 0.004 0.000 0.265 635 T C 1.871 176.413 174.700 -0.263 0.000 1.038 635 T CA 1.445 63.328 62.100 -0.361 0.000 1.144 635 T CB -0.426 68.258 68.868 -0.307 0.000 0.866 635 T HN 0.498 nan 8.240 nan 0.000 0.434 636 N N 1.064 119.585 118.700 -0.298 0.000 2.043 636 N HA -0.080 4.662 4.740 0.004 0.000 0.193 636 N C 1.999 177.225 175.510 -0.473 0.000 1.037 636 N CA 0.886 53.756 53.050 -0.300 0.000 0.851 636 N CB -0.947 37.277 38.487 -0.438 0.000 1.027 636 N HN 0.187 nan 8.380 nan 0.000 0.422 637 V N 0.750 120.377 119.914 -0.479 0.000 2.343 637 V HA -0.159 3.964 4.120 0.004 0.000 0.247 637 V C 2.407 178.348 176.094 -0.254 0.000 1.051 637 V CA 2.026 64.079 62.300 -0.410 0.000 1.036 637 V CB -1.301 30.387 31.823 -0.226 0.000 0.654 637 V HN 0.382 nan 8.190 nan 0.000 0.451 638 G N -0.138 108.568 108.800 -0.157 0.000 2.440 638 G HA2 -0.226 3.737 3.960 0.004 0.000 0.218 638 G HA3 -0.226 3.737 3.960 0.004 0.000 0.218 638 G C 1.579 176.432 174.900 -0.079 0.000 1.154 638 G CA 1.069 46.135 45.100 -0.057 0.000 0.767 638 G HN 0.491 nan 8.290 nan 0.000 0.552 639 I N 0.339 120.833 120.570 -0.127 0.000 2.179 639 I HA -0.186 3.987 4.170 0.004 0.000 0.242 639 I C 2.946 178.987 176.117 -0.126 0.000 1.088 639 I CA 1.127 62.393 61.300 -0.056 0.000 1.357 639 I CB -0.196 37.848 38.000 0.074 0.000 1.051 639 I HN 0.178 nan 8.210 nan 0.000 0.409 640 M N -0.528 118.836 119.600 -0.392 0.000 2.213 640 M HA -0.179 4.304 4.480 0.004 0.000 0.263 640 M C 1.652 177.657 176.300 -0.492 0.000 1.062 640 M CA 1.928 56.857 55.300 -0.617 0.000 1.105 640 M CB -0.171 31.732 32.600 -1.161 0.000 1.385 640 M HN 0.148 nan 8.290 nan 0.000 0.417 641 F N -1.226 118.679 119.950 -0.075 0.000 2.717 641 F HA 0.186 4.716 4.527 0.004 0.000 0.297 641 F C 1.909 177.714 175.800 0.008 0.000 1.113 641 F CA 0.338 58.326 58.000 -0.020 0.000 1.319 641 F CB 0.007 39.007 39.000 -0.000 0.000 1.097 641 F HN -0.043 nan 8.300 nan 0.000 0.595 642 R N -0.613 119.974 120.500 0.145 0.000 2.517 642 R HA 0.429 4.771 4.340 0.004 0.000 0.265 642 R C 0.213 176.549 176.300 0.059 0.000 0.921 642 R CA 0.414 56.575 56.100 0.102 0.000 1.054 642 R CB 1.122 31.477 30.300 0.093 0.000 1.340 642 R HN 0.166 nan 8.270 nan 0.000 0.551 643 G N 2.585 111.408 108.800 0.039 0.000 2.712 643 G HA2 -0.214 3.749 3.960 0.004 0.000 0.686 643 G HA3 -0.214 3.749 3.960 0.004 0.000 0.686 643 G C 0.413 175.325 174.900 0.020 0.000 1.181 643 G CA -0.213 44.907 45.100 0.033 0.000 0.762 643 G HN 0.080 nan 8.290 nan 0.000 0.641 644 K N 1.154 121.568 120.400 0.022 0.000 2.113 644 K HA -0.177 4.145 4.320 0.004 0.000 0.208 644 K C 1.775 178.373 176.600 -0.003 0.000 1.047 644 K CA 2.496 58.787 56.287 0.007 0.000 0.928 644 K CB -0.292 32.214 32.500 0.010 0.000 0.716 644 K HN 0.653 nan 8.250 nan 0.000 0.446 645 E N 1.515 121.719 120.200 0.006 0.000 2.153 645 E HA -0.119 4.234 4.350 0.004 0.000 0.194 645 E C 0.511 177.115 176.600 0.007 0.000 0.988 645 E CA 1.244 57.648 56.400 0.006 0.000 0.811 645 E CB 0.019 29.726 29.700 0.012 0.000 0.746 645 E HN 0.464 nan 8.360 nan 0.000 0.466 646 N N -0.507 118.200 118.700 0.012 0.000 2.351 646 N HA 0.215 4.958 4.740 0.004 0.000 0.254 646 N C 0.392 175.909 175.510 0.012 0.000 1.241 646 N CA 0.581 53.642 53.050 0.019 0.000 0.883 646 N CB 1.119 39.626 38.487 0.033 0.000 1.202 646 N HN 0.162 nan 8.380 nan 0.000 0.512 647 A N 0.900 123.710 122.820 -0.017 0.000 1.841 647 A HA -0.032 4.291 4.320 0.004 0.000 0.216 647 A C 1.006 178.546 177.584 -0.074 0.000 1.199 647 A CA 0.898 52.904 52.037 -0.052 0.000 0.621 647 A CB -0.352 18.593 19.000 -0.092 0.000 0.835 647 A HN 0.273 nan 8.150 nan 0.000 0.445 648 L N 0.969 122.130 121.223 -0.103 0.000 2.265 648 L HA 0.326 4.669 4.340 0.004 0.000 0.288 648 L C -0.564 176.321 176.870 0.025 0.000 1.058 648 L CA -0.524 54.248 54.840 -0.114 0.000 0.809 648 L CB 1.240 43.175 42.059 -0.207 0.000 1.179 648 L HN 0.320 nan 8.230 nan 0.000 0.429 649 L N 5.715 127.002 121.223 0.106 0.000 2.452 649 L HA 0.143 4.486 4.340 0.004 0.000 0.267 649 L C -0.803 176.176 176.870 0.182 0.000 1.188 649 L CA -1.308 53.617 54.840 0.143 0.000 0.821 649 L CB 0.346 42.508 42.059 0.172 0.000 1.102 649 L HN 0.481 nan 8.230 nan 0.000 0.470 650 P HA -0.207 nan 4.420 nan 0.000 0.218 650 P C 0.565 178.034 177.300 0.282 0.000 1.146 650 P CA 1.602 64.817 63.100 0.192 0.000 0.820 650 P CB -0.126 31.663 31.700 0.147 0.000 0.778 651 N N -1.411 117.448 118.700 0.265 0.000 2.446 651 N HA -0.147 4.596 4.740 0.004 0.000 0.179 651 N C 1.708 177.398 175.510 0.299 0.000 1.054 651 N CA 0.288 53.509 53.050 0.284 0.000 0.905 651 N CB -1.503 37.095 38.487 0.185 0.000 0.973 651 N HN 0.211 nan 8.380 nan 0.000 0.448 652 W N 1.359 122.751 121.300 0.153 0.000 2.318 652 W HA 0.024 4.686 4.660 0.004 0.000 0.313 652 W C 1.447 178.109 176.519 0.239 0.000 1.221 652 W CA 1.402 58.842 57.345 0.158 0.000 1.266 652 W CB -0.127 29.380 29.460 0.078 0.000 1.150 652 W HN 0.039 nan 8.180 nan 0.000 0.496 653 L N -0.329 121.132 121.223 0.397 0.000 2.610 653 L HA -0.113 4.230 4.340 0.004 0.000 0.232 653 L C 1.729 178.693 176.870 0.157 0.000 1.149 653 L CA 0.426 55.403 54.840 0.228 0.000 0.872 653 L CB -0.644 41.418 42.059 0.005 0.000 0.992 653 L HN 0.135 nan 8.230 nan 0.000 0.447 654 H N -0.470 118.810 119.070 0.351 0.000 2.729 654 H HA 0.327 4.886 4.556 0.004 0.000 0.263 654 H C -0.039 175.325 175.328 0.060 0.000 0.961 654 H CA 0.265 56.469 56.048 0.260 0.000 1.217 654 H CB 0.944 30.799 29.762 0.156 0.000 1.447 654 H HN 0.156 nan 8.280 nan 0.000 0.496 655 L N -1.966 119.155 121.223 -0.169 0.000 2.506 655 L HA 0.513 4.855 4.340 0.004 0.000 0.257 655 L C -3.033 173.037 176.870 -1.334 0.000 0.964 655 L CA -2.307 52.034 54.840 -0.833 0.000 0.836 655 L CB 2.153 43.917 42.059 -0.492 0.000 1.384 655 L HN -0.327 nan 8.230 nan 0.000 0.410 656 P HA 0.122 nan 4.420 nan 0.000 0.268 656 P C -0.148 176.881 177.300 -0.451 0.000 1.485 656 P CA 0.014 62.269 63.100 -1.409 0.000 1.102 656 P CB 0.780 31.798 31.700 -1.136 0.000 1.501 657 V N 3.733 123.457 119.914 -0.315 0.000 2.763 657 V HA 0.405 4.527 4.120 0.004 0.000 0.306 657 V C 1.324 177.502 176.094 0.139 0.000 1.059 657 V CA 1.198 63.496 62.300 -0.002 0.000 1.138 657 V CB 0.398 32.315 31.823 0.157 0.000 0.940 657 V HN 0.828 nan 8.190 nan 0.000 0.489 658 G N 3.406 112.183 108.800 -0.038 0.000 2.608 658 G HA2 0.699 4.661 3.960 0.004 0.000 0.291 658 G HA3 0.699 4.661 3.960 0.004 0.000 0.291 658 G C -1.698 173.038 174.900 -0.273 0.000 1.425 658 G CA -0.497 44.421 45.100 -0.304 0.000 0.787 658 G HN 0.943 nan 8.290 nan 0.000 0.484 659 Y N -1.337 118.654 120.300 -0.516 0.000 2.597 659 Y HA 0.703 5.255 4.550 0.004 0.000 0.340 659 Y C -0.671 174.924 175.900 -0.509 0.000 1.097 659 Y CA -1.588 56.220 58.100 -0.487 0.000 1.037 659 Y CB 1.089 39.383 38.460 -0.277 0.000 1.305 659 Y HN 0.584 nan 8.280 nan 0.000 0.463 660 H N 1.579 120.477 119.070 -0.286 0.000 2.722 660 H HA 0.414 4.973 4.556 0.004 0.000 0.328 660 H C 0.307 175.429 175.328 -0.343 0.000 1.067 660 H CA 0.292 56.143 56.048 -0.328 0.000 1.447 660 H CB 1.292 30.988 29.762 -0.111 0.000 1.469 660 H HN 1.037 nan 8.280 nan 0.000 0.544 661 G N 1.533 110.035 108.800 -0.497 0.000 2.568 661 G HA2 0.361 4.324 3.960 0.004 0.000 0.293 661 G HA3 0.361 4.324 3.960 0.004 0.000 0.293 661 G C -0.298 174.636 174.900 0.057 0.000 1.347 661 G CA -0.772 44.114 45.100 -0.357 0.000 1.039 661 G HN 0.450 nan 8.290 nan 0.000 0.523 662 R N -0.501 120.145 120.500 0.243 0.000 2.207 662 R HA 0.557 4.900 4.340 0.004 0.000 0.334 662 R C 0.975 177.422 176.300 0.245 0.000 1.013 662 R CA 0.373 56.592 56.100 0.198 0.000 0.858 662 R CB 0.978 31.346 30.300 0.115 0.000 1.094 662 R HN 0.425 nan 8.270 nan 0.000 0.457 663 A N 2.837 125.764 122.820 0.178 0.000 1.897 663 A HA -0.111 4.211 4.320 0.004 0.000 0.215 663 A C 1.874 179.490 177.584 0.054 0.000 1.181 663 A CA 1.503 53.615 52.037 0.126 0.000 0.620 663 A CB -0.704 18.360 19.000 0.106 0.000 0.821 663 A HN 0.877 nan 8.150 nan 0.000 0.443 664 S N 0.838 116.567 115.700 0.048 0.000 2.383 664 S HA -0.165 4.307 4.470 0.004 0.000 0.229 664 S C 1.756 176.363 174.600 0.012 0.000 1.030 664 S CA 1.786 60.002 58.200 0.027 0.000 1.002 664 S CB -0.893 62.323 63.200 0.026 0.000 0.829 664 S HN 0.908 nan 8.310 nan 0.000 0.467 665 S N 0.576 116.281 115.700 0.008 0.000 2.671 665 S HA 0.383 4.855 4.470 0.004 0.000 0.220 665 S C 0.316 174.894 174.600 -0.037 0.000 0.951 665 S CA -0.629 57.563 58.200 -0.013 0.000 0.932 665 S CB -0.814 62.374 63.200 -0.019 0.000 0.777 665 S HN 0.532 nan 8.310 nan 0.000 0.508 666 I N 3.139 123.678 120.570 -0.053 0.000 2.396 666 I HA 0.279 4.452 4.170 0.004 0.000 0.289 666 I C 0.065 176.161 176.117 -0.036 0.000 1.056 666 I CA -0.659 60.584 61.300 -0.094 0.000 1.365 666 I CB 1.128 39.025 38.000 -0.171 0.000 1.407 666 I HN 0.171 nan 8.210 nan 0.000 0.509 667 V N 5.090 124.997 119.914 -0.012 0.000 2.960 667 V HA 0.568 4.691 4.120 0.004 0.000 0.315 667 V C -0.229 175.879 176.094 0.024 0.000 1.087 667 V CA -0.863 61.442 62.300 0.007 0.000 0.982 667 V CB 1.901 33.728 31.823 0.007 0.000 1.039 667 V HN 0.411 nan 8.190 nan 0.000 0.437 668 V N 2.151 122.074 119.914 0.015 0.000 2.881 668 V HA 0.385 4.507 4.120 0.004 0.000 0.303 668 V C 1.054 177.168 176.094 0.033 0.000 1.070 668 V CA 0.607 62.916 62.300 0.015 0.000 1.074 668 V CB 1.739 33.550 31.823 -0.020 0.000 1.012 668 V HN 1.375 nan 8.190 nan 0.000 0.482 669 S N 3.917 119.645 115.700 0.046 0.000 2.593 669 S HA 0.321 4.794 4.470 0.004 0.000 0.300 669 S C 1.186 175.820 174.600 0.056 0.000 1.267 669 S CA 1.031 59.275 58.200 0.073 0.000 1.065 669 S CB -0.220 63.028 63.200 0.080 0.000 0.807 669 S HN 2.261 nan 8.310 nan 0.000 0.499 670 G N 3.254 112.100 108.800 0.078 0.000 2.213 670 G HA2 -0.209 3.753 