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 3jvz_1_C DATA FIRST_RESID 574 DATA SEQUENCE EFEFKQKYDY FRKKLKKPAD IPNRFEMKLH RNNIFEESYR RIMSVKRPDV DATA SEQUENCE LKARLWIEFE SEKGLDYGGV AREWFFLLSK EMFNPYYGLF EYSATDNYTL DATA SEQUENCE QINPNSGLCN EDHLSYFTFI GRVAGLAVFH GKLLDGFFIR PFYKMMLGKQ DATA SEQUENCE ITLNDMESVD SEYYNSLKWI LENDPTELDL MFCIDEENFG QTYQVDLKPN DATA SEQUENCE GSEIMVTNEN KREYIDLVIQ WRFVNRVQKQ MNAFLEGFTE LLPIDLIKIF DATA SEQUENCE DENELELLMC GLGDVDVNDW RQHSIYKNGY CPNHPVIQWF WKAVLLMDAE DATA SEQUENCE KRIRLLQFVT GTSRVPMNGF AELYGSNGPQ LFTIEQWGSP EKLPRAHTAF DATA SEQUENCE NRLDLPPYET FEDLREKLLM AVENAQG 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 574 E HA 0.000 nan 4.350 nan 0.000 0.291 574 E C 0.000 176.760 176.600 0.267 0.000 1.382 574 E CA 0.000 56.511 56.400 0.184 0.000 0.976 574 E CB 0.000 29.782 29.700 0.136 0.000 0.812 575 F N 3.482 123.493 119.950 0.102 0.000 2.216 575 F HA -0.003 4.525 4.527 0.001 0.000 0.300 575 F C 1.970 177.830 175.800 0.100 0.000 1.085 575 F CA 2.041 60.094 58.000 0.089 0.000 1.326 575 F CB 0.264 39.299 39.000 0.058 0.000 1.027 575 F HN 0.070 nan 8.300 nan 0.000 0.497 576 E N -0.391 119.903 120.200 0.157 0.000 2.021 576 E HA -0.212 4.139 4.350 0.001 0.000 0.189 576 E C 2.182 178.829 176.600 0.079 0.000 0.980 576 E CA 1.172 57.611 56.400 0.064 0.000 0.803 576 E CB -1.142 28.634 29.700 0.127 0.000 0.766 576 E HN 0.424 nan 8.360 nan 0.000 0.449 577 F N 3.120 123.095 119.950 0.041 0.000 2.127 577 F HA -0.348 4.180 4.527 0.001 0.000 0.299 577 F C 2.292 178.157 175.800 0.109 0.000 1.068 577 F CA 2.110 60.161 58.000 0.085 0.000 1.263 577 F CB -0.154 38.888 39.000 0.070 0.000 1.016 577 F HN -0.089 nan 8.300 nan 0.000 0.491 578 K N 0.077 120.444 120.400 -0.054 0.000 2.001 578 K HA -0.286 4.035 4.320 0.001 0.000 0.214 578 K C 2.068 178.598 176.600 -0.116 0.000 1.050 578 K CA 2.210 58.422 56.287 -0.125 0.000 0.934 578 K CB -0.377 32.054 32.500 -0.114 0.000 0.718 578 K HN 0.516 nan 8.250 nan 0.000 0.443 579 Q N 0.687 120.403 119.800 -0.141 0.000 1.998 579 Q HA -0.226 4.115 4.340 0.001 0.000 0.209 579 Q C 2.149 178.140 176.000 -0.014 0.000 1.002 579 Q CA 2.286 58.031 55.803 -0.097 0.000 0.858 579 Q CB -0.303 28.362 28.738 -0.122 0.000 0.932 579 Q HN 0.322 nan 8.270 nan 0.000 0.416 580 K N -0.149 120.233 120.400 -0.031 0.000 2.113 580 K HA -0.238 4.083 4.320 0.001 0.000 0.208 580 K C 2.054 178.678 176.600 0.040 0.000 1.047 580 K CA 1.615 57.895 56.287 -0.011 0.000 0.928 580 K CB -0.371 32.056 32.500 -0.122 0.000 0.716 580 K HN 0.200 nan 8.250 nan 0.000 0.446 581 Y N 2.608 122.800 120.300 -0.179 0.000 2.070 581 Y HA -0.236 4.314 4.550 0.001 0.000 0.279 581 Y C 1.483 177.440 175.900 0.094 0.000 1.134 581 Y CA 1.817 59.882 58.100 -0.057 0.000 1.113 581 Y CB -0.549 37.659 38.460 -0.420 0.000 0.981 581 Y HN 0.089 nan 8.280 nan 0.000 0.487 582 D N -1.076 119.300 120.400 -0.039 0.000 2.104 582 D HA -0.269 4.371 4.640 0.001 0.000 0.194 582 D C 1.932 178.187 176.300 -0.075 0.000 0.994 582 D CA 1.837 55.761 54.000 -0.127 0.000 0.830 582 D CB -0.762 40.019 40.800 -0.032 0.000 0.959 582 D HN 0.474 nan 8.370 nan 0.000 0.452 583 Y N 0.448 120.691 120.300 -0.095 0.000 2.193 583 Y HA -0.270 4.281 4.550 0.001 0.000 0.285 583 Y C 1.848 177.706 175.900 -0.070 0.000 1.166 583 Y CA 1.083 59.132 58.100 -0.084 0.000 1.181 583 Y CB -0.648 37.767 38.460 -0.075 0.000 0.976 583 Y HN 0.079 nan 8.280 nan 0.000 0.520 584 F N 0.892 120.621 119.950 -0.368 0.000 2.098 584 F HA -0.056 4.471 4.527 0.001 0.000 0.294 584 F C 2.270 177.861 175.800 -0.349 0.000 1.107 584 F CA 1.530 59.300 58.000 -0.382 0.000 1.234 584 F CB -0.534 38.443 39.000 -0.038 0.000 1.002 584 F HN -0.176 nan 8.300 nan 0.000 0.472 585 R N 0.880 121.019 120.500 -0.602 0.000 2.115 585 R HA -0.231 4.109 4.340 0.001 0.000 0.239 585 R C 2.209 178.151 176.300 -0.597 0.000 1.133 585 R CA 1.879 57.556 56.100 -0.705 0.000 0.935 585 R CB -1.186 28.784 30.300 -0.550 0.000 0.853 585 R HN 0.213 nan 8.270 nan 0.000 0.433 586 K N 1.504 121.658 120.400 -0.410 0.000 2.057 586 K HA -0.092 4.229 4.320 0.001 0.000 0.207 586 K C 1.748 178.149 176.600 -0.332 0.000 1.049 586 K CA 1.556 57.660 56.287 -0.304 0.000 0.931 586 K CB -0.178 32.217 32.500 -0.175 0.000 0.714 586 K HN 0.092 nan 8.250 nan 0.000 0.440 587 K N 0.032 120.182 120.400 -0.417 0.000 2.362 587 K HA -0.100 4.221 4.320 0.001 0.000 0.202 587 K C 0.150 176.543 176.600 -0.345 0.000 1.045 587 K CA 0.456 56.523 56.287 -0.366 0.000 0.936 587 K CB -0.274 31.953 32.500 -0.454 0.000 0.747 587 K HN 0.157 nan 8.250 nan 0.000 0.467 588 L N 1.356 122.296 121.223 -0.471 0.000 2.371 588 L HA 0.138 4.479 4.340 0.001 0.000 0.272 588 L C 0.101 176.790 176.870 -0.301 0.000 1.124 588 L CA -0.093 54.486 54.840 -0.436 0.000 0.816 588 L CB 0.916 42.540 42.059 -0.724 0.000 1.129 588 L HN -0.081 nan 8.230 nan 0.000 0.448 589 K N 2.208 122.512 120.400 -0.160 0.000 2.318 589 K HA 0.422 4.743 4.320 0.001 0.000 0.249 589 K C -1.053 175.570 176.600 0.039 0.000 0.942 589 K CA -1.074 55.168 56.287 -0.074 0.000 0.808 589 K CB 2.397 34.870 32.500 -0.046 0.000 1.189 589 K HN 0.214 nan 8.250 nan 0.000 0.428 590 K N 2.820 123.249 120.400 0.049 0.000 2.234 590 K HA 0.281 4.602 4.320 0.001 0.000 0.277 590 K C -2.389 174.249 176.600 0.064 0.000 1.038 590 K CA -1.641 54.719 56.287 0.121 0.000 0.888 590 K CB 0.735 33.300 32.500 0.108 0.000 1.091 590 K HN 0.223 nan 8.250 nan 0.000 0.467 591 P HA 0.035 nan 4.420 nan 0.000 0.273 591 P C -0.558 176.754 177.300 0.020 0.000 1.258 591 P CA -0.165 62.948 63.100 0.023 0.000 0.802 591 P CB 0.790 32.494 31.700 0.006 0.000 1.040 592 A N 0.305 123.131 122.820 0.010 0.000 1.969 592 A HA 0.019 4.340 4.320 0.001 0.000 0.205 592 A C 0.892 178.478 177.584 0.004 0.000 1.364 592 A CA 0.343 52.385 52.037 0.008 0.000 0.756 592 A CB -0.765 18.237 19.000 0.003 0.000 0.988 592 A HN 0.640 nan 8.150 nan 0.000 0.490 593 D N 1.522 121.922 120.400 0.000 0.000 2.924 593 D HA 0.104 4.744 4.640 0.001 0.000 0.239 593 D C 0.192 176.491 176.300 -0.002 0.000 1.198 593 D CA 0.313 54.311 54.000 -0.003 0.000 0.958 593 D CB -0.876 39.921 40.800 -0.005 0.000 1.169 593 D HN 0.630 nan 8.370 nan 0.000 0.438 594 I N -4.701 115.870 120.570 0.003 0.000 2.686 594 I HA 0.520 4.691 4.170 0.001 0.000 0.295 594 I C -2.771 173.354 176.117 0.013 0.000 1.114 594 I CA -2.711 58.593 61.300 0.008 0.000 1.038 594 I CB 1.659 39.663 38.000 0.007 0.000 1.238 594 I HN -0.376 nan 8.210 nan 0.000 0.420 595 P HA 0.044 nan 4.420 nan 0.000 0.271 595 P C 0.233 177.540 177.300 0.011 0.000 1.212 595 P CA -0.104 63.000 63.100 0.006 0.000 0.788 595 P CB 0.426 32.136 31.700 0.016 0.000 0.865 596 N N 1.124 119.814 118.700 -0.017 0.000 2.309 596 N HA -0.075 4.666 4.740 0.001 0.000 0.182 596 N C 0.450 175.967 175.510 0.012 0.000 1.018 596 N CA 1.199 54.241 53.050 -0.014 0.000 0.876 596 N CB 0.016 38.468 38.487 -0.058 0.000 0.972 596 N HN 0.462 nan 8.380 nan 0.000 0.434 597 R N -1.241 119.262 120.500 0.005 0.000 2.781 597 R HA 0.376 4.717 4.340 0.001 0.000 0.269 597 R C -1.574 174.798 176.300 0.120 0.000 1.025 597 R CA -0.801 55.338 56.100 0.065 0.000 0.914 597 R CB 1.100 31.411 30.300 0.019 0.000 1.236 597 R HN -0.115 nan 8.270 nan 0.000 0.465 598 F N 1.768 121.701 119.950 -0.029 0.000 2.404 598 F HA 0.281 4.808 4.527 0.001 0.000 0.354 598 F C -0.134 175.621 175.800 -0.076 0.000 1.122 598 F CA -0.868 57.088 58.000 -0.073 0.000 1.080 598 F CB 1.189 40.125 39.000 -0.108 0.000 1.131 598 F HN 0.256 nan 8.300 nan 0.000 0.471 599 E N 7.320 127.177 120.200 -0.571 0.000 2.159 599 E HA 0.096 4.447 4.350 0.001 0.000 0.272 599 E C -0.770 175.428 176.600 -0.670 0.000 1.138 599 E CA 0.184 56.296 56.400 -0.479 0.000 0.915 599 E CB 0.892 30.366 29.700 -0.377 0.000 1.028 599 E HN 0.715 nan 8.360 nan 0.000 0.423 600 M N 4.247 123.568 119.600 -0.466 0.000 2.204 600 M HA 0.235 4.716 4.480 0.001 0.000 0.293 600 M C -1.488 174.529 176.300 -0.472 0.000 0.994 600 M CA -0.476 54.518 55.300 -0.511 0.000 0.925 600 M CB 1.164 33.416 32.600 -0.580 0.000 1.577 600 M HN 0.163 nan 8.290 nan 0.000 0.439 601 K N 5.369 125.519 120.400 -0.417 0.000 2.615 601 K HA 0.709 5.030 4.320 0.001 0.000 0.249 601 K C -2.048 174.334 176.600 -0.363 0.000 0.977 601 K CA -0.905 55.133 56.287 -0.416 0.000 0.833 601 K CB 1.432 33.748 32.500 -0.306 0.000 1.208 601 K HN 0.541 nan 8.250 nan 0.000 0.443 602 L N -1.612 119.365 