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 3c0z_1_B DATA FIRST_RESID 516 DATA SEQUENCE LPFTTGLIYD SVMLKHQCSC GDNSRHPEHA GRIQSIWSRL QERGLRSQCE DATA SEQUENCE CLRGRKASLE ELQSVHSERH VLLYGTNPLS XXXXXXXXXX XXXXXXXXVM DATA SEQUENCE LPCGGVGVDT DTIWNELHSS NAARWAAGSV TDLAFKVASR ELKNGFAVVR DATA SEQUENCE PPGHHADHST AMGFCFFNSV AIACRQLQQQ SKASKILIVD WDVHHGNGTQ DATA SEQUENCE QTFYQDPSVL YISLHRHDDG NFFPGSGAVD EVGAGSGEGF NVNVAWAGGL DATA SEQUENCE DPPMGDPEYL AAFRIVVMPI AREFSPDLVL VSAGFDAAEG HPAPLGGYHV DATA SEQUENCE SAKCFGYMTQ QLMNLAGGAV VLALEGGHDL TAICDASEAC VAALLGNRVD DATA SEQUENCE PLSEEGWKQK PNLNAIRSLE AVIRVHSKYW GCMQRL 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 516 L HA 0.000 nan 4.340 nan 0.000 0.249 516 L C 0.000 176.935 176.870 0.109 0.000 1.165 516 L CA 0.000 54.893 54.840 0.088 0.000 0.813 516 L CB 0.000 42.113 42.059 0.090 0.000 0.961 517 P HA 0.283 nan 4.420 nan 0.000 0.286 517 P C -0.109 177.289 177.300 0.163 0.000 1.269 517 P CA -0.218 62.959 63.100 0.127 0.000 0.787 517 P CB 0.320 32.076 31.700 0.095 0.000 0.920 518 F N 3.246 123.223 119.950 0.046 0.000 2.461 518 F HA -0.034 7.849 4.527 5.594 0.000 0.387 518 F C 0.199 176.031 175.800 0.053 0.000 1.144 518 F CA 0.487 58.516 58.000 0.048 0.000 1.365 518 F CB -0.459 38.566 39.000 0.041 0.000 1.768 518 F HN 0.252 nan 8.300 nan 0.000 0.672 519 T N -1.663 112.817 114.554 -0.124 0.000 2.678 519 T HA 0.321 8.025 4.350 5.591 0.000 0.260 519 T C 0.240 174.848 174.700 -0.154 0.000 0.932 519 T CA -0.525 61.491 62.100 -0.141 0.000 1.043 519 T CB 1.009 69.863 68.868 -0.023 0.000 1.413 519 T HN 0.148 nan 8.240 nan 0.000 0.568 520 T N -0.384 114.132 114.554 -0.064 0.000 2.884 520 T HA 0.533 8.237 4.350 5.591 0.000 0.298 520 T C 0.463 175.191 174.700 0.048 0.000 0.998 520 T CA -0.461 61.636 62.100 -0.005 0.000 1.124 520 T CB 0.029 68.920 68.868 0.039 0.000 0.931 520 T HN 0.893 nan 8.240 nan 0.000 0.531 521 G N 3.358 112.205 108.800 0.079 0.000 2.389 521 G HA2 0.629 7.943 3.960 5.591 0.000 0.317 521 G HA3 0.629 7.943 3.960 5.591 0.000 0.317 521 G C -0.917 174.098 174.900 0.191 0.000 1.137 521 G CA -0.910 44.264 45.100 0.123 0.000 0.870 521 G HN 0.853 nan 8.290 nan 0.000 0.496 522 L N 1.543 122.910 121.223 0.240 0.000 2.354 522 L HA 0.545 8.239 4.340 5.591 0.000 0.269 522 L C -0.554 176.499 176.870 0.304 0.000 1.005 522 L CA -1.072 53.974 54.840 0.342 0.000 0.819 522 L CB 2.252 44.594 42.059 0.471 0.000 1.311 522 L HN 0.189 nan 8.230 nan 0.000 0.423 523 I N 2.068 122.808 120.570 0.284 0.000 2.465 523 I HA 0.434 7.959 4.170 5.591 0.000 0.291 523 I C -1.299 174.885 176.117 0.111 0.000 1.014 523 I CA -0.476 60.931 61.300 0.179 0.000 1.093 523 I CB 1.900 39.988 38.000 0.147 0.000 1.267 523 I HN 0.539 nan 8.210 nan 0.000 0.431 524 Y N 5.901 126.051 120.300 -0.250 0.000 2.521 524 Y HA 0.459 8.362 4.550 5.587 0.000 0.332 524 Y C -1.774 173.902 175.900 -0.373 0.000 1.121 524 Y CA -0.703 57.086 58.100 -0.519 0.000 1.037 524 Y CB 1.689 39.232 38.460 -1.530 0.000 1.330 524 Y HN 0.571 nan 8.280 nan 0.000 0.452 525 D N 2.341 122.158 120.400 -0.972 0.000 2.886 525 D HA 0.156 8.150 4.640 5.591 0.000 0.216 525 D C 0.212 175.926 176.300 -0.976 0.000 1.256 525 D CA 0.333 53.865 54.000 -0.780 0.000 0.844 525 D CB 2.347 42.867 40.800 -0.465 0.000 1.669 525 D HN 0.664 nan 8.370 nan 0.000 0.513 526 S N 1.381 116.672 115.700 -0.681 0.000 2.402 526 S HA -0.180 7.645 4.470 5.591 0.000 0.233 526 S C 2.062 176.377 174.600 -0.475 0.000 1.030 526 S CA 1.331 59.251 58.200 -0.468 0.000 1.003 526 S CB -0.528 62.524 63.200 -0.246 0.000 0.813 526 S HN 0.402 nan 8.310 nan 0.000 0.477 527 V N 1.933 121.473 119.914 -0.624 0.000 2.546 527 V HA -0.188 7.287 4.120 5.591 0.000 0.254 527 V C 2.434 178.253 176.094 -0.458 0.000 1.076 527 V CA 2.145 64.082 62.300 -0.606 0.000 1.087 527 V CB -0.932 30.329 31.823 -0.936 0.000 0.674 527 V HN 0.542 nan 8.190 nan 0.000 0.470 528 M N -0.988 118.330 119.600 -0.470 0.000 2.562 528 M HA 0.022 7.856 4.480 5.591 0.000 0.257 528 M C 1.806 178.001 176.300 -0.175 0.000 1.099 528 M CA 1.179 56.324 55.300 -0.259 0.000 1.099 528 M CB -0.163 32.308 32.600 -0.216 0.000 1.427 528 M HN 0.307 nan 8.290 nan 0.000 0.489 529 L N -0.171 120.919 121.223 -0.222 0.000 2.291 529 L HA -0.131 7.563 4.340 5.591 0.000 0.214 529 L C 2.172 178.964 176.870 -0.130 0.000 1.120 529 L CA 0.658 55.419 54.840 -0.132 0.000 0.799 529 L CB -0.516 41.474 42.059 -0.115 0.000 0.925 529 L HN 0.189 nan 8.230 nan 0.000 0.446 530 K N -0.689 119.592 120.400 -0.200 0.000 2.365 530 K HA -0.109 7.566 4.320 5.591 0.000 0.199 530 K C 0.487 177.003 176.600 -0.140 0.000 1.045 530 K CA 0.283 56.402 56.287 -0.280 0.000 0.962 530 K CB -0.533 31.635 32.500 -0.553 0.000 0.759 530 K HN 0.270 nan 8.250 nan 0.000 0.469 531 H N 2.889 121.863 119.070 -0.160 0.000 3.325 531 H HA 0.015 7.925 4.556 5.590 0.000 0.242 531 H C -0.795 174.472 175.328 -0.103 0.000 1.117 531 H CA 0.552 56.514 56.048 -0.144 0.000 1.470 531 H CB -0.384 29.295 29.762 -0.138 0.000 1.573 531 H HN 0.065 nan 8.280 nan 0.000 0.501 532 Q N 3.424 122.991 119.800 -0.388 0.000 2.386 532 Q HA 0.222 7.916 4.340 5.591 0.000 0.274 532 Q C -0.860 174.966 176.000 -0.290 0.000 1.011 532 Q CA -0.980 54.623 55.803 -0.333 0.000 0.867 532 Q CB 1.403 30.044 28.738 -0.163 0.000 1.409 532 Q HN 0.573 nan 8.270 nan 0.000 0.395 533 C N 1.674 120.782 119.300 -0.321 0.000 2.597 533 C HA 0.017 7.831 4.460 5.591 0.000 0.412 533 C C 2.052 176.962 174.990 -0.134 0.000 1.348 533 C CA 0.918 59.772 59.018 -0.274 0.000 1.769 533 C CB -0.026 27.428 27.740 -0.477 0.000 2.641 533 C HN 1.029 nan 8.230 nan 0.000 0.612 534 S N 2.586 118.232 115.700 -0.090 0.000 2.515 534 S HA -0.142 7.682 4.470 5.591 0.000 0.231 534 S C 1.641 176.231 174.600 -0.018 0.000 0.987 534 S CA 1.099 59.272 58.200 -0.045 0.000 0.936 534 S CB -0.860 62.320 63.200 -0.033 0.000 0.766 534 S HN 1.097 nan 8.310 nan 0.000 0.528 535 C N 0.806 120.105 119.300 -0.003 0.000 2.511 535 C HA 0.556 8.370 4.460 5.591 0.000 0.277 535 C C 2.320 177.331 174.990 0.036 0.000 1.451 535 C CA -0.218 58.822 59.018 0.037 0.000 1.735 535 C CB -1.694 26.105 27.740 0.099 0.000 1.704 535 C HN 0.885 nan 8.230 nan 0.000 0.571 536 G N 0.649 109.459 108.800 0.016 0.000 2.302 536 G HA2 -0.279 7.035 3.960 5.591 0.000 0.263 536 G HA3 -0.279 7.035 3.960 5.591 0.000 0.263 536 G C -0.107 174.807 174.900 0.023 0.000 0.995 536 G CA 0.804 45.909 45.100 0.008 0.000 0.622 536 G HN 0.669 nan 8.290 nan 0.000 0.538 537 D N 0.681 121.121 120.400 0.068 0.000 2.380 537 D HA 0.446 8.440 4.640 5.591 0.000 0.230 537 D C 1.242 177.562 176.300 0.032 0.000 1.154 537 D CA -0.603 53.418 54.000 0.034 0.000 0.859 537 D CB 0.277 41.082 40.800 0.008 0.000 1.045 537 D HN 0.055 nan 8.370 nan 0.000 0.495 538 N N 1.033 119.708 118.700 -0.042 0.000 2.494 538 N HA -0.044 8.051 4.740 5.591 0.000 0.182 538 N C 0.800 176.223 175.510 -0.145 0.000 1.076 538 N CA 0.325 53.314 53.050 -0.102 0.000 0.908 538 N CB 0.345 38.682 38.487 -0.250 0.000 0.967 538 N HN 0.178 nan 8.380 nan 0.000 0.449 539 S N -0.379 115.245 115.700 -0.127 0.000 2.634 539 S HA 0.161 7.986 4.470 5.591 0.000 0.221 539 S C 1.522 176.035 174.600 -0.145 0.000 0.952 539 S CA -0.124 58.008 58.200 -0.113 0.000 0.930 539 S CB 0.716 63.869 63.200 -0.078 0.000 0.780 539 S HN 0.298 nan 8.310 nan 0.000 0.498 540 R N 0.796 121.153 120.500 -0.238 0.000 2.342 540 R HA 0.152 7.847 4.340 5.591 0.000 0.204 540 R C -0.332 175.622 176.300 -0.577 0.000 0.882 540 R CA 0.236 56.085 56.100 -0.419 0.000 1.041 540 R CB 0.437 30.396 30.300 -0.568 0.000 1.188 540 R HN 0.266 nan 8.270 nan 0.000 0.598 541 H N 1.109 120.129 119.070 -0.083 0.000 2.530 541 H HA 0.232 8.142 4.556 5.589 0.000 0.246 541 H C -2.057 173.171 175.328 -0.166 0.000 1.346 541 H CA -2.181 53.789 56.048 -0.129 0.000 1.424 541 H CB 1.695 31.390 29.762 -0.112 0.000 1.445 541 H HN 0.172 nan 8.280 nan 0.000 0.511 542 P HA -0.128 nan 4.420 nan 0.000 0.220 542 P C 0.824 178.031 177.300 -0.155 0.000 1.148 542 P CA 0.778 63.747 63.100 -0.219 0.000 0.803 542 P CB 0.750 32.094 31.700 -0.594 0.000 0.782 543 E N 1.446 121.376 120.200 -0.450 0.000 1.852 543 E HA 0.013 7.718 4.350 5.591 0.000 0.276 543 E C -0.170 176.345 176.600 -0.143 0.000 1.163 543 E CA -0.230 55.941 56.400 -0.382 0.000 1.117 543 E CB -0.859 28.371 29.700 -0.783 0.000 1.124 543 E HN 0.472 nan 8.360 nan 0.000 0.458 544 H N -1.259 117.766 119.070 -0.074 0.000 2.630 544 H HA 0.670 8.582 4.556 5.593 0.000 0.343 544 H C 0.827 176.166 175.328 0.019 0.000 1.232 544 H CA -0.314 55.713 56.048 -0.035 0.000 1.294 544 H CB 1.175 30.925 29.762 -0.020 0.000 1.746 544 H HN 0.011 nan 8.280 nan 0.000 0.593 545 A N 0.700 123.588 122.820 0.113 0.000 2.066 545 A HA 0.039 7.713 4.320 5.591 0.000 0.218 545 A C 2.284 179.922 177.584 0.089 0.000 1.157 545 A CA 1.065 53.140 52.037 0.064 0.000 0.670 545 A CB -1.394 17.639 19.000 0.054 0.000 0.804 545 A HN 0.927 nan 8.150 nan 0.000 0.453 546 G N -0.206 108.743 108.800 0.248 0.000 2.470 546 G HA2 -0.208 7.107 3.960 5.591 0.000 0.220 546 G HA3 -0.208 7.107 3.960 5.591 0.000 0.220 546 G C 1.654 176.569 174.900 0.025 0.000 1.121 546 G CA 0.756 46.000 45.100 0.239 0.000 0.766 546 G HN 0.592 nan 8.290 nan 0.000 0.553 547 R N 0.234 120.565 120.500 -0.282 0.000 2.094 547 R HA -0.144 7.550 4.340 5.591 0.000 0.239 547 R C 2.616 178.966 176.300 0.084 0.000 1.137 547 R CA 1.970 58.007 56.100 -0.106 0.000 0.943 547 R CB -0.551 29.666 30.300 -0.140 0.000 0.850 547 R HN 0.668 nan 8.270 nan 0.000 0.433 548 I N -2.471 118.176 120.570 0.129 0.000 2.703 548 I HA -0.033 7.491 4.170 5.591 0.000 0.259 548 I C 2.393 178.709 176.117 0.331 0.000 1.151 548 I CA 0.830 62.286 61.300 0.261 0.000 1.470 548 I CB -0.287 37.882 38.000 0.281 0.000 1.112 548 I HN 0.034 nan 8.210 nan 0.000 0.437 549 Q N 1.961 121.927 119.800 0.276 0.000 2.084 549 Q HA -0.191 7.504 4.340 5.591 0.000 0.202 549 Q C 2.433 178.534 176.000 0.168 0.000 0.978 549 Q CA 2.766 58.719 55.803 0.250 0.000 0.844 549 Q CB -0.030 28.830 28.738 0.204 0.000 0.898 549 Q HN 0.768 nan 8.270 nan 0.000 0.426 550 S N -0.309 115.474 115.700 0.139 0.000 2.399 550 S HA -0.144 7.680 4.470 5.591 0.000 0.231 550 S C 1.856 176.501 174.600 0.074 0.000 1.022 550 S CA 1.070 59.328 58.200 0.095 0.000 0.983 550 S CB -0.477 62.779 63.200 0.093 0.000 0.803 550 S HN 0.405 nan 8.310 nan 0.000 0.480 551 I N 0.311 120.951 120.570 0.116 0.000 2.202 551 I HA -0.120 7.404 4.170 5.591 0.000 0.242 551 I C 2.540 178.700 176.117 0.073 0.000 1.091 551 I CA 1.464 62.822 61.300 0.096 0.000 1.368 551 I CB -0.389 37.719 38.000 0.179 0.000 1.058 551 I HN 0.450 nan 8.210 nan 0.000 0.410 552 W N 1.955 123.155 121.300 -0.166 0.000 2.338 552 W HA -0.282 7.729 4.660 5.584 0.000 0.304 552 W C 2.791 179.162 176.519 -0.247 0.000 1.212 552 W CA 1.942 59.083 57.345 -0.340 0.000 1.264 552 W CB -0.005 28.932 29.460 -0.871 0.000 1.142 552 W HN 0.325 nan 8.180 nan 0.000 0.512 553 S N 0.621 116.240 115.700 -0.135 0.000 2.357 553 S HA -0.241 7.583 4.470 5.591 0.000 0.221 553 S C 1.824 176.307 174.600 -0.195 0.000 1.031 553 S CA 1.197 59.284 58.200 -0.188 0.000 0.982 553 S CB -0.795 62.371 63.200 -0.056 0.000 0.853 553 S HN 0.232 nan 8.310 nan 0.000 0.458 554 R N 1.602 122.027 120.500 -0.126 0.000 2.154 554 R HA 0.049 7.743 4.340 5.591 0.000 0.248 554 R C 2.027 178.226 176.300 -0.168 0.000 1.155 554 R CA 1.550 57.579 56.100 -0.119 0.000 0.979 554 R CB -1.090 29.162 30.300 -0.080 0.000 0.869 554 R HN 0.581 nan 8.270 nan 0.000 0.452 555 L N -0.312 120.769 121.223 -0.237 0.000 2.156 555 L HA -0.038 7.656 4.340 5.591 0.000 0.208 555 L C 2.704 179.393 176.870 -0.301 0.000 1.095 555 L CA 1.436 56.111 54.840 -0.275 0.000 0.770 555 L CB -0.420 41.443 42.059 -0.327 0.000 0.914 555 L HN 0.404 nan 8.230 nan 0.000 0.439 556 Q N 0.340 119.923 119.800 -0.361 0.000 2.212 556 Q HA -0.168 7.527 4.340 5.591 0.000 0.199 556 Q C 1.865 177.750 176.000 -0.190 0.000 0.950 556 Q CA 0.982 56.605 55.803 -0.300 0.000 0.863 556 Q CB 0.239 28.770 28.738 -0.347 0.000 0.944 556 Q HN 0.498 nan 8.270 nan 0.000 0.465 557 E N -0.043 120.059 120.200 -0.164 0.000 2.153 557 E HA -0.129 7.576 4.350 5.591 0.000 0.194 557 E C 1.549 178.089 176.600 -0.100 0.000 0.988 557 E CA 0.718 57.050 56.400 -0.113 0.000 0.811 557 E CB 0.183 29.827 29.700 -0.094 0.000 0.746 557 E HN 0.191 nan 8.360 nan 0.000 0.466 558 R N -0.597 119.836 120.500 -0.112 0.000 2.359 558 R HA 0.122 7.816 4.340 5.591 0.000 0.231 558 R C 1.001 177.245 176.300 -0.092 0.000 0.913 558 R CA 0.690 56.733 56.100 -0.094 0.000 1.075 558 R CB 0.973 31.217 30.300 -0.094 0.000 1.087 558 R HN 0.298 nan 8.270 nan 0.000 0.515 559 G N 1.028 109.764 108.800 -0.106 0.000 2.176 559 G HA2 -0.286 7.028 3.960 5.591 0.000 0.253 559 G HA3 -0.286 7.028 3.960 5.591 0.000 0.253 559 G C 0.848 175.686 174.900 -0.103 0.000 0.979 559 G CA 0.248 45.291 45.100 -0.096 0.000 0.641 559 G HN 0.286 nan 8.290 nan 0.000 0.530 560 L N -0.722 120.426 121.223 -0.126 0.000 2.049 560 L HA 0.104 7.799 4.340 5.591 0.000 0.203 560 L C 2.990 179.777 176.870 -0.139 0.000 1.074 560 L CA 1.565 56.333 54.840 -0.120 0.000 0.749 560 L CB -0.537 41.446 42.059 -0.127 0.000 0.907 560 L HN 0.235 nan 8.230 nan 0.000 0.439 561 R N 0.394 120.759 120.500 -0.225 0.000 2.134 561 R HA -0.226 7.468 4.340 5.591 0.000 0.248 561 R C 2.513 178.720 176.300 -0.155 0.000 1.143 561 R CA 2.200 58.134 56.100 -0.277 0.000 0.957 561 R CB -0.372 29.603 30.300 -0.541 0.000 0.867 561 R HN 0.487 nan 8.270 nan 0.000 0.441 562 S N 0.128 115.751 115.700 -0.129 0.000 2.447 562 S HA -0.143 7.681 4.470 5.591 0.000 0.233 562 S C 1.612 176.192 174.600 -0.032 0.000 1.006 562 S CA 0.824 58.982 58.200 -0.069 0.000 0.957 562 S CB -0.092 63.070 63.200 -0.064 0.000 0.773 562 S HN 0.428 nan 8.310 nan 0.000 0.507 563 Q N -0.107 119.671 119.800 -0.036 0.000 2.389 563 Q HA 0.148 7.843 4.340 5.591 0.000 0.204 563 Q C 0.343 176.346 176.000 0.004 0.000 0.944 563 Q CA 0.253 56.048 55.803 -0.013 0.000 0.908 563 Q CB -0.126 28.601 28.738 -0.018 0.000 1.002 563 Q HN 0.552 nan 8.270 nan 0.000 0.493 564 C N 1.116 120.420 119.300 0.007 0.000 2.335 564 C HA 0.330 8.144 4.460 5.591 0.000 0.363 564 C C 0.531 175.560 174.990 0.065 0.000 1.198 564 C CA -0.950 58.092 59.018 0.040 0.000 2.279 564 C CB 1.060 28.835 27.740 0.058 0.000 2.334 564 C HN 0.288 nan 8.230 nan 0.000 0.559 565 E N 0.676 120.925 120.200 0.083 0.000 2.052 565 E HA 0.271 7.975 4.350 5.591 0.000 0.283 565 E C -1.002 175.689 176.600 0.153 0.000 1.071 565 E CA -0.067 56.394 56.400 0.102 0.000 0.851 565 E CB 0.006 29.758 29.700 0.087 0.000 1.066 565 E HN 0.652 nan 8.360 nan 0.000 0.396 566 C N 6.375 125.787 119.300 0.186 0.000 2.394 566 C HA 0.458 8.272 4.460 5.591 0.000 0.362 566 C C 0.005 175.139 174.990 0.240 0.000 1.268 566 C CA -0.709 58.486 59.018 0.295 0.000 1.828 566 C CB -1.256 26.711 27.740 0.379 0.000 2.442 566 C HN 0.650 nan 8.230 nan 0.000 0.549 567 L N 3.333 124.690 121.223 0.223 0.000 2.323 567 L HA 0.571 8.265 4.340 5.591 0.000 0.265 567 L C 0.994 177.955 176.870 0.151 0.000 1.012 567 L CA -0.654 54.283 54.840 0.162 0.000 0.820 567 L CB 1.460 43.596 42.059 0.128 0.000 1.334 567 L HN 0.640 nan 8.230 nan 0.000 0.427 568 R N 0.494 121.087 120.500 0.155 0.000 2.175 568 R HA 0.380 8.074 4.340 5.591 0.000 0.202 568 R C 0.677 177.186 176.300 0.348 0.000 1.018 568 R CA 0.397 56.623 56.100 0.211 0.000 1.029 568 R CB 0.395 30.834 30.300 0.231 0.000 0.959 568 R HN 0.901 nan 8.270 nan 0.000 0.480 569 G N 1.437 110.325 108.800 0.147 0.000 2.512 569 G HA2 -0.234 7.080 3.960 5.591 0.000 0.210 569 G HA3 -0.234 7.080 3.960 5.591 0.000 0.210 569 G C -1.180 173.395 174.900 -0.541 0.000 1.295 569 G CA -0.350 44.674 45.100 -0.126 0.000 0.934 569 G HN 0.400 nan 8.290 nan 0.000 0.554 570 R N -1.487 118.282 120.500 -1.219 0.000 2.728 570 R HA 0.698 8.392 4.340 5.591 0.000 0.274 570 R C -0.692 174.763 176.300 -1.409 0.000 1.030 570 R CA -1.108 54.111 56.100 -1.468 0.000 0.876 570 R CB 0.905 30.835 30.300 -0.617 0.000 1.259 570 R HN 0.542 nan 8.270 nan 0.000 0.468 571 K N 0.794 120.669 120.400 -0.875 0.000 2.401 571 K HA 0.301 7.975 4.320 5.591 0.000 0.278 571 K C -0.099 176.339 176.600 -0.270 0.000 1.018 571 K CA 0.210 56.292 56.287 -0.341 0.000 0.981 571 K CB 1.144 33.600 32.500 -0.074 0.000 0.933 571 K HN 0.647 nan 8.250 nan 0.000 0.477 572 A N 2.733 125.436 122.820 -0.196 0.000 2.477 572 A HA 0.085 7.760 4.320 5.591 0.000 0.246 572 A C 0.440 177.933 177.584 -0.152 0.000 1.078 572 A CA -0.171 51.761 52.037 -0.174 0.000 0.770 572 A CB 0.091 18.988 19.000 -0.173 0.000 1.011 572 A HN 0.787 nan 8.150 nan 0.000 0.494 573 S N 2.056 117.673 115.700 -0.139 0.000 2.600 573 S HA 0.258 8.082 4.470 5.591 0.000 0.265 573 S C 0.925 175.458 174.600 -0.111 0.000 1.325 573 S CA -0.503 57.632 58.200 -0.108 0.000 1.002 573 S CB 0.381 63.524 63.200 -0.095 0.000 0.921 573 S HN 0.527 nan 8.310 nan 0.000 0.554 574 L N 1.249 122.423 121.223 -0.083 0.000 2.093 574 L HA 0.044 7.738 4.340 5.591 0.000 0.208 574 L C 2.502 179.337 176.870 -0.060 0.000 1.085 574 L CA 1.715 56.509 54.840 -0.077 0.000 0.755 574 L CB -1.660 40.374 42.059 -0.042 0.000 0.904 574 L HN 0.780 nan 8.230 nan 0.000 0.435 575 E N -0.397 119.775 120.200 -0.047 0.000 2.085 575 E HA -0.208 7.496 4.350 5.591 0.000 0.194 575 E C 2.129 178.710 176.600 -0.031 0.000 0.994 575 E CA 1.310 57.691 56.400 -0.031 0.000 0.801 575 E CB -0.149 29.534 29.700 -0.029 0.000 0.743 575 E HN 0.505 nan 8.360 nan 0.000 0.453 576 E N 0.273 120.440 120.200 -0.055 0.000 2.051 576 E HA -0.152 7.552 4.350 5.591 0.000 0.192 576 E C 2.132 178.711 176.600 -0.035 0.000 0.991 576 E CA 0.892 57.264 56.400 -0.046 0.000 0.799 576 E CB -0.186 29.469 29.700 -0.075 0.000 0.748 576 E HN 0.204 nan 8.360 nan 0.000 0.449 577 L N 0.946 122.114 121.223 -0.091 0.000 2.013 577 L HA -0.279 7.415 4.340 5.591 0.000 0.212 577 L C 2.450 179.357 176.870 0.062 0.000 1.073 577 L CA 1.462 56.251 54.840 -0.085 0.000 0.753 577 L CB -0.597 41.252 42.059 -0.350 0.000 0.890 577 L HN 0.163 nan 8.230 nan 0.000 0.432 578 Q N -0.210 119.608 119.800 0.030 0.000 2.437 578 Q HA -0.131 7.564 4.340 5.591 0.000 0.210 578 Q C 2.293 178.320 176.000 0.045 0.000 0.972 578 Q CA 1.310 57.148 55.803 0.057 0.000 0.903 578 Q CB -0.184 28.578 28.738 0.039 0.000 0.967 578 Q HN 0.652 nan 8.270 nan 0.000 0.486 579 S N -0.837 114.878 115.700 0.024 0.000 2.447 579 S HA -0.067 7.758 4.470 5.591 0.000 0.233 579 S C 1.699 176.285 174.600 -0.024 0.000 1.006 579 S CA 0.919 59.127 58.200 0.013 0.000 0.957 579 S CB 0.126 63.341 63.200 0.025 0.000 0.773 579 S HN 0.185 nan 8.310 nan 0.000 0.507 580 V N -0.002 119.875 119.914 -0.061 0.000 3.371 580 V HA 0.292 7.766 4.120 5.591 0.000 0.246 580 V C 0.264 176.195 176.094 -0.271 0.000 1.303 580 V CA 0.049 62.209 62.300 -0.234 0.000 1.156 580 V CB 0.031 31.623 31.823 -0.385 0.000 0.929 580 V HN 0.513 nan 8.190 nan 0.000 0.459 581 H N 0.622 119.718 119.070 0.042 0.000 2.573 581 H HA 0.513 8.422 4.556 5.589 0.000 0.351 581 H C 0.182 175.370 175.328 -0.234 0.000 1.163 581 H CA 0.098 56.084 56.048 -0.103 0.000 1.205 581 H CB 1.915 31.744 29.762 0.111 0.000 1.605 581 H HN 0.342 nan 8.280 nan 0.000 0.525 582 S N 0.570 115.935 115.700 -0.559 0.000 2.573 582 S HA -0.061 7.763 4.470 5.591 0.000 0.277 582 S C 1.366 175.969 174.600 0.005 0.000 1.346 582 S CA -0.286 57.717 58.200 -0.329 0.000 1.034 582 S CB 1.195 64.170 63.200 -0.375 0.000 0.879 582 S HN 0.823 nan 8.310 nan 0.000 0.528 583 E N 1.659 121.880 120.200 0.034 0.000 2.114 583 E HA -0.281 7.424 4.350 5.591 0.000 0.199 583 E C 1.977 178.602 176.600 0.041 0.000 1.008 583 E CA 1.828 58.254 56.400 0.044 0.000 0.810 583 E CB -0.082 29.638 29.700 0.034 0.000 0.739 583 E HN 0.773 nan 8.360 nan 0.000 0.456 584 R N -0.793 119.725 120.500 0.030 0.000 2.073 584 R HA -0.123 7.572 4.340 5.591 0.000 0.234 584 R C 2.349 178.662 176.300 0.022 0.000 1.134 584 R CA 1.779 57.885 56.100 0.010 0.000 0.952 584 R CB -1.082 29.221 30.300 0.004 0.000 0.850 584 R HN 0.319 nan 8.270 nan 0.000 0.433 585 H N 0.452 119.518 119.070 -0.006 0.000 2.289 585 H HA -0.086 7.824 4.556 5.590 0.000 0.296 585 H C 1.745 177.184 175.328 0.184 0.000 1.091 585 H CA 2.154 58.256 56.048 0.090 0.000 1.274 585 H CB -0.079 29.756 29.762 0.122 0.000 1.364 585 H HN -0.013 nan 8.280 nan 0.000 0.490 586 V N 0.536 120.613 119.914 0.271 0.000 2.407 586 V HA -0.260 7.214 4.120 5.591 0.000 0.248 586 V C 2.665 178.815 176.094 0.094 0.000 1.055 586 V CA 1.799 64.231 62.300 0.220 0.000 1.049 586 V CB -0.643 31.260 31.823 0.134 0.000 0.662 586 V HN 0.393 nan 8.190 nan 0.000 0.455 587 L N -0.942 120.290 121.223 0.015 0.000 1.994 587 L HA -0.197 7.497 4.340 5.591 0.000 0.208 587 L C 2.495 179.294 176.870 -0.119 0.000 1.071 587 L CA 1.347 56.165 54.840 -0.036 0.000 0.745 587 L CB -0.683 41.347 42.059 -0.047 0.000 0.892 587 L HN 0.327 nan 8.230 nan 0.000 0.431 588 L N -0.776 120.280 121.223 -0.279 0.000 2.013 588 L HA -0.259 7.436 4.340 5.591 0.000 0.212 588 L C 1.956 178.433 176.870 -0.655 0.000 1.073 588 L CA 2.136 56.617 54.840 -0.599 0.000 0.753 588 L CB -0.574 40.904 42.059 -0.969 0.000 0.890 588 L HN 0.210 nan 8.230 nan 0.000 0.432 589 Y N -2.210 117.990 120.300 -0.166 0.000 2.430 589 Y HA 0.387 8.293 4.550 5.594 0.000 0.248 589 Y C 2.097 178.242 175.900 0.410 0.000 1.108 589 Y CA 0.277 58.336 58.100 -0.068 0.000 1.264 589 Y CB -0.156 37.992 38.460 -0.520 0.000 1.172 589 Y HN 0.118 nan 8.280 nan 0.000 0.520 590 G N -0.433 108.641 108.800 0.457 0.000 3.044 590 G HA2 0.142 7.456 3.960 5.591 0.000 0.223 590 G HA3 0.142 7.456 3.960 5.591 0.000 0.223 590 G C 0.342 175.342 174.900 0.167 0.000 1.123 590 G CA 0.506 45.805 45.100 0.332 0.000 0.765 590 G HN 0.234 nan 8.290 nan 0.000 0.546 591 T N -1.831 112.802 114.554 0.132 0.000 2.893 591 T HA 0.479 8.183 4.350 5.591 0.000 0.291 591 T C -0.713 174.031 174.700 0.073 0.000 1.028 591 T CA -0.944 61.200 62.100 0.072 0.000 0.995 591 T CB 2.321 71.207 68.868 0.030 0.000 1.051 591 T HN -0.083 nan 8.240 nan 0.000 0.470 592 N N 2.535 121.264 118.700 0.048 0.000 2.447 592 N HA 0.222 8.317 4.740 5.591 0.000 0.263 592 N C -1.617 173.906 175.510 0.022 0.000 1.226 592 N CA -1.826 51.245 53.050 0.034 0.000 0.906 592 N CB 0.894 39.391 38.487 0.016 0.000 1.060 592 N HN 0.384 nan 8.380 nan 0.000 0.468 593 P HA -0.008 nan 4.420 nan 0.000 0.230 593 P C 1.044 178.342 177.300 -0.002 0.000 1.158 593 P CA 0.775 63.879 63.100 0.007 0.000 0.769 593 P CB 0.351 32.059 31.700 0.014 0.000 0.807 594 L N -1.263 119.959 121.223 -0.001 0.000 2.249 594 L HA 0.032 7.727 4.340 5.591 0.000 0.207 594 L C 1.436 178.303 176.870 -0.004 0.000 1.090 594 L CA 0.388 55.225 54.840 -0.005 0.000 0.802 594 L CB -0.309 41.746 42.059 -0.006 0.000 0.947 594 L HN 0.013 nan 8.230 nan 0.000 0.453 615 M N 5.771 125.395 119.600 0.039 0.000 2.200 615 M HA 0.549 8.384 4.480 5.591 0.000 0.355 615 M C -0.929 175.400 176.300 0.049 0.000 1.283 615 M CA 0.429 55.755 55.300 0.043 0.000 1.124 615 M CB 0.481 33.100 32.600 0.031 0.000 1.625 615 M HN 0.501 nan 8.290 nan 0.000 0.463 616 L N 8.114 129.374 121.223 0.061 0.000 2.322 616 L HA 0.430 8.125 4.340 5.591 0.000 0.279 616 L C -1.348 175.560 176.870 0.062 0.000 1.036 616 L CA -1.883 53.001 54.840 0.073 0.000 0.807 616 L CB 1.054 43.176 42.059 0.105 0.000 1.226 616 L HN 0.574 nan 8.230 nan 0.000 0.433 617 P HA -0.236 nan 4.420 nan 0.000 0.221 617 P C 1.246 178.571 177.300 0.042 0.000 1.153 617 P CA 1.471 64.595 63.100 0.040 0.000 0.858 617 P CB -0.129 31.590 31.700 0.032 0.000 0.783 618 C N -4.634 114.705 119.300 0.065 0.000 2.799 618 C HA 0.693 8.508 4.460 5.591 0.000 0.267 618 C C 2.005 177.032 174.990 0.062 0.000 1.257 618 C CA 0.208 59.267 59.018 0.068 0.000 1.702 618 C CB -0.884 26.928 27.740 0.121 0.000 1.934 618 C HN 0.416 nan 8.230 nan 0.000 0.594 619 G N 0.436 109.271 108.800 0.057 0.000 2.217 619 G HA2 0.001 7.315 3.960 5.591 0.000 0.246 619 G HA3 0.001 7.315 3.960 5.591 0.000 0.246 619 G C 0.609 175.535 174.900 0.044 0.000 0.990 619 G CA 0.221 45.347 45.100 0.044 0.000 0.627 619 G HN 1.198 nan 8.290 nan 0.000 0.522 620 G N -0.649 108.182 108.800 0.051 0.000 2.716 620 G HA2 0.513 7.828 3.960 5.591 0.000 0.251 620 G HA3 0.513 7.828 3.960 5.591 0.000 0.251 620 G C 0.245 175.179 174.900 0.057 0.000 1.224 620 G CA 0.405 45.527 45.100 0.036 0.000 0.891 620 G HN 0.971 nan 8.290 nan 0.000 0.561 621 V N -0.022 119.936 119.914 0.073 0.000 2.617 621 V HA 0.781 8.255 4.120 5.591 0.000 0.298 621 V C 0.915 177.113 176.094 0.172 0.000 1.048 621 V CA 0.645 63.018 62.300 0.121 0.000 0.964 621 V CB 1.278 33.191 31.823 0.150 0.000 1.004 621 V HN 1.185 nan 8.190 nan 0.000 0.466 622 G N 1.382 110.287 108.800 0.175 0.000 2.684 622 G HA2 0.497 7.812 3.960 5.591 0.000 0.290 622 G HA3 0.497 7.812 3.960 5.591 0.000 0.290 622 G C 0.297 175.299 174.900 0.169 0.000 1.425 622 G CA 0.170 45.400 45.100 0.216 0.000 0.822 622 G HN 0.877 nan 8.290 nan 0.000 0.482 623 V N -2.138 117.884 119.914 0.181 0.000 2.535 623 V HA 0.295 7.769 4.120 5.591 0.000 0.246 623 V C 0.612 176.736 176.094 0.050 0.000 1.045 623 V CA 2.269 64.626 62.300 0.095 0.000 1.058 623 V CB -0.690 31.166 31.823 0.055 0.000 0.689 623 V HN 0.856 nan 8.190 nan 0.000 0.461 624 D N -1.556 118.875 120.400 0.051 0.000 3.076 624 D HA 0.229 8.224 4.640 5.591 0.000 0.301 624 D C 1.034 177.370 176.300 0.060 0.000 1.260 624 D CA 0.315 54.333 54.000 0.032 0.000 1.027 624 D CB 0.734 41.529 40.800 -0.008 0.000 1.370 624 D HN -0.047 nan 8.370 nan 0.000 0.602 625 T N -2.402 112.178 114.554 0.042 0.000 3.023 625 T HA -0.005 7.700 4.350 5.591 0.000 0.266 625 T C 0.345 175.118 174.700 0.123 0.000 1.093 625 T CA 1.322 63.465 62.100 0.071 0.000 1.129 625 T CB -0.430 68.462 68.868 