3.960 0.004 0.000 0.226 670 G HA3 -0.209 3.753 3.960 0.004 0.000 0.226 670 G C 0.190 175.109 174.900 0.033 0.000 0.992 670 G CA 0.094 45.227 45.100 0.054 0.000 0.632 670 G HN 0.915 nan 8.290 nan 0.000 0.511 671 T N 3.843 118.414 114.554 0.029 0.000 2.779 671 T HA 0.485 4.838 4.350 0.004 0.000 0.296 671 T C -2.092 172.591 174.700 -0.028 0.000 0.938 671 T CA -0.352 61.746 62.100 -0.002 0.000 1.119 671 T CB 1.563 70.428 68.868 -0.005 0.000 0.891 671 T HN 0.122 nan 8.240 nan 0.000 0.526 672 P HA 0.200 nan 4.420 nan 0.000 0.268 672 P C -0.631 176.580 177.300 -0.149 0.000 1.204 672 P CA -0.330 62.719 63.100 -0.085 0.000 0.768 672 P CB 0.392 32.059 31.700 -0.055 0.000 0.842 673 I N 3.171 123.584 120.570 -0.262 0.000 2.362 673 I HA 0.340 4.512 4.170 0.004 0.000 0.289 673 I C 0.707 176.700 176.117 -0.207 0.000 0.994 673 I CA -0.654 60.448 61.300 -0.331 0.000 1.158 673 I CB 1.216 38.728 38.000 -0.812 0.000 1.315 673 I HN 0.314 nan 8.210 nan 0.000 0.451 674 R N 5.322 125.760 120.500 -0.103 0.000 2.308 674 R HA 0.269 4.612 4.340 0.004 0.000 0.305 674 R C 0.337 176.571 176.300 -0.110 0.000 1.053 674 R CA -0.658 55.390 56.100 -0.086 0.000 0.957 674 R CB 0.927 31.193 30.300 -0.057 0.000 1.022 674 R HN 0.587 nan 8.270 nan 0.000 0.461 675 R N 5.786 126.205 120.500 -0.135 0.000 2.502 675 R HA 0.042 4.385 4.340 0.004 0.000 0.292 675 R C -2.021 174.124 176.300 -0.258 0.000 0.998 675 R CA -0.834 55.145 56.100 -0.200 0.000 1.056 675 R CB 0.441 30.656 30.300 -0.143 0.000 0.939 675 R HN 0.451 nan 8.270 nan 0.000 0.411 676 P HA 0.098 nan 4.420 nan 0.000 0.277 676 P C -0.666 176.460 177.300 -0.290 0.000 1.240 676 P CA -0.269 62.596 63.100 -0.391 0.000 0.798 676 P CB 1.084 32.371 31.700 -0.689 0.000 0.979 677 M N 1.057 120.530 119.600 -0.212 0.000 2.409 677 M HA 0.671 5.154 4.480 0.004 0.000 0.329 677 M C 0.822 177.008 176.300 -0.189 0.000 1.180 677 M CA -0.043 55.099 55.300 -0.263 0.000 1.053 677 M CB 1.214 33.692 32.600 -0.203 0.000 1.586 677 M HN 0.729 nan 8.290 nan 0.000 0.461 678 G N 0.843 109.492 108.800 -0.253 0.000 2.340 678 G HA2 0.256 4.219 3.960 0.004 0.000 0.299 678 G HA3 0.256 4.219 3.960 0.004 0.000 0.299 678 G C -2.055 172.859 174.900 0.023 0.000 1.291 678 G CA -0.686 44.399 45.100 -0.026 0.000 0.841 678 G HN 0.565 nan 8.290 nan 0.000 0.500 679 Q N -0.344 119.553 119.800 0.161 0.000 2.257 679 Q HA 0.730 5.072 4.340 0.004 0.000 0.255 679 Q C -0.754 175.351 176.000 0.174 0.000 0.920 679 Q CA -0.301 55.631 55.803 0.216 0.000 0.927 679 Q CB 1.268 30.224 28.738 0.363 0.000 1.229 679 Q HN 0.481 nan 8.270 nan 0.000 0.433 680 M N 1.782 121.370 119.600 -0.020 0.000 2.631 680 M HA 0.485 4.967 4.480 0.004 0.000 0.288 680 M C -0.864 175.169 176.300 -0.445 0.000 1.260 680 M CA -0.533 54.682 55.300 -0.142 0.000 0.842 680 M CB 2.549 35.077 32.600 -0.120 0.000 1.743 680 M HN 0.365 nan 8.290 nan 0.000 0.461 681 R N 0.818 121.012 120.500 -0.511 0.000 2.639 681 R HA 0.396 4.739 4.340 0.004 0.000 0.273 681 R C -2.322 173.790 176.300 -0.313 0.000 1.732 681 R CA -1.235 54.495 56.100 -0.617 0.000 1.586 681 R CB 0.705 30.287 30.300 -1.196 0.000 1.263 681 R HN 0.432 nan 8.270 nan 0.000 0.615 682 P HA -0.078 nan 4.420 nan 0.000 0.215 682 P C -0.200 177.035 177.300 -0.108 0.000 1.157 682 P CA 0.819 63.843 63.100 -0.127 0.000 0.859 682 P CB 0.237 31.874 31.700 -0.105 0.000 0.786 683 D N -0.717 119.608 120.400 -0.126 0.000 2.396 683 D HA 0.024 4.666 4.640 0.004 0.000 0.225 683 D C 0.884 177.116 176.300 -0.114 0.000 1.121 683 D CA -0.246 53.696 54.000 -0.096 0.000 0.853 683 D CB 0.088 40.840 40.800 -0.080 0.000 1.043 683 D HN -0.231 nan 8.370 nan 0.000 0.500 684 N N 1.777 120.430 118.700 -0.078 0.000 2.272 684 N HA -0.182 4.561 4.740 0.004 0.000 0.185 684 N C 1.175 176.654 175.510 -0.051 0.000 1.014 684 N CA 1.193 54.205 53.050 -0.062 0.000 0.870 684 N CB 0.157 38.633 38.487 -0.019 0.000 0.975 684 N HN 0.318 nan 8.380 nan 0.000 0.433 685 S N -1.862 113.811 115.700 -0.044 0.000 2.605 685 S HA 0.245 4.717 4.470 0.004 0.000 0.217 685 S C 0.357 174.932 174.600 -0.041 0.000 0.958 685 S CA -0.185 57.997 58.200 -0.031 0.000 0.919 685 S CB 0.330 63.518 63.200 -0.020 0.000 0.780 685 S HN 0.103 nan 8.310 nan 0.000 0.507 686 K N 0.952 121.311 120.400 -0.068 0.000 2.444 686 K HA 0.559 4.882 4.320 0.004 0.000 0.252 686 K C -3.222 173.314 176.600 -0.107 0.000 0.993 686 K CA -2.490 53.753 56.287 -0.073 0.000 0.847 686 K CB 1.298 33.755 32.500 -0.072 0.000 1.340 686 K HN -0.066 nan 8.250 nan 0.000 0.446 687 P HA 0.106 nan 4.420 nan 0.000 0.272 687 P C -2.463 174.735 177.300 -0.171 0.000 1.230 687 P CA -0.950 62.096 63.100 -0.092 0.000 0.788 687 P CB -0.125 31.553 31.700 -0.036 0.000 0.949 688 P HA 0.054 nan 4.420 nan 0.000 0.272 688 P C -0.798 176.423 177.300 -0.132 0.000 1.240 688 P CA 0.078 62.979 63.100 -0.333 0.000 0.791 688 P CB 0.450 31.952 31.700 -0.329 0.000 0.978 689 V N -1.395 118.447 119.914 -0.121 0.000 3.074 689 V HA 0.569 4.691 4.120 0.004 0.000 0.314 689 V C -1.145 174.979 176.094 0.049 0.000 1.117 689 V CA -1.148 61.138 62.300 -0.024 0.000 1.014 689 V CB 1.823 33.613 31.823 -0.054 0.000 1.057 689 V HN 0.538 nan 8.190 nan 0.000 0.438 690 Y N 1.409 121.691 120.300 -0.031 0.000 2.341 690 Y HA 0.892 5.443 4.550 0.002 0.000 0.337 690 Y C 0.160 176.043 175.900 -0.029 0.000 1.014 690 Y CA 0.511 58.602 58.100 -0.016 0.000 1.111 690 Y CB 1.383 39.842 38.460 -0.001 0.000 1.194 690 Y HN 1.381 nan 8.280 nan 0.000 0.462 691 G N 2.470 110.850 108.800 -0.700 0.000 2.342 691 G HA2 0.486 4.449 3.960 0.004 0.000 0.297 691 G HA3 0.486 4.449 3.960 0.004 0.000 0.297 691 G C -1.792 172.833 174.900 -0.458 0.000 1.313 691 G CA -0.536 44.239 45.100 -0.542 0.000 0.830 691 G HN 0.927 nan 8.290 nan 0.000 0.506 692 A N -0.796 121.842 122.820 -0.302 0.000 2.425 692 A HA 0.503 4.825 4.320 0.004 0.000 0.249 692 A C 1.062 178.522 177.584 -0.207 0.000 1.084 692 A CA 0.519 52.413 52.037 -0.239 0.000 0.781 692 A CB -0.033 18.865 19.000 -0.171 0.000 1.019 692 A HN 2.248 nan 8.150 nan 0.000 0.490 693 C N 2.960 122.129 119.300 -0.217 0.000 2.611 693 C HA 0.255 4.717 4.460 0.004 0.000 0.416 693 C C 1.478 176.371 174.990 -0.163 0.000 1.366 693 C CA -0.124 58.773 59.018 -0.202 0.000 1.761 693 C CB -0.750 26.835 27.740 -0.259 0.000 2.619 693 C HN 0.949 nan 8.230 nan 0.000 0.606 694 R N 2.835 123.240 120.500 -0.158 0.000 2.254 694 R HA 0.237 4.580 4.340 0.004 0.000 0.193 694 R C 0.017 176.204 176.300 -0.189 0.000 0.929 694 R CA 0.419 56.439 56.100 -0.134 0.000 1.038 694 R CB 0.069 30.301 30.300 -0.113 0.000 1.009 694 R HN 0.686 nan 8.270 nan 0.000 0.512 695 L N 2.519 123.559 121.223 -0.304 0.000 2.603 695 L HA 0.321 4.663 4.340 0.004 0.000 0.242 695 L C -0.901 175.755 176.870 -0.356 0.000 1.169 695 L CA -0.687 53.776 54.840 -0.629 0.000 1.029 695 L CB 0.798 42.366 42.059 -0.817 0.000 1.361 695 L HN -0.026 nan 8.230 nan 0.000 0.439 696 L N 1.320 122.491 121.223 -0.087 0.000 2.305 696 L HA 0.509 4.852 4.340 0.004 0.000 0.281 696 L C -0.400 176.666 176.870 0.327 0.000 1.085 696 L CA 0.698 55.607 54.840 0.114 0.000 0.813 696 L CB 0.970 43.096 42.059 0.113 0.000 1.157 696 L HN 0.266 nan 8.230 nan 0.000 0.436 697 D N 3.067 123.698 120.400 0.385 0.000 2.559 697 D HA 0.625 5.267 4.640 0.004 0.000 0.250 697 D C -0.917 175.588 176.300 0.341 0.000 1.135 697 D CA -0.451 53.799 54.000 0.417 0.000 0.955 697 D CB 1.676 42.740 40.800 0.439 0.000 1.442 697 D HN 0.448 nan 8.370 nan 0.000 0.471 698 M N -0.453 119.253 119.600 0.176 0.000 2.762 698 M HA 0.692 5.175 4.480 0.004 0.000 0.306 698 M C -0.875 175.398 176.300 -0.044 0.000 1.223 698 M CA -0.237 55.015 55.300 -0.080 0.000 0.896 698 M CB 1.749 34.192 32.600 -0.261 0.000 1.684 698 M HN 0.066 nan 8.290 nan 0.000 0.491 699 E N 1.211 121.325 120.200 -0.142 0.000 2.302 699 E HA 0.384 4.736 4.350 0.004 0.000 0.263 699 E C -1.834 174.702 176.600 -0.108 0.000 0.897 699 E CA -0.787 55.573 56.400 -0.067 0.000 0.809 699 E CB 2.274 31.967 29.700 -0.012 0.000 1.270 699 E HN 0.758 nan 8.360 nan 0.000 0.410 700 L N 3.595 124.777 121.223 -0.068 0.000 2.433 700 L HA 0.189 4.532 4.340 0.004 0.000 0.275 700 L C -0.536 176.322 176.870 -0.020 0.000 1.128 700 L CA 1.040 55.846 54.840 -0.055 0.000 0.875 700 L CB -0.039 42.016 42.059 -0.008 0.000 1.171 700 L HN 0.503 nan 8.230 nan 0.000 0.463 701 E N 4.995 125.173 120.200 -0.036 0.000 2.449 701 E HA 0.533 4.886 4.350 0.004 0.000 0.278 701 E C -1.259 175.311 176.600 -0.051 0.000 0.992 701 E CA -0.951 55.459 56.400 0.017 0.000 0.807 701 E CB 2.124 31.851 29.700 0.046 0.000 1.350 701 E HN 0.529 nan 8.360 nan 0.000 0.462 702 M N 0.755 120.337 119.600 -0.030 0.000 2.591 702 M HA 0.748 5.231 4.480 0.004 0.000 0.306 702 M C -1.135 175.141 176.300 -0.041 0.000 1.190 702 M CA -0.731 54.456 55.300 -0.188 0.000 0.889 702 M CB 2.304 34.559 32.600 -0.575 0.000 1.728 702 M HN 0.680 nan 8.290 nan 0.000 0.458 703 A N 1.804 124.588 122.820 -0.060 0.000 2.556 703 A HA 0.933 5.256 4.320 0.004 0.000 0.294 703 A C -1.644 175.962 177.584 0.037 0.000 1.091 703 A CA -0.604 51.417 52.037 -0.027 0.000 0.704 703 A CB 1.423 20.331 19.000 -0.153 0.000 1.300 703 A HN 0.790 nan 8.150 nan 0.000 0.406 704 F N -1.044 118.886 119.950 -0.034 0.000 2.577 704 F HA 0.884 5.415 4.527 0.006 0.000 0.318 704 F C -1.285 174.492 175.800 -0.038 0.000 1.065 704 F CA -1.544 56.475 58.000 0.032 0.000 0.929 704 F CB 1.035 40.124 39.000 0.148 0.000 1.237 704 F HN 0.365 nan 8.300 nan 0.000 0.468 705 F N 1.763 121.930 119.950 0.360 0.000 2.399 705 F HA 0.587 5.115 4.527 0.002 0.000 0.334 705 F C 0.081 176.091 175.800 0.350 0.000 1.097 705 F CA -1.009 57.132 58.000 0.235 0.000 1.076 705 F CB 1.789 40.894 39.000 0.175 0.000 1.162 705 F HN 0.310 nan 8.300 nan 0.000 0.495 706 V N 3.129 123.305 