121.223 -0.411 0.000 2.671 602 L HA 0.503 4.844 4.340 0.001 0.000 0.259 602 L C -1.077 175.674 176.870 -0.198 0.000 1.021 602 L CA -1.141 53.536 54.840 -0.271 0.000 0.871 602 L CB 0.413 42.411 42.059 -0.100 0.000 1.472 602 L HN 0.532 nan 8.230 nan 0.000 0.410 603 H N -0.259 118.874 119.070 0.106 0.000 2.610 603 H HA 0.448 5.004 4.556 0.001 0.000 0.336 603 H C 0.810 176.296 175.328 0.265 0.000 1.087 603 H CA -0.070 56.087 56.048 0.182 0.000 1.405 603 H CB 1.319 31.148 29.762 0.112 0.000 1.460 603 H HN 0.638 nan 8.280 nan 0.000 0.538 604 R N 2.570 123.307 120.500 0.395 0.000 2.105 604 R HA -0.180 4.161 4.340 0.001 0.000 0.239 604 R C 1.490 177.899 176.300 0.182 0.000 1.135 604 R CA 1.625 57.874 56.100 0.249 0.000 0.967 604 R CB -0.010 30.278 30.300 -0.019 0.000 0.861 604 R HN 0.816 nan 8.270 nan 0.000 0.442 605 N N -0.274 118.525 118.700 0.165 0.000 2.571 605 N HA -0.160 4.581 4.740 0.001 0.000 0.189 605 N C 0.070 175.658 175.510 0.131 0.000 1.154 605 N CA 0.824 53.945 53.050 0.118 0.000 0.907 605 N CB -0.081 38.456 38.487 0.084 0.000 0.977 605 N HN 0.261 nan 8.380 nan 0.000 0.449 606 N N 0.186 118.993 118.700 0.179 0.000 2.622 606 N HA 0.089 4.830 4.740 0.001 0.000 0.293 606 N C 0.301 175.949 175.510 0.230 0.000 1.788 606 N CA -0.211 52.949 53.050 0.184 0.000 0.860 606 N CB 0.369 38.942 38.487 0.144 0.000 1.388 606 N HN 0.100 nan 8.380 nan 0.000 0.496 607 I N 0.076 120.794 120.570 0.247 0.000 2.315 607 I HA -0.164 4.007 4.170 0.001 0.000 0.248 607 I C 1.632 177.907 176.117 0.263 0.000 1.117 607 I CA 0.953 62.416 61.300 0.271 0.000 1.404 607 I CB -0.023 38.141 38.000 0.273 0.000 1.071 607 I HN 0.155 nan 8.210 nan 0.000 0.419 608 F N 2.131 122.156 119.950 0.126 0.000 2.000 608 F HA -0.274 4.253 4.527 0.001 0.000 0.295 608 F C 2.267 178.156 175.800 0.148 0.000 1.159 608 F CA 2.167 60.239 58.000 0.120 0.000 1.171 608 F CB -0.396 38.651 39.000 0.077 0.000 0.971 608 F HN 0.006 nan 8.300 nan 0.000 0.479 609 E N 0.144 120.557 120.200 0.355 0.000 2.401 609 E HA -0.164 4.186 4.350 0.001 0.000 0.199 609 E C 1.905 178.580 176.600 0.124 0.000 1.023 609 E CA 1.133 57.677 56.400 0.240 0.000 0.859 609 E CB -0.277 29.612 29.700 0.315 0.000 0.780 609 E HN 0.584 nan 8.360 nan 0.000 0.523 610 E N -0.350 119.921 120.200 0.118 0.000 2.086 610 E HA -0.004 4.347 4.350 0.001 0.000 0.190 610 E C 1.866 178.474 176.600 0.015 0.000 0.975 610 E CA 0.751 57.196 56.400 0.075 0.000 0.813 610 E CB 0.125 29.902 29.700 0.128 0.000 0.768 610 E HN 0.102 nan 8.360 nan 0.000 0.457 611 S N 0.688 116.433 115.700 0.076 0.000 2.383 611 S HA -0.167 4.304 4.470 0.001 0.000 0.227 611 S C 1.725 176.221 174.600 -0.173 0.000 1.026 611 S CA 0.937 59.227 58.200 0.151 0.000 0.981 611 S CB -0.359 63.109 63.200 0.447 0.000 0.818 611 S HN 0.333 nan 8.310 nan 0.000 0.472 612 Y N 2.718 122.608 120.300 -0.683 0.000 2.070 612 Y HA -0.139 4.411 4.550 0.001 0.000 0.280 612 Y C 2.329 177.789 175.900 -0.733 0.000 1.148 612 Y CA 1.571 58.846 58.100 -1.374 0.000 1.125 612 Y CB -0.484 37.230 38.460 -1.242 0.000 0.975 612 Y HN 0.032 nan 8.280 nan 0.000 0.492 613 R N -0.389 119.771 120.500 -0.567 0.000 2.159 613 R HA -0.194 4.147 4.340 0.001 0.000 0.237 613 R C 2.318 178.400 176.300 -0.363 0.000 1.131 613 R CA 1.414 57.215 56.100 -0.497 0.000 0.982 613 R CB -0.203 29.975 30.300 -0.203 0.000 0.868 613 R HN 0.230 nan 8.270 nan 0.000 0.453 614 R N 0.907 121.249 120.500 -0.263 0.000 2.052 614 R HA 0.007 4.347 4.340 0.001 0.000 0.224 614 R C 2.059 178.313 176.300 -0.077 0.000 1.149 614 R CA 1.208 57.222 56.100 -0.143 0.000 0.962 614 R CB -0.399 29.845 30.300 -0.092 0.000 0.856 614 R HN 0.012 nan 8.270 nan 0.000 0.433 615 I N 0.628 121.161 120.570 -0.062 0.000 2.142 615 I HA -0.206 3.965 4.170 0.001 0.000 0.240 615 I C 1.773 177.827 176.117 -0.106 0.000 1.078 615 I CA 1.248 62.557 61.300 0.015 0.000 1.343 615 I CB -0.922 37.178 38.000 0.168 0.000 1.046 615 I HN 0.226 nan 8.210 nan 0.000 0.405 616 M N 1.026 120.440 119.600 -0.310 0.000 2.748 616 M HA -0.061 4.420 4.480 0.001 0.000 0.241 616 M C 1.926 178.067 176.300 -0.265 0.000 1.080 616 M CA 0.825 55.925 55.300 -0.332 0.000 1.068 616 M CB -1.386 30.811 32.600 -0.673 0.000 1.536 616 M HN 0.413 nan 8.290 nan 0.000 0.540 617 S N -1.187 114.391 115.700 -0.203 0.000 2.505 617 S HA 0.117 4.587 4.470 0.001 0.000 0.216 617 S C 0.737 175.296 174.600 -0.069 0.000 1.018 617 S CA -0.353 57.762 58.200 -0.140 0.000 0.911 617 S CB -0.771 62.343 63.200 -0.144 0.000 0.818 617 S HN 0.286 nan 8.310 nan 0.000 0.497 618 V N 1.163 121.056 119.914 -0.036 0.000 2.788 618 V HA 0.315 4.436 4.120 0.001 0.000 0.307 618 V C 1.091 177.171 176.094 -0.024 0.000 1.069 618 V CA -0.403 61.898 62.300 0.001 0.000 1.173 618 V CB 0.385 32.218 31.823 0.017 0.000 0.925 618 V HN 0.115 nan 8.190 nan 0.000 0.492 619 K N 3.483 123.874 120.400 -0.015 0.000 2.056 619 K HA 0.135 4.456 4.320 0.001 0.000 0.205 619 K C 0.876 177.462 176.600 -0.022 0.000 1.035 619 K CA 0.997 57.272 56.287 -0.019 0.000 0.955 619 K CB -0.096 32.396 32.500 -0.015 0.000 0.769 619 K HN 0.765 nan 8.250 nan 0.000 0.447 620 R N 3.268 123.756 120.500 -0.021 0.000 2.248 620 R HA 0.097 4.438 4.340 0.001 0.000 0.337 620 R C -1.776 174.491 176.300 -0.055 0.000 1.085 620 R CA -1.123 54.958 56.100 -0.031 0.000 0.934 620 R CB 0.256 30.541 30.300 -0.024 0.000 1.034 620 R HN 0.097 nan 8.270 nan 0.000 0.465 621 P HA -0.124 nan 4.420 nan 0.000 0.236 621 P C -0.160 177.053 177.300 -0.145 0.000 1.172 621 P CA 0.863 63.902 63.100 -0.102 0.000 0.759 621 P CB 0.408 32.061 31.700 -0.077 0.000 0.843 622 D N 0.174 120.505 120.400 -0.114 0.000 2.149 622 D HA -0.114 4.526 4.640 0.001 0.000 0.201 622 D C 2.051 178.259 176.300 -0.153 0.000 0.972 622 D CA 1.033 54.957 54.000 -0.126 0.000 0.835 622 D CB -0.616 40.142 40.800 -0.070 0.000 0.966 622 D HN 0.029 nan 8.370 nan 0.000 0.476 623 V N -0.390 119.452 119.914 -0.120 0.000 2.688 623 V HA -0.189 3.932 4.120 0.001 0.000 0.256 623 V C 1.830 177.787 176.094 -0.228 0.000 1.084 623 V CA 1.277 63.522 62.300 -0.092 0.000 1.103 623 V CB -0.990 30.839 31.823 0.010 0.000 0.688 623 V HN 0.228 nan 8.190 nan 0.000 0.480 624 L N -0.628 120.342 121.223 -0.423 0.000 2.551 624 L HA 0.024 4.365 4.340 0.001 0.000 0.228 624 L C 2.387 179.030 176.870 -0.378 0.000 1.153 624 L CA 1.129 55.583 54.840 -0.643 0.000 0.851 624 L CB -0.756 40.954 42.059 -0.583 0.000 0.959 624 L HN 0.337 nan 8.230 nan 0.000 0.451 625 K N 0.604 120.791 120.400 -0.354 0.000 2.487 625 K HA 0.175 4.496 4.320 0.001 0.000 0.192 625 K C 1.156 177.755 176.600 -0.002 0.000 1.027 625 K CA -0.083 55.951 56.287 -0.422 0.000 1.054 625 K CB 0.203 32.431 32.500 -0.454 0.000 0.824 625 K HN 0.242 nan 8.250 nan 0.000 0.510 626 A N 1.793 124.624 122.820 0.019 0.000 2.281 626 A HA 0.096 4.417 4.320 0.001 0.000 0.271 626 A C 0.129 177.815 177.584 0.169 0.000 1.196 626 A CA -0.216 51.886 52.037 0.107 0.000 0.807 626 A CB 0.140 19.213 19.000 0.123 0.000 1.138 626 A HN 0.297 nan 8.150 nan 0.000 0.506 627 R N -0.891 119.692 120.500 0.138 0.000 2.490 627 R HA 0.351 4.692 4.340 0.001 0.000 0.280 627 R C -1.178 175.167 176.300 0.074 0.000 1.077 627 R CA -0.550 55.613 56.100 0.105 0.000 1.065 627 R CB 0.138 30.523 30.300 0.141 0.000 1.003 627 R HN 0.459 nan 8.270 nan 0.000 0.470 628 L N 5.296 126.481 121.223 -0.063 0.000 2.325 628 L HA 0.185 4.525 4.340 0.001 0.000 0.284 628 L C -0.917 175.972 176.870 0.033 0.000 1.089 628 L CA 0.476 55.270 54.840 -0.077 0.000 0.836 628 L CB 0.481 42.406 42.059 -0.224 0.000 1.184 628 L HN 0.559 nan 8.230 nan 0.000 0.444 629 W N 8.045 129.246 121.300 -0.164 0.000 2.393 629 W HA 0.483 5.144 4.660 0.001 0.000 0.315 629 W C -1.313 175.013 176.519 -0.321 0.000 1.009 629 W CA -0.679 56.563 57.345 -0.171 0.000 1.313 629 W CB 1.368 30.765 29.460 -0.104 0.000 1.269 629 W HN 0.305 nan 8.180 nan 0.000 0.420 630 I N 4.064 124.274 120.570 -0.599 0.000 2.646 630 I HA 0.401 4.572 4.170 0.001 0.000 0.299 630 I C -0.261 175.313 176.117 -0.904 0.000 1.036 630 I CA -0.734 60.136 61.300 -0.716 0.000 1.074 630 I CB 2.622 40.157 38.000 -0.773 0.000 1.258 630 I HN 0.254 nan 8.210 nan 0.000 0.430 631 E N 4.720 124.393 120.200 -0.878 0.000 2.308 631 E HA 0.449 4.799 4.350 0.001 0.000 0.275 631 E C -1.922 174.257 176.600 -0.702 0.000 0.890 631 E CA -0.598 55.301 56.400 -0.835 0.000 0.754 631 E CB 2.001 31.282 29.700 -0.698 0.000 1.207 631 E