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 3c10_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 0.000 176.936 176.870 0.110 0.000 1.165 516 L CA 0.000 54.893 54.840 0.089 0.000 0.813 516 L CB 0.000 42.115 42.059 0.093 0.000 0.961 517 P HA 0.285 nan 4.420 nan 0.000 0.285 517 P C -0.228 177.176 177.300 0.173 0.000 1.259 517 P CA -0.239 62.939 63.100 0.130 0.000 0.794 517 P CB 0.402 32.160 31.700 0.096 0.000 0.940 518 F N 3.155 123.132 119.950 0.045 0.000 2.588 518 F HA 0.002 4.526 4.527 -0.004 0.000 0.367 518 F C 0.085 175.916 175.800 0.052 0.000 1.228 518 F CA 0.420 58.448 58.000 0.047 0.000 1.289 518 F CB -0.399 38.625 39.000 0.040 0.000 1.738 518 F HN 0.263 nan 8.300 nan 0.000 0.680 519 T N -1.279 113.198 114.554 -0.129 0.000 2.633 519 T HA 0.327 4.675 4.350 -0.004 0.000 0.262 519 T C 0.107 174.723 174.700 -0.140 0.000 0.920 519 T CA -0.635 61.379 62.100 -0.144 0.000 1.062 519 T CB 1.144 69.996 68.868 -0.027 0.000 1.390 519 T HN 0.150 nan 8.240 nan 0.000 0.549 520 T N -0.306 114.212 114.554 -0.059 0.000 2.869 520 T HA 0.556 4.903 4.350 -0.004 0.000 0.295 520 T C 0.532 175.266 174.700 0.056 0.000 0.987 520 T CA -0.433 61.668 62.100 0.002 0.000 1.109 520 T CB 0.101 68.992 68.868 0.039 0.000 0.932 520 T HN 0.900 nan 8.240 nan 0.000 0.518 521 G N 3.210 112.063 108.800 0.088 0.000 2.425 521 G HA2 0.620 4.578 3.960 -0.004 0.000 0.302 521 G HA3 0.620 4.578 3.960 -0.004 0.000 0.302 521 G C -0.944 174.074 174.900 0.198 0.000 1.159 521 G CA -0.882 44.297 45.100 0.132 0.000 0.865 521 G HN 0.849 nan 8.290 nan 0.000 0.515 522 L N 1.211 122.581 121.223 0.245 0.000 2.370 522 L HA 0.506 4.844 4.340 -0.004 0.000 0.266 522 L C -0.579 176.476 176.870 0.309 0.000 1.002 522 L CA -1.024 54.024 54.840 0.346 0.000 0.818 522 L CB 2.320 44.656 42.059 0.461 0.000 1.325 522 L HN 0.208 nan 8.230 nan 0.000 0.418 523 I N 2.161 122.905 120.570 0.291 0.000 2.404 523 I HA 0.425 4.593 4.170 -0.004 0.000 0.293 523 I C -1.214 174.978 176.117 0.126 0.000 0.992 523 I CA -0.455 60.960 61.300 0.191 0.000 1.149 523 I CB 1.774 39.869 38.000 0.158 0.000 1.315 523 I HN 0.535 nan 8.210 nan 0.000 0.446 524 Y N 5.707 125.861 120.300 -0.243 0.000 2.558 524 Y HA 0.460 5.008 4.550 -0.003 0.000 0.333 524 Y C -1.638 174.041 175.900 -0.368 0.000 1.125 524 Y CA -0.690 57.094 58.100 -0.526 0.000 1.039 524 Y CB 1.792 39.298 38.460 -1.590 0.000 1.331 524 Y HN 0.559 nan 8.280 nan 0.000 0.456 525 D N 1.979 121.815 120.400 -0.939 0.000 2.886 525 D HA 0.137 4.774 4.640 -0.004 0.000 0.216 525 D C 0.069 175.785 176.300 -0.974 0.000 1.256 525 D CA 0.299 53.844 54.000 -0.759 0.000 0.844 525 D CB 2.261 42.770 40.800 -0.487 0.000 1.669 525 D HN 0.649 nan 8.370 nan 0.000 0.513 526 S N 1.209 116.500 115.700 -0.681 0.000 2.440 526 S HA -0.142 4.325 4.470 -0.004 0.000 0.238 526 S C 2.051 176.364 174.600 -0.479 0.000 1.010 526 S CA 1.050 58.959 58.200 -0.485 0.000 0.972 526 S CB -0.387 62.664 63.200 -0.249 0.000 0.774 526 S HN 0.391 nan 8.310 nan 0.000 0.501 527 V N 1.930 121.469 119.914 -0.626 0.000 2.453 527 V HA -0.205 3.912 4.120 -0.004 0.000 0.252 527 V C 2.459 178.283 176.094 -0.450 0.000 1.068 527 V CA 2.177 64.115 62.300 -0.602 0.000 1.070 527 V CB -0.924 30.345 31.823 -0.923 0.000 0.664 527 V HN 0.544 nan 8.190 nan 0.000 0.461 528 M N -1.019 118.302 119.600 -0.465 0.000 2.562 528 M HA 0.018 4.496 4.480 -0.004 0.000 0.257 528 M C 1.841 178.035 176.300 -0.176 0.000 1.099 528 M CA 1.195 56.339 55.300 -0.260 0.000 1.099 528 M CB -0.150 32.315 32.600 -0.225 0.000 1.427 528 M HN 0.317 nan 8.290 nan 0.000 0.489 529 L N -0.216 120.872 121.223 -0.226 0.000 2.313 529 L HA -0.135 4.202 4.340 -0.004 0.000 0.214 529 L C 2.155 178.945 176.870 -0.134 0.000 1.119 529 L CA 0.653 55.412 54.840 -0.136 0.000 0.809 529 L CB -0.505 41.478 42.059 -0.126 0.000 0.933 529 L HN 0.206 nan 8.230 nan 0.000 0.449 530 K N -0.675 119.601 120.400 -0.207 0.000 2.365 530 K HA -0.116 4.201 4.320 -0.004 0.000 0.199 530 K C 0.487 176.994 176.600 -0.154 0.000 1.045 530 K CA 0.297 56.409 56.287 -0.292 0.000 0.962 530 K CB -0.520 31.633 32.500 -0.579 0.000 0.759 530 K HN 0.250 nan 8.250 nan 0.000 0.469 531 H N 2.910 121.880 119.070 -0.168 0.000 3.289 531 H HA 0.028 4.581 4.556 -0.004 0.000 0.248 531 H C -0.752 174.520 175.328 -0.093 0.000 1.175 531 H CA 0.502 56.466 56.048 -0.140 0.000 1.496 531 H CB -0.354 29.330 29.762 -0.130 0.000 1.571 531 H HN 0.066 nan 8.280 nan 0.000 0.495 532 Q N 3.360 122.947 119.800 -0.354 0.000 2.391 532 Q HA 0.239 4.576 4.340 -0.004 0.000 0.279 532 Q C -0.850 174.991 176.000 -0.265 0.000 1.028 532 Q CA -1.003 54.612 55.803 -0.314 0.000 0.836 532 Q CB 1.498 30.146 28.738 -0.150 0.000 1.414 532 Q HN 0.572 nan 8.270 nan 0.000 0.397 533 C N 1.560 120.683 119.300 -0.295 0.000 2.679 533 C HA 0.068 4.525 4.460 -0.004 0.000 0.417 533 C C 2.055 176.983 174.990 -0.104 0.000 1.302 533 C CA 0.805 59.673 59.018 -0.250 0.000 1.973 533 C CB 0.045 27.506 27.740 -0.466 0.000 2.715 533 C HN 1.030 nan 8.230 nan 0.000 0.628 534 S N 2.691 118.354 115.700 -0.061 0.000 2.481 534 S HA -0.147 4.321 4.470 -0.004 0.000 0.231 534 S C 1.780 176.383 174.600 0.006 0.000 0.996 534 S CA 1.136 59.322 58.200 -0.022 0.000 0.942 534 S CB -0.969 62.222 63.200 -0.014 0.000 0.768 534 S HN 1.126 nan 8.310 nan 0.000 0.520 535 C N 1.015 120.334 119.300 0.032 0.000 2.430 535 C HA 0.441 4.898 4.460 -0.004 0.000 0.288 535 C C 2.395 177.418 174.990 0.055 0.000 1.448 535 C CA -0.079 58.978 59.018 0.064 0.000 1.784 535 C CB -1.808 26.011 27.740 0.132 0.000 1.776 535 C HN 0.949 nan 8.230 nan 0.000 0.547 536 G N 0.419 109.244 108.800 0.042 0.000 2.347 536 G HA2 -0.276 3.681 3.960 -0.004 0.000 0.247 536 G HA3 -0.276 3.681 3.960 -0.004 0.000 0.247 536 G C -0.061 174.861 174.900 0.037 0.000 1.037 536 G CA 0.683 45.799 45.100 0.026 0.000 0.622 536 G HN 0.673 nan 8.290 nan 0.000 0.521 537 D N 1.108 121.551 120.400 0.072 0.000 2.365 537 D HA 0.406 5.044 4.640 -0.004 0.000 0.237 537 D C 1.176 177.491 176.300 0.026 0.000 1.190 537 D CA -0.512 53.504 54.000 0.027 0.000 0.867 537 D CB 0.194 40.989 40.800 -0.009 0.000 1.050 537 D HN 0.095 nan 8.370 nan 0.000 0.491 538 N N 1.298 119.973 118.700 -0.042 0.000 2.521 538 N HA -0.025 4.712 4.740 -0.004 0.000 0.188 538 N C 0.778 176.203 175.510 -0.141 0.000 1.146 538 N CA 0.254 53.243 53.050 -0.102 0.000 0.893 538 N CB 0.405 38.727 38.487 -0.275 0.000 0.975 538 N HN 0.179 nan 8.380 nan 0.000 0.451 539 S N -0.768 114.858 115.700 -0.124 0.000 2.524 539 S HA 0.154 4.621 4.470 -0.004 0.000 0.215 539 S C 1.660 176.172 174.600 -0.146 0.000 0.986 539 S CA -0.242 57.889 58.200 -0.115 0.000 0.911 539 S CB 0.949 64.099 63.200 -0.083 0.000 0.805 539 S HN 0.283 nan 8.310 nan 0.000 0.501 540 R N 1.050 121.403 120.500 -0.246 0.000 2.237 540 R HA 0.110 4.447 4.340 -0.004 0.000 0.195 540 R C -0.257 175.736 176.300 -0.512 0.000 0.956 540 R CA 0.575 56.427 56.100 -0.414 0.000 1.029 540 R CB 0.276 30.224 30.300 -0.588 0.000 0.972 540 R HN 0.267 nan 8.270 nan 0.000 0.493 541 H N 0.589 119.647 119.070 -0.020 0.000 2.530 541 H HA 0.214 4.767 4.556 -0.004 0.000 0.246 541 H C -2.016 173.271 175.328 -0.068 0.000 1.346 541 H CA -2.382 53.654 56.048 -0.019 0.000 1.424 541 H CB 1.571 31.322 29.762 -0.018 0.000 1.445 541 H HN 0.152 nan 8.280 nan 0.000 0.511 542 P HA -0.151 nan 4.420 nan 0.000 0.219 542 P C 0.838 178.048 177.300 -0.150 0.000 1.146 542 P CA 0.921 63.942 63.100 -0.132 0.000 0.808 542 P CB 0.736 32.231 31.700 -0.342 0.000 0.779 543 E N 1.359 121.251 120.200 -0.514 0.000 1.852 543 E HA 0.026 4.373 4.350 -0.004 0.000 0.276 543 E C -0.269 176.215 176.600 -0.194 0.000 1.163 543 E CA -0.279 55.802 56.400 -0.533 0.000 1.117 543 E CB -0.836 28.192 29.700 -1.121 0.000 1.124 543 E HN 0.452 nan 8.360 nan 0.000 0.458 544 H N -0.940 118.070 119.070 -0.100 0.000 2.737 544 H HA 0.679 5.232 4.556 -0.005 0.000 0.358 544 H C 0.804 176.134 175.328 0.002 0.000 1.187 544 H CA -0.282 55.737 56.048 -0.050 0.000 1.221 544 H CB 1.212 30.959 29.762 -0.025 0.000 1.799 544 H HN 0.009 nan 8.280 nan 0.000 0.568 545 A N 0.996 123.884 122.820 0.114 0.000 2.019 545 A HA -0.024 4.294 4.320 -0.004 0.000 0.219 545 A C 2.306 179.950 177.584 0.101 0.000 1.164 545 A CA 1.400 53.479 52.037 0.071 0.000 0.644 545 A CB -1.531 17.503 19.000 0.057 0.000 0.805 545 A HN 0.944 nan 8.150 nan 0.000 0.449 546 G N -0.427 108.539 108.800 0.276 0.000 2.470 546 G HA2 -0.213 3.744 3.960 -0.004 0.000 0.220 546 G HA3 -0.213 3.744 3.960 -0.004 0.000 0.220 546 G C 1.660 176.586 174.900 0.044 0.000 1.121 546 G CA 0.816 46.064 45.100 0.247 0.000 0.766 546 G HN 0.614 nan 8.290 nan 0.000 0.553 547 R N 0.202 120.558 120.500 -0.239 0.000 2.080 547 R HA -0.085 4.253 4.340 -0.004 0.000 0.236 547 R C 2.635 178.982 176.300 0.079 0.000 1.137 547 R CA 1.828 57.865 56.100 -0.104 0.000 0.943 547 R CB -0.520 29.686 30.300 -0.156 0.000 0.846 547 R HN 0.652 nan 8.270 nan 0.000 0.431 548 I N -2.095 118.551 120.570 0.127 0.000 2.584 548 I HA -0.065 4.102 4.170 -0.004 0.000 0.255 548 I C 2.406 178.726 176.117 0.339 0.000 1.145 548 I CA 0.998 62.458 61.300 0.267 0.000 1.462 548 I CB -0.299 37.875 38.000 0.290 0.000 1.102 548 I HN 0.065 nan 8.210 nan 0.000 0.433 549 Q N 1.873 121.839 119.800 0.276 0.000 2.050 549 Q HA -0.200 4.138 4.340 -0.004 0.000 0.202 549 Q C 2.501 178.598 176.000 0.161 0.000 0.980 549 Q CA 2.724 58.674 55.803 0.245 0.000 0.840 549 Q CB -0.046 28.813 28.738 0.202 0.000 0.898 549 Q HN 0.754 nan 8.270 nan 0.000 0.424 550 S N -0.005 115.775 115.700 0.133 0.000 2.370 550 S HA -0.194 4.274 4.470 -0.004 0.000 0.226 550 S C 1.908 176.548 174.600 0.066 0.000 1.033 550 S CA 1.363 59.615 58.200 0.088 0.000 1.011 550 S CB -0.674 62.577 63.200 0.086 0.000 0.852 550 S HN 0.446 nan 8.310 nan 0.000 0.457 551 I N 0.389 121.022 120.570 0.104 0.000 2.163 551 I HA -0.172 3.995 4.170 -0.004 0.000 0.243 551 I C 2.555 178.707 176.117 0.059 0.000 1.085 551 I CA 1.803 63.153 61.300 0.083 0.000 1.347 551 I CB -0.446 37.653 38.000 0.164 0.000 1.044 551 I HN 0.497 nan 8.210 nan 0.000 0.408 552 W N 1.811 123.006 121.300 -0.175 0.000 2.358 552 W HA -0.259 4.399 4.660 -0.002 0.000 0.303 552 W C 2.740 179.105 176.519 -0.257 0.000 1.208 552 W CA 1.843 58.980 57.345 -0.347 0.000 1.274 552 W CB -0.022 28.906 29.460 -0.886 0.000 1.138 552 W HN 0.320 nan 8.180 nan 0.000 0.515 553 S N 0.462 116.070 115.700 -0.154 0.000 2.395 553 S HA -0.202 4.266 4.470 -0.004 0.000 0.225 553 S C 1.751 176.229 174.600 -0.203 0.000 1.027 553 S CA 1.063 59.138 58.200 -0.208 0.000 0.965 553 S CB -0.632 62.526 63.200 -0.069 0.000 0.812 553 S HN 0.218 nan 8.310 nan 0.000 0.482 554 R N 1.673 122.089 120.500 -0.140 0.000 2.139 554 R HA 0.093 4.431 4.340 -0.004 0.000 0.243 554 R C 1.970 178.161 176.300 -0.182 0.000 1.145 554 R CA 1.418 57.439 56.100 -0.132 0.000 0.976 554 R CB -1.053 29.192 30.300 -0.091 0.000 0.866 554 R HN 0.551 nan 8.270 nan 0.000 0.449 555 L N -0.262 120.807 121.223 -0.257 0.000 2.179 555 L HA -0.031 4.307 4.340 -0.004 0.000 0.208 555 L C 2.670 179.353 176.870 -0.311 0.000 1.096 555 L CA 1.425 56.089 54.840 -0.294 0.000 0.779 555 L CB -0.395 41.449 42.059 -0.359 0.000 0.922 555 L HN 0.397 nan 8.230 nan 0.000 0.443 556 Q N 0.410 119.989 119.800 -0.368 0.000 2.137 556 Q HA -0.180 4.157 4.340 -0.004 0.000 0.198 556 Q C 1.887 177.771 176.000 -0.193 0.000 0.960 556 Q CA 1.149 56.770 55.803 -0.304 0.000 0.847 556 Q CB 0.203 28.735 28.738 -0.344 0.000 0.915 556 Q HN 0.482 nan 8.270 nan 0.000 0.448 557 E N -0.080 120.018 120.200 -0.170 0.000 2.106 557 E HA -0.121 4.226 4.350 -0.004 0.000 0.192 557 E C 1.540 178.078 176.600 -0.105 0.000 0.984 557 E CA 0.704 57.032 56.400 -0.118 0.000 0.806 557 E CB 0.181 29.820 29.700 -0.101 0.000 0.750 557 E HN 0.203 nan 8.360 nan 0.000 0.458 558 R N -0.435 119.994 120.500 -0.118 0.000 2.334 558 R HA 0.121 4.459 4.340 -0.004 0.000 0.220 558 R C 1.018 177.259 176.300 -0.099 0.000 0.917 558 R CA 0.682 56.721 56.100 -0.100 0.000 1.073 558 R CB 0.806 31.045 30.300 -0.101 0.000 1.056 558 R HN 0.302 nan 8.270 nan 0.000 0.506 559 G N 1.160 109.894 108.800 -0.112 0.000 2.184 559 G HA2 -0.301 3.656 3.960 -0.004 0.000 0.264 559 G HA3 -0.301 3.656 3.960 -0.004 0.000 0.264 559 G C 0.856 175.691 174.900 -0.107 0.000 0.975 559 G CA 0.409 45.449 45.100 -0.101 0.000 0.642 559 G HN 0.326 nan 8.290 nan 0.000 0.536 560 L N -0.850 120.295 121.223 -0.130 0.000 2.068 560 L HA 0.150 4.487 4.340 -0.004 0.000 0.204 560 L C 2.910 179.698 176.870 -0.137 0.000 1.076 560 L CA 1.342 56.110 54.840 -0.120 0.000 0.753 560 L CB -0.476 41.505 42.059 -0.129 0.000 0.910 560 L HN 0.248 nan 8.230 nan 0.000 0.439 561 R N 0.473 120.845 120.500 -0.214 0.000 2.119 561 R HA -0.207 4.131 4.340 -0.004 0.000 0.246 561 R C 2.481 178.685 176.300 -0.159 0.000 1.146 561 R CA 2.083 58.022 56.100 -0.269 0.000 0.962 561 R