119.914 0.436 0.000 2.649 706 V HA 0.378 4.501 4.120 0.004 0.000 0.292 706 V C 0.710 177.011 176.094 0.344 0.000 1.055 706 V CA 0.046 62.585 62.300 0.398 0.000 1.023 706 V CB 1.001 32.978 31.823 0.257 0.000 0.992 706 V HN 0.969 nan 8.190 nan 0.000 0.480 707 G N 4.485 113.552 108.800 0.444 0.000 3.372 707 G HA2 0.197 4.160 3.960 0.004 0.000 0.178 707 G HA3 0.197 4.160 3.960 0.004 0.000 0.178 707 G C -1.400 173.693 174.900 0.322 0.000 1.817 707 G CA 0.055 45.455 45.100 0.500 0.000 0.996 707 G HN 0.596 nan 8.290 nan 0.000 0.559 708 P HA 0.029 nan 4.420 nan 0.000 0.216 708 P C 1.102 178.533 177.300 0.217 0.000 1.157 708 P CA 2.180 65.374 63.100 0.157 0.000 0.880 708 P CB -0.223 31.494 31.700 0.028 0.000 0.791 709 G N -0.532 108.496 108.800 0.380 0.000 2.796 709 G HA2 -0.108 3.855 3.960 0.004 0.000 0.571 709 G HA3 -0.108 3.855 3.960 0.004 0.000 0.571 709 G C -0.830 174.094 174.900 0.040 0.000 1.370 709 G CA -0.250 44.925 45.100 0.126 0.000 0.856 709 G HN 0.501 nan 8.290 nan 0.000 0.538 710 N N -0.624 118.054 118.700 -0.038 0.000 2.381 710 N HA 0.597 5.339 4.740 0.004 0.000 0.294 710 N C -0.111 175.410 175.510 0.019 0.000 1.216 710 N CA -0.935 52.098 53.050 -0.029 0.000 0.803 710 N CB 1.350 39.778 38.487 -0.098 0.000 1.372 710 N HN 0.849 nan 8.380 nan 0.000 0.500 711 R N -0.211 120.306 120.500 0.029 0.000 2.594 711 R HA 0.163 4.506 4.340 0.004 0.000 0.272 711 R C -0.100 176.254 176.300 0.091 0.000 1.074 711 R CA -0.553 55.587 56.100 0.066 0.000 1.105 711 R CB 0.380 30.711 30.300 0.052 0.000 1.008 711 R HN 0.530 nan 8.270 nan 0.000 0.472 712 F N 1.666 121.605 119.950 -0.019 0.000 2.593 712 F HA 0.078 4.608 4.527 0.005 0.000 0.393 712 F C 1.281 177.069 175.800 -0.020 0.000 1.037 712 F CA 1.736 59.724 58.000 -0.020 0.000 1.195 712 F CB 0.231 39.221 39.000 -0.018 0.000 1.034 712 F HN 0.836 nan 8.300 nan 0.000 0.552 713 G N 3.898 112.363 108.800 -0.559 0.000 2.175 713 G HA2 -0.251 3.711 3.960 0.004 0.000 0.244 713 G HA3 -0.251 3.711 3.960 0.004 0.000 0.244 713 G C -0.052 174.718 174.900 -0.217 0.000 0.982 713 G CA 0.076 44.898 45.100 -0.464 0.000 0.641 713 G HN 0.645 nan 8.290 nan 0.000 0.527 714 E N 1.289 121.406 120.200 -0.139 0.000 2.145 714 E HA 0.408 4.761 4.350 0.004 0.000 0.262 714 E C -2.593 173.960 176.600 -0.078 0.000 0.883 714 E CA -1.996 54.353 56.400 -0.086 0.000 0.748 714 E CB 2.073 31.745 29.700 -0.046 0.000 1.140 714 E HN 0.161 nan 8.360 nan 0.000 0.417 715 P HA 0.049 nan 4.420 nan 0.000 0.270 715 P C -0.505 176.767 177.300 -0.047 0.000 1.223 715 P CA 0.081 63.145 63.100 -0.059 0.000 0.785 715 P CB 0.706 32.373 31.700 -0.056 0.000 0.923 716 I N 3.227 123.771 120.570 -0.043 0.000 2.307 716 I HA 0.256 4.429 4.170 0.004 0.000 0.289 716 I C -2.122 173.997 176.117 0.002 0.000 1.021 716 I CA -2.497 58.772 61.300 -0.052 0.000 1.224 716 I CB 1.361 39.278 38.000 -0.138 0.000 1.376 716 I HN 0.143 nan 8.210 nan 0.000 0.470 717 P HA 0.095 nan 4.420 nan 0.000 0.268 717 P C 0.959 178.252 177.300 -0.012 0.000 1.205 717 P CA -0.063 63.046 63.100 0.014 0.000 0.771 717 P CB 1.033 32.738 31.700 0.008 0.000 0.858 718 I N 2.513 123.061 120.570 -0.037 0.000 2.335 718 I HA -0.290 3.882 4.170 0.004 0.000 0.251 718 I C 1.777 177.707 176.117 -0.311 0.000 1.129 718 I CA 1.880 63.103 61.300 -0.130 0.000 1.402 718 I CB -0.040 37.886 38.000 -0.123 0.000 1.069 718 I HN 0.358 nan 8.210 nan 0.000 0.424 719 S N -0.086 115.429 115.700 -0.309 0.000 2.447 719 S HA -0.077 4.396 4.470 0.004 0.000 0.233 719 S C 1.747 176.351 174.600 0.006 0.000 1.006 719 S CA 0.551 58.575 58.200 -0.293 0.000 0.957 719 S CB -0.185 62.953 63.200 -0.103 0.000 0.773 719 S HN 0.379 nan 8.310 nan 0.000 0.507 720 K N 0.857 121.260 120.400 0.006 0.000 2.355 720 K HA 0.459 4.782 4.320 0.004 0.000 0.198 720 K C 2.115 178.724 176.600 0.015 0.000 1.039 720 K CA 0.689 56.983 56.287 0.012 0.000 1.075 720 K CB -0.406 32.122 32.500 0.045 0.000 0.870 720 K HN 0.391 nan 8.250 nan 0.000 0.540 721 A N 2.603 125.456 122.820 0.054 0.000 1.927 721 A HA -0.247 4.075 4.320 0.004 0.000 0.220 721 A C 2.003 179.622 177.584 0.059 0.000 1.185 721 A CA 2.041 54.128 52.037 0.083 0.000 0.639 721 A CB -1.055 17.947 19.000 0.002 0.000 0.820 721 A HN 0.536 nan 8.150 nan 0.000 0.451 722 H N -0.634 118.407 119.070 -0.049 0.000 2.518 722 H HA -0.013 4.546 4.556 0.005 0.000 0.289 722 H C 1.234 176.626 175.328 0.106 0.000 1.051 722 H CA 1.413 57.438 56.048 -0.039 0.000 1.280 722 H CB -0.420 29.311 29.762 -0.051 0.000 1.380 722 H HN 0.664 nan 8.280 nan 0.000 0.566 723 E N 0.195 120.073 120.200 -0.537 0.000 2.427 723 E HA -0.058 4.295 4.350 0.004 0.000 0.196 723 E C 0.721 177.154 176.600 -0.277 0.000 1.028 723 E CA 0.331 56.460 56.400 -0.452 0.000 0.864 723 E CB 0.060 29.389 29.700 -0.618 0.000 0.813 723 E HN 0.745 nan 8.360 nan 0.000 0.514 724 H N -0.620 118.503 119.070 0.089 0.000 2.586 724 H HA 0.253 4.812 4.556 0.004 0.000 0.273 724 H C -0.066 175.487 175.328 0.374 0.000 0.997 724 H CA -0.055 56.132 56.048 0.231 0.000 1.177 724 H CB 0.510 30.361 29.762 0.148 0.000 1.471 724 H HN -0.028 nan 8.280 nan 0.000 0.538 725 I N 0.994 121.823 120.570 0.432 0.000 2.312 725 I HA 0.019 4.192 4.170 0.004 0.000 0.290 725 I C 0.251 176.548 176.117 0.300 0.000 1.008 725 I CA -0.429 61.093 61.300 0.371 0.000 1.226 725 I CB 0.957 39.053 38.000 0.160 0.000 1.371 725 I HN 0.158 nan 8.210 nan 0.000 0.468 726 F N 5.843 125.812 119.950 0.033 0.000 2.123 726 F HA 0.371 4.902 4.527 0.006 0.000 0.289 726 F C 1.195 176.861 175.800 -0.224 0.000 1.099 726 F CA 1.133 58.842 58.000 -0.484 0.000 1.234 726 F CB 0.264 38.960 39.000 -0.507 0.000 1.034 726 F HN 0.411 nan 8.300 nan 0.000 0.479 727 G N -0.491 108.381 108.800 0.119 0.000 2.495 727 G HA2 0.457 4.420 3.960 0.004 0.000 0.294 727 G HA3 0.457 4.420 3.960 0.004 0.000 0.294 727 G C -1.701 173.400 174.900 0.335 0.000 1.397 727 G CA -0.914 44.227 45.100 0.068 0.000 0.790 727 G HN 0.069 nan 8.290 nan 0.000 0.486 728 M N -0.141 119.629 119.600 0.283 0.000 2.716 728 M HA 0.764 5.246 4.480 0.004 0.000 0.307 728 M C -0.149 176.413 176.300 0.437 0.000 1.223 728 M CA -1.132 54.365 55.300 0.329 0.000 0.871 728 M CB 2.451 35.174 32.600 0.204 0.000 1.739 728 M HN 0.819 nan 8.290 nan 0.000 0.475 729 V N -0.790 119.298 119.914 0.289 0.000 3.159 729 V HA 0.654 4.777 4.120 0.004 0.000 0.308 729 V C -1.112 174.979 176.094 -0.005 0.000 1.190 729 V CA -1.133 61.333 62.300 0.277 0.000 1.037 729 V CB 1.841 33.826 31.823 0.270 0.000 1.060 729 V HN 0.827 nan 8.190 nan 0.000 0.437 730 L N 2.371 123.571 121.223 -0.039 0.000 2.399 730 L HA 0.700 5.043 4.340 0.004 0.000 0.266 730 L C -0.032 176.781 176.870 -0.095 0.000 1.114 730 L CA -0.262 54.477 54.840 -0.168 0.000 0.804 730 L CB 1.497 43.464 42.059 -0.155 0.000 1.146 730 L HN 0.837 nan 8.230 nan 0.000 0.451 731 M N 2.711 122.238 119.600 -0.121 0.000 2.470 731 M HA 0.390 4.872 4.480 0.004 0.000 0.285 731 M C -1.871 174.333 176.300 -0.159 0.000 1.213 731 M CA -0.589 54.641 55.300 -0.118 0.000 0.901 731 M CB 2.362 34.895 32.600 -0.112 0.000 1.718 731 M HN 0.496 nan 8.290 nan 0.000 0.469 732 N N 2.707 121.271 118.700 -0.227 0.000 2.524 732 N HA 0.219 4.961 4.740 0.004 0.000 0.261 732 N C -1.834 173.405 175.510 -0.452 0.000 0.998 732 N CA -0.200 52.591 53.050 -0.431 0.000 0.915 732 N CB 1.259 39.309 38.487 -0.728 0.000 1.187 732 N HN 0.670 nan 8.380 nan 0.000 0.507 733 D N 3.696 123.941 120.400 -0.258 0.000 2.517 733 D HA 0.093 4.735 4.640 0.004 0.000 0.220 733 D C -0.295 175.958 176.300 -0.078 0.000 1.158 733 D CA -0.322 53.619 54.000 -0.098 0.000 0.992 733 D CB -0.252 40.578 40.800 0.050 0.000 1.058 733 D HN 0.355 nan 8.370 nan 0.000 0.516 734 W N 2.415 123.670 121.300 -0.075 0.000 2.343 734 W HA 0.089 4.753 4.660 0.008 0.000 0.337 734 W C 0.595 177.118 176.519 0.008 0.000 1.320 734 W CA -0.217 57.107 57.345 -0.035 0.000 1.290 734 W CB 0.380 29.753 29.460 -0.144 0.000 1.206 734 W HN 0.108 nan 8.180 nan 0.000 0.565 735 S N 1.909 117.894 115.700 0.474 0.000 2.538 735 S HA 0.727 5.199 4.470 0.004 0.000 0.288 735 S C -0.562 174.301 174.600 0.437 0.000 1.108 735 S CA -0.997 57.462 58.200 0.431 0.000 0.971 735 S CB 1.845 65.190 63.200 0.242 0.000 1.041 735 S HN 0.543 nan 8.310 nan 0.000 0.483 736 A N 3.039 126.073 122.820 0.356 0.000 2.540 736 A HA 0.387 4.710 4.320 0.004 0.000 0.340 736 A C 1.295 178.883 177.584 0.007 0.000 1.424 736 A CA -0.657 51.414 52.037 0.057 0.000 0.940 736 A CB 0.075 18.989 19.000 -0.143 0.000 1.149 736 A HN 0.756 nan 8.150 nan 0.000 0.505 737 R N 1.567 122.042 120.500 -0.041 0.000 2.091 737 R HA -0.184 4.158 4.340 0.004 0.000 0.238 737 R C 1.103 177.336 176.300 -0.111 0.000 1.136 737 R CA 1.980 58.031 56.100 -0.082 0.000 0.959 737 R CB -0.342 29.897 30.300 -0.102 0.000 0.856 737 R HN 0.861 nan 8.270 nan 0.000 0.437 738 D N 0.655 120.977 120.400 -0.129 0.000 2.144 738 D HA -0.129 4.513 4.640 0.004 0.000 0.200 738 D C 2.055 178.343 176.300 -0.020 0.000 0.978 738 D CA 0.916 54.861 54.000 -0.091 0.000 0.833 738 D CB -0.642 40.085 40.800 -0.121 0.000 0.961 738 D HN 0.251 nan 8.370 nan 0.000 0.470 739 I N 0.307 120.865 120.570 -0.020 0.000 2.252 739 I HA -0.252 3.920 4.170 0.004 0.000 0.245 739 I C 2.838 179.006 176.117 0.086 0.000 1.102 739 I CA 1.126 62.457 61.300 0.052 0.000 1.385 739 I CB -0.353 37.653 38.000 0.010 0.000 1.064 739 I HN 0.058 nan 8.210 nan 0.000 0.414 740 Q N 0.881 120.686 119.800 0.009 0.000 2.050 740 Q HA -0.303 4.040 4.340 0.004 0.000 0.202 740 Q C 2.277 178.244 176.000 -0.056 0.000 0.980 740 Q CA 1.819 57.591 55.803 -0.051 0.000 0.840 740 Q CB -0.114 28.513 28.738 -0.186 0.000 0.898 740 Q HN 0.482 nan 8.270 nan 0.000 0.424 741 Q N -0.359 119.385 119.800 -0.094 0.000 2.152 741 Q HA -0.213 4.129 4.340 0.004 0.000 0.206 