0.039 0.000 0.899 625 T HN 0.336 nan 8.240 nan 0.000 0.491 626 D N 0.635 121.097 120.400 0.104 0.000 2.323 626 D HA 0.075 8.069 4.640 5.591 0.000 0.218 626 D C 0.222 176.753 176.300 0.386 0.000 0.973 626 D CA 0.590 54.739 54.000 0.249 0.000 0.890 626 D CB 0.301 41.082 40.800 -0.033 0.000 1.011 626 D HN 0.334 nan 8.370 nan 0.000 0.499 627 T N 2.960 117.640 114.554 0.210 0.000 2.762 627 T HA 0.359 8.063 4.350 5.591 0.000 0.303 627 T C 0.488 175.373 174.700 0.308 0.000 0.977 627 T CA -0.476 61.768 62.100 0.241 0.000 0.961 627 T CB 0.498 69.342 68.868 -0.039 0.000 0.944 627 T HN 0.042 nan 8.240 nan 0.000 0.481 628 I N -0.491 120.301 120.570 0.370 0.000 2.713 628 I HA 0.636 8.160 4.170 5.591 0.000 0.300 628 I C -0.525 175.920 176.117 0.546 0.000 1.009 628 I CA -0.996 60.468 61.300 0.273 0.000 1.305 628 I CB 1.071 39.008 38.000 -0.105 0.000 1.430 628 I HN 0.667 nan 8.210 nan 0.000 0.546 629 W N 5.826 127.197 121.300 0.119 0.000 2.619 629 W HA 0.376 8.389 4.660 5.588 0.000 0.327 629 W C -1.174 175.343 176.519 -0.005 0.000 1.027 629 W CA -0.806 56.591 57.345 0.086 0.000 1.233 629 W CB 1.584 31.111 29.460 0.112 0.000 1.370 629 W HN 0.680 nan 8.180 nan 0.000 0.453 630 N N 3.975 122.390 118.700 -0.474 0.000 2.439 630 N HA 0.040 8.135 4.740 5.591 0.000 0.249 630 N C 0.570 175.662 175.510 -0.697 0.000 1.003 630 N CA 0.294 53.090 53.050 -0.423 0.000 0.942 630 N CB 1.166 39.485 38.487 -0.280 0.000 1.115 630 N HN 0.551 nan 8.380 nan 0.000 0.505 631 E N 2.665 122.622 120.200 -0.406 0.000 2.265 631 E HA -0.096 7.608 4.350 5.591 0.000 0.196 631 E C 1.136 177.537 176.600 -0.331 0.000 0.996 631 E CA 0.908 57.138 56.400 -0.284 0.000 0.832 631 E CB 0.392 30.061 29.700 -0.051 0.000 0.756 631 E HN 0.646 nan 8.360 nan 0.000 0.491 632 L N -0.528 120.419 121.223 -0.460 0.000 2.357 632 L HA 0.021 7.716 4.340 5.591 0.000 0.211 632 L C 1.789 178.255 176.870 -0.673 0.000 1.075 632 L CA 0.564 55.040 54.840 -0.606 0.000 0.830 632 L CB 0.078 41.620 42.059 -0.861 0.000 0.996 632 L HN 0.235 nan 8.230 nan 0.000 0.467 633 H N -2.411 116.475 119.070 -0.308 0.000 3.017 633 H HA 0.242 8.152 4.556 5.590 0.000 0.255 633 H C 2.263 177.375 175.328 -0.359 0.000 0.990 633 H CA 0.216 56.099 56.048 -0.274 0.000 1.205 633 H CB 0.637 30.274 29.762 -0.209 0.000 1.460 633 H HN 0.053 nan 8.280 nan 0.000 0.478 634 S N 0.716 116.090 115.700 -0.543 0.000 2.355 634 S HA -0.168 7.656 4.470 5.591 0.000 0.222 634 S C 2.353 176.541 174.600 -0.685 0.000 1.031 634 S CA 1.427 59.205 58.200 -0.704 0.000 0.993 634 S CB -0.059 62.369 63.200 -1.285 0.000 0.859 634 S HN 0.423 nan 8.310 nan 0.000 0.453 635 S N 1.955 117.252 115.700 -0.670 0.000 2.374 635 S HA -0.196 7.629 4.470 5.591 0.000 0.227 635 S C 1.570 176.197 174.600 0.046 0.000 1.037 635 S CA 1.848 60.020 58.200 -0.047 0.000 1.024 635 S CB -0.689 62.632 63.200 0.202 0.000 0.861 635 S HN 0.628 nan 8.310 nan 0.000 0.456 636 N N 0.940 119.630 118.700 -0.017 0.000 2.142 636 N HA 0.009 8.103 4.740 5.591 0.000 0.186 636 N C 2.106 177.671 175.510 0.092 0.000 1.023 636 N CA 1.018 54.105 53.050 0.063 0.000 0.852 636 N CB -0.366 38.140 38.487 0.032 0.000 0.998 636 N HN 0.523 nan 8.380 nan 0.000 0.424 637 A N 1.402 124.214 122.820 -0.014 0.000 1.877 637 A HA -0.031 7.643 4.320 5.591 0.000 0.216 637 A C 2.371 179.990 177.584 0.059 0.000 1.186 637 A CA 1.712 53.740 52.037 -0.013 0.000 0.620 637 A CB -1.015 17.932 19.000 -0.088 0.000 0.822 637 A HN 0.330 nan 8.150 nan 0.000 0.443 638 A N -0.203 122.618 122.820 0.002 0.000 1.883 638 A HA -0.213 7.461 4.320 5.591 0.000 0.217 638 A C 2.253 180.047 177.584 0.350 0.000 1.186 638 A CA 1.741 53.884 52.037 0.176 0.000 0.624 638 A CB -0.510 18.563 19.000 0.121 0.000 0.822 638 A HN 0.559 nan 8.150 nan 0.000 0.444 639 R N -1.973 118.714 120.500 0.310 0.000 2.115 639 R HA -0.138 7.557 4.340 5.591 0.000 0.230 639 R C 2.131 178.500 176.300 0.114 0.000 1.111 639 R CA 1.187 57.381 56.100 0.155 0.000 0.976 639 R CB -0.280 30.076 30.300 0.093 0.000 0.870 639 R HN 0.839 nan 8.270 nan 0.000 0.445 640 W N 1.259 122.562 121.300 0.006 0.000 2.381 640 W HA -0.103 7.909 4.660 5.588 0.000 0.301 640 W C 2.039 178.549 176.519 -0.014 0.000 1.205 640 W CA 1.624 58.953 57.345 -0.026 0.000 1.285 640 W CB -0.230 29.194 29.460 -0.060 0.000 1.133 640 W HN 0.130 nan 8.180 nan 0.000 0.521 641 A N 0.836 123.796 122.820 0.234 0.000 1.883 641 A HA -0.147 7.527 4.320 5.591 0.000 0.217 641 A C 2.161 179.790 177.584 0.076 0.000 1.186 641 A CA 2.937 55.066 52.037 0.152 0.000 0.624 641 A CB -1.316 17.773 19.000 0.150 0.000 0.822 641 A HN 0.260 nan 8.150 nan 0.000 0.444 642 A N -0.652 122.220 122.820 0.087 0.000 1.858 642 A HA 0.138 7.812 4.320 5.591 0.000 0.216 642 A C 2.450 180.012 177.584 -0.036 0.000 1.190 642 A CA 1.950 54.020 52.037 0.055 0.000 0.617 642 A CB -1.440 17.607 19.000 0.078 0.000 0.827 642 A HN 0.790 nan 8.150 nan 0.000 0.443 643 G N -0.954 107.768 108.800 -0.130 0.000 2.422 643 G HA2 -0.073 7.242 3.960 5.591 0.000 0.218 643 G HA3 -0.073 7.242 3.960 5.591 0.000 0.218 643 G C 1.751 176.505 174.900 -0.243 0.000 1.140 643 G CA 1.312 46.276 45.100 -0.226 0.000 0.775 643 G HN 0.495 nan 8.290 nan 0.000 0.545 644 S N 0.029 115.580 115.700 -0.248 0.000 2.357 644 S HA -0.067 7.757 4.470 5.591 0.000 0.221 644 S C 2.500 177.075 174.600 -0.042 0.000 1.031 644 S CA 0.936 59.037 58.200 -0.165 0.000 0.982 644 S CB -0.225 62.909 63.200 -0.109 0.000 0.853 644 S HN 0.171 nan 8.310 nan 0.000 0.458 645 V N 2.210 122.118 119.914 -0.009 0.000 2.332 645 V HA -0.220 7.255 4.120 5.591 0.000 0.248 645 V C 2.526 178.648 176.094 0.047 0.000 1.055 645 V CA 2.192 64.504 62.300 0.021 0.000 1.038 645 V CB -1.413 30.424 31.823 0.024 0.000 0.651 645 V HN 0.521 nan 8.190 nan 0.000 0.450 646 T N -0.620 113.959 114.554 0.041 0.000 2.674 646 T HA -0.228 7.476 4.350 5.591 0.000 0.265 646 T C 1.722 176.508 174.700 0.143 0.000 1.039 646 T CA 1.885 64.049 62.100 0.106 0.000 1.150 646 T CB -0.398 68.485 68.868 0.025 0.000 0.864 646 T HN 0.576 nan 8.240 nan 0.000 0.427 647 D N 0.582 120.983 120.400 0.002 0.000 2.104 647 D HA -0.091 7.904 4.640 5.591 0.000 0.194 647 D C 1.997 178.353 176.300 0.093 0.000 0.994 647 D CA 0.669 54.665 54.000 -0.006 0.000 0.830 647 D CB -0.320 40.423 40.800 -0.095 0.000 0.959 647 D HN 0.122 nan 8.370 nan 0.000 0.452 648 L N 0.521 121.789 121.223 0.074 0.000 2.012 648 L HA -0.055 7.639 4.340 5.591 0.000 0.210 648 L C 2.193 179.127 176.870 0.108 0.000 1.073 648 L CA 2.221 57.115 54.840 0.089 0.000 0.748 648 L CB -1.130 40.976 42.059 0.078 0.000 0.891 648 L HN 0.098 nan 8.230 nan 0.000 0.431 649 A N -0.899 121.991 122.820 0.115 0.000 1.892 649 A HA -0.281 7.393 4.320 5.591 0.000 0.218 649 A C 2.180 179.806 177.584 0.070 0.000 1.188 649 A CA 2.297 54.384 52.037 0.084 0.000 0.631 649 A CB -1.258 17.786 19.000 0.074 0.000 0.822 649 A HN 0.480 nan 8.150 nan 0.000 0.447 650 F N 0.055 120.008 119.950 0.006 0.000 2.171 650 F HA -0.104 7.777 4.527 5.590 0.000 0.300 650 F C 2.351 178.164 175.800 0.022 0.000 1.090 650 F CA 1.863 59.868 58.000 0.010 0.000 1.293 650 F CB -0.080 38.919 39.000 -0.001 0.000 1.013 650 F HN 0.158 nan 8.300 nan 0.000 0.486 651 K N -0.458 120.059 120.400 0.194 0.000 2.155 651 K HA -0.059 7.615 4.320 5.591 0.000 0.203 651 K C 2.009 178.669 176.600 0.101 0.000 1.052 651 K CA 1.069 57.436 56.287 0.133 0.000 0.948 651 K CB -0.282 32.285 32.500 0.112 0.000 0.728 651 K HN 0.122 nan 8.250 nan 0.000 0.448 652 V N 1.205 121.165 119.914 0.076 0.000 2.407 652 V HA -0.163 7.312 4.120 5.591 0.000 0.245 652 V C 2.305 178.427 176.094 0.047 0.000 1.041 652 V CA 1.874 64.207 62.300 0.056 0.000 1.040 652 V CB -0.446 31.398 31.823 0.036 0.000 0.671 652 V HN 0.294 nan 8.190 nan 0.000 0.455 653 A N 0.815 123.632 122.820 -0.004 0.000 1.933 653 A HA -0.200 7.475 4.320 5.591 0.000 0.218 653 A C 2.467 180.042 177.584 -0.015 0.000 1.175 653 A CA 2.126 54.133 52.037 -0.050 0.000 0.628 653 A CB -0.700 18.194 19.000 -0.176 0.000 0.814 653 A HN 0.681 nan 8.150 nan 0.000 0.444 654 S N -1.668 114.043 115.700 0.018 0.000 2.555 654 S HA -0.067 7.757 4.470 5.591 0.000 0.230 654 S C 0.921 175.573 174.600 0.087 0.000 0.978 654 S CA 0.743 58.973 58.200 0.050 0.000 0.934 654 S CB -0.180 63.065 63.200 0.076 0.000 0.766 654 S HN 0.500 nan 8.310 nan 0.000 0.533 655 R N 0.170 120.750 120.500 0.133 0.000 3.953 655 R HA -0.186 7.509 4.340 5.591 0.000 0.340 655 R C 0.662 177.154 176.300 0.320 0.000 1.195 655 R CA 1.144 57.400 56.100 0.260 0.000 0.929 655 R CB -2.646 27.776 30.300 0.205 0.000 1.402 655 R HN 0.728 nan 8.270 nan 0.000 0.540 656 E N -0.058 120.272 120.200 0.215 0.000 2.031 656 E HA -0.085 7.619 4.350 5.591 0.000 0.193 656 E C 0.284 177.040 176.600 0.259 0.000 0.994 656 E CA 0.960 57.486 56.400 0.210 0.000 0.800 656 E CB 0.096 29.879 29.700 0.139 0.000 0.752 656 E HN -0.009 nan 8.360 nan 0.000 0.447 657 L N 0.232 121.550 121.223 0.159 0.000 2.344 657 L HA 0.152 7.846 4.340 5.591 0.000 0.272 657 L C 1.049 177.835 176.870 -0.139 0.000 1.035 657 L CA 0.459 55.308 54.840 0.015 0.000 0.807 657 L CB 1.432 43.502 42.059 0.019 0.000 1.237 657 L HN -0.150 nan 8.230 nan 0.000 0.442 658 K N 1.601 121.651 120.400 -0.583 0.000 2.044 658 K HA -0.018 7.657 4.320 5.591 0.000 0.204 658 K C 0.053 176.515 176.600 -0.230 0.000 1.049 658 K CA 1.207 57.024 56.287 -0.784 0.000 0.945 658 K CB 0.280 32.083 32.500 -1.161 0.000 0.724 658 K HN 0.882 nan 8.250 nan 0.000 0.440 659 N N -2.136 116.480 118.700 -0.140 0.000 3.308 659 N HA 0.424 8.518 4.740 5.591 0.000 0.276 659 N C -1.102 174.428 175.510 0.032 0.000 1.533 659 N CA -0.465 52.574 53.050 -0.018 0.000 0.878 659 N CB 1.065 39.561 38.487 0.015 0.000 1.566 659 N HN 0.094 nan 8.380 nan 0.000 0.546 660 G N -1.883 106.972 108.800 0.093 0.000 2.601 660 G HA2 0.563 7.877 3.960 5.591 0.000 0.291 660 G HA3 0.563 7.877 3.960 5.591 0.000 0.291 660 G C -2.384 172.656 174.900 0.234 0.000 1.456 660 G CA -0.763 44.425 45.100 0.147 0.000 0.804 660 G HN 0.564 nan 8.290 nan 0.000 0.499 661 F N 1.097 121.117 119.950 0.117 0.000 2.557 661 F HA 0.738 8.617 4.527 5.586 0.000 0.316 661 F C -0.132 175.760 175.800 0.153 0.000 1.141 661 F CA -0.869 57.216 58.000 0.143 0.000 0.922 661 F CB 2.049 41.156 39.000 0.178 0.000 1.194 661 F HN 0.784 nan 8.300 nan 0.000 0.443 662 A N 5.407 128.290 122.820 0.106 0.000 2.271 662 A HA 0.635 8.310 4.320 5.591 0.000 0.317 662 A C -1.210 176.504 177.584 0.218 0.000 1.245 662 A CA -0.606 51.538 52.037 0.177 0.000 0.857 662 A CB 0.692 19.730 19.000 0.064 0.000 1.175 662 A HN 0.584 nan 8.150 nan 0.000 0.512 663 V N 4.695 124.847 119.914 0.395 0.000 2.222 663 V HA 0.315 7.790 4.120 5.591 0.000 0.253 663 V C 0.281 176.530 176.094 0.258 0.000 1.210 663 V CA -0.144 62.419 62.300 0.440 0.000 1.079 663 V CB -0.482 31.665 31.823 0.540 0.000 1.265 663 V HN 0.755 nan 8.190 nan 0.000 0.494 664 V N 2.778 122.794 119.914 0.170 0.000 2.815 664 V HA 0.954 8.428 4.120 5.591 0.000 0.314 664 V C -0.424 175.730 176.094 0.100 0.000 1.064 664 V CA -1.033 61.333 62.300 0.110 0.000 0.952 664 V CB 2.128 34.006 31.823 0.093 0.000 1.020 664 V HN 0.906 nan 8.190 nan 0.000 0.439 665 R N 2.068 122.617 120.500 0.082 0.000 2.663 665 R HA 0.688 8.383 4.340 5.591 0.000 0.267 665 R C -3.263 173.075 176.300 0.063 0.000 1.038 665 R CA -1.528 54.626 56.100 0.089 0.000 0.886 665 R CB 1.905 32.262 30.300 0.095 0.000 1.249 665 R HN 0.535 nan 8.270 nan 0.000 0.463 666 P HA 0.211 nan 4.420 nan 0.000 0.274 666 P C -2.393 174.990 177.300 0.139 0.000 1.256 666 P CA -1.180 61.992 63.100 0.120 0.000 0.795 666 P CB 0.309 32.089 31.700 0.133 0.000 1.038 667 P HA 0.104 nan 4.420 nan 0.000 0.275 667 P C 0.513 177.890 177.300 0.128 0.000 1.270 667 P CA 0.175 63.345 63.100 0.116 0.000 0.791 667 P CB 0.274 32.055 31.700 0.136 0.000 1.089 668 G N -1.712 107.151 108.800 0.105 0.000 2.663 668 G HA2 -0.031 7.283 3.960 5.591 0.000 0.200 668 G HA3 -0.031 7.283 3.960 5.591 0.000 0.200 668 G C 1.149 176.130 174.900 0.136 0.000 1.114 668 G CA 0.360 45.539 45.100 0.131 0.000 0.861 668 G HN 0.738 nan 8.290 nan 0.000 0.702 669 H N -1.427 117.587 119.070 -0.094 0.000 2.495 669 H HA 0.141 8.054 4.556 5.595 0.000 0.287 669 H C 1.748 176.916 175.328 -0.266 0.000 1.033 669 H CA 0.813 56.746 56.048 -0.190 0.000 1.307 669 H CB -0.147 29.486 29.762 -0.216 0.000 1.401 669 H HN 0.306 nan 8.280 nan 0.000 0.555 670 H N 0.879 119.901 119.070 -0.080 0.000 2.551 670 H HA 0.314 8.228 4.556 5.597 0.000 0.266 670 H C 0.660 175.905 175.328 -0.139 0.000 0.977 670 H CA 0.487 56.416 56.048 -0.199 0.000 1.163 670 H CB 0.084 29.765 29.762 -0.135 0.000 1.381 670 H HN 0.485 nan 8.280 nan 0.000 0.581 671 A N 2.636 125.466 122.820 0.018 0.000 2.396 671 A HA 0.180 7.854 4.320 5.591 0.000 0.279 671 A C 0.168 177.774 177.584 0.037 0.000 1.165 671 A CA -0.523 51.519 52.037 0.008 0.000 0.824 671 A CB -0.118 18.916 19.000 0.058 0.000 