CB -0.205 29.784 30.300 -0.519 0.000 0.863 561 R HN 0.473 nan 8.270 nan 0.000 0.442 562 S N -0.205 115.418 115.700 -0.128 0.000 2.481 562 S HA -0.091 4.376 4.470 -0.004 0.000 0.231 562 S C 1.579 176.159 174.600 -0.034 0.000 0.996 562 S CA 0.550 58.708 58.200 -0.069 0.000 0.942 562 S CB 0.035 63.197 63.200 -0.063 0.000 0.768 562 S HN 0.427 nan 8.310 nan 0.000 0.520 563 Q N -0.012 119.764 119.800 -0.039 0.000 2.331 563 Q HA 0.143 4.480 4.340 -0.004 0.000 0.203 563 Q C 0.425 176.425 176.000 -0.000 0.000 0.944 563 Q CA 0.302 56.095 55.803 -0.017 0.000 0.892 563 Q CB -0.128 28.596 28.738 -0.023 0.000 0.983 563 Q HN 0.545 nan 8.270 nan 0.000 0.482 564 C N 1.342 120.643 119.300 0.002 0.000 2.362 564 C HA 0.305 4.763 4.460 -0.004 0.000 0.363 564 C C 0.606 175.633 174.990 0.061 0.000 1.220 564 C CA -0.941 58.099 59.018 0.035 0.000 2.379 564 C CB 0.809 28.581 27.740 0.053 0.000 2.351 564 C HN 0.319 nan 8.230 nan 0.000 0.582 565 E N 0.426 120.674 120.200 0.081 0.000 2.223 565 E HA 0.292 4.640 4.350 -0.004 0.000 0.282 565 E C -1.138 175.553 176.600 0.152 0.000 1.046 565 E CA -0.009 56.452 56.400 0.103 0.000 0.857 565 E CB 0.227 29.983 29.700 0.092 0.000 1.055 565 E HN 0.672 nan 8.360 nan 0.000 0.409 566 C N 6.487 125.896 119.300 0.182 0.000 2.255 566 C HA 0.494 4.951 4.460 -0.004 0.000 0.326 566 C C -0.255 174.873 174.990 0.231 0.000 1.258 566 C CA -0.776 58.412 59.018 0.283 0.000 1.676 566 C CB -1.127 26.833 27.740 0.366 0.000 2.314 566 C HN 0.651 nan 8.230 nan 0.000 0.509 567 L N 3.275 124.627 121.223 0.215 0.000 2.319 567 L HA 0.588 4.925 4.340 -0.004 0.000 0.267 567 L C 0.983 177.946 176.870 0.156 0.000 1.011 567 L CA -0.629 54.307 54.840 0.161 0.000 0.818 567 L CB 1.445 43.583 42.059 0.131 0.000 1.316 567 L HN 0.646 nan 8.230 nan 0.000 0.432 568 R N 0.613 121.208 120.500 0.159 0.000 2.254 568 R HA 0.365 4.702 4.340 -0.004 0.000 0.193 568 R C 0.736 177.250 176.300 0.356 0.000 0.929 568 R CA 0.362 56.589 56.100 0.213 0.000 1.038 568 R CB 0.405 30.838 30.300 0.222 0.000 1.009 568 R HN 0.906 nan 8.270 nan 0.000 0.512 569 G N 1.802 110.697 108.800 0.158 0.000 2.545 569 G HA2 -0.275 3.682 3.960 -0.004 0.000 0.216 569 G HA3 -0.275 3.682 3.960 -0.004 0.000 0.216 569 G C -1.082 173.524 174.900 -0.489 0.000 1.314 569 G CA -0.281 44.761 45.100 -0.098 0.000 0.906 569 G HN 0.419 nan 8.290 nan 0.000 0.563 570 R N -1.549 118.229 120.500 -1.204 0.000 2.728 570 R HA 0.681 5.019 4.340 -0.004 0.000 0.274 570 R C -0.661 174.777 176.300 -1.435 0.000 1.032 570 R CA -1.056 54.148 56.100 -1.495 0.000 0.866 570 R CB 0.915 30.839 30.300 -0.626 0.000 1.263 570 R HN 0.560 nan 8.270 nan 0.000 0.475 571 K N 0.879 120.703 120.400 -0.959 0.000 2.451 571 K HA 0.279 4.597 4.320 -0.004 0.000 0.280 571 K C -0.088 176.337 176.600 -0.291 0.000 1.020 571 K CA 0.328 56.389 56.287 -0.376 0.000 1.008 571 K CB 0.988 33.434 32.500 -0.090 0.000 0.917 571 K HN 0.642 nan 8.250 nan 0.000 0.478 572 A N 2.782 125.471 122.820 -0.218 0.000 2.425 572 A HA 0.126 4.443 4.320 -0.004 0.000 0.249 572 A C 0.301 177.786 177.584 -0.166 0.000 1.084 572 A CA -0.299 51.623 52.037 -0.192 0.000 0.781 572 A CB 0.199 19.085 19.000 -0.190 0.000 1.019 572 A HN 0.790 nan 8.150 nan 0.000 0.490 573 S N 1.875 117.488 115.700 -0.145 0.000 2.600 573 S HA 0.273 4.741 4.470 -0.004 0.000 0.265 573 S C 0.959 175.490 174.600 -0.115 0.000 1.325 573 S CA -0.604 57.529 58.200 -0.113 0.000 1.002 573 S CB 0.364 63.507 63.200 -0.095 0.000 0.921 573 S HN 0.498 nan 8.310 nan 0.000 0.554 574 L N 1.334 122.507 121.223 -0.084 0.000 2.083 574 L HA -0.045 4.293 4.340 -0.004 0.000 0.209 574 L C 2.629 179.467 176.870 -0.054 0.000 1.083 574 L CA 1.717 56.513 54.840 -0.073 0.000 0.752 574 L CB -1.691 40.345 42.059 -0.038 0.000 0.899 574 L HN 0.845 nan 8.230 nan 0.000 0.433 575 E N -0.679 119.495 120.200 -0.043 0.000 2.085 575 E HA -0.240 4.107 4.350 -0.004 0.000 0.194 575 E C 2.042 178.627 176.600 -0.025 0.000 0.994 575 E CA 1.386 57.771 56.400 -0.026 0.000 0.801 575 E CB -0.084 29.601 29.700 -0.026 0.000 0.743 575 E HN 0.569 nan 8.360 nan 0.000 0.453 576 E N 0.683 120.854 120.200 -0.048 0.000 2.058 576 E HA -0.194 4.153 4.350 -0.004 0.000 0.194 576 E C 2.235 178.819 176.600 -0.026 0.000 0.997 576 E CA 0.909 57.286 56.400 -0.038 0.000 0.801 576 E CB -0.130 29.529 29.700 -0.069 0.000 0.746 576 E HN 0.236 nan 8.360 nan 0.000 0.450 577 L N 0.667 121.842 121.223 -0.079 0.000 2.042 577 L HA -0.237 4.100 4.340 -0.004 0.000 0.210 577 L C 2.463 179.387 176.870 0.090 0.000 1.076 577 L CA 1.265 56.066 54.840 -0.066 0.000 0.749 577 L CB -0.372 41.482 42.059 -0.343 0.000 0.893 577 L HN 0.141 nan 8.230 nan 0.000 0.432 578 Q N -0.399 119.427 119.800 0.043 0.000 2.436 578 Q HA -0.110 4.227 4.340 -0.004 0.000 0.209 578 Q C 2.308 178.336 176.000 0.047 0.000 0.965 578 Q CA 1.093 56.933 55.803 0.062 0.000 0.910 578 Q CB 0.049 28.812 28.738 0.041 0.000 0.980 578 Q HN 0.606 nan 8.270 nan 0.000 0.491 579 S N -1.232 114.487 115.700 0.033 0.000 2.440 579 S HA -0.094 4.373 4.470 -0.004 0.000 0.238 579 S C 1.602 176.194 174.600 -0.013 0.000 1.010 579 S CA 1.108 59.322 58.200 0.022 0.000 0.972 579 S CB 0.143 63.364 63.200 0.035 0.000 0.774 579 S HN 0.178 nan 8.310 nan 0.000 0.501 580 V N -0.265 119.618 119.914 -0.052 0.000 3.350 580 V HA 0.284 4.402 4.120 -0.004 0.000 0.246 580 V C 0.247 176.159 176.094 -0.303 0.000 1.363 580 V CA -0.015 62.148 62.300 -0.228 0.000 1.162 580 V CB 0.105 31.705 31.823 -0.371 0.000 0.947 580 V HN 0.510 nan 8.190 nan 0.000 0.454 581 H N 0.680 119.748 119.070 -0.004 0.000 2.573 581 H HA 0.543 5.096 4.556 -0.004 0.000 0.351 581 H C 0.125 175.264 175.328 -0.316 0.000 1.163 581 H CA 0.193 56.137 56.048 -0.173 0.000 1.205 581 H CB 1.938 31.757 29.762 0.095 0.000 1.605 581 H HN 0.358 nan 8.280 nan 0.000 0.525 582 S N 0.507 115.854 115.700 -0.589 0.000 2.593 582 S HA -0.021 4.446 4.470 -0.004 0.000 0.269 582 S C 1.317 175.914 174.600 -0.006 0.000 1.334 582 S CA -0.464 57.531 58.200 -0.341 0.000 1.015 582 S CB 1.442 64.446 63.200 -0.327 0.000 0.912 582 S HN 0.800 nan 8.310 nan 0.000 0.541 583 E N 1.262 121.479 120.200 0.028 0.000 2.070 583 E HA -0.260 4.088 4.350 -0.004 0.000 0.197 583 E C 2.013 178.640 176.600 0.045 0.000 1.004 583 E CA 1.728 58.154 56.400 0.044 0.000 0.805 583 E CB -0.074 29.646 29.700 0.033 0.000 0.744 583 E HN 0.736 nan 8.360 nan 0.000 0.451 584 R N -0.808 119.714 120.500 0.036 0.000 2.073 584 R HA -0.134 4.203 4.340 -0.004 0.000 0.234 584 R C 2.315 178.630 176.300 0.026 0.000 1.134 584 R CA 1.812 57.921 56.100 0.014 0.000 0.952 584 R CB -1.059 29.248 30.300 0.012 0.000 0.850 584 R HN 0.324 nan 8.270 nan 0.000 0.433 585 H N 0.349 119.424 119.070 0.009 0.000 2.319 585 H HA -0.065 4.488 4.556 -0.004 0.000 0.299 585 H C 1.713 177.157 175.328 0.193 0.000 1.092 585 H CA 2.056 58.167 56.048 0.105 0.000 1.302 585 H CB -0.010 29.829 29.762 0.129 0.000 1.373 585 H HN -0.010 nan 8.280 nan 0.000 0.497 586 V N 0.530 120.600 119.914 0.261 0.000 2.343 586 V HA -0.240 3.877 4.120 -0.004 0.000 0.247 586 V C 2.665 178.821 176.094 0.104 0.000 1.051 586 V CA 1.717 64.159 62.300 0.236 0.000 1.036 586 V CB -0.605 31.311 31.823 0.156 0.000 0.654 586 V HN 0.408 nan 8.190 nan 0.000 0.451 587 L N -0.857 120.380 121.223 0.023 0.000 1.994 587 L HA -0.203 4.135 4.340 -0.004 0.000 0.208 587 L C 2.499 179.307 176.870 -0.104 0.000 1.071 587 L CA 1.429 56.253 54.840 -0.027 0.000 0.745 587 L CB -0.624 41.411 42.059 -0.040 0.000 0.892 587 L HN 0.341 nan 8.230 nan 0.000 0.431 588 L N -0.897 120.174 121.223 -0.254 0.000 2.042 588 L HA -0.243 4.094 4.340 -0.004 0.000 0.210 588 L C 1.961 178.443 176.870 -0.648 0.000 1.076 588 L CA 2.077 56.586 54.840 -0.552 0.000 0.749 588 L CB -0.553 40.988 42.059 -0.863 0.000 0.893 588 L HN 0.189 nan 8.230 nan 0.000 0.432 589 Y N -2.031 118.146 120.300 -0.204 0.000 2.442 589 Y HA 0.376 4.924 4.550 -0.004 0.000 0.250 589 Y C 2.142 178.264 175.900 0.370 0.000 1.113 589 Y CA 0.315 58.337 58.100 -0.129 0.000 1.273 589 Y CB -0.167 37.957 38.460 -0.560 0.000 1.138 589 Y HN 0.128 nan 8.280 nan 0.000 0.522 590 G N -0.518 108.553 108.800 0.451 0.000 3.020 590 G HA2 0.147 4.105 3.960 -0.004 0.000 0.217 590 G HA3 0.147 4.105 3.960 -0.004 0.000 0.217 590 G C 0.329 175.329 174.900 0.167 0.000 1.144 590 G CA 0.558 45.861 45.100 0.339 0.000 0.760 590 G HN 0.236 nan 8.290 nan 0.000 0.548 591 T N -2.141 112.494 114.554 0.133 0.000 2.900 591 T HA 0.477 4.824 4.350 -0.004 0.000 0.295 591 T C -0.785 173.958 174.700 0.072 0.000 1.044 591 T CA -0.886 61.258 62.100 0.073 0.000 0.995 591 T CB 2.287 71.174 68.868 0.032 0.000 1.072 591 T HN -0.038 nan 8.240 nan 0.000 0.473 592 N N 2.651 121.380 118.700 0.048 0.000 2.483 592 N HA 0.261 4.999 4.740 -0.004 0.000 0.264 592 N C -1.540 173.983 175.510 0.023 0.000 1.197 592 N CA -1.592 51.480 53.050 0.036 0.000 0.927 592 N CB 0.934 39.432 38.487 0.018 0.000 1.065 592 N HN 0.401 nan 8.380 nan 0.000 0.461 593 P HA -0.103 nan 4.420 nan 0.000 0.222 593 P C 0.769 178.068 177.300 -0.002 0.000 1.147 593 P CA 1.026 64.130 63.100 0.007 0.000 0.790 593 P CB 0.269 31.978 31.700 0.015 0.000 0.780 594 L N -1.264 119.959 121.223 -0.000 0.000 2.375 594 L HA 0.032 4.370 4.340 -0.004 0.000 0.215 594 L C 1.576 178.443 176.870 -0.004 0.000 1.108 594 L CA 0.197 55.035 54.840 -0.004 0.000 0.830 594 L CB -0.443 41.613 42.059 -0.005 0.000 0.959 594 L HN 0.044 nan 8.230 nan 0.000 0.457 615 M N 5.294 124.918 119.600 0.040 0.000 2.180 615 M HA 0.648 5.126 4.480 -0.004 0.000 0.358 615 M C -1.076 175.254 176.300 0.050 0.000 1.233 615 M CA 0.222 55.549 55.300 0.045 0.000 1.114 615 M CB 0.685 33.305 32.600 0.032 0.000 1.594 615 M HN 0.524 nan 8.290 nan 0.000 0.467 616 L N 7.411 128.672 121.223 0.063 0.000 2.344 616 L HA 0.483 4.821 4.340 -0.004 0.000 0.272 616 L C -1.459 175.446 176.870 0.060 0.000 1.035 616 L CA -1.758 53.125 54.840 0.072 0.000 0.807 616 L CB 0.944 43.069 42.059 0.110 0.000 1.237 616 L HN 0.584 nan 8.230 nan 0.000 0.442 617 P HA -0.189 nan 4.420 nan 0.000 0.217 617 P C 1.401 178.724 177.300 0.039 0.000 1.148 617 P CA 1.261 64.383 63.100 0.036 0.000 0.834 617 P CB -0.048 31.667 31.700 0.026 0.000 0.783 618 C N -3.761 115.575 119.300 0.059 0.000 2.514 618 C HA 0.543 5.000 4.460 -0.004 0.000 0.271 618 C C 2.084 177.112 174.990 0.064 0.000 1.399 618 C CA 0.243 59.300 59.018 0.065 0.000 1.765 618 C CB -1.251 26.556 27.740 0.111 0.000 1.893 618 C HN 0.423 nan 8.230 nan 0.000 0.531 619 G N 0.098 108.936 108.800 0.063 0.000 2.213 619 G HA2 0.027 3.984 3.960 -0.004 0.000 0.236 619 G HA3 0.027 3.984 3.960 -0.004 0.000 0.236 619 G C 0.564 175.498 174.900 0.057 0.000 0.991 619 G CA 0.215 45.346 45.100 0.052 0.000 0.629 619 G HN 1.177 nan 8.290 nan 0.000 0.517 620 G N -0.691 108.152 108.800 0.072 0.000 2.684 620 G HA2 0.547 4.504 3.960 -0.004 0.000 0.255 620 G HA3 0.547 4.504 3.960 -0.004 0.000 0.255 620 G C 0.268 175.216 174.900 0.080 0.000 1.219 620 G CA 0.362 45.499 45.100 0.063 0.000 0.901 620 G HN 0.980 nan 8.290 nan 0.000 0.548 621 V N -0.264 119.709 119.914 0.099 0.000 2.716 621 V HA 0.805 4.923 4.120 -0.004 0.000 0.304 621 V C 0.897 177.109 176.094 0.195 0.000 1.053 621 V CA 0.446 62.831 62.300 0.143 0.000 0.984 621 V CB 1.250 33.181 31.823 0.181 0.000 1.021 621 V HN 1.177 nan 8.190 nan 0.000 0.467 622 G N 0.777 109.690 108.800 0.189 0.000 2.684 622 G HA2 0.504 4.461 3.960 -0.004 0.000 0.290 622 G HA3 0.504 4.461 3.960 -0.004 0.000 0.290 622 G C 0.193 175.193 174.900 0.166 0.000 1.425 622 G CA 0.190 45.422 45.100 0.221 0.000 0.822 622 G HN 0.882 nan 8.290 nan 0.000 0.482 623 V N -1.798 118.219 119.914 0.171 0.000 2.599 623 V HA 0.313 4.430 4.120 -0.004 0.000 0.245 623 V C 0.557 176.672 176.094 0.034 0.000 1.046 623 V CA 2.302 64.655 62.300 0.087 0.000 1.065 623 V CB -0.543 31.322 31.823 0.071 0.000 0.703 623 V HN 0.875 nan 8.190 nan 0.000 0.464 624 D N -1.600 118.815 120.400 0.025 0.000 2.958 624 D HA 0.219 4.856 4.640 -0.004 0.000 0.306 624 D C 1.034 177.346 176.300 0.020 0.000 1.226 624 D CA 0.362 54.362 54.000 0.001 0.000 1.032 624 D CB 0.726 41.499 40.800 -0.045 0.000 1.400 624 D HN -0.041 nan 8.370 nan 0.000 0.587 625 T N -2.311 112.239 114.554 -0.006 0.000 3.023 625 T HA -0.029 4.318 4.350 -0.004 0.000 0.266 625 T C 0.397 175.123 174.700 0.042 0.000 1.093 625 T CA 1.451 63.563 62.100 0.020 0.000 1.129 625 T CB -0.461 68.405 68.868 -0.004 0.000 0.899 625 T HN 0.327 nan 8.240 nan 0.000 0.491 626 D N 0.939 121.317 120.400 -0.038 0.000 2.262 626 D HA 0.072 4.710 4.640 -0.004 0.000 0.212 626 D C 0.467 176.861 176.300 0.156 0.000 0.964 626 D CA 0.678 54.665 54.000 -0.022 0.000 0.875 626 D CB -0.120 40.357 40.800 -0.538 0.000 0.996 626 D HN 0.342 nan 8.370 nan 0.000 0.497 627 T N 3.102 117.686 114.554 0.050 0.000 2.794 627 T HA 0.351 4.699 4.350 -0.004 0.000 0.304 627 T C 0.603 175.471 174.700 