HN 0.348 nan 8.360 nan 0.000 0.426 632 F N 2.323 122.104 119.950 -0.283 0.000 2.415 632 F HA 0.252 4.780 4.527 0.001 0.000 0.348 632 F C 1.457 177.162 175.800 -0.158 0.000 1.119 632 F CA -0.695 57.192 58.000 -0.189 0.000 1.069 632 F CB 1.373 40.313 39.000 -0.100 0.000 1.124 632 F HN 0.435 nan 8.300 nan 0.000 0.472 633 E N 1.309 121.461 120.200 -0.079 0.000 2.520 633 E HA -0.065 4.286 4.350 0.001 0.000 0.201 633 E C 0.913 177.567 176.600 0.089 0.000 1.122 633 E CA 0.480 56.847 56.400 -0.055 0.000 0.896 633 E CB 0.073 29.642 29.700 -0.219 0.000 0.891 633 E HN 0.764 nan 8.360 nan 0.000 0.533 634 S N -0.441 115.338 115.700 0.132 0.000 3.393 634 S HA 0.125 4.596 4.470 0.001 0.000 0.209 634 S C 0.922 175.572 174.600 0.084 0.000 0.897 634 S CA -0.467 57.807 58.200 0.123 0.000 0.825 634 S CB 0.171 63.451 63.200 0.135 0.000 0.898 634 S HN -0.032 nan 8.310 nan 0.000 0.615 635 E N 2.724 122.962 120.200 0.065 0.000 2.392 635 E HA 0.259 4.609 4.350 0.001 0.000 0.307 635 E C -1.028 175.621 176.600 0.082 0.000 1.505 635 E CA -0.002 56.416 56.400 0.030 0.000 1.716 635 E CB -0.215 29.445 29.700 -0.066 0.000 1.450 635 E HN 0.489 nan 8.360 nan 0.000 0.484 636 K N 0.658 121.118 120.400 0.100 0.000 2.315 636 K HA 0.205 4.526 4.320 0.001 0.000 0.281 636 K C 0.542 177.227 176.600 0.142 0.000 1.086 636 K CA 0.048 56.415 56.287 0.134 0.000 1.042 636 K CB 0.488 33.060 32.500 0.120 0.000 0.949 636 K HN 0.161 nan 8.250 nan 0.000 0.450 637 G N 2.328 111.245 108.800 0.195 0.000 2.662 637 G HA2 0.367 4.327 3.960 0.001 0.000 0.302 637 G HA3 0.367 4.327 3.960 0.001 0.000 0.302 637 G C -1.382 173.689 174.900 0.284 0.000 1.389 637 G CA -0.854 44.346 45.100 0.166 0.000 0.998 637 G HN 0.445 nan 8.290 nan 0.000 0.502 638 L N 1.830 123.126 121.223 0.122 0.000 2.448 638 L HA 0.435 4.775 4.340 0.001 0.000 0.278 638 L C -0.345 176.515 176.870 -0.017 0.000 1.201 638 L CA -0.003 54.792 54.840 -0.074 0.000 1.036 638 L CB -0.250 41.703 42.059 -0.176 0.000 1.325 638 L HN 0.492 nan 8.230 nan 0.000 0.441 639 D N 2.108 122.606 120.400 0.163 0.000 3.195 639 D HA 0.082 4.723 4.640 0.001 0.000 0.245 639 D C 0.547 176.883 176.300 0.059 0.000 1.462 639 D CA 0.968 55.017 54.000 0.082 0.000 1.259 639 D CB -0.049 40.803 40.800 0.086 0.000 1.199 639 D HN 0.535 nan 8.370 nan 0.000 0.345 640 Y N -0.218 119.875 120.300 -0.345 0.000 4.899 640 Y HA -0.275 4.276 4.550 0.001 0.000 0.241 640 Y C 1.389 176.783 175.900 -0.843 0.000 0.976 640 Y CA 0.193 57.831 58.100 -0.771 0.000 1.952 640 Y CB -1.215 36.531 38.460 -1.189 0.000 1.496 640 Y HN 0.294 nan 8.280 nan 0.000 0.545 641 G N -1.313 107.329 108.800 -0.263 0.000 2.801 641 G HA2 0.307 4.268 3.960 0.001 0.000 0.213 641 G HA3 0.307 4.268 3.960 0.001 0.000 0.213 641 G C 1.302 176.177 174.900 -0.041 0.000 1.052 641 G CA 0.490 45.502 45.100 -0.148 0.000 0.868 641 G HN 0.459 nan 8.290 nan 0.000 0.589 642 G N 1.148 109.936 108.800 -0.020 0.000 2.662 642 G HA2 0.095 4.056 3.960 0.001 0.000 0.212 642 G HA3 0.095 4.056 3.960 0.001 0.000 0.212 642 G C 1.840 176.774 174.900 0.056 0.000 1.141 642 G CA 1.329 46.449 45.100 0.033 0.000 0.797 642 G HN 0.608 nan 8.290 nan 0.000 0.531 643 V N -0.343 119.581 119.914 0.016 0.000 2.469 643 V HA -0.067 4.054 4.120 0.001 0.000 0.251 643 V C 2.918 179.083 176.094 0.118 0.000 1.064 643 V CA 1.813 64.165 62.300 0.087 0.000 1.066 643 V CB -1.222 30.573 31.823 -0.047 0.000 0.667 643 V HN 0.342 nan 8.190 nan 0.000 0.461 644 A N 0.832 123.677 122.820 0.042 0.000 1.873 644 A HA -0.278 4.043 4.320 0.001 0.000 0.218 644 A C 2.368 180.135 177.584 0.305 0.000 1.193 644 A CA 2.562 54.669 52.037 0.116 0.000 0.629 644 A CB -0.724 18.337 19.000 0.101 0.000 0.826 644 A HN 0.509 nan 8.150 nan 0.000 0.447 645 R N -0.220 120.442 120.500 0.270 0.000 2.083 645 R HA -0.157 4.184 4.340 0.001 0.000 0.237 645 R C 2.238 178.736 176.300 0.330 0.000 1.137 645 R CA 1.977 58.260 56.100 0.304 0.000 0.951 645 R CB -0.480 29.926 30.300 0.177 0.000 0.851 645 R HN 0.802 nan 8.270 nan 0.000 0.434 646 E N -1.312 119.051 120.200 0.272 0.000 2.047 646 E HA -0.235 4.116 4.350 0.001 0.000 0.191 646 E C 1.743 178.579 176.600 0.393 0.000 0.987 646 E CA 1.317 57.897 56.400 0.299 0.000 0.799 646 E CB -0.389 29.438 29.700 0.211 0.000 0.752 646 E HN 0.454 nan 8.360 nan 0.000 0.449 647 W N 0.659 122.070 121.300 0.185 0.000 2.304 647 W HA -0.263 4.397 4.660 0.001 0.000 0.315 647 W C 1.744 178.278 176.519 0.025 0.000 1.233 647 W CA 1.995 59.395 57.345 0.093 0.000 1.261 647 W CB -0.668 28.709 29.460 -0.138 0.000 1.150 647 W HN 0.131 nan 8.180 nan 0.000 0.494 648 F N -0.665 119.346 119.950 0.101 0.000 2.075 648 F HA -0.151 4.376 4.527 0.001 0.000 0.297 648 F C 2.324 178.057 175.800 -0.112 0.000 1.113 648 F CA 1.901 59.808 58.000 -0.155 0.000 1.218 648 F CB -1.779 37.252 39.000 0.051 0.000 0.984 648 F HN -0.094 nan 8.300 nan 0.000 0.472 649 F N -0.206 119.821 119.950 0.128 0.000 2.202 649 F HA -0.185 4.342 4.527 0.001 0.000 0.301 649 F C 1.819 177.605 175.800 -0.024 0.000 1.082 649 F CA 1.219 59.244 58.000 0.042 0.000 1.313 649 F CB -0.284 38.754 39.000 0.063 0.000 1.024 649 F HN -0.109 nan 8.300 nan 0.000 0.495 650 L N -0.743 120.456 121.223 -0.041 0.000 2.307 650 L HA 0.013 4.354 4.340 0.001 0.000 0.211 650 L C 1.950 178.697 176.870 -0.206 0.000 1.099 650 L CA 0.869 55.635 54.840 -0.123 0.000 0.816 650 L CB -0.840 41.262 42.059 0.072 0.000 0.952 650 L HN 0.220 nan 8.230 nan 0.000 0.455 651 L N -1.666 119.357 121.223 -0.334 0.000 2.240 651 L HA -0.021 4.320 4.340 0.001 0.000 0.211 651 L C 2.389 179.029 176.870 -0.384 0.000 1.106 651 L CA 1.263 55.868 54.840 -0.391 0.000 0.793 651 L CB -0.445 41.146 42.059 -0.780 0.000 0.927 651 L HN 0.124 nan 8.230 nan 0.000 0.446 652 S N -0.396 115.046 115.700 -0.429 0.000 2.356 652 S HA -0.126 4.345 4.470 0.001 0.000 0.223 652 S C 1.773 176.116 174.600 -0.429 0.000 1.032 652 S CA 0.985 58.870 58.200 -0.525 0.000 1.005 652 S CB -0.233 62.774 63.200 -0.323 0.000 0.867 652 S HN 0.378 nan 8.310 nan 0.000 0.449 653 K N 0.826 121.002 120.400 -0.373 0.000 2.442 653 K HA 0.026 4.346 4.320 0.001 0.000 0.198 653 K C 1.420 177.896 176.600 -0.207 0.000 1.044 653 K CA 0.710 56.824 56.287 -0.288 0.000 0.948 653 K CB -0.010 32.289 32.500 -0.334 0.000 0.762 653 K HN 0.359 nan 8.250 nan 0.000 0.472 654 E N 0.051 120.124 120.200 -0.211 0.000 2.152 654 E HA 0.133 4.484 4.350 0.001 0.000 0.195 654 E C 2.065 178.468 176.600 -0.328 0.000 0.934 654 E CA 0.396 56.693 56.400 -0.172 0.000 0.869 654 E CB -0.087 29.653 29.700 0.067 0.000 0.842 654 E HN 0.181 nan 8.360 nan 0.000 0.472 655 M N 0.262 119.737 119.600 -0.209 0.000 2.086 655 M HA -0.096 4.384 4.480 0.001 0.000 0.261 655 M C 0.612 176.735 176.300 -0.296 0.000 1.067 655 M CA 1.303 56.467 55.300 -0.227 0.000 1.116 655 M CB -0.253 31.942 32.600 -0.675 0.000 1.348 655 M HN -0.060 nan 8.290 nan 0.000 0.407 656 F N 0.833 120.646 119.950 -0.228 0.000 2.980 656 F HA 0.274 4.802 4.527 0.001 0.000 0.299 656 F C 0.500 176.121 175.800 -0.299 0.000 1.211 656 F CA -1.323 56.481 58.000 -0.326 0.000 1.328 656 F CB -1.211 37.508 39.000 -0.468 0.000 1.154 656 F HN 0.081 nan 8.300 nan 0.000 0.528 657 N N 2.132 120.766 118.700 -0.110 0.000 2.437 657 N HA 0.191 4.931 4.740 0.001 0.000 0.259 657 N C -2.005 173.337 175.510 -0.280 0.000 0.983 657 N CA -1.901 51.038 53.050 -0.185 0.000 0.937 657 N CB 2.102 40.537 38.487 -0.086 0.000 1.122 657 N HN -0.048 nan 8.380 nan 0.000 0.499 658 P HA -0.139 nan 4.420 nan 0.000 0.216 658 P C 0.317 177.253 177.300 -0.606 0.000 1.154 658 P CA 1.626 64.236 63.100 -0.816 0.000 0.865 658 P CB -0.078 30.766 31.700 -1.426 0.000 0.789 659 Y N -3.847 116.403 120.300 -0.083 0.000 2.578 659 Y HA -0.009 4.541 4.550 0.001 0.000 0.297 659 Y C 2.176 178.034 175.900 -0.070 0.000 1.176 659 Y CA 0.057 58.119 58.100 -0.064 0.000 1.315 659 Y CB -0.939 37.487 38.460 -0.055 0.000 1.031 659 Y HN 0.039 nan 8.280 nan 0.000 0.524 660 Y N 0.114 120.345 120.300 -0.116 0.000 2.343 660 Y HA 0.279 4.830 4.550 0.001 0.000 0.294 660 Y C 2.081 177.891 175.900 -0.151 0.000 1.122 660 Y CA 1.149 59.153 58.100 -0.161 0.000 1.173 660 Y CB 0.275 38.576 38.460 -0.265 0.000 1.077 660 Y HN 0.116 nan 8.280 nan 0.000 0.542 661 G N -0.637 108.201 108.800 0.064 0.000 2.211 661 G HA2 -0.232 3.729 3.960 0.001 0.000 0.201 661 G HA3 -0.232 3.729 3.960 0.001 0.000 0.201 661 G C 0.829 175.753 174.900 0.041 0.000 0.997 