1.100 671 A HN 0.363 nan 8.150 nan 0.000 0.516 672 D N 0.375 120.750 120.400 -0.042 0.000 2.564 672 D HA 0.091 8.086 4.640 5.591 0.000 0.273 672 D C 1.228 177.487 176.300 -0.068 0.000 1.192 672 D CA -0.251 53.700 54.000 -0.080 0.000 1.080 672 D CB 0.032 40.768 40.800 -0.106 0.000 1.160 672 D HN 0.524 nan 8.370 nan 0.000 0.607 673 H N -0.711 118.245 119.070 -0.190 0.000 2.353 673 H HA -0.153 7.756 4.556 5.589 0.000 0.298 673 H C 0.255 175.514 175.328 -0.114 0.000 1.103 673 H CA 2.029 57.970 56.048 -0.178 0.000 1.293 673 H CB 0.244 29.910 29.762 -0.159 0.000 1.372 673 H HN 0.421 nan 8.280 nan 0.000 0.501 674 S N -0.143 115.461 115.700 -0.160 0.000 2.902 674 S HA 0.259 8.084 4.470 5.591 0.000 0.250 674 S C -0.569 174.010 174.600 -0.034 0.000 1.046 674 S CA -0.652 57.455 58.200 -0.155 0.000 1.069 674 S CB 0.659 63.841 63.200 -0.031 0.000 0.967 674 S HN 0.194 nan 8.310 nan 0.000 0.530 675 T N 1.878 116.347 114.554 -0.141 0.000 2.928 675 T HA 0.741 8.446 4.350 5.591 0.000 0.296 675 T C -0.508 174.169 174.700 -0.039 0.000 1.000 675 T CA -0.505 61.585 62.100 -0.016 0.000 0.989 675 T CB 1.665 70.504 68.868 -0.048 0.000 1.005 675 T HN 0.488 nan 8.240 nan 0.000 0.442 676 A N 4.547 127.357 122.820 -0.015 0.000 2.301 676 A HA 0.966 8.640 4.320 5.591 0.000 0.312 676 A C -0.123 177.305 177.584 -0.260 0.000 1.182 676 A CA -0.714 51.151 52.037 -0.287 0.000 0.826 676 A CB 0.264 18.845 19.000 -0.698 0.000 1.134 676 A HN 1.048 nan 8.150 nan 0.000 0.501 677 M N 0.203 119.626 119.600 -0.295 0.000 2.755 677 M HA 0.569 8.403 4.480 5.591 0.000 0.276 677 M C 0.197 176.368 176.300 -0.214 0.000 1.129 677 M CA 0.127 55.306 55.300 -0.202 0.000 0.832 677 M CB 1.016 33.555 32.600 -0.102 0.000 1.700 677 M HN 2.180 nan 8.290 nan 0.000 0.518 678 G N 1.490 110.103 108.800 -0.312 0.000 2.356 678 G HA2 -0.170 7.145 3.960 5.591 0.000 0.296 678 G HA3 -0.170 7.145 3.960 5.591 0.000 0.296 678 G C -0.079 174.547 174.900 -0.457 0.000 1.022 678 G CA 0.734 45.459 45.100 -0.625 0.000 0.961 678 G HN 1.600 nan 8.290 nan 0.000 0.510 679 F N -4.194 115.634 119.950 -0.203 0.000 2.748 679 F HA -0.262 7.616 4.527 5.585 0.000 0.370 679 F C 1.470 177.091 175.800 -0.299 0.000 0.620 679 F CA -0.190 57.714 58.000 -0.160 0.000 1.233 679 F CB -2.213 36.788 39.000 0.001 0.000 1.708 679 F HN 0.550 nan 8.300 nan 0.000 0.298 680 C N 0.823 119.967 119.300 -0.260 0.000 2.358 680 C HA 0.641 8.455 4.460 5.591 0.000 0.342 680 C C 1.601 176.118 174.990 -0.788 0.000 1.234 680 C CA -0.309 58.530 59.018 -0.297 0.000 1.969 680 C CB 0.597 28.319 27.740 -0.031 0.000 2.346 680 C HN 0.271 nan 8.230 nan 0.000 0.525 681 F N -0.458 119.342 119.950 -0.249 0.000 2.549 681 F HA 0.413 8.294 4.527 5.591 0.000 0.275 681 F C 0.233 175.602 175.800 -0.718 0.000 0.990 681 F CA -0.034 57.581 58.000 -0.642 0.000 1.274 681 F CB -0.072 38.431 39.000 -0.829 0.000 1.064 681 F HN 0.322 nan 8.300 nan 0.000 0.715 682 F N 0.392 120.408 119.950 0.110 0.000 2.532 682 F HA 0.350 8.230 4.527 5.588 0.000 0.321 682 F C 0.162 176.077 175.800 0.192 0.000 1.089 682 F CA -1.738 56.273 58.000 0.018 0.000 0.926 682 F CB 0.582 39.618 39.000 0.060 0.000 1.168 682 F HN -0.251 nan 8.300 nan 0.000 0.459 683 N N 1.364 120.411 118.700 0.579 0.000 2.605 683 N HA 0.044 8.139 4.740 5.591 0.000 0.258 683 N C 0.702 176.360 175.510 0.248 0.000 1.156 683 N CA 0.257 53.492 53.050 0.308 0.000 1.008 683 N CB 0.593 39.184 38.487 0.174 0.000 1.354 683 N HN 0.589 nan 8.380 nan 0.000 0.509 684 S N 1.366 117.191 115.700 0.208 0.000 2.365 684 S HA -0.142 7.682 4.470 5.591 0.000 0.225 684 S C 1.983 176.650 174.600 0.111 0.000 1.039 684 S CA 1.162 59.452 58.200 0.150 0.000 1.033 684 S CB 0.005 63.275 63.200 0.116 0.000 0.887 684 S HN 0.425 nan 8.310 nan 0.000 0.447 685 V N 1.908 121.878 119.914 0.093 0.000 2.427 685 V HA -0.160 7.314 4.120 5.591 0.000 0.248 685 V C 2.652 178.832 176.094 0.144 0.000 1.051 685 V CA 1.580 63.927 62.300 0.079 0.000 1.048 685 V CB -1.266 30.580 31.823 0.039 0.000 0.666 685 V HN 0.555 nan 8.190 nan 0.000 0.456 686 A N -0.013 122.921 122.820 0.190 0.000 1.898 686 A HA -0.144 7.531 4.320 5.591 0.000 0.216 686 A C 2.172 179.902 177.584 0.245 0.000 1.181 686 A CA 1.784 54.004 52.037 0.306 0.000 0.620 686 A CB -0.508 18.529 19.000 0.062 0.000 0.819 686 A HN 0.506 nan 8.150 nan 0.000 0.442 687 I N -0.307 120.353 120.570 0.150 0.000 2.315 687 I HA -0.237 7.288 4.170 5.591 0.000 0.248 687 I C 2.914 179.114 176.117 0.138 0.000 1.117 687 I CA 0.948 62.322 61.300 0.122 0.000 1.404 687 I CB -0.254 37.810 38.000 0.106 0.000 1.071 687 I HN 0.346 nan 8.210 nan 0.000 0.419 688 A N -0.282 122.619 122.820 0.135 0.000 1.898 688 A HA -0.264 7.410 4.320 5.591 0.000 0.216 688 A C 2.521 180.182 177.584 0.128 0.000 1.181 688 A CA 1.764 53.888 52.037 0.145 0.000 0.620 688 A CB -1.272 17.791 19.000 0.105 0.000 0.819 688 A HN 0.605 nan 8.150 nan 0.000 0.442 689 C N -0.482 118.885 119.300 0.111 0.000 2.442 689 C HA -0.110 7.705 4.460 5.591 0.000 0.279 689 C C 2.857 177.908 174.990 0.101 0.000 1.237 689 C CA 1.360 60.407 59.018 0.048 0.000 1.722 689 C CB -1.184 26.517 27.740 -0.065 0.000 2.056 689 C HN 0.593 nan 8.230 nan 0.000 0.469 690 R N 0.178 120.813 120.500 0.224 0.000 2.113 690 R HA -0.146 7.549 4.340 5.591 0.000 0.244 690 R C 2.254 178.638 176.300 0.140 0.000 1.142 690 R CA 1.707 57.922 56.100 0.193 0.000 0.953 690 R CB -0.877 29.520 30.300 0.161 0.000 0.860 690 R HN 0.675 nan 8.270 nan 0.000 0.438 691 Q N 0.214 120.118 119.800 0.172 0.000 2.124 691 Q HA -0.084 7.610 4.340 5.591 0.000 0.202 691 Q C 2.185 178.358 176.000 0.289 0.000 0.977 691 Q CA 0.829 56.787 55.803 0.257 0.000 0.850 691 Q CB -0.342 28.587 28.738 0.319 0.000 0.901 691 Q HN 0.168 nan 8.270 nan 0.000 0.429 692 L N 1.272 122.545 121.223 0.082 0.000 2.046 692 L HA -0.185 7.509 4.340 5.591 0.000 0.208 692 L C 2.315 179.119 176.870 -0.110 0.000 1.077 692 L CA 1.710 56.400 54.840 -0.251 0.000 0.747 692 L CB -0.933 40.967 42.059 -0.266 0.000 0.896 692 L HN 0.279 nan 8.230 nan 0.000 0.432 693 Q N -1.255 118.533 119.800 -0.020 0.000 2.046 693 Q HA -0.229 7.466 4.340 5.591 0.000 0.200 693 Q C 2.129 178.142 176.000 0.023 0.000 0.975 693 Q CA 1.523 57.325 55.803 -0.003 0.000 0.836 693 Q CB -0.193 28.558 28.738 0.021 0.000 0.896 693 Q HN 0.607 nan 8.270 nan 0.000 0.428 694 Q N 0.101 119.937 119.800 0.060 0.000 2.170 694 Q HA -0.131 7.563 4.340 5.591 0.000 0.203 694 Q C 1.595 177.639 176.000 0.072 0.000 0.976 694 Q CA 0.727 56.568 55.803 0.064 0.000 0.858 694 Q CB 0.137 28.919 28.738 0.073 0.000 0.907 694 Q HN 0.279 nan 8.270 nan 0.000 0.433 695 Q N -0.161 119.705 119.800 0.110 0.000 2.365 695 Q HA 0.106 7.800 4.340 5.591 0.000 0.203 695 Q C 0.167 176.198 176.000 0.051 0.000 0.929 695 Q CA 0.105 55.986 55.803 0.130 0.000 0.948 695 Q CB 0.614 29.549 28.738 0.328 0.000 1.043 695 Q HN 0.217 nan 8.270 nan 0.000 0.505 696 S N 0.510 116.216 115.700 0.010 0.000 3.581 696 S HA -0.183 7.642 4.470 5.591 0.000 0.354 696 S C 1.042 175.613 174.600 -0.048 0.000 1.059 696 S CA 1.268 59.457 58.200 -0.018 0.000 1.060 696 S CB -0.730 62.469 63.200 -0.003 0.000 0.908 696 S HN 0.289 nan 8.310 nan 0.000 0.475 697 K N 0.693 121.029 120.400 -0.107 0.000 2.334 697 K HA 0.573 8.247 4.320 5.591 0.000 0.195 697 K C 0.372 176.874 176.600 -0.164 0.000 1.045 697 K CA 1.112 57.296 56.287 -0.171 0.000 1.004 697 K CB 0.561 32.844 32.500 -0.361 0.000 0.837 697 K HN 0.641 nan 8.250 nan 0.000 0.510 698 A N -0.713 122.019 122.820 -0.147 0.000 2.488 698 A HA 0.442 8.116 4.320 5.591 0.000 0.295 698 A C 0.261 177.791 177.584 -0.091 0.000 1.045 698 A CA -0.114 51.855 52.037 -0.113 0.000 0.703 698 A CB 1.143 20.069 19.000 -0.124 0.000 1.271 698 A HN 0.039 nan 8.150 nan 0.000 0.400 699 S N 1.985 117.636 115.700 -0.082 0.000 2.398 699 S HA 0.160 7.984 4.470 5.591 0.000 0.220 699 S C 0.627 175.179 174.600 -0.080 0.000 1.046 699 S CA 0.843 58.997 58.200 -0.077 0.000 0.953 699 S CB -0.156 62.998 63.200 -0.076 0.000 0.856 699 S HN 0.611 nan 8.310 nan 0.000 0.506 700 K N 1.324 121.659 120.400 -0.108 0.000 2.240 700 K HA 0.536 8.210 4.320 5.591 0.000 0.271 700 K C -1.212 175.407 176.600 0.032 0.000 1.018 700 K CA -0.217 56.005 56.287 -0.109 0.000 0.874 700 K CB 1.379 33.620 32.500 -0.431 0.000 1.098 700 K HN 0.396 nan 8.250 nan 0.000 0.458 701 I N 4.401 125.074 120.570 0.171 0.000 2.465 701 I HA 0.239 7.763 4.170 5.591 0.000 0.291 701 I C -0.846 175.374 176.117 0.173 0.000 1.014 701 I CA -1.247 60.111 61.300 0.098 0.000 1.093 701 I CB 1.617 39.572 38.000 -0.074 0.000 1.267 701 I HN 0.334 nan 8.210 nan 0.000 0.431 702 L N 8.159 129.458 121.223 0.127 0.000 2.295 702 L HA 0.595 8.290 4.340 5.591 0.000 0.285 702 L C -0.856 175.981 176.870 -0.056 0.000 1.035 702 L CA 0.044 54.890 54.840 0.010 0.000 0.806 702 L CB 1.027 43.115 42.059 0.049 0.000 1.214 702 L HN 0.389 nan 8.230 nan 0.000 0.426 703 I N 5.910 126.433 120.570 -0.078 0.000 2.389 703 I HA 0.384 7.908 4.170 5.591 0.000 0.288 703 I C -0.831 175.233 176.117 -0.088 0.000 0.999 703 I CA -0.860 60.420 61.300 -0.033 0.000 1.129 703 I CB 1.856 39.910 38.000 0.090 0.000 1.288 703 I HN 0.280 nan 8.210 nan 0.000 0.444 704 V N 4.986 124.823 119.914 -0.129 0.000 2.398 704 V HA 0.295 7.770 4.120 5.591 0.000 0.286 704 V C -0.352 175.635 176.094 -0.178 0.000 1.026 704 V CA -0.414 61.786 62.300 -0.166 0.000 0.868 704 V CB 1.830 33.610 31.823 -0.072 0.000 0.982 704 V HN 0.638 nan 8.190 nan 0.000 0.443 705 D N 4.735 125.051 120.400 -0.139 0.000 2.464 705 D HA 0.200 8.194 4.640 5.591 0.000 0.243 705 D C 0.112 176.512 176.300 0.166 0.000 1.104 705 D CA -0.676 53.306 54.000 -0.030 0.000 0.883 705 D CB 1.065 41.946 40.800 0.134 0.000 1.050 705 D HN 0.611 nan 8.370 nan 0.000 0.524 706 W N 3.246 124.658 121.300 0.187 0.000 3.330 706 W HA 0.359 5.277 4.660 0.430 0.000 0.348 706 W C 0.105 176.828 176.519 0.342 0.000 1.205 706 W CA -1.034 56.516 57.345 0.341 0.000 1.841 706 W CB -0.641 29.088 29.460 0.448 0.000 1.084 706 W HN 0.105 nan 8.180 nan 0.000 0.665 707 D N 1.217 121.873 120.400 0.428 0.000 2.399 707 D HA -0.089 7.905 4.640 5.591 0.000 0.241 707 D C 1.262 177.835 176.300 0.455 0.000 1.133 707 D CA 0.123 54.331 54.000 0.345 0.000 0.890 707 D CB 2.506 43.367 40.800 0.100 0.000 1.201 707 D HN 0.005 nan 8.370 nan 0.000 0.432 708 V N 3.710 123.824 119.914 0.333 0.000 2.720 708 V HA -0.179 7.295 4.120 5.591 0.000 0.256 708 V C 0.229 176.493 176.094 0.283 0.000 1.082 708 V CA 1.565 63.997 62.300 0.220 0.000 1.101 708 V CB -0.619 31.150 31.823 -0.090 0.000 0.693 708 V HN 0.498 nan 8.190 nan 0.000 0.479 709 H N -1.246 118.165 119.070 0.569 0.000 2.483 709 H HA 0.444 8.355 4.556 5.590 0.000 0.338 709 H C -0.077 175.496 175.328 0.408 0.000 1.152 709 H CA -0.575 55.809 56.048 0.560 0.000 1.264 709 H CB 0.525 30.648 29.762 0.601 0.000 1.510 709 H HN 0.373 nan 8.280 nan 0.000 0.530 710 H N 0.798 119.952 119.070 0.141 0.000 2.886 710 H HA 0.161 8.069 4.556 5.587 0.000 0.329 710 H C 0.664 175.850 175.328 -0.236 0.000 1.044 710 H CA -0.237 55.634 56.048 -0.295 0.000 1.456 710 H CB 0.544 29.883 29.762 -0.705 0.000 1.464 710 H HN 0.877 nan 8.280 nan 0.000 0.573 711 G N 4.148 112.556 108.800 -0.655 0.000 2.852 711 G HA2 -0.096 7.219 3.960 5.591 0.000 0.280 711 G HA3 -0.096 7.219 3.960 5.591 0.000 0.280 711 G C 0.816 175.198 174.900 -0.862 0.000 0.731 711 G CA -0.046 44.565 45.100 -0.815 0.000 2.037 711 G HN 0.984 nan 8.290 nan 0.000 0.560 712 N N 0.804 119.094 118.700 -0.683 0.000 2.205 712 N HA -0.102 7.992 4.740 5.591 0.000 0.186 712 N C 2.079 177.402 175.510 -0.312 0.000 1.015 712 N CA 1.342 54.164 53.050 -0.381 0.000 0.862 712 N CB 0.003 38.405 38.487 -0.142 0.000 0.986 712 N HN 0.307 nan 8.380 nan 0.000 0.429 713 G N -0.204 108.414 108.800 -0.304 0.000 2.396 713 G HA2 -0.161 7.154 3.960 5.591 0.000 0.214 713 G HA3 -0.161 7.154 3.960 5.591 0.000 0.214 713 G C 1.534 176.254 174.900 -0.299 0.000 1.166 713 G CA 1.055 46.014 45.100 -0.235 0.000 0.793 713 G HN 0.336 nan 8.290 nan 0.000 0.533 714 T N 0.589 114.930 114.554 -0.353 0.000 2.684 714 T HA -0.190 7.515 4.350 5.591 0.000 0.267 714 T C 2.260 176.650 174.700 -0.515 0.000 1.036 714 T CA 1.643 63.505 62.100 -0.396 0.000 1.148 714 T CB -0.280 68.300 68.868 -0.480 0.000 0.863 714 T HN 0.443 nan 8.240 nan 0.000 0.436 715 Q N 0.512 119.912 119.800 -0.668 0.000 2.061 715 Q HA -0.223 7.471 4.340 5.591 0.000 0.204 715 Q C 2.546 178.484 176.000 -0.104 0.000 0.984 715 Q CA 1.484 57.095 55.803 -0.320 0.000 0.846 715 Q CB -0.160 28.558 28.738 -0.033 0.000 0.902 715 Q HN 0.451 nan 8.270 nan 0.000 0.421 716 Q N -0.274 119.401 119.800 -0.210 0.000 2.050 716 Q HA -0.145 7.550 4.340 5.591 0.000 0.202 716 Q C 1.918 177.791 176.000 -0.212 0.000 0.980 716 Q CA 2.182 57.857 55.803 -0.213 0.000 0.840 716 Q CB -0.361 28.245 28.738 -0.219 0.000 0.898 716 Q HN 0.447 nan 8.270 nan 0.000 0.424 717 T N 0.567 114.908 