741 Q C 1.726 177.877 176.000 0.252 0.000 0.985 741 Q CA 1.834 57.624 55.803 -0.022 0.000 0.863 741 Q CB -0.363 28.317 28.738 -0.098 0.000 0.904 741 Q HN 0.675 nan 8.270 nan 0.000 0.422 742 W N 1.148 122.459 121.300 0.018 0.000 2.453 742 W HA -0.137 4.525 4.660 0.003 0.000 0.289 742 W C 1.675 178.230 176.519 0.059 0.000 1.215 742 W CA 1.367 58.729 57.345 0.029 0.000 1.297 742 W CB 0.127 29.592 29.460 0.008 0.000 1.113 742 W HN 0.320 nan 8.180 nan 0.000 0.551 743 E N 0.083 120.294 120.200 0.017 0.000 2.170 743 E HA -0.264 4.089 4.350 0.004 0.000 0.191 743 E C 1.970 178.549 176.600 -0.035 0.000 0.981 743 E CA 0.912 57.240 56.400 -0.120 0.000 0.830 743 E CB -1.623 28.104 29.700 0.045 0.000 0.775 743 E HN 0.537 nan 8.360 nan 0.000 0.470 744 Y N 1.084 121.306 120.300 -0.130 0.000 2.639 744 Y HA 0.200 4.753 4.550 0.004 0.000 0.297 744 Y C -0.015 175.793 175.900 -0.153 0.000 1.151 744 Y CA -0.329 57.689 58.100 -0.136 0.000 1.335 744 Y CB 0.233 38.609 38.460 -0.139 0.000 0.994 744 Y HN -0.218 nan 8.280 nan 0.000 0.548 745 V N 4.091 123.734 119.914 -0.451 0.000 2.427 745 V HA 0.234 4.356 4.120 0.004 0.000 0.286 745 V C -1.461 174.455 176.094 -0.297 0.000 1.034 745 V CA -1.285 60.733 62.300 -0.471 0.000 0.893 745 V CB 1.437 33.001 31.823 -0.432 0.000 0.982 745 V HN 0.250 nan 8.190 nan 0.000 0.452 746 P HA 0.324 nan 4.420 nan 0.000 0.280 746 P C 0.542 177.725 177.300 -0.195 0.000 1.431 746 P CA 0.038 62.995 63.100 -0.238 0.000 1.058 746 P CB 0.603 32.199 31.700 -0.173 0.000 1.521 747 L N -0.984 120.128 121.223 -0.184 0.000 2.592 747 L HA 0.387 4.730 4.340 0.004 0.000 0.227 747 L C 1.097 177.901 176.870 -0.109 0.000 1.127 747 L CA 0.504 55.258 54.840 -0.144 0.000 0.884 747 L CB -0.484 41.477 42.059 -0.164 0.000 1.065 747 L HN 0.143 nan 8.230 nan 0.000 0.457 748 G N 0.259 109.000 108.800 -0.098 0.000 2.592 748 G HA2 -0.134 3.829 3.960 0.004 0.000 0.684 748 G HA3 -0.134 3.829 3.960 0.004 0.000 0.684 748 G C -2.959 171.963 174.900 0.036 0.000 1.291 748 G CA -1.244 43.838 45.100 -0.030 0.000 0.891 748 G HN -0.094 nan 8.290 nan 0.000 0.544 749 P HA 0.489 nan 4.420 nan 0.000 0.268 749 P C -0.159 177.222 177.300 0.135 0.000 1.204 749 P CA 0.105 63.141 63.100 -0.107 0.000 0.768 749 P CB 0.558 31.954 31.700 -0.506 0.000 0.842 750 F N 2.356 122.307 119.950 0.002 0.000 1.964 750 F HA 0.253 4.784 4.527 0.007 0.000 0.217 750 F C 1.409 177.268 175.800 0.099 0.000 1.267 750 F CA 0.220 58.253 58.000 0.056 0.000 1.271 750 F CB -0.668 38.353 39.000 0.036 0.000 1.937 750 F HN -0.005 nan 8.300 nan 0.000 0.147 751 L N 0.807 121.974 121.223 -0.093 0.000 2.275 751 L HA 0.009 4.352 4.340 0.004 0.000 0.215 751 L C 2.255 179.197 176.870 0.121 0.000 1.119 751 L CA 1.211 55.990 54.840 -0.102 0.000 0.790 751 L CB -1.220 40.814 42.059 -0.041 0.000 0.919 751 L HN 0.580 nan 8.230 nan 0.000 0.443 752 G N -0.420 108.462 108.800 0.137 0.000 2.559 752 G HA2 -0.147 3.816 3.960 0.004 0.000 0.216 752 G HA3 -0.147 3.816 3.960 0.004 0.000 0.216 752 G C 1.718 176.804 174.900 0.309 0.000 1.126 752 G CA 0.419 45.630 45.100 0.186 0.000 0.778 752 G HN 0.198 nan 8.290 nan 0.000 0.543 753 K N 0.064 120.593 120.400 0.215 0.000 2.462 753 K HA 0.058 4.380 4.320 0.004 0.000 0.201 753 K C 2.483 179.073 176.600 -0.015 0.000 1.268 753 K CA 0.859 57.221 56.287 0.125 0.000 0.933 753 K CB 0.069 32.672 32.500 0.171 0.000 1.162 753 K HN 0.319 nan 8.250 nan 0.000 0.527 754 S N 1.478 117.202 115.700 0.041 0.000 2.603 754 S HA -0.085 4.388 4.470 0.004 0.000 0.229 754 S C 1.774 176.361 174.600 -0.022 0.000 0.972 754 S CA 0.273 58.466 58.200 -0.011 0.000 0.935 754 S CB -0.897 62.260 63.200 -0.072 0.000 0.769 754 S HN 0.341 nan 8.310 nan 0.000 0.536 755 F N 0.884 120.838 119.950 0.006 0.000 2.604 755 F HA 0.563 5.090 4.527 0.001 0.000 0.298 755 F C 0.863 176.661 175.800 -0.004 0.000 1.131 755 F CA -0.168 57.824 58.000 -0.014 0.000 1.457 755 F CB -0.612 38.371 39.000 -0.029 0.000 1.095 755 F HN 0.342 nan 8.300 nan 0.000 0.574 756 G N -0.510 107.955 108.800 -0.559 0.000 2.405 756 G HA2 0.426 4.389 3.960 0.004 0.000 0.303 756 G HA3 0.426 4.389 3.960 0.004 0.000 0.303 756 G C -1.593 173.227 174.900 -0.134 0.000 1.644 756 G CA -0.707 44.206 45.100 -0.313 0.000 0.899 756 G HN 0.076 nan 8.290 nan 0.000 0.667 757 T N 1.312 115.892 114.554 0.043 0.000 3.071 757 T HA 0.660 5.013 4.350 0.004 0.000 0.311 757 T C -0.353 174.399 174.700 0.088 0.000 1.042 757 T CA -0.437 61.709 62.100 0.077 0.000 1.028 757 T CB 1.843 70.642 68.868 -0.115 0.000 1.068 757 T HN 0.622 nan 8.240 nan 0.000 0.451 758 T N 4.080 118.724 114.554 0.150 0.000 2.859 758 T HA 0.776 5.128 4.350 0.004 0.000 0.281 758 T C 0.098 174.803 174.700 0.008 0.000 1.005 758 T CA -0.689 61.490 62.100 0.132 0.000 1.025 758 T CB 0.566 69.623 68.868 0.314 0.000 0.977 758 T HN 0.658 nan 8.240 nan 0.000 0.458 759 I N -0.735 119.844 120.570 0.015 0.000 2.785 759 I HA 0.743 4.916 4.170 0.004 0.000 0.302 759 I C 0.177 176.329 176.117 0.059 0.000 1.069 759 I CA -1.160 60.146 61.300 0.011 0.000 1.045 759 I CB 2.229 40.231 38.000 0.003 0.000 1.236 759 I HN 0.602 nan 8.210 nan 0.000 0.429 760 S N 3.098 118.850 115.700 0.086 0.000 2.585 760 S HA 0.368 4.841 4.470 0.004 0.000 0.273 760 S C -1.613 173.060 174.600 0.122 0.000 1.339 760 S CA -0.822 57.456 58.200 0.130 0.000 1.028 760 S CB 0.663 63.982 63.200 0.199 0.000 0.906 760 S HN 0.734 nan 8.310 nan 0.000 0.528 761 P HA 0.094 nan 4.420 nan 0.000 0.235 761 P C -0.591 176.589 177.300 -0.200 0.000 1.177 761 P CA 0.392 63.411 63.100 -0.134 0.000 0.785 761 P CB 0.046 31.554 31.700 -0.320 0.000 0.885 762 W N 0.926 122.317 121.300 0.151 0.000 2.332 762 W HA 0.314 4.981 4.660 0.011 0.000 0.306 762 W C -0.168 176.455 176.519 0.173 0.000 1.149 762 W CA -0.791 56.627 57.345 0.121 0.000 1.271 762 W CB 1.055 30.567 29.460 0.085 0.000 1.243 762 W HN -0.372 nan 8.180 nan 0.000 0.459 763 V N 5.685 125.849 119.914 0.418 0.000 2.372 763 V HA 0.057 4.180 4.120 0.004 0.000 0.261 763 V C 0.231 176.498 176.094 0.289 0.000 1.055 763 V CA -0.751 61.789 62.300 0.401 0.000 0.930 763 V CB 0.129 32.216 31.823 0.441 0.000 1.031 763 V HN 0.253 nan 8.190 nan 0.000 0.479 764 V N 9.437 129.429 119.914 0.131 0.000 2.427 764 V HA 0.198 4.321 4.120 0.004 0.000 0.268 764 V C -1.553 174.495 176.094 -0.076 0.000 1.046 764 V CA -1.383 60.859 62.300 -0.096 0.000 0.970 764 V CB 1.064 32.581 31.823 -0.510 0.000 1.001 764 V HN 0.723 nan 8.190 nan 0.000 0.476 765 P HA 0.097 nan 4.420 nan 0.000 0.271 765 P C 0.794 177.989 177.300 -0.176 0.000 1.218 765 P CA -0.330 62.609 63.100 -0.268 0.000 0.780 765 P CB 0.794 32.378 31.700 -0.193 0.000 0.901 766 M N 1.285 120.774 119.600 -0.186 0.000 2.195 766 M HA -0.139 4.344 4.480 0.004 0.000 0.260 766 M C 1.245 177.540 176.300 -0.007 0.000 1.066 766 M CA 1.701 56.945 55.300 -0.093 0.000 1.089 766 M CB -1.733 30.879 32.600 0.020 0.000 1.377 766 M HN 0.371 nan 8.290 nan 0.000 0.411 767 D N 0.415 120.828 120.400 0.022 0.000 2.149 767 D HA -0.080 4.562 4.640 0.004 0.000 0.198 767 D C 1.923 178.260 176.300 0.061 0.000 0.990 767 D CA 1.615 55.657 54.000 0.069 0.000 0.839 767 D CB -0.085 40.765 40.800 0.084 0.000 0.948 767 D HN 0.384 nan 8.370 nan 0.000 0.460 768 A N 0.089 122.928 122.820 0.032 0.000 2.066 768 A HA -0.022 4.300 4.320 0.004 0.000 0.218 768 A C 2.225 179.921 177.584 0.186 0.000 1.157 768 A CA 0.587 52.667 52.037 0.071 0.000 0.670 768 A CB -0.341 18.657 19.000 -0.003 0.000 0.804 768 A HN 0.215 nan 8.150 nan 0.000 0.453 769 L N -1.149 120.150 121.223 0.127 0.000 2.477 769 L HA 0.019 4.361 4.340 0.004 0.000 0.220 769 L C 2.174 179.276 176.870 0.388 0.000 1.106 769 L CA -0.115 54.871 54.840 0.245 0.000 0.851 769 L CB -0.292 41.666 42.059 -0.168 0.000 0.994 769 L HN 0.215 nan 8.230 nan 0.000 0.462 770 M N 0.255 120.003 119.600 0.247 0.000 2.144 770 M HA -0.129 4.353 4.480 0.004 0.000 0.260 770 M C -0.305 176.029 176.300 0.057 0.000 1.067 770 M CA 1.846 57.282 55.300 0.226 0.000 1.095 770 M CB -2.082 30.599 32.600 0.136 0.000 1.365 770 M HN 0.030 nan 8.290 nan 0.000 0.406 771 P HA -0.084 nan 4.420 nan 0.000 0.230 771 P C 0.653 177.577 177.300 -0.627 0.000 1.158 771 P CA 1.043 63.872 63.100 -0.452 0.000 0.769 771 P CB -0.193 31.092 31.700 -0.692 0.000 0.807 772 F N -2.403 117.637 119.950 0.150 0.000 2.647 772 F HA 0.173 4.703 4.527 0.005 0.000 0.300 772 F C 1.008 176.872 175.800 0.105 0.000 1.106 772 F CA -0.493 57.590 58.000 0.138 0.000 1.313 772 F CB -0.081 39.028 39.000 0.181 0.000 1.007 772 F HN -0.297 nan 8.300 nan 0.000 0.536 773 V N 2.453 122.402 119.914 0.058 0.000 2.775 773 V HA 0.529 4.652 4.120 0.004 0.000 0.299 773 V C -0.033 175.934 176.094 -0.211 0.000 1.062 773 V CA -0.361 61.743 62.300 -0.327 0.000 1.063 773 V CB 1.442 32.998 31.823 -0.445 0.000 0.994 773 V HN 0.056 nan 8.190 nan 0.000 0.483 774 V N 4.105 123.858 119.914 -0.267 0.000 3.130 774 V HA 0.761 4.884 4.120 0.004 0.000 0.310 774 V C -2.757 173.229 176.094 -0.180 0.000 1.158 774 V CA -2.244 59.960 62.300 -0.160 0.000 1.029 774 V CB 1.880 33.642 31.823 -0.101 0.000 1.057 774 V HN 0.761 nan 8.190 nan 0.000 0.436 775 P HA 0.148 nan 4.420 nan 0.000 0.269 775 P C -0.662 176.560 177.300 -0.130 0.000 1.209 775 P CA -0.002 63.025 63.100 -0.123 0.000 0.776 775 P CB 0.315 31.958 31.700 -0.095 0.000 0.876 776 N N 2.202 120.823 118.700 -0.133 0.000 2.453 776 N HA 0.177 4.920 4.740 0.004 0.000 0.253 776 N C -2.047 173.369 175.510 -0.158 0.000 1.252 776 N CA -0.900 52.063 53.050 -0.146 0.000 0.917 776 N CB -1.088 37.315 38.487 -0.140 0.000 1.117 776 N HN 0.323 nan 8.380 nan 0.000 0.442 777 P HA 0.034 nan 4.420 nan 0.000 0.268 777 P C 0.097 177.249 177.300 -0.247 0.000 1.205 777 P CA -0.029 62.958 63.100 -0.188 0.000 0.771 777 P CB 0.650 32.223 31.700 -0.212 