0.281 0.000 0.973 627 T CA -0.523 61.660 62.100 0.138 0.000 0.972 627 T CB 0.143 68.939 68.868 -0.119 0.000 0.952 627 T HN 0.038 nan 8.240 nan 0.000 0.509 628 I N -0.456 120.331 120.570 0.361 0.000 2.823 628 I HA 0.555 4.723 4.170 -0.004 0.000 0.290 628 I C -0.374 176.083 176.117 0.566 0.000 1.091 628 I CA -0.901 60.570 61.300 0.284 0.000 1.365 628 I CB 0.813 38.773 38.000 -0.066 0.000 1.427 628 I HN 0.647 nan 8.210 nan 0.000 0.583 629 W N 5.819 127.219 121.300 0.167 0.000 2.554 629 W HA 0.368 5.026 4.660 -0.004 0.000 0.324 629 W C -1.151 175.396 176.519 0.047 0.000 1.018 629 W CA -0.816 56.616 57.345 0.145 0.000 1.243 629 W CB 1.541 31.094 29.460 0.155 0.000 1.345 629 W HN 0.687 nan 8.180 nan 0.000 0.441 630 N N 3.961 122.402 118.700 -0.432 0.000 2.439 630 N HA 0.035 4.773 4.740 -0.004 0.000 0.249 630 N C 0.596 175.715 175.510 -0.652 0.000 1.003 630 N CA 0.336 53.157 53.050 -0.382 0.000 0.942 630 N CB 1.128 39.474 38.487 -0.236 0.000 1.115 630 N HN 0.540 nan 8.380 nan 0.000 0.505 631 E N 2.696 122.677 120.200 -0.365 0.000 2.265 631 E HA -0.104 4.244 4.350 -0.004 0.000 0.196 631 E C 1.145 177.562 176.600 -0.306 0.000 0.996 631 E CA 0.955 57.203 56.400 -0.252 0.000 0.832 631 E CB 0.339 30.024 29.700 -0.025 0.000 0.756 631 E HN 0.649 nan 8.360 nan 0.000 0.491 632 L N -0.509 120.454 121.223 -0.433 0.000 2.298 632 L HA 0.025 4.363 4.340 -0.004 0.000 0.209 632 L C 1.779 178.288 176.870 -0.601 0.000 1.084 632 L CA 0.612 55.104 54.840 -0.581 0.000 0.816 632 L CB 0.019 41.527 42.059 -0.918 0.000 0.967 632 L HN 0.230 nan 8.230 nan 0.000 0.460 633 H N -2.234 116.657 119.070 -0.298 0.000 3.058 633 H HA 0.252 4.805 4.556 -0.004 0.000 0.258 633 H C 2.211 177.318 175.328 -0.368 0.000 1.015 633 H CA 0.143 56.031 56.048 -0.267 0.000 1.210 633 H CB 0.740 30.382 29.762 -0.200 0.000 1.481 633 H HN 0.057 nan 8.280 nan 0.000 0.492 634 S N 0.589 115.943 115.700 -0.576 0.000 2.368 634 S HA -0.152 4.315 4.470 -0.004 0.000 0.224 634 S C 2.333 176.485 174.600 -0.746 0.000 1.029 634 S CA 1.335 59.051 58.200 -0.808 0.000 0.988 634 S CB 0.018 62.364 63.200 -1.423 0.000 0.838 634 S HN 0.392 nan 8.310 nan 0.000 0.462 635 S N 1.970 117.283 115.700 -0.646 0.000 2.370 635 S HA -0.180 4.287 4.470 -0.004 0.000 0.226 635 S C 1.579 176.210 174.600 0.052 0.000 1.033 635 S CA 1.788 59.993 58.200 0.009 0.000 1.011 635 S CB -0.664 62.684 63.200 0.246 0.000 0.852 635 S HN 0.625 nan 8.310 nan 0.000 0.457 636 N N 0.989 119.681 118.700 -0.014 0.000 2.120 636 N HA -0.020 4.718 4.740 -0.004 0.000 0.188 636 N C 2.098 177.663 175.510 0.091 0.000 1.024 636 N CA 1.084 54.171 53.050 0.062 0.000 0.852 636 N CB -0.367 38.144 38.487 0.039 0.000 1.003 636 N HN 0.511 nan 8.380 nan 0.000 0.424 637 A N 1.360 124.171 122.820 -0.014 0.000 1.877 637 A HA -0.013 4.304 4.320 -0.004 0.000 0.216 637 A C 2.373 179.994 177.584 0.061 0.000 1.186 637 A CA 1.672 53.705 52.037 -0.007 0.000 0.620 637 A CB -1.012 17.936 19.000 -0.086 0.000 0.822 637 A HN 0.332 nan 8.150 nan 0.000 0.443 638 A N -0.177 122.640 122.820 -0.006 0.000 1.892 638 A HA -0.226 4.091 4.320 -0.004 0.000 0.218 638 A C 2.255 180.035 177.584 0.325 0.000 1.188 638 A CA 1.785 53.932 52.037 0.183 0.000 0.631 638 A CB -0.536 18.567 19.000 0.171 0.000 0.822 638 A HN 0.552 nan 8.150 nan 0.000 0.447 639 R N -1.980 118.683 120.500 0.272 0.000 2.120 639 R HA -0.156 4.181 4.340 -0.004 0.000 0.234 639 R C 2.148 178.499 176.300 0.085 0.000 1.123 639 R CA 1.319 57.481 56.100 0.104 0.000 0.975 639 R CB -0.288 30.045 30.300 0.055 0.000 0.866 639 R HN 0.849 nan 8.270 nan 0.000 0.446 640 W N 1.048 122.343 121.300 -0.009 0.000 2.409 640 W HA -0.078 4.580 4.660 -0.004 0.000 0.299 640 W C 1.992 178.498 176.519 -0.022 0.000 1.203 640 W CA 1.493 58.817 57.345 -0.036 0.000 1.298 640 W CB -0.166 29.255 29.460 -0.067 0.000 1.127 640 W HN 0.127 nan 8.180 nan 0.000 0.528 641 A N 0.814 123.769 122.820 0.224 0.000 1.877 641 A HA -0.119 4.198 4.320 -0.004 0.000 0.216 641 A C 2.152 179.780 177.584 0.074 0.000 1.186 641 A CA 2.795 54.923 52.037 0.150 0.000 0.620 641 A CB -1.285 17.806 19.000 0.153 0.000 0.822 641 A HN 0.236 nan 8.150 nan 0.000 0.443 642 A N -0.647 122.220 122.820 0.078 0.000 1.873 642 A HA 0.170 4.487 4.320 -0.004 0.000 0.215 642 A C 2.424 179.981 177.584 -0.045 0.000 1.186 642 A CA 1.836 53.899 52.037 0.044 0.000 0.616 642 A CB -1.387 17.649 19.000 0.060 0.000 0.823 642 A HN 0.763 nan 8.150 nan 0.000 0.442 643 G N -0.804 107.912 108.800 -0.141 0.000 2.432 643 G HA2 -0.089 3.868 3.960 -0.004 0.000 0.219 643 G HA3 -0.089 3.868 3.960 -0.004 0.000 0.219 643 G C 1.740 176.493 174.900 -0.246 0.000 1.135 643 G CA 1.326 46.285 45.100 -0.236 0.000 0.767 643 G HN 0.495 nan 8.290 nan 0.000 0.550 644 S N -0.010 115.542 115.700 -0.247 0.000 2.371 644 S HA -0.061 4.407 4.470 -0.004 0.000 0.224 644 S C 2.507 177.086 174.600 -0.035 0.000 1.029 644 S CA 0.937 59.043 58.200 -0.156 0.000 0.978 644 S CB -0.202 62.944 63.200 -0.090 0.000 0.833 644 S HN 0.179 nan 8.310 nan 0.000 0.466 645 V N 2.221 122.133 119.914 -0.004 0.000 2.332 645 V HA -0.213 3.904 4.120 -0.004 0.000 0.248 645 V C 2.544 178.668 176.094 0.051 0.000 1.055 645 V CA 2.181 64.496 62.300 0.025 0.000 1.038 645 V CB -1.481 30.357 31.823 0.026 0.000 0.651 645 V HN 0.507 nan 8.190 nan 0.000 0.450 646 T N -0.477 114.107 114.554 0.049 0.000 2.652 646 T HA -0.265 4.082 4.350 -0.004 0.000 0.267 646 T C 1.720 176.520 174.700 0.168 0.000 1.039 646 T CA 2.032 64.205 62.100 0.123 0.000 1.153 646 T CB -0.454 68.442 68.868 0.047 0.000 0.863 646 T HN 0.585 nan 8.240 nan 0.000 0.428 647 D N 0.466 120.877 120.400 0.017 0.000 2.116 647 D HA -0.105 4.532 4.640 -0.004 0.000 0.193 647 D C 1.967 178.329 176.300 0.104 0.000 0.998 647 D CA 0.728 54.732 54.000 0.008 0.000 0.836 647 D CB -0.290 40.461 40.800 -0.083 0.000 0.951 647 D HN 0.137 nan 8.370 nan 0.000 0.449 648 L N 0.329 121.603 121.223 0.085 0.000 2.046 648 L HA 0.013 4.351 4.340 -0.004 0.000 0.208 648 L C 2.145 179.081 176.870 0.110 0.000 1.077 648 L CA 2.054 56.952 54.840 0.097 0.000 0.747 648 L CB -1.033 41.076 42.059 0.084 0.000 0.896 648 L HN 0.088 nan 8.230 nan 0.000 0.432 649 A N -0.895 121.994 122.820 0.115 0.000 1.917 649 A HA -0.260 4.057 4.320 -0.004 0.000 0.219 649 A C 2.172 179.785 177.584 0.048 0.000 1.182 649 A CA 2.164 54.243 52.037 0.071 0.000 0.633 649 A CB -1.180 17.853 19.000 0.054 0.000 0.819 649 A HN 0.465 nan 8.150 nan 0.000 0.448 650 F N 0.174 120.129 119.950 0.008 0.000 2.102 650 F HA -0.134 4.390 4.527 -0.005 0.000 0.298 650 F C 2.383 178.199 175.800 0.025 0.000 1.105 650 F CA 2.032 60.039 58.000 0.012 0.000 1.239 650 F CB -0.142 38.858 39.000 0.001 0.000 0.991 650 F HN 0.136 nan 8.300 nan 0.000 0.474 651 K N -0.364 120.161 120.400 0.208 0.000 2.148 651 K HA -0.101 4.216 4.320 -0.004 0.000 0.204 651 K C 1.994 178.661 176.600 0.113 0.000 1.050 651 K CA 1.270 57.643 56.287 0.143 0.000 0.942 651 K CB -0.417 32.155 32.500 0.121 0.000 0.724 651 K HN 0.138 nan 8.250 nan 0.000 0.446 652 V N 1.134 121.101 119.914 0.088 0.000 2.407 652 V HA -0.163 3.955 4.120 -0.004 0.000 0.245 652 V C 2.287 178.414 176.094 0.054 0.000 1.041 652 V CA 1.859 64.200 62.300 0.069 0.000 1.040 652 V CB -0.396 31.455 31.823 0.047 0.000 0.671 652 V HN 0.310 nan 8.190 nan 0.000 0.455 653 A N 0.731 123.552 122.820 0.000 0.000 1.969 653 A HA -0.174 4.143 4.320 -0.004 0.000 0.218 653 A C 2.458 180.035 177.584 -0.012 0.000 1.169 653 A CA 1.940 53.947 52.037 -0.049 0.000 0.635 653 A CB -0.654 18.239 19.000 -0.178 0.000 0.810 653 A HN 0.672 nan 8.150 nan 0.000 0.445 654 S N -1.464 114.250 115.700 0.025 0.000 2.555 654 S HA -0.085 4.382 4.470 -0.004 0.000 0.230 654 S C 0.942 175.592 174.600 0.082 0.000 0.978 654 S CA 0.752 58.985 58.200 0.054 0.000 0.934 654 S CB -0.203 63.047 63.200 0.082 0.000 0.766 654 S HN 0.499 nan 8.310 nan 0.000 0.533 655 R N 0.242 120.818 120.500 0.127 0.000 3.953 655 R HA -0.222 4.115 4.340 -0.004 0.000 0.340 655 R C 0.823 177.295 176.300 0.287 0.000 1.195 655 R CA 1.261 57.504 56.100 0.238 0.000 0.929 655 R CB -2.646 27.756 30.300 0.170 0.000 1.402 655 R HN 0.863 nan 8.270 nan 0.000 0.540 656 E N 0.195 120.517 120.200 0.205 0.000 2.031 656 E HA -0.115 4.232 4.350 -0.004 0.000 0.193 656 E C 0.187 176.953 176.600 0.277 0.000 0.994 656 E CA 0.884 57.406 56.400 0.203 0.000 0.800 656 E CB 0.115 29.897 29.700 0.137 0.000 0.752 656 E HN 0.123 nan 8.360 nan 0.000 0.447 657 L N 0.972 122.312 121.223 0.194 0.000 2.360 657 L HA 0.203 4.540 4.340 -0.004 0.000 0.271 657 L C 1.108 177.968 176.870 -0.016 0.000 1.057 657 L CA 0.418 55.311 54.840 0.087 0.000 0.803 657 L CB 1.421 43.515 42.059 0.059 0.000 1.207 657 L HN 0.012 nan 8.230 nan 0.000 0.445 658 K N 1.301 121.456 120.400 -0.408 0.000 2.076 658 K HA -0.016 4.301 4.320 -0.004 0.000 0.204 658 K C -0.050 176.443 176.600 -0.179 0.000 1.051 658 K CA 1.032 56.943 56.287 -0.627 0.000 0.949 658 K CB 0.300 32.172 32.500 -1.046 0.000 0.726 658 K HN 0.895 nan 8.250 nan 0.000 0.443 659 N N -2.307 116.332 118.700 -0.101 0.000 3.339 659 N HA 0.361 5.099 4.740 -0.004 0.000 0.275 659 N C -1.136 174.402 175.510 0.048 0.000 1.514 659 N CA -0.449 52.600 53.050 -0.001 0.000 0.879 659 N CB 0.887 39.386 38.487 0.020 0.000 1.557 659 N HN 0.034 nan 8.380 nan 0.000 0.524 660 G N -1.829 107.032 108.800 0.102 0.000 2.632 660 G HA2 0.547 4.505 3.960 -0.004 0.000 0.292 660 G HA3 0.547 4.505 3.960 -0.004 0.000 0.292 660 G C -2.417 172.622 174.900 0.232 0.000 1.465 660 G CA -0.769 44.424 45.100 0.154 0.000 0.824 660 G HN 0.566 nan 8.290 nan 0.000 0.509 661 F N 1.346 121.368 119.950 0.120 0.000 2.562 661 F HA 0.726 5.251 4.527 -0.003 0.000 0.319 661 F C -0.065 175.831 175.800 0.159 0.000 1.154 661 F CA -0.847 57.242 58.000 0.147 0.000 0.931 661 F CB 1.997 41.104 39.000 0.178 0.000 1.198 661 F HN 0.784 nan 8.300 nan 0.000 0.444 662 A N 5.459 128.341 122.820 0.103 0.000 2.249 662 A HA 0.623 4.940 4.320 -0.004 0.000 0.314 662 A C -1.086 176.642 177.584 0.239 0.000 1.290 662 A CA -0.581 51.565 52.037 0.182 0.000 0.893 662 A CB 0.606 19.648 19.000 0.069 0.000 1.165 662 A HN 0.561 nan 8.150 nan 0.000 0.530 663 V N 4.875 125.028 119.914 0.400 0.000 2.162 663 V HA 0.263 4.380 4.120 -0.004 0.000 0.255 663 V C 0.338 176.590 176.094 0.264 0.000 1.304 663 V CA -0.090 62.475 62.300 0.441 0.000 1.198 663 V CB -0.538 31.612 31.823 0.545 0.000 1.333 663 V HN 0.736 nan 8.190 nan 0.000 0.493 664 V N 2.691 122.711 119.914 0.177 0.000 2.769 664 V HA 0.931 5.049 4.120 -0.004 0.000 0.312 664 V C -0.335 175.821 176.094 0.104 0.000 1.058 664 V CA -0.974 61.395 62.300 0.115 0.000 0.952 664 V CB 2.022 33.905 31.823 0.099 0.000 1.019 664 V HN 0.877 nan 8.190 nan 0.000 0.445 665 R N 2.134 122.687 120.500 0.088 0.000 2.710 665 R HA 0.683 5.021 4.340 -0.004 0.000 0.270 665 R C -3.221 173.132 176.300 0.088 0.000 1.021 665 R CA -1.668 54.492 56.100 0.100 0.000 0.889 665 R CB 1.762 32.121 30.300 0.099 0.000 1.243 665 R HN 0.520 nan 8.270 nan 0.000 0.464 666 P HA 0.137 nan 4.420 nan 0.000 0.271 666 P C -2.349 175.053 177.300 0.170 0.000 1.233 666 P CA -0.908 62.294 63.100 0.171 0.000 0.789 666 P CB 0.137 31.956 31.700 0.200 0.000 0.951 667 P HA 0.116 nan 4.420 nan 0.000 0.277 667 P C 0.546 177.940 177.300 0.157 0.000 1.276 667 P CA 0.129 63.313 63.100 0.141 0.000 0.788 667 P CB 0.308 32.106 31.700 0.163 0.000 1.114 668 G N -1.850 107.028 108.800 0.131 0.000 2.797 668 G HA2 -0.026 3.931 3.960 -0.004 0.000 0.209 668 G HA3 -0.026 3.931 3.960 -0.004 0.000 0.209 668 G C 1.085 176.072 174.900 0.144 0.000 1.080 668 G CA 0.343 45.531 45.100 0.147 0.000 0.897 668 G HN 0.735 nan 8.290 nan 0.000 0.641 669 H N -1.363 117.653 119.070 -0.091 0.000 2.491 669 H HA 0.101 4.655 4.556 -0.004 0.000 0.290 669 H C 1.818 176.990 175.328 -0.260 0.000 1.050 669 H CA 0.912 56.847 56.048 -0.188 0.000 1.309 669 H CB -0.131 29.505 29.762 -0.210 0.000 1.392 669 H HN 0.289 nan 8.280 nan 0.000 0.554 670 H N 0.931 119.922 119.070 -0.131 0.000 2.548 670 H HA 0.317 4.870 4.556 -0.004 0.000 0.268 670 H C 0.733 175.975 175.328 -0.143 0.000 0.975 670 H CA 0.528 56.452 56.048 -0.207 0.000 1.195 670 H CB -0.017 29.666 29.762 -0.131 0.000 1.397 670 H HN 0.509 nan 8.280 nan 0.000 0.572 671 A N 2.443 125.271 122.820 0.012 0.000 2.354 671 A HA 0.243 4.561 4.320 -0.004 0.000 0.281 671 A C 0.159 177.751 177.584 0.014 0.000 1.174 671 A CA -0.504 51.528 52.037 -0.009 0.000 0.828 671 A CB 0.092 19.101 19.000 0.015 0.000 1.099 671 A HN 0.363 nan 8.150 nan 0.000 0.516 672 D N 0.088 120.454 120.400 -0.058 0.000 2.569 672 D HA 0.122 4.760 4.640 -0.004 0.000 0.266 672 D C 1.173 177.408 176.300 -0.109 0.000 1.164 672 D CA -0.329 53.612 54.000 -0.098 0.000 1.071 672 D CB 0.055 40.785 40.800 -0.116 0.000 1.183 672 D HN 0.518 nan 8.370 nan 0.000 0.613 673 H N -0.562 118.365 119.070 -0.238 0.000 2.357 673 H HA -0.164 4.389 4.556 -0.004 0.000 0.296 673 H C 0.204 175.446 175.328 -0.142 0.000 1.108 673 H CA 2.151 58.062 56.048 -0.229 0.000 1.273 673 H CB 0.233 29.880 29.762 -0.192 0.000 1.367 673 H HN 0.422 nan 8.280 nan 0.000 0.498 674 S N -0.205 115.417 115.700 -0.130 0.000 2.901 674 S HA 0.269 4.737 4.470 -0.004 0.000 0.248 674 S C -0.637 173.960 174.600 -0.005 0.000 1.021 674 S CA -0.640 57.494 58.200 -0.111 0.000 1.090 674 S CB 0.571 63.785 63.200 0.023 0.000 1.039 674 S HN 0.202 nan 8.310 nan 0.000 0.514 675 T N 1.831 116.306 114.554 -0.131 0.000 2.991 675 T HA 0.733 5.080 4.350 -0.004 0.000 0.303 675 T C -0.564 174.099 174.700 -0.061 0.000 1.015 675 T CA -0.501 61.585 62.100 -0.024 0.000 1.007 675 T CB 1.647 70.484 68.868 -0.051 0.000 1.034 675 T HN 0.522 nan 8.240 nan 0.000 0.446 676 A N 4.684 127.475 122.820 -0.048 0.000 2.274 676 A HA 0.930 5.247 4.320 -0.004 0.000 0.309 676 A C -0.120 177.296 177.584 -0.281 0.000 1.226 676 A CA -0.686 51.159 52.037 -0.320 0.000 0.853 676 A CB 0.041 18.598 19.000 -0.739 0.000 1.146 676 A HN 0.987 nan 8.150 nan 0.000 0.518 677 M N 0.353 119.776 119.600 -0.294 0.000 2.790 677 M HA 0.653 5.130 4.480 -0.004 0.000 0.272 677 M C 0.325 176.503 176.300 -0.203 0.000 1.168 677 M CA 0.015 55.189 55.300 -0.210 0.000 0.829 677 M CB 1.213 33.745 32.600 -0.112 0.000 1.675 677 M HN 1.950 nan 8.290 nan 0.000 0.505 678 G N 0.924 109.557 108.800 -0.280 0.000 2.356 678 G HA2 -0.184 3.773 3.960 -0.004 0.000 0.296 678 G HA3 -0.184 3.773 3.960 -0.004 0.000 0.296 678 G C -0.090 174.631 174.900 -0.298 0.000 1.022 678 G CA 0.748 45.555 45.100 -0.488 0.000 0.961 678 G HN 1.471 nan 8.290 nan 0.000 0.510 679 F N -4.226 115.629 119.950 -0.158 0.000 2.656 679 F HA -0.255 4.270 4.527 -0.004 0.000 0.381 679 F C 1.399 177.059 175.800 -0.234 0.000 0.603 679 F CA -0.065 57.871 58.000 -0.107 0.000 1.335 679 F CB -2.127 36.896 39.000 0.039 0.000 1.836 679 F HN 0.549 nan 8.300 nan 0.000 0.290 680 C N 0.546 119.702 119.300 -0.239 0.000 2.411 680 C HA 0.662 5.120 4.460 -0.004 0.000 0.330 680 C C 1.513 176.057 174.990 -0.743 0.000 1.224 680 C CA -0.369 58.498 59.018 -0.252 0.000 1.770 680 C CB 0.777 28.516 27.740 -0.002 0.000 2.297 680 C HN 0.270 nan 8.230 nan 0.000 0.507 681 F N -0.338 119.479 119.950 -0.221 0.000 2.537 681 F HA 0.420 4.945 4.527 -0.004 0.000 0.277 681 F C 0.223 175.605 175.800 -0.696 0.000 1.013 681 F CA 0.003 57.636 58.000 -0.612 0.000 1.332 681 F CB -0.027 38.501 39.000 -0.788 0.000 1.108 681 F HN 0.325 nan 8.300 nan 0.000 0.679 682 F N 0.382 120.383 119.950 0.086 0.000 2.532 682 F HA 0.343 4.867 4.527 -0.005 0.000 0.321 682 F C 0.091 175.991 175.800 0.165 0.000 1.089 682 F CA -1.666 56.309 58.000 -0.042 0.000 0.926 682 F CB 0.651 39.652 39.000 0.001 0.000 1.168 682 F HN -0.250 nan 8.300 nan 0.000 0.459 683 N N 1.439 120.468 118.700 0.548 0.000 2.605 683 N HA 0.046 4.784 4.740 -0.004 0.000 0.258 683 N C 0.719 176.381 175.510 0.253 0.000 1.156 683 N CA 0.265 53.497 53.050 0.303 0.000 1.008 683 N CB 0.599 39.193 38.487 0.178 0.000 1.354 683 N HN 0.595 nan 8.380 nan 0.000 0.509 684 S N 1.396 117.221 115.700 0.210 0.000 2.372 684 S HA -0.153 4.314 4.470 -0.004 0.000 0.227 684 S C 1.967 176.634 174.600 0.112 0.000 1.044 684 S CA 1.239 59.528 58.200 0.149 0.000 1.050 684 S CB -0.024 63.245 63.200 0.115 0.000 0.901 684 S HN 0.422 nan 8.310 nan 0.000 0.447 685 V N 1.829 121.799 119.914 0.094 0.000 2.358 685 V HA -0.171 3.946 4.120 -0.004 0.000 0.246 685 V C 2.661 178.840 176.094 0.142 0.000 1.047 685 V CA 1.635 63.980 62.300 0.075 0.000 1.035 685 V CB -1.240 30.601 31.823 0.030 0.000 0.658 685 V HN 0.562 nan 8.190 nan 0.000 0.452 686 A N -0.045 122.897 122.820 0.204 0.000 1.902 686 A HA -0.161 4.157 4.320 -0.004 0.000 0.217 686 A C 2.171 179.918 177.584 0.272 0.000 1.181 686 A CA 1.835 54.083 52.037 0.351 0.000 0.623 686 A CB -0.539 18.533 19.000 0.120 0.000 0.818 686 A HN 0.503 nan 8.150 nan 0.000 0.443 687 I N -0.200 120.470 120.570 0.166 0.000 2.226 687 I HA -0.297 3.870 4.170 -0.004 0.000 0.245 687 I C 2.955 179.159 176.117 0.145 0.000 1.100 687 I CA 1.113 62.494 61.300 0.135 0.000 1.374 687 I CB -0.335 37.737 38.000 0.121 0.000 1.057 687 I HN 0.362 nan 8.210 nan 0.000 0.413 688 A N -0.291 122.611 122.820 0.137 0.000 1.898 688 A HA -0.272 4.046 4.320 -0.004 0.000 0.216 688 A C 2.538 180.192 177.584 0.117 0.000 1.181 688 A CA 1.805 53.927 52.037 0.141 0.000 0.620 688 A CB -1.293 17.767 19.000 0.099 0.000 0.819 688 A HN 0.624 nan 8.150 nan 0.000 0.442 689 C N -0.431 118.930 119.300 0.102 0.000 2.436 689 C HA -0.093 4.364 4.460 -0.004 0.000 0.277 689 C C 2.847 177.895 174.990 0.096 0.000 1.241 689 C CA 1.332 60.370 59.018 0.033 0.000 1.721 689 C CB -1.215 26.472 27.740 -0.089 0.000 2.043 689 C HN 0.579 nan 8.230 nan 0.000 0.472 690 R N 0.123 120.753 120.500 0.216 0.000 2.091 690 R HA -0.110 4.227 4.340 -0.004 0.000 0.238 690 R C 2.325 178.709 176.300 0.140 0.000 1.136 690 R CA 1.452 57.667 56.100 0.191 0.000 0.959 690 R CB -0.673 29.727 30.300 0.167 0.000 0.856 690 R HN 0.675 nan 8.270 nan 0.000 0.437 691 Q N 0.247 120.151 119.800 0.173 0.000 2.079 691 Q HA -0.071 4.267 4.340 -0.004 0.000 0.200 691 Q C 2.199 178.363 176.000 0.274 0.000 0.974 691 Q CA 0.763 56.722 55.803 0.259 0.000 0.840 691 Q CB -0.333 28.613 28.738 0.347 0.000 0.898 691 Q HN 0.159 nan 8.270 nan 0.000 0.430 692 L N 1.459 122.710 121.223 0.046 0.000 2.013 692 L HA -0.221 4.116 4.340 -0.004 0.000 0.212 692 L C 2.366 179.167 176.870 -0.115 0.000 1.073 692 L CA 1.777 56.453 54.840 -0.273 0.000 0.753 692 L CB -1.179 40.708 42.059 -0.286 0.000 0.890 692 L HN 0.305 nan 8.230 nan 0.000 0.432 693 Q N -1.178 118.604 119.800 -0.029 0.000 2.020 693 Q HA -0.245 4.092 4.340 -0.004 0.000 0.202 693 Q C 2.126 178.140 176.000 0.024 0.000 0.982 693 Q CA 1.687 57.488 55.803 -0.004 0.000 0.838 693 Q CB -0.289 28.463 28.738 0.024 0.000 0.899 693 Q HN 0.604 nan 8.270 nan 0.000 0.423 694 Q N 0.253 120.089 119.800 0.059 0.000 2.135 694 Q HA -0.165 4.173 4.340 -0.004 0.000 0.204 694 Q C 1.686 177.731 176.000 0.076 0.000 0.981 694 Q CA 0.832 56.675 55.803 0.066 0.000 0.856 694 Q CB -0.011 28.771 28.738 0.075 0.000 0.902 694 Q HN 0.333 nan 8.270 nan 0.000 0.425 695 Q N 0.310 120.181 119.800 0.118 0.000 2.322 695 Q HA 0.025 4.362 4.340 -0.004 0.000 0.203 695 Q C 0.250 176.289 176.000 0.065 0.000 0.923 695 Q CA 0.520 56.407 55.803 0.140 0.000 0.949 695 Q CB 0.305 29.248 28.738 0.340 0.000 1.039 695 Q HN 0.475 nan 8.270 nan 0.000 0.496 696 S N -0.487 115.225 115.700 0.021 0.000 3.486 696 S HA -0.242 4.225 4.470 -0.004 0.000 0.371 696 S C 0.776 175.353 174.600 -0.039 0.000 1.001 696 S CA 1.364 59.557 58.200 -0.011 0.000 1.164 696 S CB -1.367 61.833 63.200 -0.001 0.000 0.911 696 S HN 0.345 nan 8.310 nan 0.000 0.472 697 K N 0.527 120.870 120.400 -0.095 0.000 2.354 697 K HA 0.631 4.948 4.320 -0.004 0.000 0.194 697 K C 0.473 176.981 176.600 -0.153 0.000 1.045 697 K CA 0.893 57.090 56.287 -0.151 0.000 1.026 697 K CB 0.706 33.026 32.500 -0.300 0.000 0.866 697 K HN 0.938 nan 8.250 nan 0.000 0.530 698 A N -1.005 121.732 122.820 -0.138 0.000 2.517 698 A HA 0.489 4.807 4.320 -0.004 0.000 0.297 698 A C -0.045 177.487 177.584 -0.086 0.000 1.050 698 A CA -0.664 51.308 52.037 -0.108 0.000 0.694 698 A CB 1.518 20.446 19.000 -0.120 0.000 1.277 698 A HN 0.028 nan 8.150 nan 0.000 0.400 699 S N 0.657 116.309 115.700 -0.080 0.000 2.355 699 S HA 0.112 4.579 4.470 -0.004 0.000 0.216 699 S C 0.767 175.320 174.600 -0.079 0.000 1.037 699 S CA 0.913 59.066 58.200 -0.077 0.000 0.955 699 S CB -0.044 63.105 63.200 -0.085 0.000 0.877 699 S HN 0.621 nan 8.310 nan 0.000 0.488 700 K N 1.477 121.815 120.400 -0.104 0.000 2.307 700 K HA 0.505 4.822 4.320 -0.004 0.000 0.263 700 K C -1.215 175.406 176.600 0.036 0.000 0.973 700 K CA -0.093 56.134 56.287 -0.100 0.000 0.846 700 K CB 1.205 33.452 32.500 -0.422 0.000 1.100 700 K HN 0.199 nan 8.250 nan 0.000 0.438 701 I N 4.512 125.186 120.570 0.172 0.000 2.436 701 I HA 0.240 4.408 4.170 -0.004 0.000 0.289 701 I C -0.784 175.424 176.117 0.152 0.000 1.010 701 I CA -1.232 60.123 61.300 0.092 0.000 1.098 701 I CB 1.626 39.578 38.000 -0.081 0.000 1.266 701 I HN 0.358 nan 8.210 nan 0.000 0.434 702 L N 8.046 129.335 121.223 0.109 0.000 2.275 702 L HA 0.562 4.899 4.340 -0.004 0.000 0.288 702 L C -0.756 176.070 176.870 -0.074 0.000 1.046 702 L CA 0.115 54.950 54.840 -0.009 0.000 0.805 702 L CB 0.887 42.970 42.059 0.040 0.000 1.193 702 L HN 0.390 nan 8.230 nan 0.000 0.426 703 I N 6.085 126.598 120.570 -0.095 0.000 2.355 703 I HA 0.358 4.526 4.170 -0.004 0.000 0.288 703 I C -0.747 175.319 176.117 -0.085 0.000 0.999 703 I CA -0.808 60.466 61.300 -0.044 0.000 1.163 703 I CB 1.712 39.751 38.000 0.065 0.000 1.316 703 I HN 0.280 nan 8.210 nan 0.000 0.454 704 V N 5.153 124.988 119.914 -0.131 0.000 2.394 704 V HA 0.291 4.409 4.120 -0.004 0.000 0.282 704 V C -0.312 175.666 176.094 -0.193 0.000 1.031 704 V CA -0.388 61.808 62.300 -0.174 0.000 0.881 704 V CB 1.763 33.525 31.823 -0.101 0.000 0.982 704 V HN 0.633 nan 8.190 nan 0.000 0.451 705 D N 4.813 125.127 120.400 -0.144 0.000 2.454 705 D HA 0.219 4.856 4.640 -0.004 0.000 0.247 705 D C 0.007 176.401 176.300 0.155 0.000 1.129 705 D CA -0.655 53.317 54.000 -0.046 0.000 0.877 705 D CB 1.120 42.007 40.800 0.146 0.000 1.082 705 D HN 0.612 nan 8.370 nan 0.000 0.537 706 W N 3.197 124.613 121.300 0.194 0.000 3.223 706 W HA 0.372 5.030 4.660 -0.005 0.000 0.389 706 W C 0.126 176.851 176.519 0.343 0.000 1.118 706 W CA -1.057 56.500 57.345 0.353 0.000 1.902 706 W CB -0.628 29.121 29.460 0.482 0.000 1.094 706 W HN 0.097 nan 8.180 nan 0.000 0.666 707 D N 1.138 121.787 120.400 0.415 0.000 2.399 707 D HA -0.093 4.545 4.640 -0.004 0.000 0.241 707 D C 1.242 177.816 176.300 0.457 0.000 1.133 707 D CA 0.152 54.357 54.000 0.342 0.000 0.890 707 D CB 2.487 43.355 40.800 0.113 0.000 1.201 707 D HN 0.013 nan 8.370 nan 0.000 0.432 708 V N 3.486 123.601 119.914 0.334 0.000 2.720 708 V HA -0.173 3.945 4.120 -0.004 0.000 0.256 708 V C 0.227 176.476 176.094 0.257 0.000 1.082 708 V CA 1.527 63.956 62.300 0.214 0.000 1.101 708 V CB -0.609 31.160 31.823 -0.091 0.000 0.693 708 V HN 0.494 nan 8.190 nan 0.000 0.479 709 H N -1.240 118.175 119.070 0.575 0.000 2.483 709 H HA 0.439 4.993 4.556 -0.004 0.000 0.338 709 H C -0.066 175.526 175.328 0.439 0.000 1.152 709 H CA -0.583 55.809 56.048 0.573 0.000 1.264 709 H CB 0.459 30.595 29.762 0.624 0.000 1.510 709 H HN 0.371 nan 8.280 nan 0.000 0.530 710 H N 0.758 119.944 119.070 0.194 0.000 2.929 710 H HA 0.170 4.724 4.556 -0.004 0.000 0.317 710 H C 0.658 175.896 175.328 -0.152 0.000 1.031 710 H CA -0.262 55.646 56.048 -0.232 0.000 1.466 710 H CB 0.515 29.895 29.762 -0.636 0.000 1.482 710 H HN 0.879 nan 8.280 nan 0.000 0.561 711 G N 4.236 112.700 108.800 -0.559 0.000 2.852 711 G HA2 -0.099 3.858 3.960 -0.004 0.000 0.280 711 G HA3 -0.099 3.858 3.960 -0.004 0.000 0.280 711 G C 0.853 175.281 174.900 -0.786 0.000 0.731 711 G CA -0.046 44.638 45.100 -0.693 0.000 2.037 711 G HN 0.995 nan 8.290 nan 0.000 0.560 712 N N 0.904 119.233 118.700 -0.620 0.000 2.137 712 N HA -0.150 4.588 4.740 -0.004 0.000 0.190 712 N C 2.132 177.479 175.510 -0.270 0.000 1.017 712 N CA 1.518 54.387 53.050 -0.302 0.000 0.859 712 N CB -0.128 38.300 38.487 -0.098 0.000 1.002 712 N HN 0.307 nan 8.380 nan 0.000 0.428 713 G N -0.375 108.266 108.800 -0.266 0.000 2.402 713 G HA2 -0.201 3.756 3.960 -0.004 0.000 0.216 713 G HA3 -0.201 3.756 3.960 -0.004 0.000 0.216 713 G C 1.541 176.274 174.900 -0.279 0.000 1.162 713 G CA 1.235 46.206 45.100 -0.215 0.000 0.777 713 G HN 0.377 nan 8.290 nan 0.000 0.539 714 T N 0.351 114.701 114.554 -0.340 0.000 2.777 714 T HA -0.129 4.218 4.350 -0.004 0.000 0.266 714 T C 2.250 176.653 174.700 -0.496 0.000 1.040 714 T CA 1.520 63.390 62.100 -0.383 0.000 1.141 714 T CB -0.231 68.343 68.868 -0.491 0.000 0.868 714 T HN 0.436 nan 8.240 nan 0.000 0.444 715 Q N 0.783 120.199 119.800 -0.639 0.000 2.030 715 Q HA -0.230 4.107 4.340 -0.004 0.000 0.204 715 Q C 2.545 178.504 176.000 -0.067 0.000 0.986 715 Q CA 1.608 57.257 55.803 -0.256 0.000 0.843 715 Q CB -0.195 28.566 28.738 0.038 0.000 0.904 715 Q HN 0.477 nan 8.270 nan 0.000 0.420 716 Q N -0.392 119.298 119.800 -0.182 0.000 2.061 716 Q HA -0.179 4.158 4.340 -0.004 0.000 0.204 716 Q C 1.923 177.801 176.000 -0.204 0.000 0.984 716 Q CA 2.329 58.009 55.803 -0.205 0.000 0.846 716 Q CB -0.358 28.250 28.738 -0.216 0.000 0.902 716 Q HN 0.468 nan 8.270 nan 0.000 0.421 717 T N 0.514 114.860 114.554 -0.347 0.000 2.665 717 T HA -0.151 4.197 4.350 -0.004 0.000 0.268 717 T C 1.040 175.362 174.700 -0.631 0.000 1.035 717 T CA 1.684 63.421 62.100 -0.605 0.000 1.151 717 T CB -0.277 68.008 68.868 -0.972 0.000 0.862 717 T HN 0.274 nan 8.240 nan 0.000 0.438 718 F N -0.838 119.080 119.950 -0.054 0.000 2.664 