114.554 -0.354 0.000 2.665 717 T HA -0.147 7.558 4.350 5.591 0.000 0.268 717 T C 0.969 175.329 174.700 -0.567 0.000 1.035 717 T CA 1.635 63.380 62.100 -0.591 0.000 1.151 717 T CB -0.265 68.021 68.868 -0.970 0.000 0.862 717 T HN 0.247 nan 8.240 nan 0.000 0.438 718 F N -0.868 119.048 119.950 -0.057 0.000 2.639 718 F HA 0.397 8.278 4.527 5.589 0.000 0.302 718 F C 1.382 177.209 175.800 0.045 0.000 1.097 718 F CA -1.575 56.411 58.000 -0.023 0.000 1.294 718 F CB -0.459 38.514 39.000 -0.045 0.000 1.027 718 F HN 0.031 nan 8.300 nan 0.000 0.550 719 Y N 1.419 121.739 120.300 0.032 0.000 2.139 719 Y HA -0.284 7.618 4.550 5.587 0.000 0.282 719 Y C 2.047 177.975 175.900 0.046 0.000 1.179 719 Y CA 2.012 60.135 58.100 0.037 0.000 1.161 719 Y CB -0.161 38.294 38.460 -0.010 0.000 0.970 719 Y HN 0.163 nan 8.280 nan 0.000 0.511 720 Q N -0.893 118.960 119.800 0.088 0.000 2.319 720 Q HA 0.018 7.712 4.340 5.591 0.000 0.202 720 Q C -0.326 175.672 176.000 -0.003 0.000 0.896 720 Q CA 0.149 55.963 55.803 0.017 0.000 0.942 720 Q CB 0.410 29.167 28.738 0.033 0.000 1.083 720 Q HN 0.240 nan 8.270 nan 0.000 0.510 721 D N 1.285 121.696 120.400 0.019 0.000 2.427 721 D HA 0.108 8.103 4.640 5.591 0.000 0.226 721 D C -1.824 174.378 176.300 -0.164 0.000 1.076 721 D CA -2.271 51.719 54.000 -0.017 0.000 0.849 721 D CB 1.581 42.441 40.800 0.100 0.000 1.052 721 D HN -0.086 nan 8.370 nan 0.000 0.515 722 P HA -0.050 nan 4.420 nan 0.000 0.236 722 P C 0.824 177.713 177.300 -0.685 0.000 1.177 722 P CA 0.348 62.854 63.100 -0.991 0.000 0.773 722 P CB 0.159 31.366 31.700 -0.822 0.000 0.878 723 S N -1.512 114.036 115.700 -0.253 0.000 2.603 723 S HA 0.108 7.932 4.470 5.591 0.000 0.220 723 S C 0.685 175.342 174.600 0.094 0.000 0.967 723 S CA -0.137 58.034 58.200 -0.048 0.000 0.920 723 S CB -0.658 62.508 63.200 -0.057 0.000 0.773 723 S HN -0.085 nan 8.310 nan 0.000 0.529 724 V N 2.246 122.126 119.914 -0.057 0.000 2.483 724 V HA 0.550 8.024 4.120 5.591 0.000 0.297 724 V C -0.924 175.025 176.094 -0.242 0.000 1.027 724 V CA -0.879 61.322 62.300 -0.166 0.000 0.855 724 V CB 1.636 33.190 31.823 -0.449 0.000 0.995 724 V HN 0.431 nan 8.190 nan 0.000 0.424 725 L N 6.074 127.029 121.223 -0.446 0.000 2.287 725 L HA 0.589 8.283 4.340 5.591 0.000 0.287 725 L C -1.201 175.555 176.870 -0.190 0.000 1.022 725 L CA -0.350 54.212 54.840 -0.462 0.000 0.814 725 L CB 1.091 42.506 42.059 -1.073 0.000 1.217 725 L HN 0.646 nan 8.230 nan 0.000 0.420 726 Y N 6.161 126.361 120.300 -0.166 0.000 2.328 726 Y HA 0.693 8.608 4.550 5.607 0.000 0.337 726 Y C -0.946 174.895 175.900 -0.098 0.000 0.966 726 Y CA -1.000 57.044 58.100 -0.093 0.000 1.136 726 Y CB 0.992 39.470 38.460 0.030 0.000 1.170 726 Y HN 0.563 nan 8.280 nan 0.000 0.470 727 I N 5.517 125.722 120.570 -0.609 0.000 2.410 727 I HA 0.300 7.825 4.170 5.591 0.000 0.286 727 I C -0.461 175.238 176.117 -0.697 0.000 1.009 727 I CA -0.679 60.275 61.300 -0.577 0.000 1.111 727 I CB 1.762 39.493 38.000 -0.448 0.000 1.262 727 I HN 0.509 nan 8.210 nan 0.000 0.443 728 S N 6.722 122.084 115.700 -0.563 0.000 2.475 728 S HA 0.753 8.577 4.470 5.591 0.000 0.298 728 S C -0.804 173.788 174.600 -0.014 0.000 1.119 728 S CA -0.506 57.573 58.200 -0.202 0.000 1.085 728 S CB 0.813 64.097 63.200 0.140 0.000 1.028 728 S HN 0.389 nan 8.310 nan 0.000 0.489 729 L N 5.965 127.248 121.223 0.101 0.000 2.287 729 L HA 0.612 8.306 4.340 5.591 0.000 0.287 729 L C -0.336 176.715 176.870 0.302 0.000 1.022 729 L CA -0.345 54.486 54.840 -0.015 0.000 0.814 729 L CB 1.193 43.285 42.059 0.056 0.000 1.217 729 L HN 0.851 nan 8.230 nan 0.000 0.420 730 H N -0.006 119.151 119.070 0.146 0.000 3.046 730 H HA 0.528 8.431 4.556 5.578 0.000 0.361 730 H C -0.699 174.908 175.328 0.465 0.000 1.235 730 H CA -1.226 55.048 56.048 0.376 0.000 1.146 730 H CB 0.968 30.965 29.762 0.392 0.000 1.859 730 H HN 0.463 nan 8.280 nan 0.000 0.548 731 R N 1.761 122.550 120.500 0.480 0.000 2.480 731 R HA -0.043 7.651 4.340 5.591 0.000 0.303 731 R C -0.182 176.399 176.300 0.468 0.000 0.985 731 R CA 0.415 56.684 56.100 0.281 0.000 1.051 731 R CB 0.042 30.024 30.300 -0.530 0.000 0.935 731 R HN 0.961 nan 8.270 nan 0.000 0.410 732 H N 2.857 122.109 119.070 0.303 0.000 2.926 732 H HA 0.013 7.922 4.556 5.589 0.000 0.249 732 H C -0.396 175.083 175.328 0.251 0.000 0.963 732 H CA 0.021 56.264 56.048 0.327 0.000 1.158 732 H CB 0.806 30.694 29.762 0.209 0.000 1.445 732 H HN 0.746 nan 8.280 nan 0.000 0.452 733 D N 3.006 123.542 120.400 0.226 0.000 2.859 733 D HA -0.202 7.792 4.640 5.591 0.000 0.214 733 D C -0.277 176.053 176.300 0.051 0.000 1.250 733 D CA 1.468 55.552 54.000 0.140 0.000 0.635 733 D CB -1.174 39.693 40.800 0.111 0.000 0.961 733 D HN 0.606 nan 8.370 nan 0.000 0.395 734 D N -1.804 118.640 120.400 0.073 0.000 3.041 734 D HA -0.191 7.803 4.640 5.591 0.000 0.220 734 D C 1.062 177.279 176.300 -0.138 0.000 1.157 734 D CA 1.454 55.483 54.000 0.047 0.000 0.876 734 D CB -1.387 39.462 40.800 0.082 0.000 1.107 734 D HN 0.805 nan 8.370 nan 0.000 0.422 735 G N 0.046 108.519 108.800 -0.544 0.000 2.131 735 G HA2 -0.263 7.051 3.960 5.591 0.000 0.201 735 G HA3 -0.263 7.051 3.960 5.591 0.000 0.201 735 G C 0.378 175.186 174.900 -0.154 0.000 1.000 735 G CA 0.185 45.056 45.100 -0.383 0.000 0.680 735 G HN 0.309 nan 8.290 nan 0.000 0.514 736 N N -0.800 117.852 118.700 -0.080 0.000 2.184 736 N HA 0.349 8.443 4.740 5.591 0.000 0.234 736 N C -0.666 174.962 175.510 0.197 0.000 1.282 736 N CA -0.156 52.925 53.050 0.052 0.000 0.877 736 N CB 0.478 39.006 38.487 0.068 0.000 1.184 736 N HN 0.372 nan 8.380 nan 0.000 0.510 737 F N 0.143 120.100 119.950 0.010 0.000 2.593 737 F HA 0.489 8.366 4.527 5.582 0.000 0.320 737 F C -0.556 175.339 175.800 0.158 0.000 1.060 737 F CA -1.737 56.332 58.000 0.116 0.000 0.940 737 F CB 0.980 40.062 39.000 0.136 0.000 1.268 737 F HN -0.139 nan 8.300 nan 0.000 0.475 738 F N 6.538 126.116 119.950 -0.621 0.000 2.529 738 F HA 0.314 8.191 4.527 5.584 0.000 0.365 738 F C -1.538 174.196 175.800 -0.111 0.000 1.102 738 F CA -1.424 56.344 58.000 -0.386 0.000 1.271 738 F CB 0.952 39.632 39.000 -0.533 0.000 1.120 738 F HN 0.285 nan 8.300 nan 0.000 0.579 739 P HA 0.197 nan 4.420 nan 0.000 0.262 739 P C 0.629 177.590 177.300 -0.566 0.000 1.304 739 P CA 0.998 63.247 63.100 -1.419 0.000 0.859 739 P CB 0.498 31.376 31.700 -1.370 0.000 1.310 740 G N 0.167 108.820 108.800 -0.245 0.000 2.175 740 G HA2 -0.232 7.082 3.960 5.591 0.000 0.244 740 G HA3 -0.232 7.082 3.960 5.591 0.000 0.244 740 G C 0.324 175.195 174.900 -0.047 0.000 0.982 740 G CA 0.322 45.342 45.100 -0.132 0.000 0.641 740 G HN 0.588 nan 8.290 nan 0.000 0.527 741 S N -0.807 114.880 115.700 -0.022 0.000 2.745 741 S HA 0.749 8.573 4.470 5.591 0.000 0.292 741 S C 1.107 175.604 174.600 -0.171 0.000 1.133 741 S CA 0.214 58.411 58.200 -0.005 0.000 0.998 741 S CB 1.905 65.133 63.200 0.047 0.000 1.087 741 S HN 2.194 nan 8.310 nan 0.000 0.551 742 G N -0.605 107.931 108.800 -0.440 0.000 2.325 742 G HA2 0.228 7.542 3.960 5.591 0.000 0.248 742 G HA3 0.228 7.542 3.960 5.591 0.000 0.248 742 G C 0.110 174.795 174.900 -0.358 0.000 1.108 742 G CA -0.344 44.214 45.100 -0.904 0.000 0.881 742 G HN 1.342 nan 8.290 nan 0.000 0.494 743 A N -0.508 122.153 122.820 -0.266 0.000 2.371 743 A HA 0.736 8.410 4.320 5.591 0.000 0.257 743 A C 1.766 179.241 177.584 -0.181 0.000 1.089 743 A CA 0.427 52.252 52.037 -0.352 0.000 0.794 743 A CB 0.807 19.766 19.000 -0.068 0.000 1.029 743 A HN 1.162 nan 8.150 nan 0.000 0.488 744 V N 1.729 121.533 119.914 -0.184 0.000 2.363 744 V HA -0.306 7.168 4.120 5.591 0.000 0.254 744 V C 1.769 177.864 176.094 0.002 0.000 1.074 744 V CA 2.732 64.988 62.300 -0.074 0.000 1.069 744 V CB -1.079 30.701 31.823 -0.071 0.000 0.659 744 V HN 0.944 nan 8.190 nan 0.000 0.455 745 D N -0.476 119.922 120.400 -0.003 0.000 2.310 745 D HA -0.078 7.917 4.640 5.591 0.000 0.212 745 D C 0.946 177.282 176.300 0.059 0.000 0.965 745 D CA 0.563 54.574 54.000 0.019 0.000 0.879 745 D CB -0.207 40.607 40.800 0.024 0.000 0.921 745 D HN 0.573 nan 8.370 nan 0.000 0.510 746 E N 0.551 120.807 120.200 0.093 0.000 1.932 746 E HA 0.118 7.822 4.350 5.591 0.000 0.275 746 E C 0.789 177.527 176.600 0.230 0.000 1.159 746 E CA -0.254 56.272 56.400 0.210 0.000 0.905 746 E CB 1.041 30.859 29.700 0.196 0.000 1.059 746 E HN 0.118 nan 8.360 nan 0.000 0.400 747 V N 0.669 120.645 119.914 0.102 0.000 3.621 747 V HA 0.460 7.935 4.120 5.591 0.000 0.285 747 V C 0.731 176.646 176.094 -0.298 0.000 1.346 747 V CA 0.406 62.675 62.300 -0.052 0.000 1.104 747 V CB -0.311 31.373 31.823 -0.232 0.000 0.913 747 V HN 0.655 nan 8.190 nan 0.000 0.432 748 G N -0.504 107.837 108.800 -0.765 0.000 2.541 748 G HA2 0.510 7.824 3.960 5.591 0.000 0.686 748 G HA3 0.510 7.824 3.960 5.591 0.000 0.686 748 G C -0.575 173.816 174.900 -0.848 0.000 1.286 748 G CA -0.172 44.136 45.100 -1.320 0.000 0.894 748 G HN 1.786 nan 8.290 nan 0.000 0.575 749 A N -0.883 121.604 122.820 -0.554 0.000 2.594 749 A HA 1.234 8.908 4.320 5.591 0.000 0.291 749 A C 1.312 178.851 177.584 -0.075 0.000 1.105 749 A CA 1.321 53.263 52.037 -0.158 0.000 0.694 749 A CB 0.962 19.998 19.000 0.059 0.000 1.291 749 A HN 3.080 nan 8.150 nan 0.000 0.410 750 G N 0.371 109.158 108.800 -0.021 0.000 2.574 750 G HA2 -0.199 7.115 3.960 5.591 0.000 0.286 750 G HA3 -0.199 7.115 3.960 5.591 0.000 0.286 750 G C 1.190 176.087 174.900 -0.005 0.000 1.212 750 G CA 0.869 45.965 45.100 -0.005 0.000 0.979 750 G HN 1.707 nan 8.290 nan 0.000 0.557 751 S N 1.027 116.727 115.700 -0.000 0.000 2.507 751 S HA 0.112 7.936 4.470 5.591 0.000 0.235 751 S C 2.139 176.767 174.600 0.046 0.000 0.988 751 S CA 1.651 59.860 58.200 0.015 0.000 0.944 751 S CB -0.200 62.992 63.200 -0.013 0.000 0.762 751 S HN 1.560 nan 8.310 nan 0.000 0.526 752 G N 0.683 109.491 108.800 0.013 0.000 3.141 752 G HA2 0.101 7.415 3.960 5.591 0.000 0.218 752 G HA3 0.101 7.415 3.960 5.591 0.000 0.218 752 G C 0.051 174.986 174.900 0.058 0.000 1.170 752 G CA -0.391 44.747 45.100 0.063 0.000 0.769 752 G HN 0.395 nan 8.290 nan 0.000 0.546 753 E N 0.184 120.335 120.200 -0.081 0.000 2.480 753 E HA 0.319 8.023 4.350 5.591 0.000 0.258 753 E C 1.397 177.519 176.600 -0.796 0.000 0.984 753 E CA 0.736 56.904 56.400 -0.387 0.000 0.930 753 E CB 0.313 29.855 29.700 -0.264 0.000 0.936 753 E HN 0.278 nan 8.360 nan 0.000 0.466 754 G N 3.536 111.670 108.800 -1.109 0.000 2.225 754 G HA2 -0.312 7.002 3.960 5.591 0.000 0.254 754 G HA3 -0.312 7.002 3.960 5.591 0.000 0.254 754 G C 0.430 175.181 174.900 -0.249 0.000 0.988 754 G CA 0.097 44.611 45.100 -0.978 0.000 0.625 754 G HN 0.583 nan 8.290 nan 0.000 0.527 755 F N 1.454 121.357 119.950 -0.078 0.000 2.645 755 F HA 0.370 8.249 4.527 5.586 0.000 0.300 755 F C 1.129 176.927 175.800 -0.003 0.000 1.115 755 F CA 0.016 58.035 58.000 0.031 0.000 1.355 755 F CB 0.527 39.497 39.000 -0.049 0.000 1.026 755 F HN 0.151 nan 8.300 nan 0.000 0.536 756 N N 1.085 119.873 118.700 0.147 0.000 2.491 756 N HA 0.313 8.407 4.740 5.591 0.000 0.274 756 N C -1.704 173.895 175.510 0.148 0.000 1.023 756 N CA -0.000 53.160 53.050 0.184 0.000 0.902 756 N CB 1.820 40.428 38.487 0.201 0.000 1.267 756 N HN -0.193 nan 8.380 nan 0.000 0.503 757 V N 3.664 123.555 119.914 -0.039 0.000 2.350 757 V HA 0.352 7.826 4.120 5.591 0.000 0.285 757 V C -0.262 175.747 176.094 -0.142 0.000 1.014 757 V CA -0.974 61.179 62.300 -0.244 0.000 0.831 757 V CB 1.091 32.550 31.823 -0.606 0.000 1.000 757 V HN 0.555 nan 8.190 nan 0.000 0.433 758 N N 3.565 122.246 118.700 -0.031 0.000 2.485 758 N HA 0.278 8.372 4.740 5.591 0.000 0.243 758 N C -0.309 175.045 175.510 -0.260 0.000 0.987 758 N CA -0.239 52.791 53.050 -0.033 0.000 0.940 758 N CB 2.029 40.557 38.487 0.070 0.000 1.122 758 N HN 0.429 nan 8.380 nan 0.000 0.509 759 V N 1.989 121.652 119.914 -0.418 0.000 2.229 759 V HA 0.191 7.665 4.120 5.591 0.000 0.245 759 V C 0.737 176.271 176.094 -0.933 0.000 1.243 759 V CA -0.708 61.185 62.300 -0.678 0.000 1.176 759 V CB -0.505 30.826 31.823 -0.820 0.000 1.323 759 V HN 0.593 nan 8.190 nan 0.000 0.499 760 A N 5.385 127.768 122.820 -0.729 0.000 2.415 760 A HA 0.412 8.086 4.320 5.591 0.000 0.309 760 A C -0.251 177.153 177.584 -0.299 0.000 1.356 760 A CA -0.541 51.084 52.037 -0.688 0.000 0.998 760 A CB -0.155 18.485 19.000 -0.601 0.000 1.145 760 A HN 0.816 nan 8.150 nan 0.000 0.545 761 W N 2.563 123.802 121.300 -0.103 0.000 2.469 761 W HA 0.412 8.405 4.660 5.555 0.000 0.321 761 W C 0.646 177.226 176.519 0.102 0.000 1.415 761 W CA 0.095 57.454 57.345 0.024 0.000 1.308 761 W CB 0.702 30.242 29.460 0.133 0.000 1.368 761 W HN 0.809 nan 8.180 nan 0.000 0.546 762 A N 2.526 125.548 122.820 0.337 0.000 2.313 762 A HA 0.846 8.520 4.320 5.591 0.000 0.323 762 A C 0.780 178.469 177.584 0.176 0.000 1.133 762 A CA -0.143 52.037 52.037 0.238 0.000 0.847 762 A CB 1.131 20.244 19.000 0.189 0.000 1.308 762 A HN 1.359 nan 8.150 nan 0.000 