661 G CA 0.295 45.400 45.100 0.007 0.000 0.652 661 G HN 0.348 nan 8.290 nan 0.000 0.500 662 L N -0.987 120.286 121.223 0.084 0.000 2.162 662 L HA 0.450 4.791 4.340 0.001 0.000 0.205 662 L C 0.904 177.627 176.870 -0.245 0.000 1.086 662 L CA 0.806 55.570 54.840 -0.127 0.000 0.778 662 L CB -0.055 41.849 42.059 -0.258 0.000 0.928 662 L HN 0.165 nan 8.230 nan 0.000 0.446 663 F N -0.667 119.305 119.950 0.036 0.000 2.577 663 F HA 0.396 4.924 4.527 0.002 0.000 0.318 663 F C 0.048 175.757 175.800 -0.152 0.000 1.065 663 F CA -0.965 57.032 58.000 -0.006 0.000 0.929 663 F CB 1.800 40.808 39.000 0.014 0.000 1.237 663 F HN -0.086 nan 8.300 nan 0.000 0.468 664 E N -0.164 120.035 120.200 -0.001 0.000 2.445 664 E HA 0.476 4.827 4.350 0.001 0.000 0.273 664 E C -1.997 174.513 176.600 -0.150 0.000 0.961 664 E CA -1.015 55.281 56.400 -0.173 0.000 0.807 664 E CB 1.686 31.323 29.700 -0.106 0.000 1.362 664 E HN 0.360 nan 8.360 nan 0.000 0.453 665 Y N 1.081 121.327 120.300 -0.090 0.000 2.299 665 Y HA 0.092 4.642 4.550 0.001 0.000 0.326 665 Y C 1.872 177.727 175.900 -0.075 0.000 1.164 665 Y CA 0.023 58.075 58.100 -0.080 0.000 1.234 665 Y CB 1.807 40.218 38.460 -0.082 0.000 1.219 665 Y HN 0.783 nan 8.280 nan 0.000 0.497 666 S N 1.761 117.531 115.700 0.117 0.000 2.345 666 S HA 0.092 4.562 4.470 0.001 0.000 0.220 666 S C 0.825 175.417 174.600 -0.015 0.000 1.031 666 S CA 0.667 58.885 58.200 0.030 0.000 0.996 666 S CB -0.323 62.896 63.200 0.031 0.000 0.882 666 S HN 0.675 nan 8.310 nan 0.000 0.445 667 A N 0.403 123.193 122.820 -0.050 0.000 2.344 667 A HA 0.669 4.990 4.320 0.001 0.000 0.307 667 A C 0.886 178.396 177.584 -0.124 0.000 1.151 667 A CA -0.140 51.843 52.037 -0.090 0.000 0.842 667 A CB 0.557 19.482 19.000 -0.126 0.000 1.350 667 A HN 0.249 nan 8.150 nan 0.000 0.459 668 T N 0.537 115.020 114.554 -0.117 0.000 3.118 668 T HA 0.022 4.372 4.350 0.001 0.000 0.260 668 T C 0.119 174.666 174.700 -0.254 0.000 1.139 668 T CA 1.323 63.332 62.100 -0.151 0.000 1.085 668 T CB -0.346 68.490 68.868 -0.053 0.000 0.934 668 T HN 0.732 nan 8.240 nan 0.000 0.518 669 D N -0.488 119.710 120.400 -0.336 0.000 2.692 669 D HA 0.131 4.771 4.640 0.001 0.000 0.290 669 D C 0.671 176.387 176.300 -0.974 0.000 1.455 669 D CA -0.316 53.346 54.000 -0.563 0.000 0.796 669 D CB -0.292 40.369 40.800 -0.233 0.000 1.131 669 D HN 0.039 nan 8.370 nan 0.000 0.467 670 N N 0.443 118.603 118.700 -0.899 0.000 2.460 670 N HA -0.029 4.712 4.740 0.001 0.000 0.193 670 N C 0.241 175.346 175.510 -0.675 0.000 1.080 670 N CA 0.269 52.911 53.050 -0.680 0.000 0.869 670 N CB 0.098 38.405 38.487 -0.300 0.000 1.201 670 N HN 0.228 nan 8.380 nan 0.000 0.457 671 Y N -0.369 119.656 120.300 -0.458 0.000 4.753 671 Y HA -0.289 4.262 4.550 0.001 0.000 0.232 671 Y C -0.122 175.776 175.900 -0.003 0.000 1.029 671 Y CA 0.624 58.380 58.100 -0.573 0.000 1.996 671 Y CB -2.667 35.531 38.460 -0.436 0.000 1.602 671 Y HN 0.082 nan 8.280 nan 0.000 0.621 672 T N -0.525 114.097 114.554 0.113 0.000 2.799 672 T HA 0.685 5.036 4.350 0.001 0.000 0.286 672 T C -0.087 174.670 174.700 0.095 0.000 0.973 672 T CA -0.936 61.211 62.100 0.079 0.000 1.035 672 T CB 1.930 70.808 68.868 0.016 0.000 0.932 672 T HN 0.229 nan 8.240 nan 0.000 0.469 673 L N 3.126 124.302 121.223 -0.078 0.000 2.418 673 L HA 0.518 4.859 4.340 0.001 0.000 0.265 673 L C 0.527 177.450 176.870 0.089 0.000 1.143 673 L CA -0.341 54.459 54.840 -0.067 0.000 0.809 673 L CB 0.693 42.537 42.059 -0.357 0.000 1.124 673 L HN 0.859 nan 8.230 nan 0.000 0.456 674 Q N 1.318 121.221 119.800 0.171 0.000 2.391 674 Q HA 0.510 4.851 4.340 0.001 0.000 0.279 674 Q C -1.315 174.744 176.000 0.097 0.000 1.028 674 Q CA -1.076 54.807 55.803 0.134 0.000 0.836 674 Q CB 1.528 30.313 28.738 0.077 0.000 1.414 674 Q HN 0.322 nan 8.270 nan 0.000 0.397 675 I N 2.244 122.780 120.570 -0.057 0.000 2.821 675 I HA -0.055 4.115 4.170 0.001 0.000 0.294 675 I C 0.438 176.458 176.117 -0.162 0.000 1.210 675 I CA 0.307 61.434 61.300 -0.289 0.000 1.430 675 I CB -0.271 37.552 38.000 -0.295 0.000 1.356 675 I HN 0.592 nan 8.210 nan 0.000 0.563 676 N N 9.617 128.238 118.700 -0.130 0.000 2.401 676 N HA 0.137 4.878 4.740 0.001 0.000 0.255 676 N C -1.506 173.973 175.510 -0.053 0.000 1.110 676 N CA -1.901 51.105 53.050 -0.074 0.000 0.949 676 N CB 1.146 39.610 38.487 -0.039 0.000 1.110 676 N HN 0.337 nan 8.380 nan 0.000 0.490 677 P HA -0.133 nan 4.420 nan 0.000 0.218 677 P C -0.230 177.059 177.300 -0.019 0.000 1.146 677 P CA 1.344 64.391 63.100 -0.087 0.000 0.813 677 P CB 0.242 31.845 31.700 -0.162 0.000 0.778 678 N N -0.451 118.238 118.700 -0.018 0.000 2.455 678 N HA 0.044 4.784 4.740 0.001 0.000 0.258 678 N C 1.478 176.994 175.510 0.011 0.000 1.158 678 N CA -0.150 52.899 53.050 -0.003 0.000 0.893 678 N CB 0.016 38.492 38.487 -0.018 0.000 1.173 678 N HN 0.164 nan 8.380 nan 0.000 0.503 679 S N -1.071 114.680 115.700 0.084 0.000 2.371 679 S HA -0.059 4.411 4.470 0.001 0.000 0.224 679 S C 2.200 176.830 174.600 0.050 0.000 1.029 679 S CA 0.918 59.209 58.200 0.153 0.000 0.978 679 S CB -0.599 62.839 63.200 0.397 0.000 0.833 679 S HN 0.336 nan 8.310 nan 0.000 0.466 680 G N 1.688 110.426 108.800 -0.105 0.000 2.479 680 G HA2 -0.027 3.934 3.960 0.001 0.000 0.220 680 G HA3 -0.027 3.934 3.960 0.001 0.000 0.220 680 G C 1.254 175.948 174.900 -0.343 0.000 1.115 680 G CA 0.824 45.449 45.100 -0.791 0.000 0.757 680 G HN 0.568 nan 8.290 nan 0.000 0.560 681 L N -0.279 120.848 121.223 -0.161 0.000 2.592 681 L HA 0.183 4.523 4.340 0.001 0.000 0.227 681 L C 1.766 178.578 176.870 -0.097 0.000 1.127 681 L CA -0.356 54.420 54.840 -0.105 0.000 0.884 681 L CB 0.186 42.211 42.059 -0.057 0.000 1.065 681 L HN 0.217 nan 8.230 nan 0.000 0.457 682 C N -1.103 118.129 119.300 -0.114 0.000 2.628 682 C HA 0.227 4.687 4.460 0.001 0.000 0.393 682 C C 0.865 175.752 174.990 -0.172 0.000 1.328 682 C CA -0.225 58.715 59.018 -0.130 0.000 2.079 682 C CB -0.017 27.651 27.740 -0.120 0.000 2.663 682 C HN 0.401 nan 8.230 nan 0.000 0.557 683 N N 1.415 120.017 118.700 -0.164 0.000 2.448 683 N HA 0.161 4.902 4.740 0.001 0.000 0.279 683 N C -0.415 175.014 175.510 -0.135 0.000 1.025 683 N CA -0.134 52.803 53.050 -0.189 0.000 0.898 683 N CB 1.058 39.383 38.487 -0.268 0.000 1.303 683 N HN 0.429 nan 8.380 nan 0.000 0.495 684 E N 0.613 120.757 120.200 -0.094 0.000 2.461 684 E HA -0.077 4.274 4.350 0.001 0.000 0.196 684 E C -0.464 176.147 176.600 0.018 0.000 1.129 684 E CA 0.567 56.933 56.400 -0.056 0.000 0.902 684 E CB -0.112 29.571 29.700 -0.027 0.000 0.963 684 E HN 0.505 nan 8.360 nan 0.000 0.503 685 D N -1.659 118.784 120.400 0.072 0.000 3.719 685 D HA -0.075 4.566 4.640 0.001 0.000 0.292 685 D C 0.664 177.186 176.300 0.369 0.000 1.511 685 D CA -0.298 53.842 54.000 0.233 0.000 0.760 685 D CB -1.400 39.538 40.800 0.230 0.000 1.333 685 D HN 0.413 nan 8.370 nan 0.000 0.684 686 H N -0.363 118.785 119.070 0.130 0.000 2.353 686 H HA -0.087 4.469 4.556 0.001 0.000 0.298 686 H C 1.727 177.302 175.328 0.411 0.000 1.103 686 H CA 0.741 56.897 56.048 0.179 0.000 1.293 686 H CB -0.118 29.774 29.762 0.218 0.000 1.372 686 H HN 0.125 nan 8.280 nan 0.000 0.501 687 L N 0.594 122.007 121.223 0.317 0.000 2.013 687 L HA -0.242 4.099 4.340 0.001 0.000 0.212 687 L C 2.997 180.073 176.870 0.343 0.000 1.073 687 L CA 1.427 56.396 54.840 0.215 0.000 0.753 687 L CB -0.655 41.486 42.059 0.135 0.000 0.890 687 L HN 0.380 nan 8.230 nan 0.000 0.432 688 S N -1.220 114.702 115.700 0.370 0.000 2.368 688 S HA -0.194 4.277 4.470 0.001 0.000 0.225 688 S C 2.019 176.864 174.600 0.408 0.000 1.030 688 S CA 1.116 59.534 58.200 0.363 0.000 0.999 688 S CB -0.277 63.151 63.200 0.379 0.000 0.844 688 S HN 0.332 nan 8.310 nan 0.000 0.459 689 Y N 0.511 120.941 120.300 0.216 0.000 2.181 689 Y HA -0.041 4.509 4.550 0.001 0.000 0.288 689 Y C 2.002 178.022 175.900 0.201 0.000 1.146 689 Y CA 1.377 59.554 58.100 0.129 0.000 1.164 689 Y CB -0.751 37.694 38.460 -0.026 0.000 0.982 689 Y HN 0.283 nan 8.280 nan 0.000 0.515 690 F N -0.218 119.952 119.950 0.367 0.000 2.069 690 F HA -0.259 4.269 4.527 0.001 0.000 0.298 690 F C 2.502 178.441 175.800 0.232 0.000 1.113 690 F CA 2.047 60.234 58.000 0.312 0.000 1.214 690 F CB -1.285 37.840 39.000 0.208 0.000 0.978 690 F HN -0.111 nan 8.300 nan 0.000 0.474 691 T N 0.586 115.375 114.554 0.392 0.000 2.680 691 T HA -0.300 4.050 4.350 0.001 0.000 0.268 691 T C 1.668 176.477 174.700 