718 F HA 0.385 4.910 4.527 -0.004 0.000 0.303 718 F C 1.462 177.293 175.800 0.051 0.000 1.092 718 F CA -1.474 56.516 58.000 -0.018 0.000 1.305 718 F CB -0.493 38.482 39.000 -0.041 0.000 1.054 718 F HN 0.043 nan 8.300 nan 0.000 0.565 719 Y N 1.460 121.783 120.300 0.039 0.000 2.151 719 Y HA -0.262 4.286 4.550 -0.004 0.000 0.284 719 Y C 2.056 177.988 175.900 0.053 0.000 1.166 719 Y CA 1.963 60.090 58.100 0.046 0.000 1.163 719 Y CB -0.158 38.299 38.460 -0.005 0.000 0.974 719 Y HN 0.139 nan 8.280 nan 0.000 0.511 720 Q N -0.679 119.183 119.800 0.102 0.000 2.360 720 Q HA 0.008 4.345 4.340 -0.004 0.000 0.202 720 Q C -0.346 175.663 176.000 0.014 0.000 0.915 720 Q CA 0.202 56.023 55.803 0.031 0.000 0.943 720 Q CB 0.326 29.088 28.738 0.040 0.000 1.064 720 Q HN 0.266 nan 8.270 nan 0.000 0.511 721 D N 1.308 121.732 120.400 0.039 0.000 2.427 721 D HA 0.112 4.749 4.640 -0.004 0.000 0.226 721 D C -1.796 174.431 176.300 -0.121 0.000 1.076 721 D CA -2.288 51.717 54.000 0.009 0.000 0.849 721 D CB 1.592 42.463 40.800 0.118 0.000 1.052 721 D HN -0.097 nan 8.370 nan 0.000 0.515 722 P HA -0.060 nan 4.420 nan 0.000 0.233 722 P C 0.769 177.652 177.300 -0.694 0.000 1.167 722 P CA 0.412 63.009 63.100 -0.838 0.000 0.770 722 P CB 0.200 31.500 31.700 -0.667 0.000 0.837 723 S N -1.693 113.857 115.700 -0.251 0.000 2.593 723 S HA 0.139 4.606 4.470 -0.004 0.000 0.217 723 S C 0.640 175.297 174.600 0.095 0.000 0.966 723 S CA -0.251 57.918 58.200 -0.051 0.000 0.914 723 S CB -0.517 62.648 63.200 -0.058 0.000 0.776 723 S HN -0.106 nan 8.310 nan 0.000 0.523 724 V N 2.451 122.330 119.914 -0.057 0.000 2.487 724 V HA 0.561 4.679 4.120 -0.004 0.000 0.298 724 V C -0.828 175.125 176.094 -0.235 0.000 1.028 724 V CA -0.877 61.325 62.300 -0.164 0.000 0.860 724 V CB 1.548 33.120 31.823 -0.420 0.000 0.991 724 V HN 0.462 nan 8.190 nan 0.000 0.427 725 L N 6.125 127.080 121.223 -0.446 0.000 2.287 725 L HA 0.574 4.911 4.340 -0.004 0.000 0.287 725 L C -1.145 175.609 176.870 -0.193 0.000 1.022 725 L CA -0.282 54.292 54.840 -0.443 0.000 0.814 725 L CB 1.052 42.476 42.059 -1.059 0.000 1.217 725 L HN 0.639 nan 8.230 nan 0.000 0.420 726 Y N 6.246 126.445 120.300 -0.167 0.000 2.331 726 Y HA 0.675 5.222 4.550 -0.004 0.000 0.338 726 Y C -0.865 174.974 175.900 -0.103 0.000 0.976 726 Y CA -1.118 56.923 58.100 -0.098 0.000 1.137 726 Y CB 0.949 39.425 38.460 0.027 0.000 1.172 726 Y HN 0.556 nan 8.280 nan 0.000 0.478 727 I N 5.709 125.913 120.570 -0.611 0.000 2.439 727 I HA 0.248 4.416 4.170 -0.004 0.000 0.283 727 I C -0.481 175.232 176.117 -0.674 0.000 1.023 727 I CA -0.640 60.315 61.300 -0.575 0.000 1.100 727 I CB 1.596 39.329 38.000 -0.445 0.000 1.238 727 I HN 0.496 nan 8.210 nan 0.000 0.445 728 S N 6.924 122.268 115.700 -0.594 0.000 2.451 728 S HA 0.717 5.184 4.470 -0.004 0.000 0.301 728 S C -0.690 173.898 174.600 -0.021 0.000 1.116 728 S CA -0.524 57.545 58.200 -0.219 0.000 1.093 728 S CB 0.679 63.939 63.200 0.100 0.000 1.017 728 S HN 0.386 nan 8.310 nan 0.000 0.482 729 L N 6.342 127.618 121.223 0.087 0.000 2.272 729 L HA 0.618 4.956 4.340 -0.004 0.000 0.289 729 L C -0.192 176.868 176.870 0.316 0.000 1.032 729 L CA -0.341 54.498 54.840 -0.002 0.000 0.810 729 L CB 0.936 43.053 42.059 0.098 0.000 1.205 729 L HN 0.831 nan 8.230 nan 0.000 0.422 730 H N -0.041 119.137 119.070 0.179 0.000 3.046 730 H HA 0.541 5.094 4.556 -0.004 0.000 0.361 730 H C -0.777 174.838 175.328 0.479 0.000 1.235 730 H CA -1.241 55.040 56.048 0.388 0.000 1.146 730 H CB 0.945 30.942 29.762 0.393 0.000 1.859 730 H HN 0.483 nan 8.280 nan 0.000 0.548 731 R N 1.660 122.446 120.500 0.476 0.000 2.484 731 R HA 0.017 4.355 4.340 -0.004 0.000 0.293 731 R C -0.210 176.373 176.300 0.472 0.000 1.023 731 R CA 0.271 56.540 56.100 0.281 0.000 1.037 731 R CB 0.122 30.102 30.300 -0.534 0.000 0.951 731 R HN 0.972 nan 8.270 nan 0.000 0.418 732 H N 2.775 122.029 119.070 0.305 0.000 2.824 732 H HA 0.022 4.576 4.556 -0.004 0.000 0.238 732 H C -0.417 175.059 175.328 0.247 0.000 0.931 732 H CA 0.132 56.377 56.048 0.328 0.000 1.090 732 H CB 0.834 30.737 29.762 0.235 0.000 1.433 732 H HN 0.773 nan 8.280 nan 0.000 0.437 733 D N 2.875 123.410 120.400 0.224 0.000 2.745 733 D HA -0.192 4.446 4.640 -0.004 0.000 0.225 733 D C -0.368 175.950 176.300 0.030 0.000 1.212 733 D CA 1.440 55.518 54.000 0.129 0.000 0.632 733 D CB -1.245 39.619 40.800 0.106 0.000 0.994 733 D HN 0.624 nan 8.370 nan 0.000 0.407 734 D N -1.989 118.437 120.400 0.042 0.000 3.012 734 D HA -0.204 4.433 4.640 -0.004 0.000 0.222 734 D C 1.144 177.345 176.300 -0.165 0.000 1.167 734 D CA 1.606 55.616 54.000 0.017 0.000 0.854 734 D CB -1.405 39.438 40.800 0.072 0.000 1.107 734 D HN 0.811 nan 8.370 nan 0.000 0.421 735 G N -0.184 108.289 108.800 -0.545 0.000 2.148 735 G HA2 -0.272 3.685 3.960 -0.004 0.000 0.203 735 G HA3 -0.272 3.685 3.960 -0.004 0.000 0.203 735 G C 0.483 175.294 174.900 -0.148 0.000 0.993 735 G CA 0.190 45.075 45.100 -0.360 0.000 0.661 735 G HN 0.311 nan 8.290 nan 0.000 0.518 736 N N -0.544 118.110 118.700 -0.077 0.000 2.204 736 N HA 0.401 5.138 4.740 -0.004 0.000 0.219 736 N C -0.643 174.986 175.510 0.198 0.000 1.151 736 N CA -0.109 52.974 53.050 0.054 0.000 0.867 736 N CB 0.291 38.820 38.487 0.069 0.000 1.043 736 N HN 0.378 nan 8.380 nan 0.000 0.516 737 F N 0.095 120.051 119.950 0.010 0.000 2.563 737 F HA 0.433 4.958 4.527 -0.004 0.000 0.316 737 F C -0.507 175.391 175.800 0.164 0.000 1.076 737 F CA -1.840 56.230 58.000 0.117 0.000 0.921 737 F CB 0.929 40.012 39.000 0.139 0.000 1.209 737 F HN -0.133 nan 8.300 nan 0.000 0.462 738 F N 7.438 127.031 119.950 -0.594 0.000 2.607 738 F HA 0.256 4.781 4.527 -0.004 0.000 0.374 738 F C -1.508 174.231 175.800 -0.102 0.000 1.104 738 F CA -1.086 56.695 58.000 -0.364 0.000 1.296 738 F CB 0.873 39.576 39.000 -0.495 0.000 1.085 738 F HN 0.313 nan 8.300 nan 0.000 0.584 739 P HA 0.198 nan 4.420 nan 0.000 0.261 739 P C 0.594 177.586 177.300 -0.513 0.000 1.352 739 P CA 0.950 63.230 63.100 -1.368 0.000 0.891 739 P CB 0.473 31.329 31.700 -1.407 0.000 1.383 740 G N 0.283 108.947 108.800 -0.227 0.000 2.176 740 G HA2 -0.234 3.724 3.960 -0.004 0.000 0.253 740 G HA3 -0.234 3.724 3.960 -0.004 0.000 0.253 740 G C 0.312 175.182 174.900 -0.049 0.000 0.979 740 G CA 0.335 45.364 45.100 -0.117 0.000 0.641 740 G HN 0.592 nan 8.290 nan 0.000 0.530 741 S N -0.962 114.714 115.700 -0.041 0.000 2.745 741 S HA 0.761 5.228 4.470 -0.004 0.000 0.292 741 S C 1.146 175.564 174.600 -0.304 0.000 1.133 741 S CA 0.207 58.367 58.200 -0.067 0.000 0.998 741 S CB 1.901 65.106 63.200 0.008 0.000 1.087 741 S HN 2.182 nan 8.310 nan 0.000 0.551 742 G N -0.593 107.846 108.800 -0.602 0.000 2.255 742 G HA2 0.210 4.167 3.960 -0.004 0.000 0.239 742 G HA3 0.210 4.167 3.960 -0.004 0.000 0.239 742 G C 0.150 174.837 174.900 -0.354 0.000 1.083 742 G CA -0.324 44.231 45.100 -0.908 0.000 0.826 742 G HN 1.372 nan 8.290 nan 0.000 0.493 743 A N -0.514 122.138 122.820 -0.279 0.000 2.407 743 A HA 0.687 5.005 4.320 -0.004 0.000 0.248 743 A C 1.780 179.258 177.584 -0.176 0.000 1.082 743 A CA 0.467 52.302 52.037 -0.336 0.000 0.785 743 A CB 0.719 19.684 19.000 -0.059 0.000 1.020 743 A HN 1.175 nan 8.150 nan 0.000 0.489 744 V N 1.927 121.733 119.914 -0.180 0.000 2.370 744 V HA -0.298 3.819 4.120 -0.004 0.000 0.252 744 V C 1.757 177.847 176.094 -0.007 0.000 1.068 744 V CA 2.688 64.942 62.300 -0.076 0.000 1.061 744 V CB -1.122 30.657 31.823 -0.074 0.000 0.656 744 V HN 0.942 nan 8.190 nan 0.000 0.455 745 D N -0.369 120.025 120.400 -0.010 0.000 2.309 745 D HA -0.089 4.549 4.640 -0.004 0.000 0.212 745 D C 0.950 177.277 176.300 0.045 0.000 0.968 745 D CA 0.624 54.629 54.000 0.009 0.000 0.882 745 D CB -0.200 40.611 40.800 0.019 0.000 0.918 745 D HN 0.573 nan 8.370 nan 0.000 0.503 746 E N 0.563 120.813 120.200 0.084 0.000 1.941 746 E HA 0.126 4.473 4.350 -0.004 0.000 0.275 746 E C 0.690 177.413 176.600 0.205 0.000 1.113 746 E CA -0.246 56.275 56.400 0.202 0.000 0.878 746 E CB 1.061 30.888 29.700 0.212 0.000 1.070 746 E HN 0.117 nan 8.360 nan 0.000 0.399 747 V N 0.543 120.492 119.914 0.058 0.000 3.621 747 V HA 0.459 4.577 4.120 -0.004 0.000 0.285 747 V C 0.728 176.628 176.094 -0.322 0.000 1.346 747 V CA 0.366 62.611 62.300 -0.092 0.000 1.104 747 V CB -0.373 31.275 31.823 -0.291 0.000 0.913 747 V HN 0.657 nan 8.190 nan 0.000 0.432 748 G N -0.497 107.847 108.800 -0.761 0.000 2.592 748 G HA2 0.501 4.459 3.960 -0.004 0.000 0.684 748 G HA3 0.501 4.459 3.960 -0.004 0.000 0.684 748 G C -0.548 173.879 174.900 -0.789 0.000 1.291 748 G CA -0.187 44.146 45.100 -1.277 0.000 0.891 748 G HN 1.828 nan 8.290 nan 0.000 0.544 749 A N -1.087 121.433 122.820 -0.500 0.000 2.594 749 A HA 1.208 5.526 4.320 -0.004 0.000 0.291 749 A C 1.330 178.878 177.584 -0.060 0.000 1.105 749 A CA 1.340 53.294 52.037 -0.138 0.000 0.694 749 A CB 0.934 19.977 19.000 0.071 0.000 1.291 749 A HN 3.063 nan 8.150 nan 0.000 0.410 750 G N 0.512 109.305 108.800 -0.012 0.000 2.596 750 G HA2 -0.219 3.739 3.960 -0.004 0.000 0.295 750 G HA3 -0.219 3.739 3.960 -0.004 0.000 0.295 750 G C 1.275 176.177 174.900 0.005 0.000 1.240 750 G CA 0.955 46.057 45.100 0.003 0.000 0.985 750 G HN 1.700 nan 8.290 nan 0.000 0.555 751 S N 1.030 116.736 115.700 0.010 0.000 2.469 751 S HA 0.094 4.561 4.470 -0.004 0.000 0.238 751 S C 2.137 176.773 174.600 0.060 0.000 0.998 751 S CA 1.654 59.869 58.200 0.025 0.000 0.957 751 S CB -0.286 62.914 63.200 -0.000 0.000 0.764 751 S HN 1.508 nan 8.310 nan 0.000 0.514 752 G N 0.602 109.422 108.800 0.032 0.000 3.141 752 G HA2 0.117 4.075 3.960 -0.004 0.000 0.218 752 G HA3 0.117 4.075 3.960 -0.004 0.000 0.218 752 G C 0.028 174.966 174.900 0.064 0.000 1.170 752 G CA -0.366 44.789 45.100 0.090 0.000 0.769 752 G HN 0.389 nan 8.290 nan 0.000 0.546 753 E N 0.104 120.260 120.200 -0.073 0.000 2.417 753 E HA 0.343 4.691 4.350 -0.004 0.000 0.261 753 E C 1.353 177.495 176.600 -0.763 0.000 1.000 753 E CA 0.750 56.937 56.400 -0.355 0.000 0.919 753 E CB 0.477 30.048 29.700 -0.215 0.000 0.955 753 E HN 0.264 nan 8.360 nan 0.000 0.455 754 G N 3.339 111.483 108.800 -1.093 0.000 2.217 754 G HA2 -0.312 3.646 3.960 -0.004 0.000 0.246 754 G HA3 -0.312 3.646 3.960 -0.004 0.000 0.246 754 G C 0.467 175.143 174.900 -0.372 0.000 0.990 754 G CA 0.012 44.443 45.100 -1.115 0.000 0.627 754 G HN 0.581 nan 8.290 nan 0.000 0.522 755 F N 1.542 121.427 119.950 -0.108 0.000 2.660 755 F HA 0.370 4.894 4.527 -0.004 0.000 0.302 755 F C 1.139 176.929 175.800 -0.015 0.000 1.103 755 F CA 0.105 58.107 58.000 0.005 0.000 1.340 755 F CB 0.564 39.526 39.000 -0.063 0.000 1.048 755 F HN 0.162 nan 8.300 nan 0.000 0.551 756 N N 1.037 119.811 118.700 0.123 0.000 2.448 756 N HA 0.327 5.064 4.740 -0.004 0.000 0.279 756 N C -1.741 173.853 175.510 0.141 0.000 1.025 756 N CA -0.006 53.145 53.050 0.169 0.000 0.898 756 N CB 1.880 40.478 38.487 0.185 0.000 1.303 756 N HN -0.197 nan 8.380 nan 0.000 0.495 757 V N 3.733 123.627 119.914 -0.033 0.000 2.350 757 V HA 0.359 4.476 4.120 -0.004 0.000 0.285 757 V C -0.359 175.648 176.094 -0.144 0.000 1.014 757 V CA -0.970 61.195 62.300 -0.224 0.000 0.831 757 V CB 1.153 32.627 31.823 -0.581 0.000 1.000 757 V HN 0.580 nan 8.190 nan 0.000 0.433 758 N N 3.530 122.216 118.700 -0.024 0.000 2.485 758 N HA 0.301 5.038 4.740 -0.004 0.000 0.243 758 N C -0.387 174.973 175.510 -0.250 0.000 0.987 758 N CA -0.232 52.810 53.050 -0.014 0.000 0.940 758 N CB 2.087 40.636 38.487 0.103 0.000 1.122 758 N HN 0.419 nan 8.380 nan 0.000 0.509 759 V N 2.000 121.662 119.914 -0.421 0.000 2.276 759 V HA 0.249 4.366 4.120 -0.004 0.000 0.249 759 V C 0.598 176.109 176.094 -0.972 0.000 1.160 759 V CA -0.660 61.223 62.300 -0.694 0.000 1.042 759 V CB -0.296 31.040 31.823 -0.812 0.000 1.224 759 V HN 0.599 nan 8.190 nan 0.000 0.496 760 A N 5.564 127.934 122.820 -0.750 0.000 2.366 760 A HA 0.518 4.835 4.320 -0.004 0.000 0.322 760 A C -0.456 176.940 177.584 -0.314 0.000 1.397 760 A CA -0.587 51.030 52.037 -0.700 0.000 0.984 760 A CB 0.030 18.679 19.000 -0.586 0.000 1.149 760 A HN 0.807 nan 8.150 nan 0.000 0.540 761 W N 2.592 123.834 121.300 -0.097 0.000 2.368 761 W HA 0.443 5.101 4.660 -0.004 0.000 0.316 761 W C 0.635 177.217 176.519 0.104 0.000 1.375 761 W CA 0.091 57.449 57.345 0.021 0.000 1.261 761 W CB 0.820 30.347 29.460 0.113 0.000 1.298 761 W HN 0.812 nan 8.180 nan 0.000 0.539 762 A N 2.308 125.325 122.820 0.328 0.000 2.288 762 A HA 0.876 5.194 4.320 -0.004 0.000 0.328 762 A C 0.954 178.645 177.584 0.177 0.000 1.123 762 A CA 0.004 52.182 52.037 0.236 0.000 0.861 762 A CB 1.174 20.286 19.000 0.186 0.000 1.272 762 A HN 1.334 nan 8.150 nan 0.000 0.490 763 G N -1.313 107.565 108.800 0.129 0.000 2.232 763 G HA2 0.344 4.301 3.960 -0.004 0.000 0.226 763 G HA3 0.344 4.301 3.960 -0.004 0.000 0.226 763 G C 1.685 176.628 174.900 0.072 0.000 0.996 763 G CA 0.733 45.885 45.100 0.086 0.000 