0.000 0.858 778 K N 2.946 123.243 120.400 -0.171 0.000 2.401 778 K HA 0.059 4.381 4.320 0.004 0.000 0.278 778 K C -0.391 176.070 176.600 -0.232 0.000 1.018 778 K CA 0.040 56.228 56.287 -0.164 0.000 0.981 778 K CB 0.305 32.754 32.500 -0.086 0.000 0.933 778 K HN 0.440 nan 8.250 nan 0.000 0.477 779 Q N 2.773 122.412 119.800 -0.268 0.000 2.322 779 Q HA 0.221 4.564 4.340 0.004 0.000 0.265 779 Q C -1.473 174.482 176.000 -0.076 0.000 0.985 779 Q CA -0.746 54.879 55.803 -0.297 0.000 0.849 779 Q CB 1.909 30.316 28.738 -0.552 0.000 1.274 779 Q HN 0.491 nan 8.270 nan 0.000 0.449 780 D N 3.066 123.496 120.400 0.050 0.000 2.855 780 D HA 0.304 4.947 4.640 0.004 0.000 0.241 780 D C -2.385 173.949 176.300 0.056 0.000 1.277 780 D CA -1.527 52.497 54.000 0.041 0.000 0.918 780 D CB 1.542 42.360 40.800 0.030 0.000 1.462 780 D HN 0.213 nan 8.370 nan 0.000 0.559 781 P HA 0.138 nan 4.420 nan 0.000 0.270 781 P C -0.372 176.955 177.300 0.045 0.000 1.223 781 P CA -0.477 62.649 63.100 0.044 0.000 0.785 781 P CB 0.774 32.520 31.700 0.077 0.000 0.923 782 K N 1.950 122.382 120.400 0.054 0.000 2.401 782 K HA 0.195 4.518 4.320 0.004 0.000 0.278 782 K C -2.010 174.643 176.600 0.089 0.000 1.018 782 K CA -1.229 55.081 56.287 0.038 0.000 0.981 782 K CB -0.314 32.207 32.500 0.036 0.000 0.933 782 K HN 0.300 nan 8.250 nan 0.000 0.477 783 P HA 0.042 nan 4.420 nan 0.000 0.272 783 P C -0.576 176.785 177.300 0.103 0.000 1.230 783 P CA -0.311 62.868 63.100 0.131 0.000 0.788 783 P CB 0.484 32.245 31.700 0.102 0.000 0.949 784 L N 3.380 124.672 121.223 0.115 0.000 2.483 784 L HA 0.038 4.381 4.340 0.004 0.000 0.275 784 L C -1.069 175.857 176.870 0.093 0.000 1.220 784 L CA -1.106 53.819 54.840 0.143 0.000 0.833 784 L CB -0.064 42.157 42.059 0.269 0.000 1.102 784 L HN 0.388 nan 8.230 nan 0.000 0.490 785 P HA -0.276 nan 4.420 nan 0.000 0.218 785 P C 1.238 178.617 177.300 0.130 0.000 1.154 785 P CA 1.731 64.902 63.100 0.119 0.000 0.872 785 P CB -0.107 31.669 31.700 0.126 0.000 0.790 786 Y N -1.554 118.783 120.300 0.062 0.000 2.483 786 Y HA -0.012 4.541 4.550 0.004 0.000 0.291 786 Y C 1.486 177.426 175.900 0.067 0.000 1.143 786 Y CA 0.845 58.977 58.100 0.053 0.000 1.289 786 Y CB -1.227 37.261 38.460 0.047 0.000 0.983 786 Y HN -0.094 nan 8.280 nan 0.000 0.556 787 L N -0.027 120.931 121.223 -0.442 0.000 2.728 787 L HA 0.222 4.565 4.340 0.004 0.000 0.238 787 L C 0.216 177.042 176.870 -0.072 0.000 1.143 787 L CA -0.456 54.181 54.840 -0.338 0.000 0.937 787 L CB 0.465 42.251 42.059 -0.454 0.000 1.225 787 L HN 0.297 nan 8.230 nan 0.000 0.507 788 C N 0.637 119.927 119.300 -0.016 0.000 2.347 788 C HA 0.580 5.043 4.460 0.004 0.000 0.353 788 C C -0.304 174.766 174.990 0.133 0.000 1.273 788 C CA -0.124 58.919 59.018 0.042 0.000 1.861 788 C CB -0.595 27.170 27.740 0.041 0.000 2.420 788 C HN 0.388 nan 8.230 nan 0.000 0.542 789 H N 1.950 121.003 119.070 -0.028 0.000 3.029 789 H HA 0.318 4.876 4.556 0.004 0.000 0.358 789 H C 0.545 175.852 175.328 -0.035 0.000 1.129 789 H CA 0.178 56.212 56.048 -0.024 0.000 1.230 789 H CB 2.057 31.806 29.762 -0.022 0.000 1.827 789 H HN 0.582 nan 8.280 nan 0.000 0.530 790 S N 2.177 117.641 115.700 -0.394 0.000 2.478 790 S HA -0.030 4.442 4.470 0.004 0.000 0.222 790 S C 0.886 175.282 174.600 -0.339 0.000 1.008 790 S CA -0.068 57.953 58.200 -0.298 0.000 0.928 790 S CB -0.029 63.039 63.200 -0.219 0.000 0.781 790 S HN 0.671 nan 8.310 nan 0.000 0.518 791 Q N 3.977 123.422 119.800 -0.591 0.000 2.262 791 Q HA 0.087 4.430 4.340 0.004 0.000 0.298 791 Q C -2.355 173.583 176.000 -0.103 0.000 1.083 791 Q CA -1.604 54.014 55.803 -0.308 0.000 0.962 791 Q CB 0.391 28.974 28.738 -0.258 0.000 1.104 791 Q HN 0.240 nan 8.270 nan 0.000 0.376 792 P HA -0.066 nan 4.420 nan 0.000 0.271 792 P C -1.277 176.017 177.300 -0.010 0.000 1.220 792 P CA 0.378 63.429 63.100 -0.081 0.000 0.768 792 P CB 0.277 31.901 31.700 -0.126 0.000 0.848 793 Y N 0.971 121.126 120.300 -0.243 0.000 2.909 793 Y HA 0.179 4.731 4.550 0.004 0.000 0.239 793 Y C -0.425 175.267 175.900 -0.346 0.000 1.023 793 Y CA -0.018 57.926 58.100 -0.260 0.000 1.124 793 Y CB 0.499 38.971 38.460 0.019 0.000 1.226 793 Y HN 0.163 nan 8.280 nan 0.000 0.652 794 T N 1.474 115.713 114.554 -0.524 0.000 2.823 794 T HA 0.569 4.922 4.350 0.004 0.000 0.279 794 T C -1.056 173.290 174.700 -0.590 0.000 0.998 794 T CA -0.160 61.728 62.100 -0.352 0.000 0.994 794 T CB 0.936 69.673 68.868 -0.217 0.000 0.960 794 T HN 0.012 nan 8.240 nan 0.000 0.448 795 F N 1.220 121.201 119.950 0.052 0.000 2.532 795 F HA 0.366 4.896 4.527 0.006 0.000 0.321 795 F C 0.405 176.296 175.800 0.150 0.000 1.089 795 F CA -1.306 56.783 58.000 0.147 0.000 0.926 795 F CB 1.288 40.433 39.000 0.241 0.000 1.168 795 F HN 0.369 nan 8.300 nan 0.000 0.459 796 D N 3.997 124.574 120.400 0.295 0.000 2.453 796 D HA 0.322 4.965 4.640 0.004 0.000 0.223 796 D C -0.704 175.686 176.300 0.150 0.000 1.183 796 D CA 0.230 54.334 54.000 0.173 0.000 0.933 796 D CB -0.096 40.794 40.800 0.148 0.000 1.038 796 D HN 0.380 nan 8.370 nan 0.000 0.513 797 I N 2.931 123.589 120.570 0.146 0.000 2.410 797 I HA 0.222 4.395 4.170 0.004 0.000 0.286 797 I C 0.101 176.240 176.117 0.036 0.000 1.009 797 I CA -0.938 60.403 61.300 0.068 0.000 1.111 797 I CB 1.487 39.523 38.000 0.059 0.000 1.262 797 I HN 0.028 nan 8.210 nan 0.000 0.443 798 N N 7.743 126.453 118.700 0.017 0.000 2.458 798 N HA 0.440 5.183 4.740 0.004 0.000 0.270 798 N C -0.851 174.683 175.510 0.039 0.000 1.102 798 N CA -0.149 52.918 53.050 0.029 0.000 0.967 798 N CB 1.763 40.266 38.487 0.027 0.000 1.078 798 N HN 0.410 nan 8.380 nan 0.000 0.471 799 L N 1.281 122.522 121.223 0.029 0.000 2.334 799 L HA 0.457 4.799 4.340 0.004 0.000 0.276 799 L C 0.076 176.966 176.870 0.035 0.000 1.014 799 L CA -0.542 54.303 54.840 0.009 0.000 0.815 799 L CB 1.709 43.764 42.059 -0.006 0.000 1.268 799 L HN 0.330 nan 8.230 nan 0.000 0.428 800 S N 1.462 117.182 115.700 0.034 0.000 2.538 800 S HA 0.679 5.152 4.470 0.004 0.000 0.288 800 S C -0.752 173.862 174.600 0.024 0.000 1.108 800 S CA -0.606 57.616 58.200 0.037 0.000 0.971 800 S CB 2.374 65.607 63.200 0.054 0.000 1.041 800 S HN 0.236 nan 8.310 nan 0.000 0.483 801 V N 3.035 122.962 119.914 0.022 0.000 2.487 801 V HA 0.714 4.837 4.120 0.004 0.000 0.298 801 V C -0.130 175.978 176.094 0.024 0.000 1.028 801 V CA -0.652 61.657 62.300 0.014 0.000 0.860 801 V CB 1.603 33.430 31.823 0.007 0.000 0.991 801 V HN 0.974 nan 8.190 nan 0.000 0.427 802 S N 5.230 120.948 115.700 0.031 0.000 2.566 802 S HA 0.884 5.357 4.470 0.004 0.000 0.298 802 S C -0.992 173.637 174.600 0.049 0.000 1.083 802 S CA -0.767 57.455 58.200 0.037 0.000 0.978 802 S CB 2.184 65.408 63.200 0.040 0.000 1.073 802 S HN 0.691 nan 8.310 nan 0.000 0.491 803 L N 1.499 122.752 121.223 0.050 0.000 2.385 803 L HA 0.674 5.017 4.340 0.004 0.000 0.273 803 L C -0.967 175.938 176.870 0.059 0.000 0.990 803 L CA -0.489 54.390 54.840 0.065 0.000 0.821 803 L CB 1.732 43.829 42.059 0.064 0.000 1.279 803 L HN 0.923 nan 8.230 nan 0.000 0.412 804 K N 3.879 124.320 120.400 0.069 0.000 2.535 804 K HA 0.539 4.861 4.320 0.004 0.000 0.253 804 K C -0.224 176.412 176.600 0.060 0.000 0.953 804 K CA -0.547 55.774 56.287 0.058 0.000 0.863 804 K CB 1.538 34.072 32.500 0.056 0.000 1.111 804 K HN 0.779 nan 8.250 nan 0.000 0.431 805 G N 2.002 110.833 108.800 0.052 0.000 2.606 805 G HA2 -0.014 3.948 3.960 0.004 0.000 0.252 805 G HA3 -0.014 3.948 3.960 0.004 0.000 0.252 805 G C 0.658 175.583 174.900 0.042 0.000 1.206 805 G CA -0.347 44.783 45.100 0.049 0.000 0.861 805 G HN 0.886 nan 8.290 nan 0.000 0.561 806 E N -0.244 119.979 120.200 0.038 0.000 2.265 806 E HA -0.047 4.305 4.350 0.004 0.000 0.196 806 E C 1.754 178.370 176.600 0.027 0.000 0.996 806 E CA 1.026 57.444 56.400 0.031 0.000 0.832 806 E CB -0.079 29.637 29.700 0.027 0.000 0.756 806 E HN 0.475 nan 8.360 nan 0.000 0.491 807 G N 0.413 109.228 108.800 0.026 0.000 3.020 807 G HA2 0.200 4.162 3.960 0.004 0.000 0.217 807 G HA3 0.200 4.162 3.960 0.004 0.000 0.217 807 G C 0.484 175.397 174.900 0.022 0.000 1.144 807 G CA -0.468 44.645 45.100 0.022 0.000 0.760 807 G HN 0.039 nan 8.290 nan 0.000 0.548 808 M N 1.338 120.953 119.600 0.026 0.000 2.250 808 M HA 0.211 4.694 4.480 0.004 0.000 0.344 808 M C 1.648 177.963 176.300 0.024 0.000 1.150 808 M CA -0.285 55.030 55.300 0.025 0.000 1.147 808 M CB 1.837 34.454 32.600 0.028 0.000 1.498 808 M HN 0.133 nan 8.290 nan 0.000 0.461 809 S N 0.608 116.321 115.700 0.021 0.000 2.456 809 S HA 0.040 4.512 4.470 0.004 0.000 0.224 809 S C 0.513 175.126 174.600 0.022 0.000 1.035 809 S CA 0.019 58.231 58.200 0.020 0.000 0.940 809 S CB 0.145 63.355 63.200 0.016 0.000 0.799 809 S HN 0.786 nan 8.310 nan 0.000 0.508 810 Q N 0.331 120.144 119.800 0.021 0.000 2.394 810 Q HA 0.711 5.054 4.340 0.004 0.000 0.273 810 Q C -1.347 174.668 176.000 0.025 0.000 1.089 810 Q CA -0.888 54.928 55.803 0.022 0.000 0.812 810 Q CB 2.092 30.840 28.738 0.017 0.000 1.353 810 Q HN 0.416 nan 8.270 nan 0.000 0.438 811 A N 1.534 124.371 122.820 0.028 0.000 2.340 811 A HA 0.718 5.041 4.320 0.004 0.000 0.268 811 A C -0.696 176.904 177.584 0.026 0.000 1.100 811 A CA 0.081 52.138 52.037 0.033 0.000 0.803 811 A CB 0.681 19.705 19.000 0.039 0.000 1.043 811 A HN 0.709 nan 8.150 nan 0.000 0.488 812 A N 1.577 124.413 122.820 0.027 0.000 2.304 812 A HA 0.636 4.959 4.320 0.004 0.000 0.323 812 A C 0.242 177.838 177.584 0.021 0.000 1.195 812 A CA -0.401 51.648 52.037 0.020 0.000 0.826 812 A CB 0.336 19.347 19.000 0.019 0.000 1.184 812 A HN 0.778 nan 8.150 nan 0.000 0.496 813 T N 3.042 117.605 114.554 0.015 0.000 2.737 813 T HA 0.320 4.673 4.350 0.004 0.000 0.296 813 T C 1.309 176.016 174.700 0.011 0.000 0.922 813 T CA 0.277 62.386 62.100 0.014 0.000 1.079 813 T