0.181 0.000 1.033 691 T CA 1.792 64.031 62.100 0.232 0.000 1.152 691 T CB -0.749 68.247 68.868 0.212 0.000 0.859 691 T HN 0.240 nan 8.240 nan 0.000 0.452 692 F N 2.016 122.024 119.950 0.097 0.000 2.031 692 F HA -0.004 4.524 4.527 0.001 0.000 0.295 692 F C 2.025 177.816 175.800 -0.013 0.000 1.133 692 F CA 0.763 58.782 58.000 0.033 0.000 1.188 692 F CB -0.877 38.166 39.000 0.071 0.000 0.974 692 F HN 0.098 nan 8.300 nan 0.000 0.473 693 I N 0.683 121.022 120.570 -0.384 0.000 2.381 693 I HA -0.303 3.868 4.170 0.001 0.000 0.255 693 I C 2.568 178.491 176.117 -0.324 0.000 1.140 693 I CA 1.411 62.467 61.300 -0.406 0.000 1.404 693 I CB -1.501 36.578 38.000 0.132 0.000 1.075 693 I HN 0.409 nan 8.210 nan 0.000 0.433 694 G N 0.605 109.132 108.800 -0.455 0.000 2.395 694 G HA2 -0.218 3.742 3.960 0.001 0.000 0.214 694 G HA3 -0.218 3.742 3.960 0.001 0.000 0.214 694 G C 1.685 176.367 174.900 -0.363 0.000 1.177 694 G CA 0.410 44.991 45.100 -0.865 0.000 0.794 694 G HN 0.171 nan 8.290 nan 0.000 0.532 695 R N 0.300 120.677 120.500 -0.205 0.000 2.113 695 R HA -0.114 4.226 4.340 0.001 0.000 0.244 695 R C 2.555 178.782 176.300 -0.123 0.000 1.142 695 R CA 1.871 57.907 56.100 -0.106 0.000 0.953 695 R CB -0.959 29.369 30.300 0.047 0.000 0.860 695 R HN 0.254 nan 8.270 nan 0.000 0.438 696 V N 0.218 120.021 119.914 -0.185 0.000 2.255 696 V HA -0.160 3.960 4.120 0.001 0.000 0.243 696 V C 2.347 178.436 176.094 -0.008 0.000 1.038 696 V CA 1.823 64.073 62.300 -0.083 0.000 1.008 696 V CB -1.061 30.561 31.823 -0.334 0.000 0.645 696 V HN 0.561 nan 8.190 nan 0.000 0.449 697 A N 0.712 123.502 122.820 -0.050 0.000 1.896 697 A HA -0.283 4.038 4.320 0.001 0.000 0.220 697 A C 2.404 179.959 177.584 -0.048 0.000 1.206 697 A CA 2.653 54.751 52.037 0.103 0.000 0.647 697 A CB -1.523 17.682 19.000 0.342 0.000 0.828 697 A HN 0.581 nan 8.150 nan 0.000 0.455 698 G N -0.850 107.715 108.800 -0.392 0.000 2.418 698 G HA2 -0.120 3.841 3.960 0.001 0.000 0.217 698 G HA3 -0.120 3.841 3.960 0.001 0.000 0.217 698 G C 1.421 176.153 174.900 -0.279 0.000 1.158 698 G CA 1.123 45.737 45.100 -0.811 0.000 0.771 698 G HN 0.500 nan 8.290 nan 0.000 0.545 699 L N 1.460 122.609 121.223 -0.124 0.000 2.129 699 L HA 0.027 4.368 4.340 0.001 0.000 0.212 699 L C 2.944 179.954 176.870 0.234 0.000 1.087 699 L CA 1.923 56.797 54.840 0.058 0.000 0.757 699 L CB -0.740 41.439 42.059 0.200 0.000 0.896 699 L HN 0.261 nan 8.230 nan 0.000 0.434 700 A N -1.684 121.176 122.820 0.067 0.000 1.897 700 A HA -0.074 4.247 4.320 0.001 0.000 0.215 700 A C 2.239 179.793 177.584 -0.050 0.000 1.181 700 A CA 1.532 53.398 52.037 -0.284 0.000 0.620 700 A CB -0.864 17.743 19.000 -0.654 0.000 0.821 700 A HN 0.244 nan 8.150 nan 0.000 0.443 701 V N -1.127 118.802 119.914 0.025 0.000 2.343 701 V HA -0.257 3.864 4.120 0.001 0.000 0.247 701 V C 2.286 178.488 176.094 0.180 0.000 1.051 701 V CA 2.135 64.516 62.300 0.135 0.000 1.036 701 V CB -0.981 30.944 31.823 0.169 0.000 0.654 701 V HN 0.623 nan 8.190 nan 0.000 0.451 702 F N 0.159 120.071 119.950 -0.062 0.000 2.161 702 F HA -0.197 4.331 4.527 0.001 0.000 0.300 702 F C 2.196 177.872 175.800 -0.206 0.000 1.089 702 F CA 1.757 59.647 58.000 -0.183 0.000 1.282 702 F CB -0.038 38.756 39.000 -0.343 0.000 1.010 702 F HN 0.268 nan 8.300 nan 0.000 0.485 703 H N -0.205 119.081 119.070 0.360 0.000 2.507 703 H HA 0.268 4.824 4.556 0.001 0.000 0.294 703 H C 1.703 177.139 175.328 0.181 0.000 1.064 703 H CA 0.426 56.645 56.048 0.286 0.000 1.138 703 H CB -0.383 29.595 29.762 0.360 0.000 1.515 703 H HN 0.362 nan 8.280 nan 0.000 0.547 704 G N 1.872 110.804 108.800 0.221 0.000 2.296 704 G HA2 -0.290 3.671 3.960 0.001 0.000 0.282 704 G HA3 -0.290 3.671 3.960 0.001 0.000 0.282 704 G C 0.281 175.284 174.900 0.171 0.000 1.014 704 G CA 0.373 45.609 45.100 0.226 0.000 0.812 704 G HN 0.184 nan 8.290 nan 0.000 0.508 705 K N -0.836 119.604 120.400 0.067 0.000 2.210 705 K HA 0.784 5.105 4.320 0.001 0.000 0.236 705 K C 0.616 177.120 176.600 -0.161 0.000 1.016 705 K CA -0.744 55.508 56.287 -0.059 0.000 0.913 705 K CB 1.370 33.732 32.500 -0.230 0.000 1.141 705 K HN 0.205 nan 8.250 nan 0.000 0.462 706 L N 1.356 122.501 121.223 -0.129 0.000 2.342 706 L HA 0.510 4.850 4.340 0.001 0.000 0.271 706 L C -0.066 176.748 176.870 -0.094 0.000 1.008 706 L CA -1.053 53.740 54.840 -0.079 0.000 0.818 706 L CB 1.206 43.271 42.059 0.010 0.000 1.296 706 L HN 0.240 nan 8.230 nan 0.000 0.427 707 L N 0.791 121.988 121.223 -0.044 0.000 2.399 707 L HA 0.359 4.699 4.340 0.001 0.000 0.265 707 L C -0.581 176.266 176.870 -0.038 0.000 1.089 707 L CA -0.359 54.499 54.840 0.030 0.000 0.802 707 L CB 1.492 43.677 42.059 0.210 0.000 1.180 707 L HN 0.542 nan 8.230 nan 0.000 0.454 708 D N 0.750 121.132 120.400 -0.031 0.000 2.349 708 D HA 0.617 5.257 4.640 0.001 0.000 0.232 708 D C -0.128 176.023 176.300 -0.249 0.000 1.071 708 D CA 0.445 54.349 54.000 -0.160 0.000 0.832 708 D CB 1.223 41.934 40.800 -0.148 0.000 1.086 708 D HN 0.718 nan 8.370 nan 0.000 0.504 709 G N 1.493 109.904 108.800 -0.648 0.000 2.347 709 G HA2 0.229 4.189 3.960 0.001 0.000 0.477 709 G HA3 0.229 4.189 3.960 0.001 0.000 0.477 709 G C -1.633 172.474 174.900 -1.321 0.000 1.349 709 G CA -1.047 43.582 45.100 -0.785 0.000 1.000 709 G HN 0.284 nan 8.290 nan 0.000 0.605 710 F N -0.866 118.670 119.950 -0.690 0.000 2.601 710 F HA 0.802 5.329 4.527 0.001 0.000 0.309 710 F C -0.262 175.022 175.800 -0.860 0.000 1.089 710 F CA -0.818 56.804 58.000 -0.631 0.000 0.940 710 F CB 2.067 40.933 39.000 -0.224 0.000 1.273 710 F HN 0.446 nan 8.300 nan 0.000 0.450 711 F N 2.323 122.207 119.950 -0.111 0.000 2.483 711 F HA 0.630 5.157 4.527 0.001 0.000 0.329 711 F C 0.514 176.206 175.800 -0.180 0.000 1.064 711 F CA -1.477 56.299 58.000 -0.374 0.000 0.986 711 F CB 0.986 39.474 39.000 -0.853 0.000 1.218 711 F HN 0.338 nan 8.300 nan 0.000 0.484 712 I N -0.483 120.108 120.570 0.035 0.000 2.892 712 I HA 0.219 4.390 4.170 0.001 0.000 0.287 712 I C 1.447 177.559 176.117 -0.007 0.000 1.205 712 I CA -0.525 60.777 61.300 0.003 0.000 1.409 712 I CB 0.592 38.578 38.000 -0.023 0.000 1.367 712 I HN 0.697 nan 8.210 nan 0.000 0.597 713 R N 3.327 123.829 120.500 0.004 0.000 2.133 713 R HA -0.154 4.187 4.340 0.001 0.000 0.245 713 R C -0.553 175.724 176.300 -0.039 0.000 1.137 713 R CA 2.565 58.702 56.100 0.062 0.000 0.947 713 R CB -1.727 28.555 30.300 -0.031 0.000 0.865 713 R HN 0.648 nan 8.270 nan 0.000 0.437 714 P HA -0.215 nan 4.420 nan 0.000 0.218 714 P C 0.871 178.069 177.300 -0.171 0.000 1.147 714 P CA 1.209 64.159 63.100 -0.250 0.000 0.827 714 P CB -0.119 31.294 31.700 -0.478 0.000 0.778 715 F N -1.048 118.705 119.950 -0.329 0.000 2.075 715 F HA -0.232 4.296 4.527 0.001 0.000 0.297 715 F C 2.052 177.592 175.800 -0.434 0.000 1.113 715 F CA 1.588 59.308 58.000 -0.466 0.000 1.218 715 F CB -0.996 37.597 39.000 -0.677 0.000 0.984 715 F HN -0.121 nan 8.300 nan 0.000 0.472 716 Y N 0.921 121.152 120.300 -0.116 0.000 2.165 716 Y HA -0.199 4.352 4.550 0.001 0.000 0.286 716 Y C 2.419 178.182 175.900 -0.228 0.000 1.155 716 Y CA 1.652 59.642 58.100 -0.184 0.000 1.164 716 Y CB -1.064 37.373 38.460 -0.037 0.000 0.978 716 Y HN 0.039 nan 8.280 nan 0.000 0.513 717 K N -0.416 119.963 120.400 -0.034 0.000 2.063 717 K HA -0.221 4.100 4.320 0.001 0.000 0.208 717 K C 2.174 178.684 176.600 -0.151 0.000 1.048 717 K CA 1.802 58.041 56.287 -0.078 0.000 0.928 717 K CB -0.408 32.043 32.500 -0.082 0.000 0.713 717 K HN 0.335 nan 8.250 nan 0.000 0.442 718 M N 0.362 119.818 119.600 -0.240 0.000 2.202 718 M HA -0.169 4.311 4.480 0.001 0.000 0.262 718 M C 2.133 178.246 176.300 -0.312 0.000 1.063 718 M CA 1.568 56.700 55.300 -0.281 0.000 1.097 718 M CB -0.040 32.340 32.600 -0.366 0.000 1.382 718 M HN 0.181 nan 8.290 nan 0.000 0.413 719 M N -0.654 118.709 119.600 -0.394 0.000 2.123 719 M HA -0.165 4.315 4.480 0.001 0.000 0.263 719 M C 1.767 177.944 176.300 -0.206 0.000 1.069 719 M CA 1.398 56.479 55.300 -0.365 0.000 1.133 719 M CB -0.413 31.920 32.600 -0.445 0.000 1.356 719 M HN 0.223 nan 8.290 nan 0.000 0.415 720 L N 0.286 121.423 121.223 -0.143 0.000 2.642 720 L HA -0.015 4.326 4.340 0.001 0.000 0.236 720 L C 1.064 177.898 176.870 -0.061 0.000 1.169 720 L CA 0.366 55.164 54.840 -0.070 0.000 0.851 720 L CB -1.289 40.749 42.059 -0.035 0.000 0.968 720 L HN 0.675 nan 8.230 nan 0.000 0.453 721 G N 0.582 109.330 108.800 -0.087 0.000 2.295 