0.626 763 G HN 3.043 nan 8.290 nan 0.000 0.509 764 G N -0.783 108.072 108.800 0.092 0.000 2.545 764 G HA2 -0.006 3.951 3.960 -0.004 0.000 0.216 764 G HA3 -0.006 3.951 3.960 -0.004 0.000 0.216 764 G C 0.588 175.537 174.900 0.081 0.000 1.314 764 G CA 0.117 45.267 45.100 0.083 0.000 0.906 764 G HN 1.169 nan 8.290 nan 0.000 0.563 765 L N 0.301 121.573 121.223 0.081 0.000 2.607 765 L HA 0.397 4.735 4.340 -0.004 0.000 0.228 765 L C 0.570 177.483 176.870 0.071 0.000 1.123 765 L CA 0.624 55.525 54.840 0.101 0.000 0.890 765 L CB 0.210 42.347 42.059 0.131 0.000 1.103 765 L HN 0.528 nan 8.230 nan 0.000 0.468 766 D N 0.921 121.342 120.400 0.036 0.000 2.696 766 D HA 0.318 4.955 4.640 -0.004 0.000 0.251 766 D C -2.384 173.911 176.300 -0.007 0.000 1.188 766 D CA -1.721 52.288 54.000 0.015 0.000 0.876 766 D CB 2.107 42.922 40.800 0.025 0.000 1.334 766 D HN -0.189 nan 8.370 nan 0.000 0.540 767 P HA 0.284 nan 4.420 nan 0.000 0.272 767 P C -2.593 174.665 177.300 -0.070 0.000 1.230 767 P CA -1.242 61.827 63.100 -0.051 0.000 0.788 767 P CB -0.380 31.284 31.700 -0.061 0.000 0.949 768 P HA 0.093 nan 4.420 nan 0.000 0.264 768 P C -0.114 177.124 177.300 -0.104 0.000 1.193 768 P CA 0.667 63.745 63.100 -0.036 0.000 0.763 768 P CB 0.093 31.671 31.700 -0.204 0.000 0.810 769 M N 3.049 122.540 119.600 -0.181 0.000 2.113 769 M HA 0.526 5.004 4.480 -0.004 0.000 0.352 769 M C 0.815 176.881 176.300 -0.389 0.000 1.170 769 M CA 0.367 55.315 55.300 -0.586 0.000 1.053 769 M CB 0.772 32.470 32.600 -1.503 0.000 1.601 769 M HN 0.584 nan 8.290 nan 0.000 0.459 770 G N 2.601 111.236 108.800 -0.275 0.000 2.694 770 G HA2 0.279 4.236 3.960 -0.004 0.000 0.246 770 G HA3 0.279 4.236 3.960 -0.004 0.000 0.246 770 G C -0.176 174.632 174.900 -0.153 0.000 1.205 770 G CA -0.380 44.619 45.100 -0.169 0.000 0.891 770 G HN 0.427 nan 8.290 nan 0.000 0.515 771 D N 0.663 120.973 120.400 -0.150 0.000 2.092 771 D HA -0.039 4.598 4.640 -0.004 0.000 0.193 771 D C -0.412 175.711 176.300 -0.295 0.000 0.994 771 D CA 1.660 55.506 54.000 -0.255 0.000 0.828 771 D CB -1.183 39.495 40.800 -0.203 0.000 0.963 771 D HN 0.134 nan 8.370 nan 0.000 0.450 772 P HA -0.105 nan 4.420 nan 0.000 0.216 772 P C 1.140 178.361 177.300 -0.130 0.000 1.150 772 P CA 1.368 64.370 63.100 -0.164 0.000 0.843 772 P CB 0.080 31.729 31.700 -0.085 0.000 0.787 773 E N -1.958 118.156 120.200 -0.143 0.000 2.072 773 E HA -0.149 4.199 4.350 -0.004 0.000 0.190 773 E C 1.837 178.408 176.600 -0.047 0.000 0.982 773 E CA 1.199 57.479 56.400 -0.201 0.000 0.803 773 E CB -0.964 28.418 29.700 -0.529 0.000 0.755 773 E HN 0.345 nan 8.360 nan 0.000 0.453 774 Y N 0.230 120.451 120.300 -0.132 0.000 2.263 774 Y HA -0.022 4.526 4.550 -0.004 0.000 0.292 774 Y C 1.944 177.821 175.900 -0.038 0.000 1.130 774 Y CA 0.778 58.882 58.100 0.008 0.000 1.179 774 Y CB -0.168 38.190 38.460 -0.170 0.000 0.998 774 Y HN -0.002 nan 8.280 nan 0.000 0.532 775 L N -1.198 119.978 121.223 -0.079 0.000 2.093 775 L HA -0.203 4.135 4.340 -0.004 0.000 0.208 775 L C 2.605 179.472 176.870 -0.005 0.000 1.085 775 L CA 1.107 55.861 54.840 -0.142 0.000 0.755 775 L CB -0.787 41.076 42.059 -0.326 0.000 0.904 775 L HN 0.194 nan 8.230 nan 0.000 0.435 776 A N 0.044 122.869 122.820 0.009 0.000 1.930 776 A HA -0.098 4.220 4.320 -0.004 0.000 0.217 776 A C 2.542 180.167 177.584 0.068 0.000 1.175 776 A CA 1.469 53.529 52.037 0.037 0.000 0.627 776 A CB -0.600 18.421 19.000 0.034 0.000 0.815 776 A HN 0.375 nan 8.150 nan 0.000 0.443 777 A N -1.267 121.627 122.820 0.124 0.000 1.940 777 A HA -0.041 4.276 4.320 -0.004 0.000 0.219 777 A C 1.934 179.526 177.584 0.013 0.000 1.176 777 A CA 1.561 53.626 52.037 0.047 0.000 0.631 777 A CB -0.685 18.328 19.000 0.021 0.000 0.814 777 A HN 0.451 nan 8.150 nan 0.000 0.446 778 F N -0.323 119.577 119.950 -0.083 0.000 2.163 778 F HA -0.023 4.502 4.527 -0.004 0.000 0.297 778 F C 2.565 178.306 175.800 -0.098 0.000 1.094 778 F CA 1.440 59.384 58.000 -0.094 0.000 1.290 778 F CB -0.221 38.718 39.000 -0.101 0.000 1.017 778 F HN 0.104 nan 8.300 nan 0.000 0.483 779 R N -0.236 120.312 120.500 0.079 0.000 2.075 779 R HA -0.076 4.261 4.340 -0.004 0.000 0.232 779 R C 2.098 178.380 176.300 -0.029 0.000 1.126 779 R CA 1.602 57.714 56.100 0.021 0.000 0.963 779 R CB -0.317 29.997 30.300 0.023 0.000 0.858 779 R HN 0.298 nan 8.270 nan 0.000 0.435 780 I N -0.834 119.709 120.570 -0.045 0.000 2.731 780 I HA -0.102 4.065 4.170 -0.004 0.000 0.260 780 I C 1.695 177.734 176.117 -0.130 0.000 1.138 780 I CA 0.545 61.804 61.300 -0.068 0.000 1.461 780 I CB 0.342 38.313 38.000 -0.047 0.000 1.128 780 I HN -0.068 nan 8.210 nan 0.000 0.438 781 V N -0.598 119.204 119.914 -0.188 0.000 2.870 781 V HA 0.013 4.130 4.120 -0.004 0.000 0.232 781 V C 2.100 177.965 176.094 -0.383 0.000 1.161 781 V CA 0.490 62.619 62.300 -0.286 0.000 1.204 781 V CB 0.324 31.961 31.823 -0.310 0.000 1.003 781 V HN 0.039 nan 8.190 nan 0.000 0.499 782 V N 0.147 119.792 119.914 -0.448 0.000 2.295 782 V HA -0.244 3.874 4.120 -0.004 0.000 0.246 782 V C 2.537 178.342 176.094 -0.483 0.000 1.049 782 V CA 1.897 63.840 62.300 -0.594 0.000 1.024 782 V CB -0.601 30.591 31.823 -1.053 0.000 0.648 782 V HN 0.380 nan 8.190 nan 0.000 0.447 783 M N -0.860 118.519 119.600 -0.368 0.000 2.156 783 M HA 0.012 4.489 4.480 -0.004 0.000 0.264 783 M C 0.092 176.288 176.300 -0.173 0.000 1.067 783 M CA 1.543 56.716 55.300 -0.212 0.000 1.131 783 M CB -2.409 30.141 32.600 -0.082 0.000 1.368 783 M HN 0.253 nan 8.290 nan 0.000 0.416 784 P HA -0.073 nan 4.420 nan 0.000 0.216 784 P C 1.821 178.991 177.300 -0.217 0.000 1.153 784 P CA 1.225 64.237 63.100 -0.148 0.000 0.848 784 P CB -0.058 31.561 31.700 -0.134 0.000 0.787 785 I N -0.611 119.721 120.570 -0.397 0.000 2.179 785 I HA -0.258 3.910 4.170 -0.004 0.000 0.242 785 I C 2.343 178.171 176.117 -0.481 0.000 1.088 785 I CA 1.515 62.390 61.300 -0.708 0.000 1.357 785 I CB -0.882 36.454 38.000 -1.107 0.000 1.051 785 I HN -0.093 nan 8.210 nan 0.000 0.409 786 A N 0.840 123.469 122.820 -0.319 0.000 1.908 786 A HA -0.224 4.094 4.320 -0.004 0.000 0.218 786 A C 2.408 180.003 177.584 0.018 0.000 1.181 786 A CA 1.587 53.553 52.037 -0.118 0.000 0.627 786 A CB -0.586 18.333 19.000 -0.135 0.000 0.818 786 A HN 0.330 nan 8.150 nan 0.000 0.445 787 R N -0.945 119.539 120.500 -0.025 0.000 2.092 787 R HA -0.113 4.224 4.340 -0.004 0.000 0.231 787 R C 2.251 178.597 176.300 0.077 0.000 1.119 787 R CA 1.390 57.504 56.100 0.024 0.000 0.970 787 R CB -0.292 30.009 30.300 0.002 0.000 0.864 787 R HN 0.789 nan 8.270 nan 0.000 0.440 788 E N 0.128 120.388 120.200 0.101 0.000 2.072 788 E HA -0.188 4.159 4.350 -0.004 0.000 0.191 788 E C 1.652 178.474 176.600 0.369 0.000 0.985 788 E CA 0.834 57.372 56.400 0.230 0.000 0.801 788 E CB -0.062 29.826 29.700 0.314 0.000 0.750 788 E HN 0.143 nan 8.360 nan 0.000 0.452 789 F N 1.383 121.479 119.950 0.244 0.000 2.134 789 F HA -0.091 4.434 4.527 -0.004 0.000 0.299 789 F C 1.076 176.964 175.800 0.146 0.000 1.097 789 F CA 1.665 59.837 58.000 0.288 0.000 1.264 789 F CB -0.120 39.020 39.000 0.234 0.000 1.001 789 F HN -0.094 nan 8.300 nan 0.000 0.479 790 S N 0.771 116.531 115.700 0.100 0.000 3.625 790 S HA -0.116 4.351 4.470 -0.004 0.000 0.426 790 S C -2.375 172.133 174.600 -0.152 0.000 0.884 790 S CA 0.024 58.208 58.200 -0.027 0.000 1.322 790 S CB -1.369 61.805 63.200 -0.045 0.000 0.905 790 S HN 0.294 nan 8.310 nan 0.000 0.586 791 P HA 0.268 nan 4.420 nan 0.000 0.272 791 P C 0.404 177.678 177.300 -0.042 0.000 1.223 791 P CA -0.175 62.916 63.100 -0.016 0.000 0.784 791 P CB 0.485 32.290 31.700 0.176 0.000 0.923 792 D N 0.491 120.856 120.400 -0.058 0.000 2.333 792 D HA 0.103 4.741 4.640 -0.004 0.000 0.208 792 D C 0.565 176.852 176.300 -0.021 0.000 0.984 792 D CA 0.903 54.877 54.000 -0.044 0.000 0.873 792 D CB 0.416 41.178 40.800 -0.063 0.000 0.935 792 D HN 0.221 nan 8.370 nan 0.000 0.521 793 L N 0.187 121.405 121.223 -0.009 0.000 2.545 793 L HA 0.294 4.631 4.340 -0.004 0.000 0.258 793 L C -1.843 175.029 176.870 0.004 0.000 0.942 793 L CA -0.630 54.204 54.840 -0.010 0.000 0.855 793 L CB 2.542 44.574 42.059 -0.044 0.000 1.374 793 L HN -0.375 nan 8.230 nan 0.000 0.411 794 V N 5.179 125.095 119.914 0.004 0.000 2.448 794 V HA 0.512 4.629 4.120 -0.004 0.000 0.295 794 V C -0.286 175.790 176.094 -0.031 0.000 1.025 794 V CA -0.426 61.872 62.300 -0.003 0.000 0.859 794 V CB 1.557 33.392 31.823 0.020 0.000 0.988 794 V HN 0.555 nan 8.190 nan 0.000 0.431 795 L N 5.068 126.255 121.223 -0.059 0.000 2.317 795 L HA 0.699 5.037 4.340 -0.004 0.000 0.281 795 L C -0.681 176.109 176.870 -0.135 0.000 1.024 795 L CA -0.795 53.994 54.840 -0.084 0.000 0.810 795 L CB 2.126 44.140 42.059 -0.075 0.000 1.240 795 L HN 0.358 nan 8.230 nan 0.000 0.427 796 V N 1.434 121.222 119.914 -0.209 0.000 2.409 796 V HA 0.250 4.367 4.120 -0.004 0.000 0.291 796 V C 0.127 175.968 176.094 -0.422 0.000 1.020 796 V CA -0.495 61.575 62.300 -0.384 0.000 0.848 796 V CB 1.698 33.173 31.823 -0.579 0.000 0.990 796 V HN 0.740 nan 8.190 nan 0.000 0.430 797 S N 4.121 119.580 115.700 -0.400 0.000 2.701 797 S HA 0.402 4.869 4.470 -0.004 0.000 0.317 797 S C 0.616 174.839 174.600 -0.629 0.000 1.149 797 S CA -0.214 57.751 58.200 -0.392 0.000 1.052 797 S CB 0.265 63.324 63.200 -0.236 0.000 1.257 797 S HN 0.935 nan 8.310 nan 0.000 0.532 798 A N 3.807 126.220 122.820 -0.678 0.000 3.016 798 A HA 0.588 4.905 4.320 -0.004 0.000 0.303 798 A C 0.827 177.921 177.584 -0.816 0.000 1.507 798 A CA -0.613 50.924 52.037 -0.834 0.000 1.196 798 A CB -0.305 18.329 19.000 -0.611 0.000 1.169 798 A HN 0.700 nan 8.150 nan 0.000 0.544 799 G N -0.621 107.845 108.800 -0.558 0.000 2.476 799 G HA2 0.490 4.448 3.960 -0.004 0.000 0.269 799 G HA3 0.490 4.448 3.960 -0.004 0.000 0.269 799 G C -0.216 174.397 174.900 -0.479 0.000 1.195 799 G CA -0.387 44.468 45.100 -0.409 0.000 0.843 799 G HN 0.509 nan 8.290 nan 0.000 0.545 800 F N -0.066 119.893 119.950 0.015 0.000 2.735 800 F HA 0.148 4.673 4.527 -0.004 0.000 0.304 800 F C 1.260 176.976 175.800 -0.140 0.000 1.119 800 F CA -0.607 57.286 58.000 -0.178 0.000 1.280 800 F CB 0.936 39.785 39.000 -0.252 0.000 0.994 800 F HN 0.467 nan 8.300 nan 0.000 0.520 801 D N 0.317 120.669 120.400 -0.080 0.000 2.378 801 D HA -0.089 4.549 4.640 -0.004 0.000 0.227 801 D C 1.755 177.912 176.300 -0.239 0.000 1.012 801 D CA 0.604 54.298 54.000 -0.509 0.000 0.905 801 D CB -0.242 40.445 40.800 -0.188 0.000 0.895 801 D HN 0.242 nan 8.370 nan 0.000 0.532 802 A N -0.031 122.844 122.820 0.092 0.000 2.218 802 A HA 0.489 4.807 4.320 -0.004 0.000 0.209 802 A C 1.385 179.109 177.584 0.232 0.000 1.168 802 A CA 0.253 52.388 52.037 0.163 0.000 0.804 802 A CB -0.354 18.782 19.000 0.226 0.000 0.834 802 A HN 0.346 nan 8.150 nan 0.000 0.482 803 A N 0.243 123.270 122.820 0.345 0.000 2.386 803 A HA 0.431 4.749 4.320 -0.004 0.000 0.248 803 A C 0.316 178.090 177.584 0.317 0.000 1.082 803 A CA -0.268 52.014 52.037 0.409 0.000 0.789 803 A CB 0.015 19.264 19.000 0.414 0.000 1.025 803 A HN 0.338 nan 8.150 nan 0.000 0.490 804 E N 0.103 120.428 120.200 0.209 0.000 2.465 804 E HA 0.360 4.708 4.350 -0.004 0.000 0.260 804 E C 1.057 177.717 176.600 0.100 0.000 0.980 804 E CA 1.623 58.113 56.400 0.149 0.000 0.927 804 E CB 0.027 29.816 29.700 0.147 0.000 0.934 804 E HN 1.573 nan 8.360 nan 0.000 0.459 805 G N 3.848 112.673 108.800 0.042 0.000 2.175 805 G HA2 -0.205 3.753 3.960 -0.004 0.000 0.182 805 G HA3 -0.205 3.753 3.960 -0.004 0.000 0.182 805 G C -0.490 174.235 174.900 -0.292 0.000 1.003 805 G CA -0.017 45.022 45.100 -0.101 0.000 0.666 805 G HN 0.642 nan 8.290 nan 0.000 0.506 806 H N 1.996 121.062 119.070 -0.007 0.000 2.623 806 H HA 0.472 5.026 4.556 -0.004 0.000 0.299 806 H C -2.053 173.302 175.328 0.044 0.000 1.052 806 H CA -1.281 54.762 56.048 -0.008 0.000 1.231 806 H CB 1.701 31.472 29.762 0.016 0.000 1.389 806 H HN 0.180 nan 8.280 nan 0.000 0.469 807 P HA 0.074 nan 4.420 nan 0.000 0.272 807 P C -0.100 177.308 177.300 0.179 0.000 1.230 807 P CA -0.479 62.704 63.100 0.137 0.000 0.788 807 P CB 0.799 32.578 31.700 0.131 0.000 0.949 808 A N 3.423 126.334 122.820 0.152 0.000 2.555 808 A HA 0.162 4.479 4.320 -0.004 0.000 0.233 808 A C -1.190 176.514 177.584 0.200 0.000 1.060 808 A CA -0.504 51.638 52.037 0.176 0.000 0.759 808 A CB -1.211 17.873 19.000 0.140 0.000 0.995 808 A HN 0.515 nan 8.150 nan 0.000 0.506 809 P HA 0.156 nan 4.420 nan 0.000 0.243 809 P C 0.111 177.675 177.300 0.440 0.000 1.672 809 P CA -0.079 63.236 63.100 0.358 0.000 1.000 809 P CB 0.303 32.168 31.700 0.275 0.000 1.562 810 L N -0.898 120.566 121.223 0.401 0.000 2.567 810 L HA 0.344 4.682 4.340 -0.004 0.000 0.225 810 L C 1.520 178.658 176.870 0.446 0.000 1.119 810 L CA 0.920 56.043 54.840 0.470 0.000 0.871 810 L CB -0.545 41.836 42.059 0.536 0.000 1.036 810 L HN 0.225 nan 8.230 nan 0.000 0.459 811 G N -1.740 107.260 108.800 