CB -0.167 68.706 68.868 0.009 0.000 0.892 813 T HN 0.603 nan 8.240 nan 0.000 0.514 814 I N -0.212 120.368 120.570 0.016 0.000 4.057 814 I HA 0.485 4.658 4.170 0.004 0.000 0.334 814 I C 0.527 176.652 176.117 0.015 0.000 1.308 814 I CA -0.381 60.927 61.300 0.013 0.000 1.125 814 I CB 0.486 38.498 38.000 0.020 0.000 1.034 814 I HN 0.499 nan 8.210 nan 0.000 0.401 815 C N 1.701 121.013 119.300 0.020 0.000 3.006 815 C HA 0.582 5.045 4.460 0.004 0.000 0.359 815 C C -1.168 173.841 174.990 0.031 0.000 1.103 815 C CA -0.410 58.626 59.018 0.030 0.000 1.286 815 C CB 1.811 29.584 27.740 0.054 0.000 1.694 815 C HN 0.490 nan 8.230 nan 0.000 0.511 816 R N 4.006 124.525 120.500 0.033 0.000 2.473 816 R HA 0.663 5.005 4.340 0.004 0.000 0.303 816 R C -0.636 175.706 176.300 0.071 0.000 1.002 816 R CA -0.090 56.034 56.100 0.039 0.000 0.884 816 R CB 2.064 32.376 30.300 0.021 0.000 1.173 816 R HN 0.769 nan 8.270 nan 0.000 0.464 817 S N 1.377 117.132 115.700 0.092 0.000 2.900 817 S HA 0.554 5.027 4.470 0.004 0.000 0.320 817 S C -1.454 173.211 174.600 0.107 0.000 1.130 817 S CA -0.727 57.565 58.200 0.154 0.000 0.863 817 S CB 1.680 64.995 63.200 0.192 0.000 1.295 817 S HN 0.597 nan 8.310 nan 0.000 0.596 818 N N 0.192 118.949 118.700 0.096 0.000 2.371 818 N HA 0.282 5.025 4.740 0.004 0.000 0.280 818 N C -0.585 174.932 175.510 0.010 0.000 1.084 818 N CA -0.402 52.628 53.050 -0.032 0.000 0.892 818 N CB 1.291 39.638 38.487 -0.233 0.000 1.653 818 N HN 0.524 nan 8.380 nan 0.000 0.480 819 F N 3.589 123.504 119.950 -0.059 0.000 2.333 819 F HA 0.001 4.531 4.527 0.005 0.000 0.300 819 F C 2.134 177.947 175.800 0.023 0.000 1.083 819 F CA 1.334 59.343 58.000 0.015 0.000 1.395 819 F CB 0.204 39.228 39.000 0.041 0.000 1.056 819 F HN 0.626 nan 8.300 nan 0.000 0.529 820 K N -1.073 119.250 120.400 -0.129 0.000 2.555 820 K HA -0.133 4.189 4.320 0.004 0.000 0.193 820 K C 0.813 177.325 176.600 -0.147 0.000 1.032 820 K CA 1.473 57.648 56.287 -0.188 0.000 1.004 820 K CB -0.929 31.489 32.500 -0.138 0.000 0.804 820 K HN 0.423 nan 8.250 nan 0.000 0.496 821 H N 0.054 119.106 119.070 -0.029 0.000 2.533 821 H HA 0.166 4.725 4.556 0.004 0.000 0.271 821 H C -0.017 175.323 175.328 0.020 0.000 1.000 821 H CA -0.762 55.296 56.048 0.017 0.000 1.149 821 H CB 0.264 30.069 29.762 0.072 0.000 1.375 821 H HN 0.102 nan 8.280 nan 0.000 0.582 822 M N 0.214 119.820 119.600 0.011 0.000 2.217 822 M HA -0.049 4.433 4.480 0.004 0.000 0.354 822 M C 0.813 177.153 176.300 0.066 0.000 1.225 822 M CA 0.133 55.453 55.300 0.034 0.000 1.137 822 M CB 0.317 32.816 32.600 -0.168 0.000 1.576 822 M HN 0.223 nan 8.290 nan 0.000 0.461 823 Y N 1.738 122.050 120.300 0.019 0.000 2.269 823 Y HA 0.010 4.562 4.550 0.004 0.000 0.294 823 Y C -0.128 175.539 175.900 -0.388 0.000 1.120 823 Y CA 1.103 59.102 58.100 -0.169 0.000 1.159 823 Y CB 0.426 38.832 38.460 -0.091 0.000 1.024 823 Y HN 0.597 nan 8.280 nan 0.000 0.532 824 W N 1.265 122.568 121.300 0.006 0.000 2.433 824 W HA 0.389 5.052 4.660 0.005 0.000 0.315 824 W C 0.288 176.751 176.519 -0.094 0.000 1.087 824 W CA -0.779 56.495 57.345 -0.119 0.000 1.205 824 W CB 0.829 30.200 29.460 -0.148 0.000 1.288 824 W HN -0.129 nan 8.180 nan 0.000 0.504 825 T N -0.328 114.306 114.554 0.133 0.000 2.816 825 T HA 0.226 4.578 4.350 0.004 0.000 0.282 825 T C 0.990 175.783 174.700 0.154 0.000 0.993 825 T CA -0.542 61.634 62.100 0.127 0.000 0.994 825 T CB 0.904 69.848 68.868 0.127 0.000 1.025 825 T HN 0.533 nan 8.240 nan 0.000 0.529 826 M N 0.409 120.145 119.600 0.226 0.000 2.213 826 M HA 0.016 4.499 4.480 0.004 0.000 0.263 826 M C 2.080 178.380 176.300 0.001 0.000 1.062 826 M CA 1.365 56.738 55.300 0.122 0.000 1.105 826 M CB -0.691 31.876 32.600 -0.056 0.000 1.385 826 M HN 0.576 nan 8.290 nan 0.000 0.417 827 L N -0.355 120.851 121.223 -0.028 0.000 2.027 827 L HA -0.225 4.118 4.340 0.004 0.000 0.206 827 L C 2.485 179.356 176.870 0.002 0.000 1.074 827 L CA 1.445 56.230 54.840 -0.092 0.000 0.745 827 L CB -0.782 41.183 42.059 -0.156 0.000 0.898 827 L HN 0.378 nan 8.230 nan 0.000 0.433 828 Q N -0.369 119.451 119.800 0.033 0.000 2.119 828 Q HA -0.228 4.115 4.340 0.004 0.000 0.201 828 Q C 2.267 178.257 176.000 -0.017 0.000 0.972 828 Q CA 1.327 57.149 55.803 0.032 0.000 0.847 828 Q CB -0.083 28.739 28.738 0.140 0.000 0.903 828 Q HN 0.561 nan 8.270 nan 0.000 0.433 829 Q N 0.278 120.026 119.800 -0.087 0.000 2.050 829 Q HA -0.166 4.177 4.340 0.004 0.000 0.202 829 Q C 2.130 178.181 176.000 0.085 0.000 0.980 829 Q CA 1.090 56.703 55.803 -0.317 0.000 0.840 829 Q CB -0.118 28.222 28.738 -0.664 0.000 0.898 829 Q HN 0.260 nan 8.270 nan 0.000 0.424 830 L N 0.180 121.534 121.223 0.218 0.000 2.056 830 L HA -0.153 4.190 4.340 0.004 0.000 0.207 830 L C 2.169 179.168 176.870 0.215 0.000 1.078 830 L CA 1.702 56.721 54.840 0.297 0.000 0.749 830 L CB -0.486 41.743 42.059 0.282 0.000 0.901 830 L HN 0.140 nan 8.230 nan 0.000 0.433 831 T N -1.958 112.691 114.554 0.158 0.000 2.708 831 T HA -0.257 4.096 4.350 0.004 0.000 0.266 831 T C 1.782 176.632 174.700 0.250 0.000 1.037 831 T CA 1.748 63.943 62.100 0.159 0.000 1.146 831 T CB -0.435 68.506 68.868 0.122 0.000 0.865 831 T HN 0.542 nan 8.240 nan 0.000 0.435 832 H N 0.420 119.597 119.070 0.179 0.000 2.353 832 H HA -0.097 4.462 4.556 0.004 0.000 0.300 832 H C 2.254 177.721 175.328 0.231 0.000 1.090 832 H CA 1.730 57.917 56.048 0.232 0.000 1.327 832 H CB -0.322 29.490 29.762 0.083 0.000 1.383 832 H HN 0.302 nan 8.280 nan 0.000 0.508 833 H N -0.347 118.829 119.070 0.177 0.000 2.456 833 H HA -0.054 4.505 4.556 0.004 0.000 0.296 833 H C 1.767 177.109 175.328 0.023 0.000 1.079 833 H CA 1.632 57.757 56.048 0.129 0.000 1.322 833 H CB -0.056 29.869 29.762 0.271 0.000 1.388 833 H HN 0.538 nan 8.280 nan 0.000 0.538 834 S N -1.140 114.662 115.700 0.171 0.000 2.539 834 S HA 0.066 4.539 4.470 0.004 0.000 0.221 834 S C 1.992 176.584 174.600 -0.013 0.000 0.987 834 S CA 0.375 58.608 58.200 0.055 0.000 0.929 834 S CB -0.043 63.157 63.200 -0.001 0.000 0.832 834 S HN 0.110 nan 8.310 nan 0.000 0.492 835 V N 4.083 123.979 119.914 -0.031 0.000 2.568 835 V HA -0.201 3.922 4.120 0.004 0.000 0.253 835 V C 2.001 178.003 176.094 -0.153 0.000 1.072 835 V CA 2.316 64.551 62.300 -0.108 0.000 1.084 835 V CB -0.849 30.862 31.823 -0.186 0.000 0.676 835 V HN 0.846 nan 8.190 nan 0.000 0.469 836 N N -0.050 118.567 118.700 -0.139 0.000 2.398 836 N HA 0.180 4.923 4.740 0.004 0.000 0.188 836 N C 1.262 176.686 175.510 -0.143 0.000 1.122 836 N CA 1.066 54.034 53.050 -0.136 0.000 0.866 836 N CB 0.416 38.834 38.487 -0.115 0.000 0.970 836 N HN 0.597 nan 8.380 nan 0.000 0.462 837 G N -0.449 108.270 108.800 -0.135 0.000 2.176 837 G HA2 -0.280 3.683 3.960 0.004 0.000 0.232 837 G HA3 -0.280 3.683 3.960 0.004 0.000 0.232 837 G C 0.133 174.932 174.900 -0.169 0.000 0.986 837 G CA -0.066 44.922 45.100 -0.188 0.000 0.643 837 G HN 0.667 nan 8.290 nan 0.000 0.522 838 C N 2.880 122.142 119.300 -0.064 0.000 2.596 838 C HA 0.458 4.921 4.460 0.004 0.000 0.414 838 C C 0.987 175.993 174.990 0.028 0.000 1.396 838 C CA -0.160 58.875 59.018 0.029 0.000 1.698 838 C CB -0.702 27.112 27.740 0.123 0.000 2.572 838 C HN 0.649 nan 8.230 nan 0.000 0.604 839 N N 7.135 125.892 118.700 0.094 0.000 2.415 839 N HA 0.245 4.987 4.740 0.004 0.000 0.246 839 N C -0.894 174.623 175.510 0.013 0.000 1.078 839 N CA -0.142 52.952 53.050 0.074 0.000 0.942 839 N CB 0.410 39.001 38.487 0.174 0.000 1.140 839 N HN 0.719 nan 8.380 nan 0.000 0.501 840 L N 2.047 123.245 121.223 -0.041 0.000 2.349 840 L HA 0.362 4.705 4.340 0.004 0.000 0.275 840 L C 0.983 177.852 176.870 -0.002 0.000 1.115 840 L CA -0.398 54.403 54.840 -0.065 0.000 0.820 840 L CB 0.568 42.570 42.059 -0.095 0.000 1.135 840 L HN 0.355 nan 8.230 nan 0.000 0.445 841 R N 2.642 123.152 120.500 0.016 0.000 2.854 841 R HA 0.464 4.806 4.340 0.004 0.000 0.271 841 R C -2.577 173.763 176.300 0.066 0.000 0.996 841 R CA -2.145 53.978 56.100 0.039 0.000 0.961 841 R CB 1.374 31.689 30.300 0.024 0.000 1.182 841 R HN 0.282 nan 8.270 nan 0.000 0.479 842 P HA -0.030 nan 4.420 nan 0.000 0.262 842 P C 0.511 177.843 177.300 0.052 0.000 1.182 842 P CA 1.145 64.282 63.100 0.062 0.000 0.761 842 P CB 0.527 32.235 31.700 0.014 0.000 0.795 843 G N 2.006 110.866 108.800 0.099 0.000 2.213 843 G HA2 -0.193 3.770 3.960 0.004 0.000 0.236 843 G HA3 -0.193 3.770 3.960 0.004 0.000 0.236 843 G C 0.064 175.152 174.900 0.315 0.000 0.991 843 G CA -0.334 44.867 45.100 0.168 0.000 0.629 843 G HN 0.483 nan 8.290 nan 0.000 0.517 844 D N 0.070 120.584 120.400 0.190 0.000 2.423 844 D HA 0.464 5.107 4.640 0.004 0.000 0.238 844 D C 0.232 176.554 176.300 0.037 0.000 1.142 844 D CA 0.186 54.249 54.000 0.104 0.000 0.884 844 D CB 1.407 42.227 40.800 0.033 0.000 1.199 844 D HN 0.302 nan 8.370 nan 0.000 0.438 845 L N 2.534 123.715 121.223 -0.071 0.000 2.333 845 L HA 0.397 4.739 4.340 0.004 0.000 0.280 845 L C -1.584 175.185 176.870 -0.168 0.000 1.004 845 L CA -0.580 54.084 54.840 -0.293 0.000 0.820 845 L CB 1.290 43.127 42.059 -0.370 0.000 1.247 845 L HN 0.174 nan 8.230 nan 0.000 0.416 846 L N 5.378 126.340 121.223 -0.434 0.000 2.319 846 L HA 0.796 5.139 4.340 0.004 0.000 0.281 846 L C -0.000 176.756 176.870 -0.189 0.000 1.005 846 L CA -0.131 54.530 54.840 -0.299 0.000 0.828 846 L CB 1.583 43.327 42.059 -0.526 0.000 1.227 846 L HN 0.723 nan 8.230 nan 0.000 0.415 847 A N 1.566 124.468 122.820 0.135 0.000 2.303 847 A HA 0.567 4.890 4.320 0.004 0.000 0.317 847 A C 1.102 178.916 177.584 0.384 0.000 1.149 847 A CA 0.173 52.338 52.037 0.214 0.000 0.822 847 A CB 0.832 19.984 19.000 0.253 0.000 1.131 847 A HN 0.838 nan 8.150 nan 0.000 0.493 848 S N 1.644 117.571 115.700 0.379 0.000 2.382 848 S HA 0.360 4.832 4.470 0.004 0.000 0.228 848 S C 1.104 175.968 