721 G HA2 -0.243 3.718 3.960 0.001 0.000 0.287 721 G HA3 -0.243 3.718 3.960 0.001 0.000 0.287 721 G C 0.130 175.002 174.900 -0.048 0.000 1.055 721 G CA 0.068 45.129 45.100 -0.065 0.000 0.922 721 G HN 0.256 nan 8.290 nan 0.000 0.503 722 K N -0.371 119.996 120.400 -0.056 0.000 2.185 722 K HA 0.483 4.803 4.320 0.001 0.000 0.240 722 K C 0.618 177.192 176.600 -0.043 0.000 0.983 722 K CA -0.726 55.536 56.287 -0.041 0.000 0.873 722 K CB 1.120 33.597 32.500 -0.039 0.000 1.118 722 K HN 0.424 nan 8.250 nan 0.000 0.441 723 Q N 0.709 120.493 119.800 -0.028 0.000 2.306 723 Q HA 0.315 4.656 4.340 0.001 0.000 0.241 723 Q C -0.232 175.753 176.000 -0.025 0.000 0.948 723 Q CA -0.568 55.224 55.803 -0.019 0.000 0.886 723 Q CB 0.900 29.636 28.738 -0.003 0.000 1.227 723 Q HN 0.295 nan 8.270 nan 0.000 0.457 724 I N 2.116 122.678 120.570 -0.013 0.000 2.336 724 I HA 0.276 4.447 4.170 0.001 0.000 0.292 724 I C 0.433 176.568 176.117 0.030 0.000 0.991 724 I CA -0.144 61.146 61.300 -0.016 0.000 1.227 724 I CB 0.830 38.831 38.000 0.001 0.000 1.366 724 I HN 0.663 nan 8.210 nan 0.000 0.466 725 T N 2.308 116.879 114.554 0.029 0.000 2.901 725 T HA 0.379 4.730 4.350 0.001 0.000 0.293 725 T C 0.849 175.617 174.700 0.113 0.000 1.084 725 T CA -0.753 61.388 62.100 0.069 0.000 1.008 725 T CB 1.702 70.601 68.868 0.053 0.000 1.170 725 T HN 0.332 nan 8.240 nan 0.000 0.509 726 L N 1.597 122.910 121.223 0.151 0.000 2.151 726 L HA -0.146 4.194 4.340 0.001 0.000 0.215 726 L C 2.066 179.111 176.870 0.291 0.000 1.084 726 L CA 2.300 57.278 54.840 0.230 0.000 0.764 726 L CB -1.336 40.843 42.059 0.200 0.000 0.891 726 L HN 0.864 nan 8.230 nan 0.000 0.435 727 N N -0.387 118.425 118.700 0.188 0.000 2.104 727 N HA -0.209 4.532 4.740 0.001 0.000 0.190 727 N C 1.444 176.918 175.510 -0.061 0.000 1.024 727 N CA 1.642 54.749 53.050 0.094 0.000 0.853 727 N CB -0.161 38.354 38.487 0.046 0.000 1.008 727 N HN 0.483 nan 8.380 nan 0.000 0.424 728 D N -0.233 120.139 120.400 -0.046 0.000 2.309 728 D HA -0.151 4.490 4.640 0.001 0.000 0.212 728 D C 1.562 177.754 176.300 -0.180 0.000 0.968 728 D CA 0.552 54.463 54.000 -0.149 0.000 0.882 728 D CB -0.088 40.584 40.800 -0.213 0.000 0.918 728 D HN 0.448 nan 8.370 nan 0.000 0.503 729 M N 0.561 120.160 119.600 -0.001 0.000 2.558 729 M HA -0.035 4.446 4.480 0.001 0.000 0.255 729 M C 1.729 178.059 176.300 0.050 0.000 1.113 729 M CA 0.929 56.323 55.300 0.158 0.000 1.097 729 M CB 0.227 33.078 32.600 0.419 0.000 1.426 729 M HN -0.190 nan 8.290 nan 0.000 0.488 730 E N -0.239 119.812 120.200 -0.247 0.000 2.110 730 E HA -0.187 4.163 4.350 0.001 0.000 0.193 730 E C 1.736 178.233 176.600 -0.172 0.000 0.988 730 E CA 1.637 57.783 56.400 -0.422 0.000 0.804 730 E CB 0.032 29.158 29.700 -0.957 0.000 0.745 730 E HN 0.749 nan 8.360 nan 0.000 0.458 731 S N -0.422 115.186 115.700 -0.153 0.000 2.387 731 S HA -0.094 4.376 4.470 0.001 0.000 0.226 731 S C 2.079 176.644 174.600 -0.058 0.000 1.026 731 S CA 1.066 59.205 58.200 -0.102 0.000 0.972 731 S CB -0.325 62.810 63.200 -0.109 0.000 0.814 731 S HN 0.131 nan 8.310 nan 0.000 0.477 732 V N 1.634 121.531 119.914 -0.029 0.000 2.323 732 V HA 0.067 4.187 4.120 0.001 0.000 0.244 732 V C 0.782 176.898 176.094 0.037 0.000 1.041 732 V CA 1.722 64.037 62.300 0.024 0.000 1.025 732 V CB -0.632 31.270 31.823 0.131 0.000 0.656 732 V HN 0.524 nan 8.190 nan 0.000 0.451 733 D N -1.549 118.899 120.400 0.080 0.000 2.527 733 D HA 0.254 4.894 4.640 0.001 0.000 0.242 733 D C 0.938 177.342 176.300 0.174 0.000 1.285 733 D CA 0.067 54.129 54.000 0.103 0.000 0.886 733 D CB 1.054 41.916 40.800 0.104 0.000 1.402 733 D HN 0.008 nan 8.370 nan 0.000 0.528 734 S N 1.527 117.300 115.700 0.121 0.000 2.422 734 S HA -0.303 4.168 4.470 0.001 0.000 0.248 734 S C 1.620 176.364 174.600 0.239 0.000 1.069 734 S CA 1.737 60.037 58.200 0.167 0.000 1.214 734 S CB -0.150 63.109 63.200 0.099 0.000 1.122 734 S HN 0.639 nan 8.310 nan 0.000 0.432 735 E N -0.424 119.871 120.200 0.159 0.000 2.147 735 E HA -0.243 4.107 4.350 0.001 0.000 0.199 735 E C 1.927 178.614 176.600 0.145 0.000 1.005 735 E CA 1.590 58.064 56.400 0.123 0.000 0.810 735 E CB -0.316 29.428 29.700 0.073 0.000 0.736 735 E HN 0.631 nan 8.360 nan 0.000 0.460 736 Y N 0.088 120.443 120.300 0.090 0.000 2.263 736 Y HA -0.251 4.299 4.550 0.001 0.000 0.292 736 Y C 2.225 178.203 175.900 0.129 0.000 1.130 736 Y CA 1.464 59.616 58.100 0.087 0.000 1.179 736 Y CB -0.189 38.321 38.460 0.084 0.000 0.998 736 Y HN 0.117 nan 8.280 nan 0.000 0.532 737 Y N 0.826 121.280 120.300 0.257 0.000 2.145 737 Y HA -0.253 4.298 4.550 0.001 0.000 0.286 737 Y C 2.102 178.079 175.900 0.129 0.000 1.145 737 Y CA 2.088 60.303 58.100 0.192 0.000 1.148 737 Y CB -0.827 37.720 38.460 0.145 0.000 0.981 737 Y HN 0.052 nan 8.280 nan 0.000 0.507 738 N N -0.005 118.653 118.700 -0.069 0.000 2.166 738 N HA -0.172 4.569 4.740 0.001 0.000 0.186 738 N C 1.975 177.423 175.510 -0.103 0.000 1.019 738 N CA 1.629 54.573 53.050 -0.176 0.000 0.856 738 N CB -0.459 38.038 38.487 0.016 0.000 0.993 738 N HN 0.369 nan 8.380 nan 0.000 0.426 739 S N 1.169 116.823 115.700 -0.077 0.000 2.368 739 S HA 0.067 4.537 4.470 0.001 0.000 0.224 739 S C 2.161 176.747 174.600 -0.023 0.000 1.029 739 S CA 0.418 58.565 58.200 -0.088 0.000 0.988 739 S CB -0.110 62.968 63.200 -0.203 0.000 0.838 739 S HN 0.224 nan 8.310 nan 0.000 0.462 740 L N 1.160 122.349 121.223 -0.057 0.000 2.017 740 L HA -0.100 4.241 4.340 0.001 0.000 0.208 740 L C 2.552 179.427 176.870 0.009 0.000 1.073 740 L CA 1.272 56.119 54.840 0.012 0.000 0.745 740 L CB -0.353 41.751 42.059 0.075 0.000 0.894 740 L HN 0.239 nan 8.230 nan 0.000 0.432 741 K N -0.913 119.413 120.400 -0.124 0.000 2.152 741 K HA -0.270 4.051 4.320 0.001 0.000 0.206 741 K C 1.958 178.541 176.600 -0.028 0.000 1.048 741 K CA 1.727 57.922 56.287 -0.153 0.000 0.933 741 K CB -0.233 32.026 32.500 -0.401 0.000 0.721 741 K HN 0.286 nan 8.250 nan 0.000 0.447 742 W N 1.275 122.491 121.300 -0.140 0.000 2.353 742 W HA -0.219 4.441 4.660 0.000 0.000 0.319 742 W C 1.513 177.989 176.519 -0.071 0.000 1.207 742 W CA 1.076 58.364 57.345 -0.095 0.000 1.291 742 W CB -0.144 29.261 29.460 -0.092 0.000 1.159 742 W HN -0.059 nan 8.180 nan 0.000 0.478 743 I N 0.784 121.544 120.570 0.317 0.000 2.181 743 I HA -0.318 3.852 4.170 0.001 0.000 0.247 743 I C 2.362 178.457 176.117 -0.036 0.000 1.081 743 I CA 1.646 63.047 61.300 0.168 0.000 1.340 743 I CB -1.954 36.141 38.000 0.158 0.000 1.036 743 I HN 0.175 nan 8.210 nan 0.000 0.417 744 L N 0.917 122.120 121.223 -0.033 0.000 2.083 744 L HA -0.148 4.193 4.340 0.001 0.000 0.209 744 L C 1.956 178.743 176.870 -0.138 0.000 1.083 744 L CA 1.844 56.648 54.840 -0.059 0.000 0.752 744 L CB -0.542 41.498 42.059 -0.032 0.000 0.899 744 L HN 0.244 nan 8.230 nan 0.000 0.433 745 E N -0.954 119.100 120.200 -0.242 0.000 2.465 745 E HA 0.167 4.517 4.350 0.001 0.000 0.195 745 E C -0.377 175.941 176.600 -0.469 0.000 1.028 745 E CA -0.141 56.079 56.400 -0.299 0.000 0.899 745 E CB 0.220 29.765 29.700 -0.259 0.000 1.032 745 E HN 0.568 nan 8.360 nan 0.000 0.468 746 N N -0.247 118.083 118.700 -0.616 0.000 2.902 746 N HA 0.105 4.845 4.740 0.001 0.000 0.268 746 N C -1.592 173.664 175.510 -0.423 0.000 1.450 746 N CA -0.807 51.813 53.050 -0.715 0.000 0.819 746 N CB 1.167 38.690 38.487 -1.606 0.000 1.540 746 N HN -0.144 nan 8.380 nan 0.000 0.545 747 D N 1.006 121.238 120.400 -0.280 0.000 2.295 747 D HA 0.202 4.843 4.640 0.001 0.000 0.248 747 D C -2.024 174.270 176.300 -0.011 0.000 1.154 747 D CA -1.629 52.306 54.000 -0.109 0.000 0.857 747 D CB 0.987 41.755 40.800 -0.054 0.000 1.117 747 D HN 0.290 nan 8.370 nan 0.000 0.468 748 P HA 0.094 nan 4.420 nan 0.000 0.248 748 P C 0.683 178.002 177.300 0.031 0.000 1.708 748 P CA -0.042 63.111 63.100 0.088 0.000 1.062 748 P CB -0.032 31.689 31.700 0.036 0.000 1.562 749 T N -2.840 111.730 114.554 0.027 0.000 3.054 749 T HA -0.072 4.279 4.350 0.001 0.000 0.259 749 T C 1.620 176.328 174.700 0.013 0.000 1.092 749 T CA 0.637 62.742 62.100 0.009 0.000 1.121 749 T CB -0.452 68.419 68.868 0.004 0.000 0.912 749 T HN 0.317 nan 8.240 nan 0.000 0.489 750 E N 1.425 121.647 120.200 0.036 0.000 2.285 750 E HA 0.054 4.405 4.350 0.001 0.000 0.194 750 E C 1.974 178.577 176.600 0.005 0.000 0.997 750 E CA 0.287 56.703 56.400 0.026 0.000 0.845 750 E CB -0.636 29.093 29.700 0.049 0.000 0.782 750 E HN 0.447 nan 8.360 nan 0.000 