0.334 0.000 2.684 811 G HA2 0.234 4.191 3.960 -0.004 0.000 0.107 811 G HA3 0.234 4.191 3.960 -0.004 0.000 0.107 811 G C 0.676 175.522 174.900 -0.091 0.000 1.201 811 G CA 0.325 45.449 45.100 0.041 0.000 1.113 811 G HN 0.271 nan 8.290 nan 0.000 0.356 812 G N -0.133 108.684 108.800 0.028 0.000 2.149 812 G HA2 -0.232 3.725 3.960 -0.004 0.000 0.235 812 G HA3 -0.232 3.725 3.960 -0.004 0.000 0.235 812 G C 0.122 175.015 174.900 -0.011 0.000 1.018 812 G CA 0.690 45.796 45.100 0.009 0.000 0.728 812 G HN 0.924 nan 8.290 nan 0.000 0.508 813 Y N -1.221 118.887 120.300 -0.321 0.000 2.534 813 Y HA 0.603 5.150 4.550 -0.005 0.000 0.329 813 Y C 1.318 176.881 175.900 -0.561 0.000 1.154 813 Y CA -1.275 56.592 58.100 -0.388 0.000 1.192 813 Y CB 1.498 39.857 38.460 -0.169 0.000 1.275 813 Y HN 0.211 nan 8.280 nan 0.000 0.491 814 H N 0.444 119.551 119.070 0.062 0.000 2.510 814 H HA 0.181 4.734 4.556 -0.004 0.000 0.266 814 H C -0.601 174.702 175.328 -0.042 0.000 1.146 814 H CA -0.059 55.998 56.048 0.016 0.000 0.993 814 H CB 0.136 29.886 29.762 -0.020 0.000 1.727 814 H HN 0.206 nan 8.280 nan 0.000 0.590 815 V N 2.969 122.845 119.914 -0.062 0.000 2.585 815 V HA -0.016 4.101 4.120 -0.004 0.000 0.296 815 V C 1.145 177.209 176.094 -0.051 0.000 1.035 815 V CA 0.002 62.157 62.300 -0.241 0.000 1.084 815 V CB 0.865 32.272 31.823 -0.693 0.000 0.953 815 V HN 0.471 nan 8.190 nan 0.000 0.483 816 S N 4.369 120.043 115.700 -0.045 0.000 2.632 816 S HA 0.605 5.072 4.470 -0.004 0.000 0.271 816 S C 1.266 175.959 174.600 0.155 0.000 1.260 816 S CA -0.109 58.145 58.200 0.090 0.000 1.010 816 S CB 1.710 64.986 63.200 0.127 0.000 0.965 816 S HN 1.033 nan 8.310 nan 0.000 0.534 817 A N 2.168 125.101 122.820 0.188 0.000 1.859 817 A HA -0.169 4.148 4.320 -0.004 0.000 0.217 817 A C 2.156 179.846 177.584 0.177 0.000 1.198 817 A CA 2.143 54.293 52.037 0.187 0.000 0.629 817 A CB -1.306 17.730 19.000 0.060 0.000 0.830 817 A HN 0.980 nan 8.150 nan 0.000 0.446 818 K N -0.899 119.581 120.400 0.133 0.000 2.089 818 K HA -0.247 4.071 4.320 -0.004 0.000 0.210 818 K C 2.188 178.968 176.600 0.300 0.000 1.048 818 K CA 1.733 58.115 56.287 0.158 0.000 0.926 818 K CB -0.560 31.977 32.500 0.062 0.000 0.714 818 K HN 0.599 nan 8.250 nan 0.000 0.448 819 C N 0.258 119.733 119.300 0.290 0.000 2.413 819 C HA -0.157 4.301 4.460 -0.004 0.000 0.278 819 C C 2.306 177.161 174.990 -0.226 0.000 1.224 819 C CA 0.940 59.960 59.018 0.003 0.000 1.732 819 C CB -1.291 26.288 27.740 -0.268 0.000 2.050 819 C HN 0.548 nan 8.230 nan 0.000 0.463 820 F N 1.594 121.435 119.950 -0.183 0.000 2.087 820 F HA -0.076 4.448 4.527 -0.004 0.000 0.299 820 F C 2.619 178.361 175.800 -0.097 0.000 1.100 820 F CA 2.090 59.918 58.000 -0.287 0.000 1.226 820 F CB -1.413 37.516 39.000 -0.118 0.000 0.983 820 F HN 0.369 nan 8.300 nan 0.000 0.479 821 G N -2.070 106.859 108.800 0.215 0.000 2.450 821 G HA2 -0.326 3.631 3.960 -0.004 0.000 0.220 821 G HA3 -0.326 3.631 3.960 -0.004 0.000 0.220 821 G C 1.535 176.576 174.900 0.234 0.000 1.130 821 G CA 0.968 46.197 45.100 0.215 0.000 0.760 821 G HN 0.392 nan 8.290 nan 0.000 0.557 822 Y N 0.594 120.907 120.300 0.021 0.000 2.269 822 Y HA 0.231 4.779 4.550 -0.004 0.000 0.294 822 Y C 2.838 178.658 175.900 -0.133 0.000 1.120 822 Y CA 0.671 58.766 58.100 -0.008 0.000 1.159 822 Y CB -0.216 38.264 38.460 0.032 0.000 1.024 822 Y HN 0.127 nan 8.280 nan 0.000 0.532 823 M N -0.868 118.504 119.600 -0.380 0.000 2.108 823 M HA -0.254 4.223 4.480 -0.004 0.000 0.261 823 M C 1.929 178.223 176.300 -0.011 0.000 1.066 823 M CA 2.305 57.212 55.300 -0.655 0.000 1.107 823 M CB -0.667 31.272 32.600 -1.102 0.000 1.356 823 M HN 0.130 nan 8.290 nan 0.000 0.406 824 T N -0.058 114.613 114.554 0.196 0.000 2.635 824 T HA -0.279 4.069 4.350 -0.004 0.000 0.267 824 T C 1.712 176.552 174.700 0.233 0.000 1.040 824 T CA 1.794 64.121 62.100 0.377 0.000 1.156 824 T CB -0.406 68.712 68.868 0.417 0.000 0.863 824 T HN 0.500 nan 8.240 nan 0.000 0.430 825 Q N 0.337 120.233 119.800 0.161 0.000 2.170 825 Q HA -0.143 4.194 4.340 -0.004 0.000 0.203 825 Q C 2.336 178.383 176.000 0.078 0.000 0.976 825 Q CA 1.228 57.114 55.803 0.139 0.000 0.858 825 Q CB -0.064 28.795 28.738 0.202 0.000 0.907 825 Q HN 0.602 nan 8.270 nan 0.000 0.433 826 Q N -0.213 119.584 119.800 -0.006 0.000 2.137 826 Q HA -0.045 4.293 4.340 -0.004 0.000 0.198 826 Q C 2.115 178.189 176.000 0.123 0.000 0.960 826 Q CA 0.770 56.569 55.803 -0.007 0.000 0.847 826 Q CB 0.164 28.841 28.738 -0.101 0.000 0.915 826 Q HN 0.429 nan 8.270 nan 0.000 0.448 827 L N -0.093 121.255 121.223 0.208 0.000 2.291 827 L HA -0.098 4.240 4.340 -0.004 0.000 0.214 827 L C 2.127 179.080 176.870 0.138 0.000 1.120 827 L CA 0.643 55.606 54.840 0.206 0.000 0.799 827 L CB -0.153 42.076 42.059 0.285 0.000 0.925 827 L HN 0.315 nan 8.230 nan 0.000 0.446 828 M N -0.667 119.012 119.600 0.132 0.000 2.557 828 M HA -0.085 4.393 4.480 -0.004 0.000 0.259 828 M C 1.389 177.743 176.300 0.089 0.000 1.086 828 M CA 0.762 56.127 55.300 0.108 0.000 1.096 828 M CB -0.266 32.401 32.600 0.111 0.000 1.424 828 M HN 0.219 nan 8.290 nan 0.000 0.488 829 N N 0.814 119.564 118.700 0.083 0.000 2.453 829 N HA 0.067 4.804 4.740 -0.004 0.000 0.183 829 N C 0.383 175.930 175.510 0.061 0.000 1.041 829 N CA 0.747 53.839 53.050 0.069 0.000 0.900 829 N CB -0.034 38.489 38.487 0.061 0.000 0.961 829 N HN 0.347 nan 8.380 nan 0.000 0.443 830 L N -0.374 120.887 121.223 0.064 0.000 2.375 830 L HA 0.446 4.783 4.340 -0.004 0.000 0.268 830 L C 1.022 177.923 176.870 0.051 0.000 1.058 830 L CA -0.739 54.133 54.840 0.053 0.000 0.803 830 L CB 0.973 43.065 42.059 0.054 0.000 1.212 830 L HN -0.029 nan 8.230 nan 0.000 0.451 831 A N 1.723 124.567 122.820 0.039 0.000 2.832 831 A HA -0.113 4.204 4.320 -0.004 0.000 0.280 831 A C 1.272 178.882 177.584 0.042 0.000 1.464 831 A CA 0.893 52.948 52.037 0.031 0.000 0.804 831 A CB -2.235 16.784 19.000 0.031 0.000 1.020 831 A HN 1.751 nan 8.150 nan 0.000 0.563 832 G N -2.252 106.577 108.800 0.049 0.000 2.187 832 G HA2 0.216 4.174 3.960 -0.004 0.000 0.261 832 G HA3 0.216 4.174 3.960 -0.004 0.000 0.261 832 G C 1.238 176.193 174.900 0.091 0.000 1.000 832 G CA 1.050 46.189 45.100 0.066 0.000 0.718 832 G HN 2.957 nan 8.290 nan 0.000 0.519 833 G N -1.868 106.979 108.800 0.080 0.000 2.141 833 G HA2 0.178 4.136 3.960 -0.004 0.000 0.242 833 G HA3 0.178 4.136 3.960 -0.004 0.000 0.242 833 G C 0.662 175.605 174.900 0.072 0.000 0.982 833 G CA 1.104 46.253 45.100 0.082 0.000 0.662 833 G HN 2.278 nan 8.290 nan 0.000 0.527 834 A N 0.320 123.179 122.820 0.066 0.000 2.671 834 A HA 0.653 4.970 4.320 -0.004 0.000 0.306 834 A C 0.244 177.851 177.584 0.038 0.000 1.473 834 A CA 0.281 52.349 52.037 0.051 0.000 1.155 834 A CB 0.354 19.380 19.000 0.042 0.000 1.123 834 A HN 1.115 nan 8.150 nan 0.000 0.545 835 V N 3.199 123.139 119.914 0.043 0.000 2.588 835 V HA 0.454 4.571 4.120 -0.004 0.000 0.304 835 V C -0.480 175.638 176.094 0.040 0.000 1.042 835 V CA -0.517 61.810 62.300 0.045 0.000 0.877 835 V CB 1.991 33.860 31.823 0.077 0.000 0.996 835 V HN 0.468 nan 8.190 nan 0.000 0.425 836 V N 5.824 125.744 119.914 0.011 0.000 2.483 836 V HA 0.500 4.617 4.120 -0.004 0.000 0.297 836 V C -0.347 175.705 176.094 -0.071 0.000 1.027 836 V CA -0.506 61.792 62.300 -0.003 0.000 0.855 836 V CB 1.818 33.638 31.823 -0.005 0.000 0.995 836 V HN 0.617 nan 8.190 nan 0.000 0.424 837 L N 3.969 125.128 121.223 -0.107 0.000 2.322 837 L HA 0.892 5.230 4.340 -0.004 0.000 0.279 837 L C 0.206 176.825 176.870 -0.418 0.000 1.036 837 L CA -0.495 54.164 54.840 -0.301 0.000 0.807 837 L CB 1.743 43.582 42.059 -0.367 0.000 1.226 837 L HN 0.732 nan 8.230 nan 0.000 0.433 838 A N 3.841 126.410 122.820 -0.417 0.000 2.359 838 A HA 0.475 4.792 4.320 -0.004 0.000 0.303 838 A C -0.609 176.753 177.584 -0.371 0.000 1.066 838 A CA -0.543 51.297 52.037 -0.329 0.000 0.730 838 A CB 1.432 20.332 19.000 -0.167 0.000 1.211 838 A HN 0.728 nan 8.150 nan 0.000 0.439 839 L N 2.676 123.726 121.223 -0.288 0.000 2.540 839 L HA 0.092 4.429 4.340 -0.004 0.000 0.276 839 L C 0.393 177.176 176.870 -0.145 0.000 1.212 839 L CA 0.566 55.307 54.840 -0.164 0.000 0.893 839 L CB 0.420 42.525 42.059 0.076 0.000 1.138 839 L HN 0.872 nan 8.230 nan 0.000 0.491 840 E N 3.062 123.139 120.200 -0.204 0.000 4.027 840 E HA 0.324 4.672 4.350 -0.004 0.000 0.301 840 E C 0.249 176.832 176.600 -0.029 0.000 0.824 840 E CA -0.089 56.202 56.400 -0.182 0.000 1.453 840 E CB -0.263 29.157 29.700 -0.467 0.000 2.320 840 E HN 0.705 nan 8.360 nan 0.000 0.484 841 G N -0.805 108.010 108.800 0.025 0.000 2.494 841 G HA2 0.444 4.401 3.960 -0.004 0.000 0.270 841 G HA3 0.444 4.401 3.960 -0.004 0.000 0.270 841 G C -0.058 174.940 174.900 0.163 0.000 1.423 841 G CA 0.167 45.377 45.100 0.182 0.000 1.055 841 G HN 0.579 nan 8.290 nan 0.000 0.536 842 G N -2.006 106.926 108.800 0.219 0.000 3.448 842 G HA2 0.217 4.174 3.960 -0.004 0.000 0.685 842 G HA3 0.217 4.174 3.960 -0.004 0.000 0.685 842 G C -0.129 175.006 174.900 0.393 0.000 1.151 842 G CA 0.695 45.928 45.100 0.221 0.000 1.023 842 G HN 1.780 nan 8.290 nan 0.000 0.499 843 H N 0.065 119.459 119.070 0.541 0.000 3.058 843 H HA 0.337 4.890 4.556 -0.004 0.000 0.258 843 H C 0.574 176.031 175.328 0.214 0.000 1.015 843 H CA 0.403 56.631 56.048 0.299 0.000 1.210 843 H CB 0.662 30.558 29.762 0.224 0.000 1.481 843 H HN 0.469 nan 8.280 nan 0.000 0.492 844 D N 1.777 122.067 120.400 -0.183 0.000 2.358 844 D HA -0.036 4.601 4.640 -0.004 0.000 0.258 844 D C 1.080 177.373 176.300 -0.012 0.000 1.223 844 D CA -0.015 53.852 54.000 -0.222 0.000 0.886 844 D CB 0.970 41.449 40.800 -0.535 0.000 1.120 844 D HN 0.417 nan 8.370 nan 0.000 0.482 845 L N 3.082 124.336 121.223 0.053 0.000 2.093 845 L HA -0.186 4.152 4.340 -0.004 0.000 0.208 845 L C 2.572 179.459 176.870 0.028 0.000 1.085 845 L CA 1.371 56.254 54.840 0.071 0.000 0.755 845 L CB -0.575 41.543 42.059 0.099 0.000 0.904 845 L HN 0.525 nan 8.230 nan 0.000 0.435 846 T N -2.429 112.126 114.554 0.002 0.000 2.812 846 T HA -0.060 4.287 4.350 -0.004 0.000 0.264 846 T C 2.009 176.696 174.700 -0.021 0.000 1.042 846 T CA 0.831 62.924 62.100 -0.012 0.000 1.140 846 T CB -0.368 68.491 68.868 -0.014 0.000 0.870 846 T HN 0.293 nan 8.240 nan 0.000 0.445 847 A N 2.485 125.293 122.820 -0.019 0.000 1.902 847 A HA 0.083 4.401 4.320 -0.004 0.000 0.217 847 A C 2.456 180.030 177.584 -0.018 0.000 1.181 847 A CA 1.627 53.669 52.037 0.008 0.000 0.623 847 A CB -0.882 18.142 19.000 0.041 0.000 0.818 847 A HN 0.805 nan 8.150 nan 0.000 0.443 848 I N -3.240 117.343 120.570 0.023 0.000 2.617 848 I HA -0.121 4.046 4.170 -0.004 0.000 0.256 848 I C 2.175 178.211 176.117 -0.135 0.000 1.167 848 I CA 1.193 62.478 61.300 -0.024 0.000 1.469 848 I CB -0.709 37.411 38.000 0.199 0.000 1.098 848 I HN 0.222 nan 8.210 nan 0.000 0.436 849 C N 1.710 120.969 119.300 -0.069 0.000 2.446 849 C HA -0.099 4.358 4.460 -0.004 0.000 0.277 849 C C 2.416 177.320 174.990 -0.143 0.000 1.275 849 C CA 1.051 60.017 59.018 -0.087 0.000 1.727 849 C CB -1.027 26.687 27.740 -0.043 0.000 2.010 849 C HN 0.567 nan 8.230 nan 0.000 0.486 850 D N 1.074 121.398 120.400 -0.126 0.000 2.092 850 D HA -0.101 4.537 4.640 -0.004 0.000 0.193 850 D C 2.308 178.498 176.300 -0.183 0.000 0.994 850 D CA 1.902 55.832 54.000 -0.116 0.000 0.828 850 D CB -0.565 40.196 40.800 -0.065 0.000 0.963 850 D HN 0.471 nan 8.370 nan 0.000 0.450 851 A N 0.395 123.020 122.820 -0.324 0.000 1.877 851 A HA -0.147 4.170 4.320 -0.004 0.000 0.216 851 A C 2.415 179.598 177.584 -0.668 0.000 1.186 851 A CA 2.041 53.727 52.037 -0.585 0.000 0.620 851 A CB -0.630 17.683 19.000 -1.145 0.000 0.822 851 A HN 0.190 nan 8.150 nan 0.000 0.443 852 S N -0.584 114.706 115.700 -0.683 0.000 2.382 852 S HA -0.173 4.294 4.470 -0.004 0.000 0.228 852 S C 1.922 176.318 174.600 -0.340 0.000 1.027 852 S CA 1.281 59.247 58.200 -0.391 0.000 0.991 852 S CB -0.294 62.758 63.200 -0.246 0.000 0.823 852 S HN 0.708 nan 8.310 nan 0.000 0.469 853 E N 1.307 121.355 120.200 -0.253 0.000 2.051 853 E HA -0.175 4.173 4.350 -0.004 0.000 0.192 853 E C 2.210 178.744 176.600 -0.109 0.000 0.991 853 E CA 1.106 57.399 56.400 -0.179 0.000 0.799 853 E CB -0.234 29.383 29.700 -0.138 0.000 0.748 853 E HN 0.490 nan 8.360 nan 0.000 0.449 854 A N 0.427 123.203 122.820 -0.073 0.000 1.902 854 A HA -0.187 4.130 4.320 -0.004 0.000 0.217 854 A C 2.492 180.124 177.584 0.081 0.000 1.181 854 A CA 1.442 53.486 52.037 0.012 0.000 0.623 854 A CB -0.824 18.206 19.000 0.049 0.000 0.818 854 A HN 0.499 nan 8.150 nan 0.000 0.443 855 C N -1.356 118.020 119.300 0.126 0.000 2.453 855 C HA -0.040 4.418 4.460 -0.004 0.000 0.277 855 C C 2.712 177.832 174.990 0.216 0.000 1.262 855 C CA 0.913 60.110 59.018 0.298 0.000 1.718 855 C CB -1.257 26.860 27.740 0.627 0.000 2.031 855 C HN 0.449 nan 8.230 nan 0.000 0.480 856 V N 1.696 121.630 119.914 0.033 