174.600 0.441 0.000 1.027 848 S CA 0.862 59.340 58.200 0.462 0.000 0.991 848 S CB -0.749 62.799 63.200 0.581 0.000 0.823 848 S HN 2.699 nan 8.310 nan 0.000 0.469 849 G N -0.322 108.693 108.800 0.358 0.000 2.515 849 G HA2 0.091 4.054 3.960 0.004 0.000 0.686 849 G HA3 0.091 4.054 3.960 0.004 0.000 0.686 849 G C -0.613 174.400 174.900 0.188 0.000 1.274 849 G CA -0.632 44.671 45.100 0.339 0.000 0.874 849 G HN 0.405 nan 8.290 nan 0.000 0.631 850 T N 0.834 115.380 114.554 -0.015 0.000 2.902 850 T HA 0.369 4.721 4.350 0.004 0.000 0.301 850 T C 1.047 175.703 174.700 -0.074 0.000 1.012 850 T CA 0.515 62.483 62.100 -0.221 0.000 1.151 850 T CB 0.221 68.625 68.868 -0.773 0.000 0.946 850 T HN 0.544 nan 8.240 nan 0.000 0.542 851 I N 3.321 123.929 120.570 0.062 0.000 2.301 851 I HA 0.234 4.407 4.170 0.004 0.000 0.292 851 I C 0.452 176.686 176.117 0.194 0.000 1.046 851 I CA -0.050 61.354 61.300 0.173 0.000 1.282 851 I CB 0.580 38.717 38.000 0.228 0.000 1.409 851 I HN 0.493 nan 8.210 nan 0.000 0.484 852 S N 3.662 119.497 115.700 0.225 0.000 2.521 852 S HA 0.689 5.162 4.470 0.004 0.000 0.295 852 S C 0.261 174.992 174.600 0.218 0.000 1.098 852 S CA -0.700 57.660 58.200 0.267 0.000 0.999 852 S CB 2.009 65.336 63.200 0.212 0.000 1.034 852 S HN 0.760 nan 8.310 nan 0.000 0.483 853 G N 0.912 109.836 108.800 0.206 0.000 2.583 853 G HA2 0.436 4.399 3.960 0.004 0.000 0.280 853 G HA3 0.436 4.399 3.960 0.004 0.000 0.280 853 G C 0.673 175.582 174.900 0.015 0.000 1.376 853 G CA -0.474 44.512 45.100 -0.190 0.000 1.043 853 G HN 0.600 nan 8.290 nan 0.000 0.538 854 S N -0.968 114.662 115.700 -0.117 0.000 2.425 854 S HA 0.024 4.497 4.470 0.004 0.000 0.225 854 S C 0.744 175.368 174.600 0.041 0.000 1.024 854 S CA 0.384 58.601 58.200 0.029 0.000 0.951 854 S CB -0.083 63.088 63.200 -0.049 0.000 0.796 854 S HN 0.653 nan 8.310 nan 0.000 0.498 855 D N 1.447 121.801 120.400 -0.077 0.000 2.389 855 D HA 0.150 4.793 4.640 0.004 0.000 0.247 855 D C -1.894 174.101 176.300 -0.509 0.000 1.128 855 D CA -1.885 52.002 54.000 -0.187 0.000 0.884 855 D CB 1.082 41.807 40.800 -0.125 0.000 1.194 855 D HN -0.085 nan 8.370 nan 0.000 0.441 856 P HA -0.131 nan 4.420 nan 0.000 0.219 856 P C 0.287 177.067 177.300 -0.867 0.000 1.146 856 P CA 1.099 63.435 63.100 -1.274 0.000 0.808 856 P CB 0.151 31.494 31.700 -0.596 0.000 0.779 857 E N -0.947 118.994 120.200 -0.432 0.000 2.482 857 E HA -0.037 4.316 4.350 0.004 0.000 0.196 857 E C 1.203 177.723 176.600 -0.133 0.000 1.047 857 E CA 0.859 57.128 56.400 -0.219 0.000 0.869 857 E CB -0.218 29.404 29.700 -0.129 0.000 0.836 857 E HN 0.330 nan 8.360 nan 0.000 0.520 858 S N -0.274 115.331 115.700 -0.159 0.000 2.568 858 S HA 0.164 4.637 4.470 0.004 0.000 0.232 858 S C 0.225 174.976 174.600 0.252 0.000 0.975 858 S CA -0.692 57.541 58.200 0.054 0.000 0.949 858 S CB -0.286 62.974 63.200 0.100 0.000 0.829 858 S HN 0.057 nan 8.310 nan 0.000 0.479 859 F N 1.812 121.808 119.950 0.076 0.000 2.495 859 F HA 0.367 4.896 4.527 0.004 0.000 0.365 859 F C 1.719 177.576 175.800 0.094 0.000 1.090 859 F CA -0.574 57.488 58.000 0.103 0.000 1.235 859 F CB 0.840 39.913 39.000 0.122 0.000 1.119 859 F HN 0.343 nan 8.300 nan 0.000 0.562 860 G N 1.752 110.721 108.800 0.282 0.000 3.124 860 G HA2 0.134 4.097 3.960 0.004 0.000 0.212 860 G HA3 0.134 4.097 3.960 0.004 0.000 0.212 860 G C -0.069 174.898 174.900 0.112 0.000 1.181 860 G CA 0.149 45.341 45.100 0.153 0.000 0.803 860 G HN 0.561 nan 8.290 nan 0.000 0.529 861 S N -1.898 113.897 115.700 0.158 0.000 2.550 861 S HA 0.449 4.922 4.470 0.004 0.000 0.270 861 S C 0.715 175.384 174.600 0.115 0.000 1.145 861 S CA -0.774 57.505 58.200 0.132 0.000 0.852 861 S CB 1.472 64.778 63.200 0.177 0.000 1.119 861 S HN -0.064 nan 8.310 nan 0.000 0.465 862 M N 1.185 120.826 119.600 0.068 0.000 2.460 862 M HA 0.027 4.510 4.480 0.004 0.000 0.263 862 M C 1.797 177.986 176.300 -0.184 0.000 1.071 862 M CA 0.835 56.098 55.300 -0.061 0.000 1.096 862 M CB -0.540 31.990 32.600 -0.117 0.000 1.408 862 M HN 0.771 nan 8.290 nan 0.000 0.463 863 L N 0.782 122.005 121.223 -0.000 0.000 2.046 863 L HA -0.160 4.182 4.340 0.004 0.000 0.208 863 L C 1.932 178.751 176.870 -0.085 0.000 1.077 863 L CA 2.024 56.884 54.840 0.034 0.000 0.747 863 L CB -0.334 41.842 42.059 0.196 0.000 0.896 863 L HN 0.241 nan 8.230 nan 0.000 0.432 864 E N -0.666 119.530 120.200 -0.005 0.000 2.086 864 E HA -0.108 4.245 4.350 0.004 0.000 0.190 864 E C 2.276 179.109 176.600 0.390 0.000 0.975 864 E CA 1.089 57.530 56.400 0.068 0.000 0.813 864 E CB -0.212 29.494 29.700 0.010 0.000 0.768 864 E HN 0.469 nan 8.360 nan 0.000 0.457 865 L N 1.068 122.464 121.223 0.287 0.000 2.079 865 L HA -0.154 4.188 4.340 0.004 0.000 0.210 865 L C 2.433 179.394 176.870 0.152 0.000 1.081 865 L CA 1.415 56.395 54.840 0.233 0.000 0.752 865 L CB -0.334 41.791 42.059 0.110 0.000 0.896 865 L HN 0.191 nan 8.230 nan 0.000 0.433 866 S N -2.850 112.878 115.700 0.046 0.000 2.556 866 S HA -0.111 4.362 4.470 0.004 0.000 0.216 866 S C 0.598 175.283 174.600 0.142 0.000 0.970 866 S CA -0.699 57.507 58.200 0.009 0.000 0.912 866 S CB -0.230 62.849 63.200 -0.201 0.000 0.790 866 S HN 0.509 nan 8.310 nan 0.000 0.504 867 W N 2.914 124.197 121.300 -0.029 0.000 6.357 867 W HA -0.263 4.400 4.660 0.005 0.000 0.428 867 W C 0.056 176.560 176.519 -0.025 0.000 1.724 867 W CA 1.140 58.472 57.345 -0.022 0.000 1.048 867 W CB -1.596 27.864 29.460 0.000 0.000 2.943 867 W HN 0.673 nan 8.180 nan 0.000 1.407 868 K N 0.337 120.630 120.400 -0.178 0.000 3.071 868 K HA -0.214 4.108 4.320 0.004 0.000 0.265 868 K C 0.981 177.652 176.600 0.118 0.000 1.060 868 K CA 1.686 57.948 56.287 -0.042 0.000 0.767 868 K CB -1.464 30.908 32.500 -0.213 0.000 1.241 868 K HN 1.347 nan 8.250 nan 0.000 0.486 869 G N -1.345 107.500 108.800 0.076 0.000 2.168 869 G HA2 -0.406 3.557 3.960 0.004 0.000 0.263 869 G HA3 -0.406 3.557 3.960 0.004 0.000 0.263 869 G C 0.548 175.507 174.900 0.099 0.000 0.977 869 G CA 1.534 46.696 45.100 0.103 0.000 0.659 869 G HN 0.841 nan 8.290 nan 0.000 0.533 870 T N -2.731 111.896 114.554 0.121 0.000 3.014 870 T HA 0.317 4.670 4.350 0.004 0.000 0.263 870 T C 0.965 175.722 174.700 0.095 0.000 1.078 870 T CA 1.278 63.452 62.100 0.123 0.000 1.135 870 T CB 0.369 69.340 68.868 0.171 0.000 0.895 870 T HN 0.434 nan 8.240 nan 0.000 0.480 871 K N 1.347 121.805 120.400 0.097 0.000 2.292 871 K HA 0.711 5.034 4.320 0.004 0.000 0.257 871 K C -0.870 175.749 176.600 0.031 0.000 0.940 871 K CA -0.789 55.534 56.287 0.061 0.000 0.811 871 K CB 2.103 34.645 32.500 0.070 0.000 1.120 871 K HN 0.270 nan 8.250 nan 0.000 0.428 872 A N 3.870 126.701 122.820 0.018 0.000 2.363 872 A HA 0.360 4.682 4.320 0.004 0.000 0.270 872 A C -0.042 177.542 177.584 -0.000 0.000 1.121 872 A CA -0.450 51.591 52.037 0.006 0.000 0.800 872 A CB -0.069 18.938 19.000 0.011 0.000 1.052 872 A HN 0.728 nan 8.150 nan 0.000 0.493 873 I N 2.099 122.664 120.570 -0.009 0.000 2.312 873 I HA 0.106 4.279 4.170 0.004 0.000 0.291 873 I C -0.132 175.984 176.117 -0.002 0.000 1.031 873 I CA -0.343 60.952 61.300 -0.008 0.000 1.293 873 I CB 1.207 39.198 38.000 -0.015 0.000 1.403 873 I HN 0.698 nan 8.210 nan 0.000 0.484 874 D N 6.178 126.576 120.400 -0.003 0.000 2.358 874 D HA 0.106 4.748 4.640 0.004 0.000 0.258 874 D C 0.399 176.701 176.300 0.003 0.000 1.223 874 D CA -0.015 53.986 54.000 0.000 0.000 0.886 874 D CB 1.178 41.975 40.800 -0.004 0.000 1.120 874 D HN 0.260 nan 8.370 nan 0.000 0.482 875 V N 3.419 123.338 119.914 0.009 0.000 3.376 875 V HA 0.433 4.556 4.120 0.004 0.000 0.313 875 V C 1.094 177.196 176.094 0.013 0.000 1.393 875 V CA 0.337 62.645 62.300 0.014 0.000 1.125 875 V CB -0.821 31.014 31.823 0.021 0.000 1.037 875 V HN 0.948 nan 8.190 nan 0.000 0.440 876 G N 1.612 110.417 108.800 0.009 0.000 2.781 876 G HA2 -0.155 3.807 3.960 0.004 0.000 0.683 876 G HA3 -0.155 3.807 3.960 0.004 0.000 0.683 876 G C 0.115 175.020 174.900 0.010 0.000 1.390 876 G CA -0.101 45.003 45.100 0.008 0.000 0.850 876 G HN 1.178 nan 8.290 nan 0.000 0.557 877 Q N -1.700 118.105 119.800 0.008 0.000 2.423 877 Q HA -0.033 4.309 4.340 0.004 0.000 0.332 877 Q C 1.508 177.514 176.000 0.010 0.000 1.355 877 Q CA 1.985 57.794 55.803 0.009 0.000 0.947 877 Q CB -2.071 26.673 28.738 0.011 0.000 1.189 877 Q HN 2.955 nan 8.270 nan 0.000 0.418 878 G N -0.904 107.901 108.800 0.008 0.000 2.175 878 G HA2 -0.368 3.595 3.960 0.004 0.000 0.265 878 G HA3 -0.368 3.595 3.960 0.004 0.000 0.265 878 G C 0.014 174.921 174.900 0.011 0.000 0.979 878 G CA 0.791 45.896 45.100 0.009 0.000 0.663 878 G HN 0.621 nan 8.290 nan 0.000 0.533 879 Q N 0.131 119.939 119.800 0.013 0.000 2.226 879 Q HA 0.654 4.996 4.340 0.004 0.000 0.256 879 Q C 0.343 176.353 176.000 0.016 0.000 0.962 879 Q CA 0.214 56.027 55.803 0.017 0.000 0.887 879 Q CB 1.884 30.634 28.738 0.020 0.000 1.282 879 Q HN 0.550 nan 8.270 nan 0.000 0.449 880 T N -1.001 113.564 114.554 0.019 0.000 2.838 880 T HA 0.767 5.120 4.350 0.004 0.000 0.292 880 T C -0.648 174.065 174.700 0.021 0.000 1.113 880 T CA -1.053 61.057 62.100 0.016 0.000 1.008 880 T CB 2.085 70.961 68.868 0.014 0.000 1.259 880 T HN 0.386 nan 8.240 nan 0.000 0.520 881 R N -0.297 120.211 120.500 0.012 0.000 2.680 881 R HA 0.638 4.980 4.340 0.004 0.000 0.269 881 R C 0.285 176.567 176.300 -0.029 0.000 1.026 881 R CA -0.304 55.803 56.100 0.012 0.000 0.889 881 R CB 1.604 31.914 30.300 0.017 0.000 1.241 881 R HN 1.056 nan 8.270 nan 0.000 0.463 882 T N -2.612 111.915 114.554 -0.045 0.000 3.138 882 T HA 0.399 4.752 4.350 0.004 0.000 0.245 882 T C 0.553 174.961 174.700 -0.488 0.000 0.982 882 T CA 0.316 62.298 62.100 -0.197 0.000 1.134 882 T CB 0.221 69.068 68.868 -0.035 0.000 1.032 882 T HN 0.286 nan 8.240 nan 0.000 0.442 883 F N 0.411 120.401 119.950 