0.491 751 L N 0.991 122.219 121.223 0.009 0.000 2.376 751 L HA -0.022 4.318 4.340 0.001 0.000 0.219 751 L C 0.122 176.965 176.870 -0.046 0.000 1.133 751 L CA 0.602 55.421 54.840 -0.035 0.000 0.816 751 L CB -0.696 41.342 42.059 -0.035 0.000 0.933 751 L HN 0.151 nan 8.230 nan 0.000 0.449 752 D N 0.681 121.060 120.400 -0.035 0.000 3.038 752 D HA -0.174 4.467 4.640 0.001 0.000 0.229 752 D C -0.537 175.731 176.300 -0.053 0.000 1.182 752 D CA 0.475 54.453 54.000 -0.036 0.000 0.852 752 D CB -0.548 40.235 40.800 -0.029 0.000 0.932 752 D HN 0.111 nan 8.370 nan 0.000 0.406 753 L N 1.206 122.382 121.223 -0.079 0.000 2.331 753 L HA 0.720 5.061 4.340 0.001 0.000 0.268 753 L C 0.567 177.391 176.870 -0.076 0.000 1.015 753 L CA -1.096 53.674 54.840 -0.117 0.000 0.807 753 L CB 1.236 43.148 42.059 -0.244 0.000 1.293 753 L HN 0.110 nan 8.230 nan 0.000 0.451 754 M N 0.055 119.624 119.600 -0.052 0.000 2.520 754 M HA 0.297 4.778 4.480 0.001 0.000 0.283 754 M C -0.910 175.476 176.300 0.144 0.000 1.237 754 M CA -0.248 55.099 55.300 0.078 0.000 0.885 754 M CB 1.951 34.586 32.600 0.058 0.000 1.727 754 M HN 0.303 nan 8.290 nan 0.000 0.468 755 F N 2.555 122.519 119.950 0.024 0.000 2.651 755 F HA 0.215 4.744 4.527 0.002 0.000 0.367 755 F C 0.340 176.155 175.800 0.025 0.000 1.225 755 F CA -0.048 58.022 58.000 0.118 0.000 1.310 755 F CB -0.185 38.867 39.000 0.086 0.000 1.724 755 F HN 0.571 nan 8.300 nan 0.000 0.662 756 C N 0.776 120.114 119.300 0.064 0.000 3.198 756 C HA 0.552 5.012 4.460 0.001 0.000 0.438 756 C C -0.440 174.463 174.990 -0.145 0.000 0.952 756 C CA -1.759 57.208 59.018 -0.084 0.000 1.216 756 C CB -1.107 26.606 27.740 -0.045 0.000 1.594 756 C HN 0.365 nan 8.230 nan 0.000 0.598 757 I N 1.003 121.391 120.570 -0.303 0.000 3.110 757 I HA 0.713 4.883 4.170 0.001 0.000 0.314 757 I C 0.199 176.169 176.117 -0.245 0.000 1.020 757 I CA 0.005 61.150 61.300 -0.259 0.000 1.169 757 I CB 0.265 38.056 38.000 -0.348 0.000 1.437 757 I HN 0.570 nan 8.210 nan 0.000 0.595 758 D N 1.031 121.333 120.400 -0.162 0.000 2.272 758 D HA 0.542 5.182 4.640 0.001 0.000 0.247 758 D C -0.327 175.852 176.300 -0.202 0.000 0.990 758 D CA -0.288 53.602 54.000 -0.183 0.000 0.931 758 D CB 1.387 42.124 40.800 -0.104 0.000 1.195 758 D HN 0.458 nan 8.370 nan 0.000 0.477 759 E N 0.481 120.465 120.200 -0.361 0.000 2.423 759 E HA 0.515 4.866 4.350 0.001 0.000 0.269 759 E C -0.719 175.792 176.600 -0.148 0.000 0.948 759 E CA -0.695 55.496 56.400 -0.348 0.000 0.802 759 E CB 2.238 31.464 29.700 -0.790 0.000 1.339 759 E HN 0.335 nan 8.360 nan 0.000 0.445 760 E N 0.480 120.686 120.200 0.010 0.000 2.356 760 E HA 0.484 4.834 4.350 0.001 0.000 0.275 760 E C -1.300 175.331 176.600 0.052 0.000 0.904 760 E CA -0.694 55.750 56.400 0.074 0.000 0.757 760 E CB 2.594 32.310 29.700 0.027 0.000 1.232 760 E HN 0.613 nan 8.360 nan 0.000 0.442 761 N N 1.005 119.686 118.700 -0.031 0.000 4.251 761 N HA 0.155 4.895 4.740 0.001 0.000 0.189 761 N C -0.872 174.447 175.510 -0.319 0.000 1.037 761 N CA -0.755 52.068 53.050 -0.379 0.000 1.139 761 N CB 0.359 38.484 38.487 -0.604 0.000 1.614 761 N HN 0.416 nan 8.380 nan 0.000 0.802 762 F N 1.214 121.192 119.950 0.047 0.000 3.057 762 F HA -0.158 4.369 4.527 0.000 0.000 0.287 762 F C 1.740 177.563 175.800 0.039 0.000 0.834 762 F CA 1.353 59.372 58.000 0.031 0.000 1.147 762 F CB -2.100 36.908 39.000 0.014 0.000 1.245 762 F HN 1.233 nan 8.300 nan 0.000 0.509 763 G N -1.412 107.475 108.800 0.146 0.000 2.220 763 G HA2 -0.373 3.588 3.960 0.001 0.000 0.269 763 G HA3 -0.373 3.588 3.960 0.001 0.000 0.269 763 G C 0.266 175.238 174.900 0.120 0.000 0.977 763 G CA 0.583 45.750 45.100 0.112 0.000 0.634 763 G HN 0.601 nan 8.290 nan 0.000 0.539 764 Q N 0.842 120.739 119.800 0.162 0.000 2.352 764 Q HA 0.566 4.906 4.340 0.001 0.000 0.260 764 Q C 0.192 176.304 176.000 0.187 0.000 0.976 764 Q CA 0.873 56.779 55.803 0.172 0.000 0.881 764 Q CB 0.906 29.770 28.738 0.210 0.000 1.235 764 Q HN 0.229 nan 8.270 nan 0.000 0.419 765 T N 4.007 118.663 114.554 0.170 0.000 3.060 765 T HA 0.364 4.714 4.350 0.001 0.000 0.367 765 T C -1.012 173.789 174.700 0.169 0.000 1.229 765 T CA -0.603 61.578 62.100 0.135 0.000 1.104 765 T CB -0.370 68.535 68.868 0.061 0.000 1.083 765 T HN 0.419 nan 8.240 nan 0.000 0.524 766 Y N 0.749 121.062 120.300 0.022 0.000 2.453 766 Y HA 0.779 5.329 4.550 0.000 0.000 0.326 766 Y C 0.013 175.918 175.900 0.008 0.000 1.186 766 Y CA -1.912 56.200 58.100 0.019 0.000 1.200 766 Y CB 0.858 39.334 38.460 0.027 0.000 1.247 766 Y HN 0.351 nan 8.280 nan 0.000 0.482 767 Q N 1.304 121.102 119.800 -0.003 0.000 2.230 767 Q HA 0.654 4.994 4.340 0.001 0.000 0.253 767 Q C -1.701 174.256 176.000 -0.072 0.000 0.919 767 Q CA -1.000 54.746 55.803 -0.096 0.000 0.908 767 Q CB 1.919 30.642 28.738 -0.025 0.000 1.245 767 Q HN 0.829 nan 8.270 nan 0.000 0.437 768 V N 3.591 123.405 119.914 -0.166 0.000 2.638 768 V HA 0.379 4.500 4.120 0.001 0.000 0.306 768 V C -1.588 174.395 176.094 -0.185 0.000 1.052 768 V CA -0.773 61.448 62.300 -0.131 0.000 0.885 768 V CB 2.113 33.837 31.823 -0.165 0.000 0.999 768 V HN 0.845 nan 8.190 nan 0.000 0.424 769 D N 5.575 125.914 120.400 -0.102 0.000 2.308 769 D HA 0.285 4.925 4.640 0.001 0.000 0.251 769 D C 1.006 177.230 176.300 -0.128 0.000 1.127 769 D CA 0.013 53.967 54.000 -0.077 0.000 0.876 769 D CB 2.093 42.888 40.800 -0.008 0.000 1.176 769 D HN 0.513 nan 8.370 nan 0.000 0.446 770 L N 1.521 122.680 121.223 -0.107 0.000 2.478 770 L HA -0.009 4.332 4.340 0.001 0.000 0.223 770 L C 1.021 177.902 176.870 0.019 0.000 1.140 770 L CA 0.813 55.579 54.840 -0.124 0.000 0.842 770 L CB -0.320 41.661 42.059 -0.129 0.000 0.953 770 L HN 0.440 nan 8.230 nan 0.000 0.452 771 K N -2.646 117.793 120.400 0.065 0.000 2.672 771 K HA 0.399 4.719 4.320 0.001 0.000 0.295 771 K C -2.957 173.666 176.600 0.039 0.000 1.042 771 K CA -1.771 54.556 56.287 0.066 0.000 0.869 771 K CB 0.390 32.954 32.500 0.106 0.000 1.541 771 K HN -0.444 nan 8.250 nan 0.000 0.396 772 P HA -0.017 nan 4.420 nan 0.000 0.256 772 P C -0.770 176.523 177.300 -0.011 0.000 1.173 772 P CA 0.738 63.840 63.100 0.003 0.000 0.768 772 P CB -0.086 31.613 31.700 -0.003 0.000 0.758 773 N N 1.795 120.493 118.700 -0.003 0.000 2.753 773 N HA -0.186 4.555 4.740 0.001 0.000 0.251 773 N C 1.414 176.920 175.510 -0.006 0.000 1.097 773 N CA 1.198 54.243 53.050 -0.009 0.000 0.786 773 N CB -1.567 36.905 38.487 -0.024 0.000 1.137 773 N HN 0.604 nan 8.380 nan 0.000 0.566 774 G N 1.040 109.853 108.800 0.023 0.000 2.503 774 G HA2 -0.348 3.612 3.960 0.001 0.000 0.221 774 G HA3 -0.348 3.612 3.960 0.001 0.000 0.221 774 G C 1.504 176.463 174.900 0.099 0.000 1.131 774 G CA 1.812 46.969 45.100 0.096 0.000 0.756 774 G HN 0.624 nan 8.290 nan 0.000 0.572 775 S N 0.560 116.292 115.700 0.052 0.000 2.407 775 S HA -0.168 4.302 4.470 0.001 0.000 0.235 775 S C 1.926 176.544 174.600 0.029 0.000 1.036 775 S CA 1.757 59.978 58.200 0.035 0.000 1.013 775 S CB -0.169 63.041 63.200 0.017 0.000 0.820 775 S HN 0.452 nan 8.310 nan 0.000 0.476 776 E N 1.569 121.777 120.200 0.014 0.000 2.038 776 E HA 0.279 4.630 4.350 0.001 0.000 0.190 776 E C 1.012 177.609 176.600 -0.004 0.000 0.967 776 E CA -0.073 56.327 56.400 -0.001 0.000 0.816 776 E CB -0.613 29.077 29.700 -0.016 0.000 0.784 776 E HN 0.566 nan 8.360 nan 0.000 0.456 777 I N 2.465 123.013 120.570 -0.038 0.000 3.075 777 I HA -0.207 3.963 4.170 0.001 0.000 0.320 777 I C 0.925 177.050 176.117 0.012 0.000 1.211 777 I CA 0.646 61.888 61.300 -0.097 0.000 1.463 777 I CB -0.090 37.733 38.000 -0.295 0.000 1.308 777 I HN 0.010 nan 8.210 nan 0.000 0.553 778 M N 5.408 125.009 119.600 0.002 0.000 2.444 778 M HA 0.350 4.830 4.480 0.001 0.000 0.319 778 M C -0.442 175.974 176.300 0.193 0.000 1.183 778 M CA -0.835 54.512 55.300 0.079 0.000 1.032 778 M CB 1.789 34.401 32.600 0.019 0.000 1.569 778 M HN 0.230 nan 8.290 nan 0.000 0.468 779 V N 1.999 121.989 119.914 0.126 0.000 2.322 779 V HA 0.154 4.274 4.120 0.001 0.000 0.258 779 V C 0.654 176.752 176.094 0.007 0.000 1.074 779 V CA -0.329 62.005 62.300 0.055 0.000 0.909 779 V CB -0.088 31.487 31.823 -0.413 0.000 1.090 779 V HN 1.019 nan 8.190 nan 0.000 0.486 780 T N 0.670 115.260 114.554 0.060 0.000 2.891 780 T HA 0.176 4.527 4.350 0.001 0.000 0.294 780 T C 0.907 175.617 174.700 0.015 0.000 1.065 780 T CA -0.480 61.633 62.100 0.023 0.000 0.936 780 T CB 0.734 69.613 68.868 0.019 0.000 