0.475 763 G N -0.852 108.026 108.800 0.131 0.000 2.149 763 G HA2 0.316 7.630 3.960 5.591 0.000 0.235 763 G HA3 0.316 7.630 3.960 5.591 0.000 0.235 763 G C 1.660 176.604 174.900 0.073 0.000 1.018 763 G CA 0.739 45.891 45.100 0.088 0.000 0.728 763 G HN 2.998 nan 8.290 nan 0.000 0.508 764 G N -1.117 107.739 108.800 0.093 0.000 2.601 764 G HA2 -0.142 7.172 3.960 5.591 0.000 0.252 764 G HA3 -0.142 7.172 3.960 5.591 0.000 0.252 764 G C 0.844 175.791 174.900 0.079 0.000 1.294 764 G CA 0.164 45.313 45.100 0.082 0.000 0.912 764 G HN 1.178 nan 8.290 nan 0.000 0.574 765 L N 0.004 121.273 121.223 0.078 0.000 2.585 765 L HA 0.330 8.024 4.340 5.591 0.000 0.226 765 L C 0.776 177.678 176.870 0.054 0.000 1.113 765 L CA 0.721 55.617 54.840 0.094 0.000 0.876 765 L CB 0.052 42.188 42.059 0.128 0.000 1.072 765 L HN 0.542 nan 8.230 nan 0.000 0.468 766 D N 0.475 120.890 120.400 0.025 0.000 2.593 766 D HA 0.376 8.370 4.640 5.591 0.000 0.251 766 D C -2.398 173.890 176.300 -0.019 0.000 1.140 766 D CA -1.632 52.369 54.000 0.001 0.000 0.855 766 D CB 2.112 42.920 40.800 0.013 0.000 1.267 766 D HN -0.184 nan 8.370 nan 0.000 0.532 767 P HA 0.245 nan 4.420 nan 0.000 0.272 767 P C -2.530 174.716 177.300 -0.090 0.000 1.240 767 P CA -1.114 61.946 63.100 -0.067 0.000 0.791 767 P CB -0.112 31.541 31.700 -0.077 0.000 0.978 768 P HA 0.013 nan 4.420 nan 0.000 0.266 768 P C -0.472 176.741 177.300 -0.144 0.000 1.195 768 P CA 0.533 63.575 63.100 -0.097 0.000 0.768 768 P CB 0.223 31.727 31.700 -0.327 0.000 0.838 769 M N 2.502 121.978 119.600 -0.207 0.000 2.108 769 M HA 0.480 8.315 4.480 5.591 0.000 0.354 769 M C 0.895 176.953 176.300 -0.404 0.000 1.229 769 M CA 0.341 55.268 55.300 -0.622 0.000 1.081 769 M CB 0.548 32.175 32.600 -1.622 0.000 1.606 769 M HN 0.631 nan 8.290 nan 0.000 0.467 770 G N 2.631 111.253 108.800 -0.296 0.000 2.677 770 G HA2 0.320 7.634 3.960 5.591 0.000 0.283 770 G HA3 0.320 7.634 3.960 5.591 0.000 0.283 770 G C -0.150 174.666 174.900 -0.140 0.000 1.221 770 G CA -0.426 44.572 45.100 -0.170 0.000 0.851 770 G HN 0.429 nan 8.290 nan 0.000 0.504 771 D N 0.621 120.943 120.400 -0.131 0.000 2.106 771 D HA -0.055 7.940 4.640 5.591 0.000 0.191 771 D C -0.383 175.762 176.300 -0.259 0.000 0.997 771 D CA 1.779 55.648 54.000 -0.218 0.000 0.834 771 D CB -1.234 39.492 40.800 -0.123 0.000 0.956 771 D HN 0.133 nan 8.370 nan 0.000 0.448 772 P HA -0.143 nan 4.420 nan 0.000 0.216 772 P C 1.221 178.447 177.300 -0.123 0.000 1.157 772 P CA 1.581 64.594 63.100 -0.145 0.000 0.880 772 P CB 0.002 31.655 31.700 -0.079 0.000 0.791 773 E N -1.742 118.372 120.200 -0.143 0.000 2.085 773 E HA -0.205 7.499 4.350 5.591 0.000 0.194 773 E C 1.992 178.576 176.600 -0.026 0.000 0.994 773 E CA 1.452 57.728 56.400 -0.206 0.000 0.801 773 E CB -1.180 28.169 29.700 -0.584 0.000 0.743 773 E HN 0.408 nan 8.360 nan 0.000 0.453 774 Y N -0.220 120.011 120.300 -0.115 0.000 2.337 774 Y HA 0.054 7.906 4.550 5.505 0.000 0.293 774 Y C 1.937 177.810 175.900 -0.045 0.000 1.123 774 Y CA 0.626 58.735 58.100 0.015 0.000 1.201 774 Y CB -0.081 38.277 38.460 -0.170 0.000 1.011 774 Y HN -0.019 nan 8.280 nan 0.000 0.545 775 L N -1.319 119.854 121.223 -0.082 0.000 2.179 775 L HA -0.095 7.600 4.340 5.591 0.000 0.208 775 L C 2.558 179.421 176.870 -0.012 0.000 1.096 775 L CA 1.007 55.756 54.840 -0.152 0.000 0.779 775 L CB -0.692 41.158 42.059 -0.349 0.000 0.922 775 L HN 0.125 nan 8.230 nan 0.000 0.443 776 A N 0.092 122.916 122.820 0.007 0.000 1.929 776 A HA -0.055 7.619 4.320 5.591 0.000 0.216 776 A C 2.533 180.161 177.584 0.073 0.000 1.176 776 A CA 1.434 53.494 52.037 0.038 0.000 0.628 776 A CB -0.582 18.438 19.000 0.034 0.000 0.816 776 A HN 0.350 nan 8.150 nan 0.000 0.444 777 A N -1.053 121.846 122.820 0.132 0.000 1.930 777 A HA 0.028 7.703 4.320 5.591 0.000 0.217 777 A C 1.901 179.510 177.584 0.043 0.000 1.175 777 A CA 1.407 53.481 52.037 0.063 0.000 0.627 777 A CB -0.699 18.316 19.000 0.025 0.000 0.815 777 A HN 0.415 nan 8.150 nan 0.000 0.443 778 F N 0.128 120.025 119.950 -0.089 0.000 2.069 778 F HA -0.152 7.666 4.527 5.484 0.000 0.298 778 F C 2.599 178.339 175.800 -0.101 0.000 1.113 778 F CA 1.831 59.771 58.000 -0.100 0.000 1.214 778 F CB -0.440 38.495 39.000 -0.110 0.000 0.978 778 F HN 0.125 nan 8.300 nan 0.000 0.474 779 R N -0.151 120.397 120.500 0.081 0.000 2.081 779 R HA -0.138 7.556 4.340 5.591 0.000 0.235 779 R C 2.186 178.468 176.300 -0.030 0.000 1.131 779 R CA 1.773 57.883 56.100 0.018 0.000 0.960 779 R CB -0.474 29.839 30.300 0.023 0.000 0.856 779 R HN 0.328 nan 8.270 nan 0.000 0.436 780 I N -0.713 119.831 120.570 -0.043 0.000 2.494 780 I HA -0.120 7.405 4.170 5.591 0.000 0.250 780 I C 1.883 177.924 176.117 -0.126 0.000 1.112 780 I CA 0.722 61.982 61.300 -0.066 0.000 1.438 780 I CB 0.161 38.134 38.000 -0.045 0.000 1.111 780 I HN -0.056 nan 8.210 nan 0.000 0.431 781 V N -0.409 119.395 119.914 -0.184 0.000 2.721 781 V HA 0.005 7.479 4.120 5.591 0.000 0.236 781 V C 2.115 177.985 176.094 -0.373 0.000 1.116 781 V CA 0.542 62.674 62.300 -0.279 0.000 1.148 781 V CB 0.436 32.074 31.823 -0.310 0.000 0.886 781 V HN 0.065 nan 8.190 nan 0.000 0.490 782 V N -0.055 119.599 119.914 -0.433 0.000 2.379 782 V HA -0.199 7.275 4.120 5.591 0.000 0.245 782 V C 2.503 178.298 176.094 -0.498 0.000 1.044 782 V CA 1.746 63.696 62.300 -0.584 0.000 1.036 782 V CB -0.507 30.721 31.823 -0.990 0.000 0.664 782 V HN 0.369 nan 8.190 nan 0.000 0.453 783 M N -0.853 118.508 119.600 -0.399 0.000 2.193 783 M HA 0.019 7.853 4.480 5.591 0.000 0.265 783 M C 0.088 176.278 176.300 -0.183 0.000 1.071 783 M CA 1.584 56.740 55.300 -0.240 0.000 1.140 783 M CB -2.392 30.139 32.600 -0.114 0.000 1.369 783 M HN 0.232 nan 8.290 nan 0.000 0.423 784 P HA -0.120 nan 4.420 nan 0.000 0.214 784 P C 1.800 178.976 177.300 -0.207 0.000 1.163 784 P CA 1.380 64.393 63.100 -0.146 0.000 0.889 784 P CB -0.151 31.470 31.700 -0.132 0.000 0.790 785 I N -0.760 119.582 120.570 -0.381 0.000 2.208 785 I HA -0.293 7.231 4.170 5.591 0.000 0.245 785 I C 2.327 178.174 176.117 -0.450 0.000 1.097 785 I CA 1.706 62.607 61.300 -0.664 0.000 1.363 785 I CB -0.871 36.479 38.000 -1.085 0.000 1.051 785 I HN -0.083 nan 8.210 nan 0.000 0.413 786 A N 0.696 123.333 122.820 -0.304 0.000 1.933 786 A HA -0.176 7.498 4.320 5.591 0.000 0.218 786 A C 2.405 180.001 177.584 0.020 0.000 1.175 786 A CA 1.339 53.304 52.037 -0.120 0.000 0.628 786 A CB -0.507 18.412 19.000 -0.135 0.000 0.814 786 A HN 0.323 nan 8.150 nan 0.000 0.444 787 R N -0.752 119.735 120.500 -0.022 0.000 2.092 787 R HA -0.105 7.590 4.340 5.591 0.000 0.231 787 R C 2.176 178.525 176.300 0.082 0.000 1.119 787 R CA 1.398 57.514 56.100 0.027 0.000 0.970 787 R CB -0.250 30.053 30.300 0.005 0.000 0.864 787 R HN 0.701 nan 8.270 nan 0.000 0.440 788 E N -0.092 120.173 120.200 0.109 0.000 2.107 788 E HA -0.166 7.539 4.350 5.591 0.000 0.191 788 E C 1.581 178.411 176.600 0.384 0.000 0.982 788 E CA 0.660 57.202 56.400 0.235 0.000 0.809 788 E CB 0.014 29.904 29.700 0.316 0.000 0.756 788 E HN 0.144 nan 8.360 nan 0.000 0.459 789 F N 1.390 121.485 119.950 0.242 0.000 2.134 789 F HA -0.088 7.795 4.527 5.592 0.000 0.299 789 F C 1.102 176.992 175.800 0.149 0.000 1.097 789 F CA 1.583 59.756 58.000 0.288 0.000 1.264 789 F CB -0.065 39.067 39.000 0.220 0.000 1.001 789 F HN -0.156 nan 8.300 nan 0.000 0.479 790 S N 0.855 116.612 115.700 0.095 0.000 3.625 790 S HA -0.118 7.707 4.470 5.591 0.000 0.426 790 S C -2.431 172.067 174.600 -0.170 0.000 0.884 790 S CA -0.009 58.169 58.200 -0.037 0.000 1.322 790 S CB -1.428 61.743 63.200 -0.048 0.000 0.905 790 S HN 0.260 nan 8.310 nan 0.000 0.586 791 P HA 0.292 nan 4.420 nan 0.000 0.272 791 P C 0.456 177.725 177.300 -0.053 0.000 1.223 791 P CA -0.208 62.865 63.100 -0.044 0.000 0.784 791 P CB 0.459 32.254 31.700 0.159 0.000 0.923 792 D N 0.347 120.707 120.400 -0.067 0.000 2.333 792 D HA 0.103 8.097 4.640 5.591 0.000 0.208 792 D C 0.579 176.866 176.300 -0.022 0.000 0.984 792 D CA 0.883 54.854 54.000 -0.047 0.000 0.873 792 D CB 0.413 41.173 40.800 -0.067 0.000 0.935 792 D HN 0.207 nan 8.370 nan 0.000 0.521 793 L N 0.067 121.285 121.223 -0.008 0.000 2.556 793 L HA 0.312 8.006 4.340 5.591 0.000 0.257 793 L C -1.921 174.954 176.870 0.008 0.000 0.955 793 L CA -0.646 54.190 54.840 -0.007 0.000 0.850 793 L CB 2.557 44.592 42.059 -0.040 0.000 1.398 793 L HN -0.369 nan 8.230 nan 0.000 0.412 794 V N 4.907 124.825 119.914 0.007 0.000 2.487 794 V HA 0.523 7.998 4.120 5.591 0.000 0.298 794 V C -0.381 175.698 176.094 -0.024 0.000 1.028 794 V CA -0.426 61.875 62.300 0.002 0.000 0.860 794 V CB 1.616 33.454 31.823 0.024 0.000 0.991 794 V HN 0.562 nan 8.190 nan 0.000 0.427 795 L N 4.936 126.129 121.223 -0.050 0.000 2.329 795 L HA 0.701 8.396 4.340 5.591 0.000 0.279 795 L C -0.705 176.089 176.870 -0.127 0.000 1.014 795 L CA -0.800 53.995 54.840 -0.075 0.000 0.814 795 L CB 2.174 44.196 42.059 -0.061 0.000 1.257 795 L HN 0.360 nan 8.230 nan 0.000 0.424 796 V N 1.555 121.345 119.914 -0.206 0.000 2.409 796 V HA 0.235 7.710 4.120 5.591 0.000 0.291 796 V C 0.158 176.001 176.094 -0.419 0.000 1.020 796 V CA -0.487 61.585 62.300 -0.379 0.000 0.848 796 V CB 1.747 33.226 31.823 -0.574 0.000 0.990 796 V HN 0.739 nan 8.190 nan 0.000 0.430 797 S N 4.227 119.702 115.700 -0.376 0.000 2.700 797 S HA 0.361 8.185 4.470 5.591 0.000 0.321 797 S C 0.635 174.864 174.600 -0.618 0.000 1.161 797 S CA -0.227 57.753 58.200 -0.367 0.000 1.078 797 S CB 0.148 63.229 63.200 -0.197 0.000 1.302 797 S HN 0.926 nan 8.310 nan 0.000 0.540 798 A N 3.995 126.403 122.820 -0.687 0.000 3.015 798 A HA 0.575 8.250 4.320 5.591 0.000 0.293 798 A C 0.851 177.951 177.584 -0.807 0.000 1.572 798 A CA -0.576 50.930 52.037 -0.884 0.000 1.274 798 A CB -0.328 18.278 19.000 -0.657 0.000 1.156 798 A HN 0.706 nan 8.150 nan 0.000 0.562 799 G N -0.512 107.956 108.800 -0.553 0.000 2.448 799 G HA2 0.502 7.817 3.960 5.591 0.000 0.285 799 G HA3 0.502 7.817 3.960 5.591 0.000 0.285 799 G C -0.278 174.344 174.900 -0.464 0.000 1.176 799 G CA -0.402 44.466 45.100 -0.387 0.000 0.852 799 G HN 0.522 nan 8.290 nan 0.000 0.530 800 F N -0.142 119.827 119.950 0.032 0.000 2.805 800 F HA 0.166 8.054 4.527 5.601 0.000 0.317 800 F C 0.877 176.597 175.800 -0.132 0.000 1.146 800 F CA -0.665 57.238 58.000 -0.162 0.000 1.265 800 F CB 1.051 39.906 39.000 -0.241 0.000 0.992 800 F HN 0.447 nan 8.300 nan 0.000 0.511 801 D N -0.038 120.326 120.400 -0.060 0.000 2.349 801 D HA 0.019 8.014 4.640 5.591 0.000 0.224 801 D C 1.722 177.866 176.300 -0.259 0.000 1.029 801 D CA 0.405 54.093 54.000 -0.520 0.000 0.879 801 D CB -0.103 40.596 40.800 -0.169 0.000 0.906 801 D HN 0.226 nan 8.370 nan 0.000 0.528 802 A N 0.186 123.056 122.820 0.084 0.000 2.178 802 A HA 0.490 8.165 4.320 5.591 0.000 0.211 802 A C 1.442 179.164 177.584 0.230 0.000 1.157 802 A CA 0.242 52.371 52.037 0.154 0.000 0.780 802 A CB -0.353 18.767 19.000 0.200 0.000 0.828 802 A HN 0.319 nan 8.150 nan 0.000 0.476 803 A N 0.453 123.495 122.820 0.371 0.000 2.466 803 A HA 0.366 8.041 4.320 5.591 0.000 0.238 803 A C 0.322 178.103 177.584 0.328 0.000 1.074 803 A CA -0.103 52.190 52.037 0.427 0.000 0.774 803 A CB -0.057 19.207 19.000 0.440 0.000 1.015 803 A HN 0.386 nan 8.150 nan 0.000 0.498 804 E N 0.303 120.629 120.200 0.210 0.000 2.417 804 E HA 0.381 8.085 4.350 5.591 0.000 0.261 804 E C 1.022 177.682 176.600 0.100 0.000 1.000 804 E CA 1.548 58.032 56.400 0.140 0.000 0.919 804 E CB -0.006 29.784 29.700 0.150 0.000 0.955 804 E HN 1.502 nan 8.360 nan 0.000 0.455 805 G N 4.005 112.824 108.800 0.032 0.000 2.205 805 G HA2 -0.184 7.130 3.960 5.591 0.000 0.180 805 G HA3 -0.184 7.130 3.960 5.591 0.000 0.180 805 G C -0.551 174.153 174.900 -0.326 0.000 1.004 805 G CA -0.107 44.919 45.100 -0.123 0.000 0.670 805 G HN 0.631 nan 8.290 nan 0.000 0.496 806 H N 2.031 121.097 119.070 -0.007 0.000 2.638 806 H HA 0.480 8.396 4.556 5.600 0.000 0.303 806 H C -2.185 173.160 175.328 0.028 0.000 1.034 806 H CA -1.356 54.692 56.048 0.001 0.000 1.225 806 H CB 1.868 31.649 29.762 0.031 0.000 1.394 806 H HN 0.168 nan 8.280 nan 0.000 0.477 807 P HA 0.077 nan 4.420 nan 0.000 0.272 807 P C -0.199 177.193 177.300 0.154 0.000 1.230 807 P CA -0.506 62.663 63.100 0.114 0.000 0.788 807 P CB 0.831 32.593 31.700 0.103 0.000 0.949 808 A N 3.797 126.696 122.820 0.133 0.000 2.566 808 A HA 0.197 7.872 4.320 5.591 0.000 0.245 808 A C -1.472 176.221 177.584 0.182 0.000 1.056 808 A CA -0.301 51.829 52.037 0.155 0.000 0.757 808 A CB -1.275 17.800 19.000 0.125 0.000 0.979 808 A HN 0.467 nan 8.150 nan 0.000 0.508 809 P HA 0.416 nan 4.420 nan 0.000 0.216 809 P C 0.347 177.902 177.300 0.424 0.000 1.866 809 P CA -0.144 63.182 63.100 0.377 0.000 1.054 809 P CB 0.370 32.319 31.700 0.414 0.000 1.821 810 L N -0.406 121.038 121.223 0.369 0.000 2.554 810 L HA 0.559 8.253 4.340 5.591 0.000 0.226 810 L C 1.442 178.562 176.870 0.416 0.000 1.137 