0.066 0.000 2.679 883 F HA 0.664 5.193 4.527 0.004 0.000 0.341 883 F C -0.481 175.369 175.800 0.083 0.000 1.095 883 F CA -1.641 56.405 58.000 0.077 0.000 1.004 883 F CB 1.308 40.349 39.000 0.069 0.000 1.388 883 F HN -0.045 nan 8.300 nan 0.000 0.505 884 L N 2.444 123.866 121.223 0.332 0.000 2.426 884 L HA 0.263 4.605 4.340 0.004 0.000 0.271 884 L C -0.541 176.430 176.870 0.167 0.000 1.169 884 L CA -0.070 54.907 54.840 0.229 0.000 0.836 884 L CB 0.224 42.447 42.059 0.273 0.000 1.112 884 L HN 0.295 nan 8.230 nan 0.000 0.465 885 L N 1.467 122.764 121.223 0.123 0.000 2.322 885 L HA 0.416 4.759 4.340 0.004 0.000 0.269 885 L C -0.352 176.556 176.870 0.062 0.000 1.012 885 L CA -1.174 53.715 54.840 0.082 0.000 0.815 885 L CB 1.489 43.589 42.059 0.069 0.000 1.295 885 L HN 0.492 nan 8.230 nan 0.000 0.438 886 D N 1.050 121.471 120.400 0.035 0.000 2.443 886 D HA 0.257 4.899 4.640 0.004 0.000 0.239 886 D C 1.036 177.351 176.300 0.025 0.000 1.136 886 D CA 1.382 55.392 54.000 0.017 0.000 0.879 886 D CB 1.183 41.983 40.800 0.001 0.000 1.195 886 D HN 0.822 nan 8.370 nan 0.000 0.443 887 G N 2.083 110.895 108.800 0.020 0.000 2.241 887 G HA2 -0.253 3.710 3.960 0.004 0.000 0.244 887 G HA3 -0.253 3.710 3.960 0.004 0.000 0.244 887 G C 0.116 175.045 174.900 0.047 0.000 0.998 887 G CA -0.085 45.031 45.100 0.027 0.000 0.621 887 G HN 0.533 nan 8.290 nan 0.000 0.519 888 D N 1.232 121.672 120.400 0.066 0.000 2.424 888 D HA 0.447 5.090 4.640 0.004 0.000 0.244 888 D C 0.397 176.770 176.300 0.121 0.000 1.134 888 D CA 0.460 54.517 54.000 0.095 0.000 0.881 888 D CB 1.067 41.941 40.800 0.122 0.000 1.191 888 D HN 0.551 nan 8.370 nan 0.000 0.445 889 E N 1.370 121.645 120.200 0.125 0.000 2.176 889 E HA 0.408 4.761 4.350 0.004 0.000 0.267 889 E C -1.426 175.278 176.600 0.173 0.000 0.893 889 E CA -0.781 55.711 56.400 0.152 0.000 0.761 889 E CB 1.211 30.977 29.700 0.110 0.000 1.133 889 E HN 0.066 nan 8.360 nan 0.000 0.409 890 V N 6.495 126.558 119.914 0.247 0.000 2.398 890 V HA 0.414 4.536 4.120 0.004 0.000 0.286 890 V C -0.072 176.098 176.094 0.126 0.000 1.026 890 V CA -0.528 61.873 62.300 0.169 0.000 0.868 890 V CB 1.216 33.120 31.823 0.135 0.000 0.982 890 V HN 0.635 nan 8.190 nan 0.000 0.443 891 I N 6.143 126.759 120.570 0.076 0.000 2.418 891 I HA 0.515 4.687 4.170 0.004 0.000 0.287 891 I C -0.643 175.493 176.117 0.032 0.000 1.008 891 I CA -0.360 60.979 61.300 0.065 0.000 1.104 891 I CB 1.893 39.937 38.000 0.073 0.000 1.264 891 I HN 0.414 nan 8.210 nan 0.000 0.438 892 I N 5.599 126.176 120.570 0.012 0.000 2.441 892 I HA 0.483 4.656 4.170 0.004 0.000 0.295 892 I C 0.106 176.220 176.117 -0.004 0.000 0.994 892 I CA -0.293 60.998 61.300 -0.014 0.000 1.144 892 I CB 2.148 40.110 38.000 -0.063 0.000 1.314 892 I HN 0.596 nan 8.210 nan 0.000 0.445 893 T N 1.458 116.008 114.554 -0.007 0.000 2.883 893 T HA 0.875 5.228 4.350 0.004 0.000 0.296 893 T C -0.458 174.190 174.700 -0.086 0.000 1.117 893 T CA -0.965 61.120 62.100 -0.026 0.000 1.006 893 T CB 2.217 71.130 68.868 0.075 0.000 1.191 893 T HN 0.837 nan 8.240 nan 0.000 0.508 894 G N 0.435 109.087 108.800 -0.247 0.000 2.746 894 G HA2 0.652 4.614 3.960 0.004 0.000 0.297 894 G HA3 0.652 4.614 3.960 0.004 0.000 0.297 894 G C -2.118 172.582 174.900 -0.334 0.000 1.426 894 G CA -0.767 44.208 45.100 -0.208 0.000 0.989 894 G HN 0.939 nan 8.290 nan 0.000 0.520 895 H N -1.173 117.897 119.070 0.001 0.000 3.012 895 H HA 0.606 5.165 4.556 0.005 0.000 0.367 895 H C -0.960 174.273 175.328 -0.158 0.000 1.211 895 H CA -0.611 55.406 56.048 -0.051 0.000 1.139 895 H CB 1.842 31.543 29.762 -0.101 0.000 1.838 895 H HN 0.647 nan 8.280 nan 0.000 0.550 896 C N 1.697 120.864 119.300 -0.222 0.000 2.345 896 C HA 0.424 4.887 4.460 0.004 0.000 0.323 896 C C -0.164 174.486 174.990 -0.567 0.000 1.276 896 C CA -0.553 58.071 59.018 -0.656 0.000 1.543 896 C CB 0.699 27.502 27.740 -1.562 0.000 2.211 896 C HN 0.700 nan 8.230 nan 0.000 0.493 897 Q N 1.855 121.459 119.800 -0.326 0.000 2.368 897 Q HA 0.593 4.935 4.340 0.004 0.000 0.256 897 Q C 0.148 176.126 176.000 -0.037 0.000 0.980 897 Q CA 0.309 56.005 55.803 -0.178 0.000 0.887 897 Q CB 0.973 29.649 28.738 -0.104 0.000 1.221 897 Q HN 0.945 nan 8.270 nan 0.000 0.458 898 G N 2.023 110.670 108.800 -0.254 0.000 2.753 898 G HA2 0.277 4.240 3.960 0.004 0.000 0.285 898 G HA3 0.277 4.240 3.960 0.004 0.000 0.285 898 G C -0.871 173.861 174.900 -0.280 0.000 1.344 898 G CA -0.750 44.152 45.100 -0.329 0.000 1.050 898 G HN 0.622 nan 8.290 nan 0.000 0.532 899 D N 0.476 120.816 120.400 -0.100 0.000 2.398 899 D HA 0.368 5.010 4.640 0.004 0.000 0.250 899 D C 1.271 177.651 176.300 0.135 0.000 1.287 899 D CA 1.387 55.408 54.000 0.035 0.000 0.992 899 D CB 0.336 41.184 40.800 0.080 0.000 1.071 899 D HN 0.886 nan 8.370 nan 0.000 0.514 900 G N 2.301 111.141 108.800 0.066 0.000 2.132 900 G HA2 -0.259 3.703 3.960 0.004 0.000 0.234 900 G HA3 -0.259 3.703 3.960 0.004 0.000 0.234 900 G C -0.059 174.971 174.900 0.216 0.000 0.989 900 G CA 0.602 45.775 45.100 0.122 0.000 0.676 900 G HN 0.610 nan 8.290 nan 0.000 0.522 901 Y N -2.896 117.422 120.300 0.030 0.000 2.713 901 Y HA 0.822 5.375 4.550 0.004 0.000 0.335 901 Y C -0.682 175.239 175.900 0.036 0.000 1.222 901 Y CA -1.861 56.252 58.100 0.022 0.000 1.061 901 Y CB 0.827 39.304 38.460 0.029 0.000 1.314 901 Y HN 0.177 nan 8.280 nan 0.000 0.453 902 R N 1.044 121.581 120.500 0.061 0.000 2.725 902 R HA 0.753 5.095 4.340 0.004 0.000 0.277 902 R C -2.027 174.289 176.300 0.026 0.000 0.987 902 R CA -1.310 54.752 56.100 -0.063 0.000 0.901 902 R CB 2.829 33.094 30.300 -0.059 0.000 1.207 902 R HN 0.630 nan 8.270 nan 0.000 0.463 903 V N 2.348 122.208 119.914 -0.091 0.000 2.313 903 V HA 0.491 4.614 4.120 0.004 0.000 0.278 903 V C 0.362 176.315 176.094 -0.235 0.000 1.017 903 V CA -0.445 61.780 62.300 -0.124 0.000 0.823 903 V CB 1.347 33.123 31.823 -0.079 0.000 1.010 903 V HN 0.944 nan 8.190 nan 0.000 0.443 904 G N 2.346 110.947 108.800 -0.332 0.000 2.597 904 G HA2 0.615 4.577 3.960 0.004 0.000 0.317 904 G HA3 0.615 4.577 3.960 0.004 0.000 0.317 904 G C -0.481 174.167 174.900 -0.419 0.000 1.230 904 G CA -0.328 44.539 45.100 -0.388 0.000 0.996 904 G HN 0.479 nan 8.290 nan 0.000 0.490 905 F N 0.411 120.184 119.950 -0.295 0.000 2.661 905 F HA 0.386 4.915 4.527 0.003 0.000 0.306 905 F C 1.650 177.528 175.800 0.131 0.000 1.094 905 F CA 0.355 58.334 58.000 -0.034 0.000 1.254 905 F CB 0.469 39.434 39.000 -0.059 0.000 1.040 905 F HN 0.955 nan 8.300 nan 0.000 0.562 906 G N 1.361 110.260 108.800 0.164 0.000 2.512 906 G HA2 -0.207 3.755 3.960 0.004 0.000 0.254 906 G HA3 -0.207 3.755 3.960 0.004 0.000 0.254 906 G C -0.403 174.622 174.900 0.208 0.000 1.199 906 G CA -0.044 45.252 45.100 0.328 0.000 0.941 906 G HN 0.479 nan 8.290 nan 0.000 0.569 907 Q N -1.875 118.065 119.800 0.233 0.000 2.451 907 Q HA 0.613 4.955 4.340 0.004 0.000 0.281 907 Q C -0.821 175.259 176.000 0.132 0.000 1.099 907 Q CA -0.629 55.262 55.803 0.146 0.000 0.806 907 Q CB 2.127 30.940 28.738 0.124 0.000 1.419 907 Q HN 1.349 nan 8.270 nan 0.000 0.427 908 C N 1.868 121.220 119.300 0.086 0.000 2.409 908 C HA 0.892 5.355 4.460 0.004 0.000 0.297 908 C C -0.477 174.561 174.990 0.080 0.000 1.083 908 C CA 0.067 59.127 59.018 0.070 0.000 1.515 908 C CB -0.611 27.138 27.740 0.015 0.000 1.869 908 C HN 0.787 nan 8.230 nan 0.000 0.413 909 A N 3.593 126.486 122.820 0.121 0.000 2.354 909 A HA 1.029 5.352 4.320 0.004 0.000 0.321 909 A C -0.058 177.672 177.584 0.243 0.000 1.125 909 A CA -0.046 52.087 52.037 0.161 0.000 0.799 909 A CB 1.505 20.582 19.000 0.129 0.000 1.293 909 A HN 1.658 nan 8.150 nan 0.000 0.452 910 G N 0.246 109.240 108.800 0.323 0.000 2.733 910 G HA2 0.501 4.464 3.960 0.004 0.000 0.297 910 G HA3 0.501 4.464 3.960 0.004 0.000 0.297 910 G C -1.472 173.564 174.900 0.227 0.000 1.452 910 G CA -0.608 44.687 45.100 0.324 0.000 0.940 910 G HN 0.746 nan 8.290 nan 0.000 0.547 911 K N 1.401 121.831 120.400 0.050 0.000 2.221 911 K HA 0.660 4.983 4.320 0.004 0.000 0.258 911 K C -0.323 176.220 176.600 -0.095 0.000 0.944 911 K CA -0.654 55.646 56.287 0.022 0.000 0.823 911 K CB 2.023 34.537 32.500 0.023 0.000 1.113 911 K HN 0.265 nan 8.250 nan 0.000 0.431 912 V N 5.761 125.635 119.914 -0.068 0.000 2.488 912 V HA 0.211 4.334 4.120 0.004 0.000 0.277 912 V C 0.215 176.268 176.094 -0.067 0.000 1.046 912 V CA -0.463 61.770 62.300 -0.111 0.000 0.986 912 V CB 0.678 32.481 31.823 -0.033 0.000 0.989 912 V HN 0.661 nan 8.190 nan 0.000 0.475 913 L N 6.648 127.819 121.223 -0.086 0.000 2.344 913 L HA 0.514 4.857 4.340 0.004 0.000 0.272 913 L C -2.330 174.506 176.870 -0.056 0.000 1.035 913 L CA -2.024 52.781 54.840 -0.058 0.000 0.807 913 L CB 1.927 43.951 42.059 -0.058 0.000 1.237 913 L HN 0.400 nan 8.230 nan 0.000 0.442 914 P HA 0.057 nan 4.420 nan 0.000 0.269 914 P C -0.627 176.640 177.300 -0.055 0.000 1.215 914 P CA -0.179 62.895 63.100 -0.043 0.000 0.780 914 P CB 0.589 32.271 31.700 -0.029 0.000 0.898 915 A N 2.263 125.043 122.820 -0.067 0.000 2.346 915 A HA 0.135 4.458 4.320 0.004 0.000 0.255 915 A C 1.337 178.889 177.584 -0.053 0.000 1.113 915 A CA -0.026 51.964 52.037 -0.079 0.000 0.798 915 A CB -0.558 18.378 19.000 -0.107 0.000 1.073 915 A HN 0.612 nan 8.150 nan 0.000 0.502 916 L N -0.203 120.993 121.223 -0.045 0.000 2.270 916 L HA 0.256 4.598 4.340 0.004 0.000 0.210 916 L C 1.413 178.275 176.870 -0.012 0.000 1.104 916 L CA 1.210 56.038 54.840 -0.020 0.000 0.804 916 L CB -0.580 41.477 42.059 -0.004 0.000 0.937 916 L HN 0.990 nan 8.230 nan 0.000 0.450 917 S N 0.000 115.686 115.700 -0.023 0.000 2.498 917 S HA 0.000 4.473 4.470 0.004 0.000 0.327 917 S CA 0.000 nan 58.200 nan 0.000 1.107 917 S CB 0.000 nan 63.200 nan 0.000 0.593 917 S HN 0.000 nan 8.310 nan 0.000 0.517