0.000 2.332 856 V HA -0.238 3.879 4.120 -0.004 0.000 0.248 856 V C 2.754 178.856 176.094 0.014 0.000 1.055 856 V CA 2.213 64.500 62.300 -0.021 0.000 1.038 856 V CB -1.355 30.342 31.823 -0.210 0.000 0.651 856 V HN 0.604 nan 8.190 nan 0.000 0.450 857 A N 0.176 122.996 122.820 0.000 0.000 1.892 857 A HA -0.222 4.095 4.320 -0.004 0.000 0.218 857 A C 2.456 180.072 177.584 0.054 0.000 1.188 857 A CA 2.478 54.523 52.037 0.014 0.000 0.631 857 A CB -0.916 18.087 19.000 0.004 0.000 0.822 857 A HN 0.606 nan 8.150 nan 0.000 0.447 858 A N -0.952 121.925 122.820 0.094 0.000 1.902 858 A HA -0.030 4.287 4.320 -0.004 0.000 0.217 858 A C 2.021 179.677 177.584 0.120 0.000 1.181 858 A CA 1.753 53.866 52.037 0.126 0.000 0.623 858 A CB -0.532 18.575 19.000 0.177 0.000 0.818 858 A HN 0.406 nan 8.150 nan 0.000 0.443 859 L N -0.460 120.841 121.223 0.130 0.000 2.083 859 L HA -0.068 4.270 4.340 -0.004 0.000 0.209 859 L C 2.269 179.176 176.870 0.061 0.000 1.083 859 L CA 1.395 56.304 54.840 0.115 0.000 0.752 859 L CB -0.978 41.173 42.059 0.153 0.000 0.899 859 L HN 0.382 nan 8.230 nan 0.000 0.433 860 L N -1.075 120.177 121.223 0.048 0.000 2.551 860 L HA 0.047 4.384 4.340 -0.004 0.000 0.228 860 L C 1.470 178.357 176.870 0.029 0.000 1.153 860 L CA 0.764 55.618 54.840 0.023 0.000 0.851 860 L CB -0.448 41.619 42.059 0.013 0.000 0.959 860 L HN 0.543 nan 8.230 nan 0.000 0.451 861 G N -1.037 107.792 108.800 0.048 0.000 2.163 861 G HA2 -0.221 3.736 3.960 -0.004 0.000 0.213 861 G HA3 -0.221 3.736 3.960 -0.004 0.000 0.213 861 G C -0.011 174.922 174.900 0.055 0.000 0.991 861 G CA -0.551 44.582 45.100 0.054 0.000 0.653 861 G HN 0.288 nan 8.290 nan 0.000 0.518 862 N N 1.150 119.881 118.700 0.051 0.000 2.475 862 N HA 0.345 5.083 4.740 -0.004 0.000 0.267 862 N C 0.486 176.036 175.510 0.067 0.000 1.169 862 N CA 0.284 53.361 53.050 0.045 0.000 0.947 862 N CB 0.595 39.099 38.487 0.028 0.000 1.061 862 N HN 0.463 nan 8.380 nan 0.000 0.466 863 R N 0.799 121.334 120.500 0.058 0.000 2.428 863 R HA 0.450 4.788 4.340 -0.004 0.000 0.294 863 R C -0.365 175.965 176.300 0.051 0.000 1.000 863 R CA -0.772 55.377 56.100 0.081 0.000 0.960 863 R CB 1.335 31.681 30.300 0.077 0.000 1.076 863 R HN 0.204 nan 8.270 nan 0.000 0.475 864 V N 3.175 123.136 119.914 0.077 0.000 2.465 864 V HA 0.061 4.179 4.120 -0.004 0.000 0.279 864 V C -0.440 175.569 176.094 -0.142 0.000 1.045 864 V CA -0.564 61.710 62.300 -0.044 0.000 0.938 864 V CB 1.401 33.210 31.823 -0.022 0.000 0.986 864 V HN 0.758 nan 8.190 nan 0.000 0.467 865 D N 6.138 126.428 120.400 -0.184 0.000 2.456 865 D HA 0.346 4.984 4.640 -0.004 0.000 0.219 865 D C -2.507 173.644 176.300 -0.248 0.000 1.126 865 D CA -2.222 51.679 54.000 -0.165 0.000 0.890 865 D CB 0.828 41.547 40.800 -0.135 0.000 1.025 865 D HN 0.261 nan 8.370 nan 0.000 0.511 866 P HA 0.246 nan 4.420 nan 0.000 0.274 866 P C 1.339 178.598 177.300 -0.069 0.000 1.237 866 P CA -0.216 62.834 63.100 -0.083 0.000 0.793 866 P CB 1.159 32.901 31.700 0.070 0.000 0.977 867 L N 0.016 121.210 121.223 -0.049 0.000 4.808 867 L HA -0.275 4.062 4.340 -0.004 0.000 0.396 867 L C 1.878 178.661 176.870 -0.145 0.000 0.811 867 L CA 2.254 57.053 54.840 -0.067 0.000 2.140 867 L CB -3.399 38.646 42.059 -0.024 0.000 1.363 867 L HN 0.621 nan 8.230 nan 0.000 0.611 868 S N -1.474 114.093 115.700 -0.221 0.000 2.660 868 S HA 0.369 4.836 4.470 -0.004 0.000 0.223 868 S C 0.543 174.943 174.600 -0.332 0.000 0.963 868 S CA 1.197 59.251 58.200 -0.242 0.000 0.932 868 S CB 0.074 63.126 63.200 -0.247 0.000 0.775 868 S HN 1.649 nan 8.310 nan 0.000 0.531 869 E N 1.113 121.066 120.200 -0.412 0.000 2.621 869 E HA 0.465 4.812 4.350 -0.004 0.000 0.263 869 E C -0.145 176.250 176.600 -0.342 0.000 1.033 869 E CA 0.170 56.235 56.400 -0.558 0.000 0.778 869 E CB 0.978 29.923 29.700 -1.259 0.000 1.426 869 E HN 0.452 nan 8.360 nan 0.000 0.394 870 E N 0.815 120.900 120.200 -0.192 0.000 2.425 870 E HA 0.448 4.796 4.350 -0.004 0.000 0.258 870 E C 1.272 177.846 176.600 -0.043 0.000 1.151 870 E CA 0.151 56.502 56.400 -0.081 0.000 0.958 870 E CB -0.016 nan 29.700 nan 0.000 0.968 870 E HN 1.108 nan 8.360 nan 0.000 0.451 871 G N -1.019 107.800 108.800 0.032 0.000 2.363 871 G HA2 -0.257 3.700 3.960 -0.004 0.000 0.238 871 G HA3 -0.257 3.700 3.960 -0.004 0.000 0.238 871 G C 1.000 176.052 174.900 0.254 0.000 1.062 871 G CA 0.796 45.951 45.100 0.093 0.000 0.629 871 G HN 0.729 nan 8.290 nan 0.000 0.514 872 W N 1.592 122.863 121.300 -0.049 0.000 3.077 872 W HA 0.404 5.062 4.660 -0.004 0.000 0.245 872 W C 2.090 178.593 176.519 -0.027 0.000 1.316 872 W CA 0.878 58.199 57.345 -0.040 0.000 1.537 872 W CB -0.146 29.282 29.460 -0.053 0.000 1.131 872 W HN 0.404 nan 8.180 nan 0.000 0.695 873 K N -0.188 120.313 120.400 0.169 0.000 2.379 873 K HA 0.004 4.321 4.320 -0.004 0.000 0.194 873 K C 0.878 177.514 176.600 0.059 0.000 1.031 873 K CA 0.214 56.555 56.287 0.090 0.000 1.037 873 K CB 0.131 32.663 32.500 0.053 0.000 0.824 873 K HN -0.108 nan 8.250 nan 0.000 0.516 874 Q N 1.894 121.730 119.800 0.059 0.000 2.352 874 Q HA 0.094 4.431 4.340 -0.004 0.000 0.260 874 Q C -0.399 175.607 176.000 0.011 0.000 0.976 874 Q CA 0.363 56.181 55.803 0.026 0.000 0.881 874 Q CB 0.781 29.529 28.738 0.017 0.000 1.235 874 Q HN 0.077 nan 8.270 nan 0.000 0.419 875 K N 3.344 123.744 120.400 -0.000 0.000 2.382 875 K HA 0.202 4.520 4.320 -0.004 0.000 0.275 875 K C -2.000 174.585 176.600 -0.026 0.000 1.009 875 K CA -1.306 54.977 56.287 -0.008 0.000 0.970 875 K CB -0.216 32.281 32.500 -0.006 0.000 0.934 875 K HN 0.379 nan 8.250 nan 0.000 0.479 876 P HA -0.070 nan 4.420 nan 0.000 0.269 876 P C -0.770 176.496 177.300 -0.057 0.000 1.209 876 P CA -0.267 62.797 63.100 -0.059 0.000 0.776 876 P CB 0.350 32.023 31.700 -0.044 0.000 0.876 877 N N 1.802 120.447 118.700 -0.090 0.000 2.326 877 N HA -0.059 4.678 4.740 -0.004 0.000 0.239 877 N C 0.880 176.361 175.510 -0.048 0.000 1.301 877 N CA -0.352 52.653 53.050 -0.074 0.000 0.909 877 N CB -0.092 38.334 38.487 -0.101 0.000 1.156 877 N HN 0.220 nan 8.380 nan 0.000 0.462 878 L N 0.860 122.065 121.223 -0.029 0.000 2.109 878 L HA 0.054 4.391 4.340 -0.004 0.000 0.207 878 L C 1.354 178.230 176.870 0.010 0.000 1.086 878 L CA 1.610 56.447 54.840 -0.006 0.000 0.760 878 L CB -1.382 40.676 42.059 -0.002 0.000 0.910 878 L HN 0.728 nan 8.230 nan 0.000 0.437 879 N N -0.430 118.271 118.700 0.002 0.000 2.104 879 N HA -0.195 4.543 4.740 -0.004 0.000 0.190 879 N C 1.814 177.371 175.510 0.078 0.000 1.024 879 N CA 1.234 54.303 53.050 0.031 0.000 0.853 879 N CB -0.263 38.230 38.487 0.010 0.000 1.008 879 N HN 0.494 nan 8.380 nan 0.000 0.424 880 A N 1.176 124.014 122.820 0.030 0.000 1.930 880 A HA -0.065 4.253 4.320 -0.004 0.000 0.217 880 A C 2.031 179.735 177.584 0.200 0.000 1.175 880 A CA 0.803 52.922 52.037 0.136 0.000 0.627 880 A CB -0.316 18.577 19.000 -0.178 0.000 0.815 880 A HN 0.131 nan 8.150 nan 0.000 0.443 881 I N 0.769 121.390 120.570 0.085 0.000 2.179 881 I HA -0.254 3.913 4.170 -0.004 0.000 0.242 881 I C 2.549 178.704 176.117 0.063 0.000 1.088 881 I CA 1.948 63.286 61.300 0.065 0.000 1.357 881 I CB -1.217 36.801 38.000 0.030 0.000 1.051 881 I HN 0.517 nan 8.210 nan 0.000 0.409 882 R N -0.063 120.475 120.500 0.063 0.000 2.236 882 R HA 0.068 4.405 4.340 -0.004 0.000 0.208 882 R C 2.143 178.477 176.300 0.056 0.000 1.036 882 R CA 0.894 57.025 56.100 0.051 0.000 1.001 882 R CB -0.554 29.773 30.300 0.044 0.000 0.896 882 R HN 0.120 nan 8.270 nan 0.000 0.464 883 S N 1.565 117.324 115.700 0.098 0.000 2.377 883 S HA 0.079 4.547 4.470 -0.004 0.000 0.223 883 S C 1.886 176.469 174.600 -0.027 0.000 1.030 883 S CA 0.685 58.929 58.200 0.074 0.000 0.970 883 S CB -0.084 63.254 63.200 0.229 0.000 0.830 883 S HN 0.187 nan 8.310 nan 0.000 0.473 884 L N 1.184 122.411 121.223 0.007 0.000 2.141 884 L HA -0.080 4.258 4.340 -0.004 0.000 0.209 884 L C 2.586 179.431 176.870 -0.042 0.000 1.094 884 L CA 1.178 55.980 54.840 -0.063 0.000 0.763 884 L CB -0.373 41.682 42.059 -0.006 0.000 0.908 884 L HN 0.300 nan 8.230 nan 0.000 0.437 885 E N 0.631 120.827 120.200 -0.007 0.000 2.152 885 E HA -0.166 4.181 4.350 -0.004 0.000 0.192 885 E C 2.114 178.710 176.600 -0.006 0.000 0.983 885 E CA 1.253 57.651 56.400 -0.003 0.000 0.818 885 E CB 0.009 29.715 29.700 0.009 0.000 0.758 885 E HN 0.345 nan 8.360 nan 0.000 0.467 886 A N 0.179 122.993 122.820 -0.010 0.000 1.933 886 A HA -0.105 4.212 4.320 -0.004 0.000 0.218 886 A C 2.428 180.006 177.584 -0.011 0.000 1.175 886 A CA 1.494 53.525 52.037 -0.011 0.000 0.628 886 A CB -0.688 18.305 19.000 -0.012 0.000 0.814 886 A HN 0.206 nan 8.150 nan 0.000 0.444 887 V N 0.241 120.136 119.914 -0.032 0.000 2.295 887 V HA -0.279 3.838 4.120 -0.004 0.000 0.246 887 V C 2.423 178.552 176.094 0.058 0.000 1.049 887 V CA 2.129 64.427 62.300 -0.003 0.000 1.024 887 V CB -0.736 31.017 31.823 -0.116 0.000 0.648 887 V HN 0.583 nan 8.190 nan 0.000 0.447 888 I N -0.321 120.256 120.570 0.012 0.000 2.163 888 I HA -0.287 3.881 4.170 -0.004 0.000 0.243 888 I C 2.714 178.857 176.117 0.042 0.000 1.085 888 I CA 1.873 63.191 61.300 0.031 0.000 1.347 888 I CB -0.430 37.572 38.000 0.003 0.000 1.044 888 I HN 0.169 nan 8.210 nan 0.000 0.408 889 R N 0.459 120.970 120.500 0.018 0.000 2.081 889 R HA -0.133 4.205 4.340 -0.004 0.000 0.235 889 R C 2.233 178.527 176.300 -0.010 0.000 1.131 889 R CA 1.368 57.469 56.100 0.001 0.000 0.960 889 R CB -0.188 30.109 30.300 -0.005 0.000 0.856 889 R HN 0.158 nan 8.270 nan 0.000 0.436 890 V N -0.380 119.533 119.914 -0.002 0.000 2.323 890 V HA -0.208 3.909 4.120 -0.004 0.000 0.244 890 V C 1.905 177.954 176.094 -0.074 0.000 1.041 890 V CA 1.679 63.947 62.300 -0.053 0.000 1.025 890 V CB -0.501 31.281 31.823 -0.069 0.000 0.656 890 V HN 0.453 nan 8.190 nan 0.000 0.451 891 H N 0.011 119.157 119.070 0.128 0.000 2.548 891 H HA 0.044 4.597 4.556 -0.004 0.000 0.265 891 H C 2.431 177.881 175.328 0.203 0.000 0.969 891 H CA 1.049 57.269 56.048 0.285 0.000 1.155 891 H CB 0.078 30.010 29.762 0.282 0.000 1.394 891 H HN 0.596 nan 8.280 nan 0.000 0.570 892 S N 0.645 116.422 115.700 0.128 0.000 2.465 892 S HA -0.169 4.299 4.470 -0.004 0.000 0.241 892 S C 1.932 176.471 174.600 -0.103 0.000 1.000 892 S CA 1.010 59.233 58.200 0.038 0.000 0.964 892 S CB -0.087 63.113 63.200 -0.000 0.000 0.763 892 S HN 0.321 nan 8.310 nan 0.000 0.512 893 K N -0.349 119.880 120.400 -0.285 0.000 2.211 893 K HA -0.060 4.258 4.320 -0.004 0.000 0.203 893 K C 0.813 176.932 176.600 -0.802 0.000 1.050 893 K CA 1.297 57.191 56.287 -0.655 0.000 0.945 893 K CB -0.076 31.792 32.500 -1.053 0.000 0.732 893 K HN 0.609 nan 8.250 nan 0.000 0.451 894 Y N -2.676 117.535 120.300 -0.149 0.000 2.512 894 Y HA 0.202 4.750 4.550 -0.004 0.000 0.268 894 Y C -0.279 175.299 175.900 -0.537 0.000 1.102 894 Y CA -0.569 57.276 58.100 -0.424 0.000 1.261 894 Y CB 0.527 38.612 38.460 -0.626 0.000 1.250 894 Y HN -0.036 nan 8.280 nan 0.000 0.506 895 W N -0.070 121.264 121.300 0.057 0.000 2.683 895 W HA 0.559 5.217 4.660 -0.004 0.000 0.329 895 W C 1.168 177.684 176.519 -0.004 0.000 1.037 895 W CA -0.876 56.481 57.345 0.019 0.000 1.232 895 W CB 1.508 30.975 29.460 0.012 0.000 1.390 895 W HN -0.010 nan 8.180 nan 0.000 0.465 896 G N 0.764 109.697 108.800 0.221 0.000 2.446 896 G HA2 -0.340 3.618 3.960 -0.004 0.000 0.217 896 G HA3 -0.340 3.618 3.960 -0.004 0.000 0.217 896 G C 1.445 176.414 174.900 0.115 0.000 1.168 896 G CA 1.635 46.809 45.100 0.124 0.000 0.771 896 G HN 0.792 nan 8.290 nan 0.000 0.551 897 C N -0.445 118.938 119.300 0.138 0.000 2.430 897 C HA 0.226 4.683 4.460 -0.004 0.000 0.288 897 C C 2.382 177.402 174.990 0.050 0.000 1.448 897 C CA 0.529 59.587 59.018 0.067 0.000 1.784 897 C CB -0.673 27.080 27.740 0.022 0.000 1.776 897 C HN 0.286 nan 8.230 nan 0.000 0.547 898 M N 0.011 119.671 119.600 0.100 0.000 2.371 898 M HA 0.205 4.683 4.480 -0.004 0.000 0.246 898 M C 0.422 176.758 176.300 0.061 0.000 1.103 898 M CA 0.575 55.923 55.300 0.079 0.000 1.010 898 M CB -0.587 32.105 32.600 0.153 0.000 1.457 898 M HN 0.529 nan 8.290 nan 0.000 0.486 899 Q N 2.571 122.403 119.800 0.054 0.000 2.349 899 Q HA 0.263 4.601 4.340 -0.004 0.000 0.254 899 Q C 0.109 176.118 176.000 0.015 0.000 0.980 899 Q CA -0.150 55.667 55.803 0.024 0.000 0.924 899 Q CB 1.134 29.881 28.738 0.014 0.000 1.209 899 Q HN 0.265 nan 8.270 nan 0.000 0.445 900 R N 2.078 122.582 120.500 0.007 0.000 2.832 900 R HA 0.464 4.802 4.340 -0.004 0.000 0.271 900 R C -0.673 175.626 176.300 -0.002 0.000 0.996 900 R CA -0.964 55.138 56.100 0.003 0.000 0.977 900 R CB 0.761 31.064 30.300 0.004 0.000 1.168 900 R HN 0.359 nan 8.270 nan 0.000 0.482 901 L N 0.000 121.222 121.223 -0.001 0.000 2.949 901 L HA 0.000 4.337 4.340 -0.004 0.000 0.249 901 L CA 0.000 54.838 54.840 -0.003 0.000 0.813 901 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 901 L HN 0.000 nan 8.230 nan 0.000 0.502