810 L CA 1.634 56.736 54.840 0.437 0.000 0.863 810 L CB -1.107 41.238 42.059 0.476 0.000 0.985 810 L HN 0.443 nan 8.230 nan 0.000 0.451 811 G N -3.149 105.854 108.800 0.339 0.000 3.400 811 G HA2 0.407 7.721 3.960 5.591 0.000 0.111 811 G HA3 0.407 7.721 3.960 5.591 0.000 0.111 811 G C 1.303 176.139 174.900 -0.106 0.000 2.370 811 G CA 0.818 45.941 45.100 0.038 0.000 1.153 811 G HN 1.920 nan 8.290 nan 0.000 0.329 812 G N 0.108 108.923 108.800 0.024 0.000 2.198 812 G HA2 -0.231 7.083 3.960 5.591 0.000 0.257 812 G HA3 -0.231 7.083 3.960 5.591 0.000 0.257 812 G C 0.114 175.017 174.900 0.006 0.000 1.042 812 G CA 0.914 46.016 45.100 0.004 0.000 0.791 812 G HN 1.076 nan 8.290 nan 0.000 0.502 813 Y N -1.782 118.323 120.300 -0.324 0.000 2.650 813 Y HA 0.636 8.529 4.550 5.573 0.000 0.331 813 Y C 1.151 176.732 175.900 -0.532 0.000 1.082 813 Y CA -1.363 56.505 58.100 -0.386 0.000 1.171 813 Y CB 1.728 40.081 38.460 -0.178 0.000 1.326 813 Y HN 0.207 nan 8.280 nan 0.000 0.513 814 H N 0.297 119.407 119.070 0.067 0.000 2.637 814 H HA 0.199 8.109 4.556 5.591 0.000 0.245 814 H C -0.902 174.401 175.328 -0.042 0.000 1.190 814 H CA -0.005 56.052 56.048 0.015 0.000 0.934 814 H CB 0.385 30.129 29.762 -0.029 0.000 1.950 814 H HN 0.168 nan 8.280 nan 0.000 0.614 815 V N 2.855 122.743 119.914 -0.043 0.000 2.508 815 V HA 0.033 7.508 4.120 5.591 0.000 0.281 815 V C 1.110 177.175 176.094 -0.048 0.000 1.041 815 V CA -0.166 61.993 62.300 -0.234 0.000 1.016 815 V CB 1.107 32.513 31.823 -0.695 0.000 0.984 815 V HN 0.474 nan 8.190 nan 0.000 0.478 816 S N 4.733 120.419 115.700 -0.023 0.000 2.632 816 S HA 0.509 8.333 4.470 5.591 0.000 0.267 816 S C 1.395 176.083 174.600 0.147 0.000 1.276 816 S CA -0.004 58.252 58.200 0.093 0.000 0.998 816 S CB 1.605 64.879 63.200 0.123 0.000 0.953 816 S HN 1.014 nan 8.310 nan 0.000 0.547 817 A N 1.950 124.883 122.820 0.190 0.000 1.908 817 A HA -0.127 7.547 4.320 5.591 0.000 0.218 817 A C 2.207 179.897 177.584 0.176 0.000 1.181 817 A CA 1.920 54.076 52.037 0.199 0.000 0.627 817 A CB -1.006 18.035 19.000 0.068 0.000 0.818 817 A HN 0.948 nan 8.150 nan 0.000 0.445 818 K N -0.873 119.611 120.400 0.140 0.000 2.057 818 K HA -0.180 7.494 4.320 5.591 0.000 0.207 818 K C 2.194 178.991 176.600 0.329 0.000 1.049 818 K CA 1.409 57.794 56.287 0.165 0.000 0.931 818 K CB -0.473 32.053 32.500 0.044 0.000 0.714 818 K HN 0.571 nan 8.250 nan 0.000 0.440 819 C N 0.456 119.956 119.300 0.334 0.000 2.418 819 C HA -0.168 7.647 4.460 5.591 0.000 0.280 819 C C 2.327 177.211 174.990 -0.175 0.000 1.223 819 C CA 0.979 60.022 59.018 0.042 0.000 1.736 819 C CB -1.260 26.335 27.740 -0.241 0.000 2.056 819 C HN 0.538 nan 8.230 nan 0.000 0.459 820 F N 1.542 121.390 119.950 -0.170 0.000 2.085 820 F HA -0.108 7.651 4.527 5.386 0.000 0.299 820 F C 2.594 178.315 175.800 -0.133 0.000 1.096 820 F CA 2.131 59.941 58.000 -0.317 0.000 1.227 820 F CB -1.397 37.533 39.000 -0.117 0.000 0.983 820 F HN 0.390 nan 8.300 nan 0.000 0.482 821 G N -2.188 106.742 108.800 0.217 0.000 2.462 821 G HA2 -0.326 6.988 3.960 5.591 0.000 0.220 821 G HA3 -0.326 6.988 3.960 5.591 0.000 0.220 821 G C 1.518 176.564 174.900 0.242 0.000 1.121 821 G CA 1.006 46.240 45.100 0.223 0.000 0.758 821 G HN 0.398 nan 8.290 nan 0.000 0.559 822 Y N 0.612 120.928 120.300 0.028 0.000 2.301 822 Y HA 0.225 8.132 4.550 5.594 0.000 0.295 822 Y C 2.865 178.696 175.900 -0.116 0.000 1.119 822 Y CA 0.607 58.706 58.100 -0.001 0.000 1.162 822 Y CB -0.286 38.185 38.460 0.018 0.000 1.046 822 Y HN 0.123 nan 8.280 nan 0.000 0.538 823 M N -0.722 118.653 119.600 -0.375 0.000 2.089 823 M HA -0.303 7.531 4.480 5.591 0.000 0.257 823 M C 1.931 178.262 176.300 0.052 0.000 1.071 823 M CA 2.512 57.472 55.300 -0.567 0.000 1.096 823 M CB -0.867 31.153 32.600 -0.965 0.000 1.330 823 M HN 0.144 nan 8.290 nan 0.000 0.403 824 T N -0.154 114.535 114.554 0.225 0.000 2.665 824 T HA -0.270 7.435 4.350 5.591 0.000 0.268 824 T C 1.741 176.591 174.700 0.251 0.000 1.035 824 T CA 1.824 64.166 62.100 0.403 0.000 1.151 824 T CB -0.375 68.756 68.868 0.438 0.000 0.862 824 T HN 0.504 nan 8.240 nan 0.000 0.438 825 Q N 0.305 120.208 119.800 0.172 0.000 2.119 825 Q HA -0.107 7.587 4.340 5.591 0.000 0.201 825 Q C 2.364 178.420 176.000 0.093 0.000 0.972 825 Q CA 1.065 56.958 55.803 0.149 0.000 0.847 825 Q CB -0.047 28.812 28.738 0.202 0.000 0.903 825 Q HN 0.600 nan 8.270 nan 0.000 0.433 826 Q N -0.009 119.798 119.800 0.011 0.000 2.119 826 Q HA -0.099 7.595 4.340 5.591 0.000 0.201 826 Q C 2.188 178.264 176.000 0.126 0.000 0.972 826 Q CA 0.977 56.787 55.803 0.011 0.000 0.847 826 Q CB 0.071 28.777 28.738 -0.053 0.000 0.903 826 Q HN 0.434 nan 8.270 nan 0.000 0.433 827 L N -0.031 121.318 121.223 0.211 0.000 2.141 827 L HA -0.129 7.566 4.340 5.591 0.000 0.209 827 L C 2.249 179.202 176.870 0.139 0.000 1.094 827 L CA 0.790 55.752 54.840 0.203 0.000 0.763 827 L CB -0.254 41.973 42.059 0.280 0.000 0.908 827 L HN 0.324 nan 8.230 nan 0.000 0.437 828 M N -0.729 118.954 119.600 0.138 0.000 2.460 828 M HA -0.109 7.726 4.480 5.591 0.000 0.263 828 M C 1.388 177.744 176.300 0.093 0.000 1.071 828 M CA 0.907 56.275 55.300 0.113 0.000 1.096 828 M CB -0.414 32.256 32.600 0.118 0.000 1.408 828 M HN 0.211 nan 8.290 nan 0.000 0.463 829 N N 0.977 119.729 118.700 0.087 0.000 2.520 829 N HA 0.076 8.170 4.740 5.591 0.000 0.185 829 N C 0.385 175.932 175.510 0.061 0.000 1.068 829 N CA 0.713 53.805 53.050 0.071 0.000 0.911 829 N CB -0.051 38.474 38.487 0.063 0.000 0.961 829 N HN 0.365 nan 8.380 nan 0.000 0.446 830 L N -0.370 120.891 121.223 0.063 0.000 2.399 830 L HA 0.420 8.114 4.340 5.591 0.000 0.265 830 L C 1.094 177.994 176.870 0.051 0.000 1.089 830 L CA -0.720 54.151 54.840 0.052 0.000 0.802 830 L CB 0.834 42.924 42.059 0.052 0.000 1.180 830 L HN -0.050 nan 8.230 nan 0.000 0.454 831 A N 1.591 124.433 122.820 0.038 0.000 2.832 831 A HA -0.118 7.556 4.320 5.591 0.000 0.280 831 A C 1.302 178.911 177.584 0.042 0.000 1.464 831 A CA 0.897 52.952 52.037 0.030 0.000 0.804 831 A CB -2.231 16.788 19.000 0.031 0.000 1.020 831 A HN 1.742 nan 8.150 nan 0.000 0.563 832 G N -2.303 106.526 108.800 0.048 0.000 2.187 832 G HA2 0.190 7.504 3.960 5.591 0.000 0.261 832 G HA3 0.190 7.504 3.960 5.591 0.000 0.261 832 G C 1.265 176.221 174.900 0.093 0.000 1.000 832 G CA 1.085 46.225 45.100 0.066 0.000 0.718 832 G HN 2.948 nan 8.290 nan 0.000 0.519 833 G N -1.756 107.093 108.800 0.083 0.000 2.176 833 G HA2 0.172 7.486 3.960 5.591 0.000 0.253 833 G HA3 0.172 7.486 3.960 5.591 0.000 0.253 833 G C 0.742 175.687 174.900 0.076 0.000 0.979 833 G CA 1.116 46.269 45.100 0.089 0.000 0.641 833 G HN 2.273 nan 8.290 nan 0.000 0.530 834 A N 0.369 123.231 122.820 0.070 0.000 2.655 834 A HA 0.609 8.284 4.320 5.591 0.000 0.297 834 A C 0.290 177.897 177.584 0.039 0.000 1.461 834 A CA 0.590 52.657 52.037 0.051 0.000 1.146 834 A CB 0.167 19.192 19.000 0.042 0.000 1.108 834 A HN 1.159 nan 8.150 nan 0.000 0.550 835 V N 3.263 123.202 119.914 0.042 0.000 2.638 835 V HA 0.448 7.923 4.120 5.591 0.000 0.306 835 V C -0.495 175.623 176.094 0.040 0.000 1.052 835 V CA -0.539 61.788 62.300 0.045 0.000 0.885 835 V CB 2.049 33.919 31.823 0.078 0.000 0.999 835 V HN 0.458 nan 8.190 nan 0.000 0.424 836 V N 5.755 125.675 119.914 0.011 0.000 2.443 836 V HA 0.489 7.964 4.120 5.591 0.000 0.293 836 V C -0.317 175.736 176.094 -0.070 0.000 1.021 836 V CA -0.474 61.825 62.300 -0.001 0.000 0.848 836 V CB 1.750 33.572 31.823 -0.002 0.000 0.998 836 V HN 0.622 nan 8.190 nan 0.000 0.424 837 L N 3.907 125.073 121.223 -0.095 0.000 2.325 837 L HA 0.904 8.598 4.340 5.591 0.000 0.279 837 L C 0.224 176.852 176.870 -0.405 0.000 1.054 837 L CA -0.480 54.187 54.840 -0.288 0.000 0.804 837 L CB 1.705 43.582 42.059 -0.304 0.000 1.200 837 L HN 0.724 nan 8.230 nan 0.000 0.436 838 A N 3.051 125.611 122.820 -0.433 0.000 2.381 838 A HA 0.548 8.222 4.320 5.591 0.000 0.299 838 A C -0.924 176.425 177.584 -0.391 0.000 1.049 838 A CA -0.563 51.269 52.037 -0.341 0.000 0.715 838 A CB 1.577 20.471 19.000 -0.177 0.000 1.222 838 A HN 0.584 nan 8.150 nan 0.000 0.428 839 L N 2.068 123.098 121.223 -0.322 0.000 2.490 839 L HA 0.266 7.960 4.340 5.591 0.000 0.274 839 L C 0.655 177.434 176.870 -0.153 0.000 1.201 839 L CA 1.074 55.800 54.840 -0.191 0.000 0.869 839 L CB 0.092 42.190 42.059 0.066 0.000 1.123 839 L HN 0.837 nan 8.230 nan 0.000 0.484 840 E N 3.044 123.123 120.200 -0.202 0.000 3.880 840 E HA 0.409 8.113 4.350 5.591 0.000 0.303 840 E C 0.159 176.745 176.600 -0.023 0.000 0.829 840 E CA 0.147 56.437 56.400 -0.184 0.000 1.350 840 E CB -0.529 28.898 29.700 -0.455 0.000 2.520 840 E HN 0.717 nan 8.360 nan 0.000 0.506 841 G N -0.874 107.935 108.800 0.015 0.000 2.531 841 G HA2 0.473 7.787 3.960 5.591 0.000 0.281 841 G HA3 0.473 7.787 3.960 5.591 0.000 0.281 841 G C -0.114 174.904 174.900 0.196 0.000 1.382 841 G CA 0.058 45.273 45.100 0.191 0.000 1.045 841 G HN 0.556 nan 8.290 nan 0.000 0.533 842 G N -1.948 107.015 108.800 0.271 0.000 3.355 842 G HA2 0.238 7.553 3.960 5.591 0.000 0.686 842 G HA3 0.238 7.553 3.960 5.591 0.000 0.686 842 G C -0.154 175.006 174.900 0.435 0.000 1.097 842 G CA 0.731 46.001 45.100 0.283 0.000 0.881 842 G HN 1.832 nan 8.290 nan 0.000 0.550 843 H N 0.037 119.411 119.070 0.507 0.000 2.926 843 H HA 0.331 8.241 4.556 5.590 0.000 0.249 843 H C 0.749 176.213 175.328 0.227 0.000 0.963 843 H CA 0.424 56.652 56.048 0.300 0.000 1.158 843 H CB 0.374 30.282 29.762 0.243 0.000 1.445 843 H HN 0.515 nan 8.280 nan 0.000 0.452 844 D N 1.993 122.262 120.400 -0.218 0.000 2.570 844 D HA -0.093 7.901 4.640 5.591 0.000 0.243 844 D C 1.091 177.388 176.300 -0.006 0.000 1.171 844 D CA 0.228 54.097 54.000 -0.218 0.000 0.879 844 D CB 0.764 41.239 40.800 -0.543 0.000 1.143 844 D HN 0.481 nan 8.370 nan 0.000 0.511 845 L N 3.213 124.468 121.223 0.053 0.000 2.109 845 L HA -0.174 7.521 4.340 5.591 0.000 0.207 845 L C 2.625 179.518 176.870 0.038 0.000 1.086 845 L CA 1.370 56.258 54.840 0.080 0.000 0.760 845 L CB -0.526 41.599 42.059 0.110 0.000 0.910 845 L HN 0.519 nan 8.230 nan 0.000 0.437 846 T N -2.563 111.996 114.554 0.009 0.000 2.812 846 T HA -0.038 7.666 4.350 5.591 0.000 0.264 846 T C 2.041 176.732 174.700 -0.015 0.000 1.042 846 T CA 0.745 62.841 62.100 -0.006 0.000 1.140 846 T CB -0.415 68.447 68.868 -0.011 0.000 0.870 846 T HN 0.264 nan 8.240 nan 0.000 0.445 847 A N 2.824 125.638 122.820 -0.009 0.000 1.873 847 A HA -0.056 7.618 4.320 5.591 0.000 0.218 847 A C 2.472 180.046 177.584 -0.017 0.000 1.193 847 A CA 2.101 54.151 52.037 0.022 0.000 0.629 847 A CB -1.027 18.016 19.000 0.072 0.000 0.826 847 A HN 0.846 nan 8.150 nan 0.000 0.447 848 I N -3.188 117.395 120.570 0.023 0.000 2.617 848 I HA -0.130 7.394 4.170 5.591 0.000 0.256 848 I C 2.238 178.279 176.117 -0.127 0.000 1.167 848 I CA 1.345 62.627 61.300 -0.030 0.000 1.469 848 I CB -0.712 37.407 38.000 0.198 0.000 1.098 848 I HN 0.253 nan 8.210 nan 0.000 0.436 849 C N 1.607 120.871 119.300 -0.060 0.000 2.476 849 C HA -0.096 7.719 4.460 5.591 0.000 0.278 849 C C 2.429 177.342 174.990 -0.129 0.000 1.274 849 C CA 1.020 59.994 59.018 -0.073 0.000 1.713 849 C CB -1.014 26.706 27.740 -0.033 0.000 2.039 849 C HN 0.562 nan 8.230 nan 0.000 0.484 850 D N 1.104 121.436 120.400 -0.114 0.000 2.103 850 D HA -0.123 7.871 4.640 5.591 0.000 0.190 850 D C 2.297 178.497 176.300 -0.166 0.000 0.997 850 D CA 2.017 55.954 54.000 -0.104 0.000 0.833 850 D CB -0.571 40.194 40.800 -0.058 0.000 0.961 850 D HN 0.471 nan 8.370 nan 0.000 0.447 851 A N 0.189 122.825 122.820 -0.305 0.000 1.930 851 A HA -0.121 7.553 4.320 5.591 0.000 0.217 851 A C 2.408 179.626 177.584 -0.611 0.000 1.175 851 A CA 1.873 53.585 52.037 -0.542 0.000 0.627 851 A CB -0.441 17.884 19.000 -1.125 0.000 0.815 851 A HN 0.179 nan 8.150 nan 0.000 0.443 852 S N -0.759 114.599 115.700 -0.570 0.000 2.387 852 S HA -0.121 7.703 4.470 5.591 0.000 0.226 852 S C 1.927 176.349 174.600 -0.297 0.000 1.026 852 S CA 1.069 59.073 58.200 -0.326 0.000 0.972 852 S CB -0.229 62.852 63.200 -0.199 0.000 0.814 852 S HN 0.717 nan 8.310 nan 0.000 0.477 853 E N 1.422 121.487 120.200 -0.226 0.000 2.077 853 E HA -0.166 7.539 4.350 5.591 0.000 0.193 853 E C 2.169 178.714 176.600 -0.092 0.000 0.989 853 E CA 1.089 57.392 56.400 -0.162 0.000 0.800 853 E CB -0.211 29.413 29.700 -0.127 0.000 0.746 853 E HN 0.469 nan 8.360 nan 0.000 0.452 854 A N 0.579 123.365 122.820 -0.057 0.000 1.902 854 A HA -0.194 7.481 4.320 5.591 0.000 0.217 854 A C 2.532 180.173 177.584 0.094 0.000 1.181 854 A CA 1.453 53.505 52.037 0.025 0.000 0.623 854 A CB -0.938 18.097 19.000 0.057 0.000 0.818 854 A HN 0.507 nan 8.150 nan 0.000 0.443 855 C N -1.264 118.126 119.300 0.150 0.000 2.432 855 C HA -0.075 7.739 4.460 5.591 0.000 0.277 855 C C 2.732 177.854 174.990 0.221 0.000 1.249 855 C CA 1.094 60.300 59.018 0.314 0.000 1.725 855 C CB -1.290 26.828 27.740 0.629 0.000 2.028 855 C HN 0.454 nan 8.230 nan 0.000 0.477 856 V N 1.361 121.301 119.914 0.044 0.000 2.427 856 V HA -0.188 7.286 4.120 5.591 0.000 0.248 856 V C 2.695 178.802 176.094 0.022 0.000 1.051 856 V CA 2.096 64.389 62.300 -0.013 0.000 1.048 856 V CB -1.232 30.473 31.823 -0.196 0.000 0.666 856 V HN 0.606 nan 8.190 nan 0.000 0.456 857 A N 0.107 122.935 122.820 0.013 0.000 1.902 857 A HA -0.132 7.542 4.320 5.591 0.000 0.217 857 A C 2.453 180.076 177.584 0.065 0.000 1.181 857 A CA 2.076 54.128 52.037 0.025 0.000 0.623 857 A CB -0.776 18.231 19.000 0.012 0.000 0.818 857 A HN 0.563 nan 8.150 nan 0.000 0.443 858 A N -0.552 122.331 122.820 0.105 0.000 1.883 858 A HA -0.072 7.603 4.320 5.591 0.000 0.217 858 A C 1.988 179.649 177.584 0.129 0.000 1.186 858 A CA 1.792 53.911 52.037 0.138 0.000 0.624 858 A CB -0.575 18.539 19.000 0.190 0.000 0.822 858 A HN 0.395 nan 8.150 nan 0.000 0.444 859 L N -0.514 120.792 121.223 0.138 0.000 2.131 859 L HA -0.072 7.622 4.340 5.591 0.000 0.210 859 L C 2.290 179.201 176.870 0.069 0.000 1.092 859 L CA 1.335 56.246 54.840 0.120 0.000 0.759 859 L CB -1.058 41.092 42.059 0.152 0.000 0.903 859 L HN 0.380 nan 8.230 nan 0.000 0.435 860 L N -1.239 120.018 121.223 0.057 0.000 2.551 860 L HA 0.034 7.728 4.340 5.591 0.000 0.228 860 L C 1.556 178.450 176.870 0.041 0.000 1.153 860 L CA 0.806 55.667 54.840 0.034 0.000 0.851 860 L CB -0.323 41.749 42.059 0.022 0.000 0.959 860 L HN 0.541 nan 8.230 nan 0.000 0.451 861 G N -1.374 107.461 108.800 0.058 0.000 2.211 861 G HA2 -0.216 7.098 3.960 5.591 0.000 0.201 861 G HA3 -0.216 7.098 3.960 5.591 0.000 0.201 861 G C 0.068 175.007 174.900 0.065 0.000 0.997 861 G CA -0.559 44.579 45.100 0.063 0.000 0.652 861 G HN 0.270 nan 8.290 nan 0.000 0.500 862 N N 1.233 119.969 118.700 0.060 0.000 2.492 862 N HA 0.392 8.486 4.740 5.591 0.000 0.262 862 N C 0.459 176.015 175.510 0.076 0.000 1.202 862 N CA 0.423 53.505 53.050 0.054 0.000 0.926 862 N CB 0.595 39.105 38.487 0.037 0.000 1.078 862 N HN 0.497 nan 8.380 nan 0.000 0.454 863 R N 0.464 121.005 120.500 0.067 0.000 2.732 863 R HA 0.589 8.284 4.340 5.591 0.000 0.278 863 R C -0.700 175.638 176.300 0.062 0.000 0.976 863 R CA -0.915 55.240 56.100 0.091 0.000 0.963 863 R CB 1.519 31.871 30.300 0.087 0.000 1.150 863 R HN 0.196 nan 8.270 nan 0.000 0.478 864 V N 1.680 121.644 119.914 0.082 0.000 2.370 864 V HA 0.094 7.569 4.120 5.591 0.000 0.283 864 V C -0.411 175.613 176.094 -0.118 0.000 1.023 864 V CA -0.734 61.551 62.300 -0.026 0.000 0.857 864 V CB 1.483 33.308 31.823 0.003 0.000 0.985 864 V HN 0.643 nan 8.190 nan 0.000 0.443 865 D N 7.766 128.079 120.400 -0.144 0.000 2.336 865 D HA 0.239 8.233 4.640 5.591 0.000 0.249 865 D C -1.303 174.869 176.300 -0.214 0.000 1.213 865 D CA -2.068 51.849 54.000 -0.137 0.000 0.870 865 D CB 1.912 42.648 40.800 -0.107 0.000 1.076 865 D HN 0.247 nan 8.370 nan 0.000 0.483 866 P HA -0.063 nan 4.420 nan 0.000 0.230 866 P C 1.348 178.660 177.300 0.020 0.000 1.158 866 P CA 0.523 63.629 63.100 0.010 0.000 0.769 866 P CB 0.015 31.769 31.700 0.090 0.000 0.807 867 L N -0.300 120.894 121.223 -0.048 0.000 2.529 867 L HA 0.183 7.878 4.340 5.591 0.000 0.223 867 L C 2.231 179.028 176.870 -0.122 0.000 1.113 867 L CA 1.507 56.318 54.840 -0.048 0.000 0.861 867 L CB -1.847 40.199 42.059 -0.021 0.000 1.012 867 L HN 0.200 nan 8.230 nan 0.000 0.461 868 S N -1.255 114.328 115.700 -0.195 0.000 2.851 868 S HA 0.260 8.084 4.470 5.591 0.000 0.227 868 S C 0.352 174.755 174.600 -0.329 0.000 0.958 868 S CA 0.589 58.653 58.200 -0.226 0.000 0.990 868 S CB -0.356 62.714 63.200 -0.217 0.000 0.790 868 S HN 0.754 nan 8.310 nan 0.000 0.509 869 E N 0.837 120.810 120.200 -0.380 0.000 2.542 869 E HA 0.444 8.148 4.350 5.591 0.000 0.298 869 E C -0.143 176.271 176.600 -0.310 0.000 0.980 869 E CA 0.188 56.273 56.400 -0.524 0.000 0.792 869 E CB 0.813 29.791 29.700 -1.202 0.000 1.463 869 E HN 0.410 nan 8.360 nan 0.000 0.389 870 E N 1.022 121.113 120.200 -0.182 0.000 2.428 870 E HA 0.476 8.180 4.350 5.591 0.000 0.257 870 E C 1.274 177.846 176.600 -0.047 0.000 1.197 870 E CA 0.146 56.500 56.400 -0.077 0.000 0.974 870 E CB -0.024 nan 29.700 nan 0.000 0.976 870 E HN 1.231 nan 8.360 nan 0.000 0.463 871 G N -0.968 107.846 108.800 0.023 0.000 2.498 871 G HA2 -0.259 7.055 3.960 5.591 0.000 0.229 871 G HA3 -0.259 7.055 3.960 5.591 0.000 0.229 871 G C 0.905 175.942 174.900 0.228 0.000 1.156 871 G CA 0.733 45.880 45.100 0.079 0.000 0.680 871 G HN 0.786 nan 8.290 nan 0.000 0.512 872 W N 1.979 123.248 121.300 -0.052 0.000 3.391 872 W HA 0.526 8.548 4.660 5.603 0.000 0.275 872 W C 1.846 178.347 176.519 -0.031 0.000 1.318 872 W CA 0.591 57.911 57.345 -0.043 0.000 1.665 872 W CB -0.296 29.130 29.460 -0.057 0.000 1.078 872 W HN 0.412 nan 8.180 nan 0.000 0.732 873 K N -0.411 120.083 120.400 0.158 0.000 2.360 873 K HA 0.039 7.713 4.320 5.591 0.000 0.196 873 K C 0.953 177.586 176.600 0.055 0.000 1.049 873 K CA 0.044 56.382 56.287 0.085 0.000 1.049 873 K CB 0.338 32.868 32.500 0.050 0.000 0.881 873 K HN -0.163 nan 8.250 nan 0.000 0.542 874 Q N 1.744 121.577 119.800 0.054 0.000 2.373 874 Q HA 0.107 7.801 4.340 5.591 0.000 0.255 874 Q C -0.446 175.560 176.000 0.009 0.000 0.980 874 Q CA 0.354 56.170 55.803 0.022 0.000 0.882 874 Q CB 0.728 29.473 28.738 0.012 0.000 1.249 874 Q HN 0.044 nan 8.270 nan 0.000 0.438 875 K N 2.955 123.353 120.400 -0.003 0.000 2.326 875 K HA 0.215 7.889 4.320 5.591 0.000 0.275 875 K C -2.021 174.562 176.600 -0.028 0.000 1.018 875 K CA -1.312 54.969 56.287 -0.010 0.000 0.962 875 K CB -0.144 32.351 32.500 -0.008 0.000 0.953 875 K HN 0.375 nan 8.250 nan 0.000 0.475 876 P HA -0.051 nan 4.420 nan 0.000 0.268 876 P C -0.899 176.363 177.300 -0.063 0.000 1.205 876 P CA -0.343 62.720 63.100 -0.062 0.000 0.771 876 P CB 0.311 31.983 31.700 -0.047 0.000 0.858 877 N N 2.179 120.821 118.700 -0.098 0.000 2.344 877 N HA -0.121 7.973 4.740 5.591 0.000 0.236 877 N C 0.922 176.399 175.510 -0.055 0.000 1.279 877 N CA -0.286 52.714 53.050 -0.084 0.000 0.882 877 N CB 0.005 38.425 38.487 -0.112 0.000 1.110 877 N HN 0.227 nan 8.380 nan 0.000 0.436 878 L N 1.221 122.423 121.223 -0.034 0.000 2.191 878 L HA -0.044 7.650 4.340 5.591 0.000 0.212 878 L C 1.310 178.182 176.870 0.003 0.000 1.103 878 L CA 1.633 56.467 54.840 -0.010 0.000 0.769 878 L CB -1.364 40.692 42.059 -0.005 0.000 0.908 878 L HN 0.740 nan 8.230 nan 0.000 0.438 879 N N -0.857 117.835 118.700 -0.013 0.000 2.142 879 N HA -0.134 7.960 4.740 5.591 0.000 0.186 879 N C 1.866 177.411 175.510 0.059 0.000 1.023 879 N CA 1.134 54.192 53.050 0.014 0.000 0.852 879 N CB -0.187 38.292 38.487 -0.014 0.000 0.998 879 N HN 0.484 nan 8.380 nan 0.000 0.424 880 A N 1.452 124.271 122.820 -0.002 0.000 1.877 880 A HA -0.117 7.557 4.320 5.591 0.000 0.216 880 A C 2.000 179.708 177.584 0.207 0.000 1.186 880 A CA 0.967 53.062 52.037 0.096 0.000 0.620 880 A CB -0.550 18.335 19.000 -0.191 0.000 0.822 880 A HN 0.138 nan 8.150 nan 0.000 0.443 881 I N 0.146 120.767 120.570 0.085 0.000 2.118 881 I HA -0.280 7.245 4.170 5.591 0.000 0.241 881 I C 2.514 178.672 176.117 0.068 0.000 1.070 881 I CA 1.878 63.218 61.300 0.067 0.000 1.327 881 I CB -1.391 36.627 38.000 0.030 0.000 1.034 881 I HN 0.393 nan 8.210 nan 0.000 0.405 882 R N 0.068 120.607 120.500 0.065 0.000 2.189 882 R HA -0.037 7.657 4.340 5.591 0.000 0.223 882 R C 2.383 178.722 176.300 0.065 0.000 1.092 882 R CA 1.164 57.298 56.100 0.055 0.000 0.989 882 R CB -0.291 30.038 30.300 0.049 0.000 0.876 882 R HN 0.289 nan 8.270 nan 0.000 0.457 883 S N 1.148 116.917 115.700 0.114 0.000 2.377 883 S HA 0.016 7.840 4.470 5.591 0.000 0.223 883 S C 1.929 176.521 174.600 -0.014 0.000 1.030 883 S CA 0.761 59.014 58.200 0.088 0.000 0.970 883 S CB -0.045 63.303 63.200 0.248 0.000 0.830 883 S HN 0.175 nan 8.310 nan 0.000 0.473 884 L N 1.266 122.501 121.223 0.021 0.000 2.093 884 L HA -0.106 7.588 4.340 5.591 0.000 0.208 884 L C 2.664 179.513 176.870 -0.036 0.000 1.085 884 L CA 1.299 56.107 54.840 -0.055 0.000 0.755 884 L CB -0.474 41.583 42.059 -0.003 0.000 0.904 884 L HN 0.271 nan 8.230 nan 0.000 0.435 885 E N 0.728 120.928 120.200 -0.001 0.000 2.110 885 E HA -0.217 7.487 4.350 5.591 0.000 0.193 885 E C 2.088 178.685 176.600 -0.004 0.000 0.988 885 E CA 1.517 57.917 56.400 0.000 0.000 0.804 885 E CB -0.070 29.637 29.700 0.011 0.000 0.745 885 E HN 0.372 nan 8.360 nan 0.000 0.458 886 A N 0.035 122.851 122.820 -0.007 0.000 1.930 886 A HA -0.103 7.571 4.320 5.591 0.000 0.217 886 A C 2.474 180.052 177.584 -0.011 0.000 1.175 886 A CA 1.487 53.518 52.037 -0.009 0.000 0.627 886 A CB -0.688 18.307 19.000 -0.010 0.000 0.815 886 A HN 0.200 nan 8.150 nan 0.000 0.443 887 V N 0.194 120.087 119.914 -0.035 0.000 2.295 887 V HA -0.293 7.181 4.120 5.591 0.000 0.246 887 V C 2.417 178.542 176.094 0.053 0.000 1.049 887 V CA 2.192 64.486 62.300 -0.011 0.000 1.024 887 V CB -0.747 31.002 31.823 -0.124 0.000 0.648 887 V HN 0.577 nan 8.190 nan 0.000 0.447 888 I N -0.254 120.322 120.570 0.011 0.000 2.179 888 I HA -0.259 7.265 4.170 5.591 0.000 0.242 888 I C 2.704 178.845 176.117 0.039 0.000 1.088 888 I CA 1.893 63.210 61.300 0.029 0.000 1.357 888 I CB -0.439 37.562 38.000 0.002 0.000 1.051 888 I HN 0.175 nan 8.210 nan 0.000 0.409 889 R N 0.538 121.047 120.500 0.015 0.000 2.105 889 R HA -0.145 7.549 4.340 5.591 0.000 0.239 889 R C 2.140 178.430 176.300 -0.016 0.000 1.135 889 R CA 1.412 57.510 56.100 -0.003 0.000 0.967 889 R CB -0.117 30.178 30.300 -0.007 0.000 0.861 889 R HN 0.178 nan 8.270 nan 0.000 0.442 890 V N -0.429 119.482 119.914 -0.005 0.000 2.346 890 V HA -0.154 7.321 4.120 5.591 0.000 0.244 890 V C 1.866 177.897 176.094 -0.104 0.000 1.037 890 V CA 1.509 63.772 62.300 -0.061 0.000 1.029 890 V CB -0.439 31.347 31.823 -0.062 0.000 0.663 890 V HN 0.446 nan 8.190 nan 0.000 0.454 891 H N 0.095 119.229 119.070 0.108 0.000 2.548 891 H HA 0.046 7.960 4.556 5.597 0.000 0.265 891 H C 2.424 177.857 175.328 0.174 0.000 0.969 891 H CA 1.022 57.218 56.048 0.247 0.000 1.155 891 H CB 0.108 30.016 29.762 0.243 0.000 1.394 891 H HN 0.590 nan 8.280 nan 0.000 0.570 892 S N 0.704 116.466 115.700 0.104 0.000 2.440 892 S HA -0.191 7.633 4.470 5.591 0.000 0.238 892 S C 1.992 176.532 174.600 -0.100 0.000 1.010 892 S CA 1.185 59.400 58.200 0.025 0.000 0.972 892 S CB -0.060 63.133 63.200 -0.011 0.000 0.774 892 S HN 0.338 nan 8.310 nan 0.000 0.501 893 K N -0.133 120.104 120.400 -0.271 0.000 2.148 893 K HA -0.076 7.599 4.320 5.591 0.000 0.204 893 K C 1.110 177.262 176.600 -0.745 0.000 1.050 893 K CA 1.384 57.311 56.287 -0.600 0.000 0.942 893 K CB -0.134 31.792 32.500 -0.956 0.000 0.724 893 K HN 0.574 nan 8.250 nan 0.000 0.446 894 Y N -2.332 117.884 120.300 -0.141 0.000 2.535 894 Y HA 0.200 8.104 4.550 5.591 0.000 0.264 894 Y C -0.203 175.367 175.900 -0.550 0.000 1.087 894 Y CA -0.392 57.455 58.100 -0.421 0.000 1.285 894 Y CB 0.455 38.562 38.460 -0.588 0.000 1.200 894 Y HN -0.024 nan 8.280 nan 0.000 0.514 895 W N -0.333 120.991 121.300 0.039 0.000 2.739 895 W HA 0.558 8.581 4.660 5.605 0.000 0.331 895 W C 1.154 177.667 176.519 -0.010 0.000 1.049 895 W CA -0.911 56.441 57.345 0.011 0.000 1.234 895 W CB 1.406 30.871 29.460 0.008 0.000 1.404 895 W HN -0.039 nan 8.180 nan 0.000 0.477 896 G N 0.744 109.666 108.800 0.202 0.000 2.440 896 G HA2 -0.338 6.977 3.960 5.591 0.000 0.218 896 G HA3 -0.338 6.977 3.960 5.591 0.000 0.218 896 G C 1.468 176.433 174.900 0.109 0.000 1.154 896 G CA 1.655 46.823 45.100 0.113 0.000 0.767 896 G HN 0.799 nan 8.290 nan 0.000 0.552 897 C N -0.357 119.023 119.300 0.134 0.000 2.422 897 C HA 0.191 8.005 4.460 5.591 0.000 0.286 897 C C 2.440 177.462 174.990 0.052 0.000 1.412 897 C CA 0.656 59.716 59.018 0.070 0.000 1.786 897 C CB -0.689 27.071 27.740 0.034 0.000 1.835 897 C HN 0.288 nan 8.230 nan 0.000 0.533 898 M N -0.003 119.657 119.600 0.100 0.000 2.441 898 M HA 0.188 8.023 4.480 5.591 0.000 0.244 898 M C 0.553 176.888 176.300 0.057 0.000 1.122 898 M CA 0.592 55.939 55.300 0.078 0.000 1.041 898 M CB -0.696 31.994 32.600 0.150 0.000 1.438 898 M HN 0.528 nan 8.290 nan 0.000 0.484 899 Q N 2.704 122.535 119.800 0.052 0.000 2.361 899 Q HA 0.202 7.897 4.340 5.591 0.000 0.250 899 Q C 0.088 176.096 176.000 0.013 0.000 1.023 899 Q CA -0.102 55.713 55.803 0.021 0.000 0.915 899 Q CB 0.797 29.542 28.738 0.011 0.000 1.238 899 Q HN 0.254 nan 8.270 nan 0.000 0.451 900 R N 2.372 122.875 120.500 0.005 0.000 2.664 900 R HA 0.424 8.118 4.340 5.591 0.000 0.286 900 R C -0.531 175.768 176.300 -0.003 0.000 0.967 900 R CA -0.951 55.150 56.100 0.002 0.000 0.933 900 R CB 0.893 31.195 30.300 0.003 0.000 1.146 900 R HN 0.382 nan 8.270 nan 0.000 0.468 901 L N 0.000 121.222 121.223 -0.002 0.000 2.949 901 L HA 0.000 7.694 4.340 5.591 0.000 0.249 901 L CA 0.000 54.838 54.840 -0.004 0.000 0.813 901 L CB 0.000 42.058 42.059 -0.002 0.000 0.961 901 L HN 0.000 nan 8.230 nan 0.000 0.502