1.415 780 T HN 0.363 nan 8.240 nan 0.000 0.572 781 N N -0.072 118.631 118.700 0.005 0.000 2.276 781 N HA 0.096 4.836 4.740 0.001 0.000 0.212 781 N C 0.612 176.126 175.510 0.008 0.000 1.127 781 N CA 0.062 53.109 53.050 -0.004 0.000 0.834 781 N CB 0.115 38.591 38.487 -0.019 0.000 1.014 781 N HN 0.662 nan 8.380 nan 0.000 0.491 782 E N -0.700 119.516 120.200 0.025 0.000 2.572 782 E HA 0.070 4.420 4.350 0.001 0.000 0.220 782 E C 0.194 176.830 176.600 0.059 0.000 0.945 782 E CA 0.079 56.496 56.400 0.029 0.000 1.070 782 E CB 0.374 30.083 29.700 0.016 0.000 1.090 782 E HN 0.305 nan 8.360 nan 0.000 0.506 783 N N 0.416 119.176 118.700 0.100 0.000 2.113 783 N HA -0.068 4.672 4.740 0.001 0.000 0.223 783 N C 1.203 176.857 175.510 0.240 0.000 1.310 783 N CA 0.066 53.229 53.050 0.187 0.000 0.896 783 N CB -0.329 38.307 38.487 0.248 0.000 1.097 783 N HN -0.006 nan 8.380 nan 0.000 0.507 784 K N 0.562 121.046 120.400 0.140 0.000 2.442 784 K HA 0.006 4.327 4.320 0.001 0.000 0.199 784 K C 1.324 178.017 176.600 0.155 0.000 1.044 784 K CA 0.649 57.005 56.287 0.114 0.000 0.941 784 K CB 0.087 32.605 32.500 0.029 0.000 0.759 784 K HN -0.060 nan 8.250 nan 0.000 0.472 785 R N 1.409 121.985 120.500 0.127 0.000 2.052 785 R HA -0.056 4.285 4.340 0.001 0.000 0.226 785 R C 2.174 178.547 176.300 0.122 0.000 1.145 785 R CA 1.446 57.607 56.100 0.101 0.000 0.952 785 R CB -0.758 29.586 30.300 0.073 0.000 0.847 785 R HN 0.471 nan 8.270 nan 0.000 0.431 786 E N 0.373 120.667 120.200 0.157 0.000 2.333 786 E HA -0.192 4.159 4.350 0.001 0.000 0.198 786 E C 1.497 178.214 176.600 0.195 0.000 1.007 786 E CA 0.721 57.225 56.400 0.173 0.000 0.845 786 E CB 0.037 29.861 29.700 0.206 0.000 0.766 786 E HN 0.290 nan 8.360 nan 0.000 0.507 787 Y N 1.083 121.400 120.300 0.029 0.000 2.138 787 Y HA -0.076 4.475 4.550 0.000 0.000 0.286 787 Y C 2.133 177.950 175.900 -0.137 0.000 1.115 787 Y CA 1.658 59.622 58.100 -0.227 0.000 1.105 787 Y CB -0.488 37.731 38.460 -0.402 0.000 1.004 787 Y HN -0.085 nan 8.280 nan 0.000 0.494 788 I N 0.723 121.255 120.570 -0.062 0.000 2.300 788 I HA -0.369 3.801 4.170 0.001 0.000 0.252 788 I C 1.674 177.726 176.117 -0.107 0.000 1.119 788 I CA 1.653 62.886 61.300 -0.111 0.000 1.384 788 I CB -0.572 37.464 38.000 0.060 0.000 1.062 788 I HN 0.333 nan 8.210 nan 0.000 0.426 789 D N 1.143 121.514 120.400 -0.049 0.000 2.077 789 D HA -0.112 4.528 4.640 0.001 0.000 0.196 789 D C 2.367 178.643 176.300 -0.041 0.000 0.986 789 D CA 1.190 55.186 54.000 -0.007 0.000 0.829 789 D CB -0.407 40.412 40.800 0.033 0.000 0.983 789 D HN 0.268 nan 8.370 nan 0.000 0.453 790 L N 0.341 121.509 121.223 -0.092 0.000 2.129 790 L HA -0.163 4.177 4.340 0.001 0.000 0.212 790 L C 2.429 179.225 176.870 -0.122 0.000 1.087 790 L CA 0.564 55.350 54.840 -0.090 0.000 0.757 790 L CB -0.446 41.550 42.059 -0.105 0.000 0.896 790 L HN -0.017 nan 8.230 nan 0.000 0.434 791 V N -0.088 119.668 119.914 -0.264 0.000 2.244 791 V HA -0.263 3.858 4.120 0.001 0.000 0.244 791 V C 2.348 178.450 176.094 0.013 0.000 1.042 791 V CA 1.676 63.884 62.300 -0.152 0.000 1.006 791 V CB -0.199 31.473 31.823 -0.253 0.000 0.641 791 V HN 0.173 nan 8.190 nan 0.000 0.446 792 I N -0.372 120.207 120.570 0.015 0.000 2.163 792 I HA -0.253 3.918 4.170 0.001 0.000 0.243 792 I C 2.601 178.762 176.117 0.074 0.000 1.085 792 I CA 1.503 62.850 61.300 0.079 0.000 1.347 792 I CB -0.691 37.409 38.000 0.166 0.000 1.044 792 I HN 0.295 nan 8.210 nan 0.000 0.408 793 Q N -0.850 118.996 119.800 0.077 0.000 2.082 793 Q HA -0.303 4.037 4.340 0.001 0.000 0.211 793 Q C 2.169 178.223 176.000 0.091 0.000 1.002 793 Q CA 2.481 58.334 55.803 0.083 0.000 0.868 793 Q CB -0.709 28.074 28.738 0.075 0.000 0.931 793 Q HN 0.677 nan 8.270 nan 0.000 0.414 794 W N 1.123 122.355 121.300 -0.114 0.000 2.379 794 W HA -0.113 4.548 4.660 0.002 0.000 0.307 794 W C 2.141 178.529 176.519 -0.219 0.000 1.200 794 W CA 1.109 58.371 57.345 -0.139 0.000 1.297 794 W CB -0.153 29.222 29.460 -0.142 0.000 1.140 794 W HN 0.023 nan 8.180 nan 0.000 0.507 795 R N -0.350 119.936 120.500 -0.357 0.000 2.127 795 R HA -0.146 4.195 4.340 0.001 0.000 0.238 795 R C 1.331 177.056 176.300 -0.959 0.000 1.134 795 R CA 1.416 56.984 56.100 -0.887 0.000 0.975 795 R CB -1.114 28.510 30.300 -1.127 0.000 0.865 795 R HN 0.327 nan 8.270 nan 0.000 0.447 796 F N -2.485 117.356 119.950 -0.182 0.000 2.798 796 F HA 0.187 4.715 4.527 0.001 0.000 0.328 796 F C 1.478 177.198 175.800 -0.134 0.000 1.098 796 F CA -0.283 57.625 58.000 -0.152 0.000 1.172 796 F CB 0.393 39.332 39.000 -0.101 0.000 1.072 796 F HN -0.318 nan 8.300 nan 0.000 0.555 797 V N -1.008 118.915 119.914 0.014 0.000 3.668 797 V HA -0.000 4.121 4.120 0.001 0.000 0.199 797 V C 1.798 177.867 176.094 -0.040 0.000 1.241 797 V CA 0.367 62.663 62.300 -0.006 0.000 1.308 797 V CB -0.645 31.193 31.823 0.026 0.000 1.411 797 V HN -0.008 nan 8.190 nan 0.000 0.535 798 N N 1.960 120.654 118.700 -0.010 0.000 2.204 798 N HA -0.302 4.439 4.740 0.001 0.000 0.192 798 N C 1.552 177.048 175.510 -0.022 0.000 0.938 798 N CA 2.454 55.510 53.050 0.010 0.000 0.904 798 N CB -0.461 38.077 38.487 0.085 0.000 1.069 798 N HN 0.488 nan 8.380 nan 0.000 0.711 799 R N 0.667 121.124 120.500 -0.072 0.000 2.325 799 R HA 0.111 4.451 4.340 0.001 0.000 0.214 799 R C 1.067 177.305 176.300 -0.103 0.000 0.961 799 R CA 0.294 56.346 56.100 -0.080 0.000 1.086 799 R CB 0.171 30.398 30.300 -0.122 0.000 1.037 799 R HN 0.326 nan 8.270 nan 0.000 0.493 800 V N -4.420 115.421 119.914 -0.122 0.000 3.355 800 V HA 0.206 4.326 4.120 0.001 0.000 0.330 800 V C 0.895 176.877 176.094 -0.187 0.000 1.479 800 V CA -0.419 61.777 62.300 -0.173 0.000 1.150 800 V CB 0.916 32.628 31.823 -0.185 0.000 1.044 800 V HN -0.088 nan 8.190 nan 0.000 0.501 801 Q N 1.598 121.321 119.800 -0.129 0.000 2.172 801 Q HA 0.020 4.360 4.340 0.001 0.000 0.200 801 Q C 1.864 177.784 176.000 -0.133 0.000 0.964 801 Q CA 1.750 57.482 55.803 -0.118 0.000 0.855 801 Q CB -0.103 28.594 28.738 -0.069 0.000 0.918 801 Q HN 0.756 nan 8.270 nan 0.000 0.444 802 K N 0.492 120.812 120.400 -0.133 0.000 2.002 802 K HA -0.174 4.147 4.320 0.001 0.000 0.209 802 K C 2.190 178.652 176.600 -0.231 0.000 1.048 802 K CA 1.316 57.525 56.287 -0.131 0.000 0.930 802 K CB -0.052 32.395 32.500 -0.088 0.000 0.714 802 K HN 0.104 nan 8.250 nan 0.000 0.438 803 Q N 0.868 120.410 119.800 -0.431 0.000 1.975 803 Q HA -0.167 4.174 4.340 0.001 0.000 0.205 803 Q C 2.074 177.762 176.000 -0.521 0.000 0.990 803 Q CA 1.698 57.002 55.803 -0.832 0.000 0.845 803 Q CB -0.384 27.366 28.738 -1.646 0.000 0.913 803 Q HN 0.178 nan 8.270 nan 0.000 0.420 804 M N 0.607 119.963 119.600 -0.407 0.000 2.331 804 M HA -0.199 4.282 4.480 0.001 0.000 0.260 804 M C 0.913 177.150 176.300 -0.105 0.000 1.072 804 M CA 1.567 56.722 55.300 -0.240 0.000 1.065 804 M CB -0.218 32.224 32.600 -0.263 0.000 1.392 804 M HN 0.143 nan 8.290 nan 0.000 0.427 805 N N -0.327 118.315 118.700 -0.096 0.000 2.220 805 N HA 0.175 4.916 4.740 0.001 0.000 0.182 805 N C 1.604 177.144 175.510 0.049 0.000 1.023 805 N CA 1.515 54.549 53.050 -0.026 0.000 0.856 805 N CB -0.382 38.079 38.487 -0.044 0.000 0.997 805 N HN 0.439 nan 8.380 nan 0.000 0.429 806 A N -0.009 122.834 122.820 0.038 0.000 1.940 806 A HA -0.152 4.168 4.320 0.001 0.000 0.219 806 A C 2.103 179.813 177.584 0.210 0.000 1.176 806 A CA 1.101 53.206 52.037 0.113 0.000 0.631 806 A CB -1.068 18.003 19.000 0.119 0.000 0.814 806 A HN 0.445 nan 8.150 nan 0.000 0.446 807 F N 0.405 120.415 119.950 0.099 0.000 2.102 807 F HA -0.146 4.381 4.527 0.001 0.000 0.298 807 F C 1.890 177.783 175.800 0.155 0.000 1.105 807 F CA 1.828 59.946 58.000 0.197 0.000 1.239 807 F CB -0.137 38.993 39.000 0.218 0.000 0.991 807 F HN 0.145 nan 8.300 nan 0.000 0.474 808 L N 0.273 121.735 121.223 0.398 0.000 2.141 808 L HA -0.186 4.155 4.340 0.001 0.000 0.209 808 L C 2.492 179.464 176.870 0.169 0.000 1.094 808 L CA 1.613 56.607 54.840 0.257 0.000 0.763 808 L CB -0.900 41.221 42.059 0.103 0.000 0.908 808 L HN 0.299 nan 8.230 nan 0.000 0.437 809 E N 0.647 120.922 120.200 0.125 0.000 2.070 809 E HA -0.243 4.108 4.350 0.001 0.000 0.197 809 E C 2.122 178.775 176.600 0.087 0.000 1.004 809 E CA 1.632 58.089 56.400 0.095 0.000 0.805 809 E CB -0.201 29.548 29.700 0.083 0.000 0.744 809 E HN 0.460 nan 8.360 nan 0.000 0.451 810 G N -0.029 108.811 108.800 0.066 0.000 2.403 810 G HA2 -0.254 3.706 3.960 0.001 0.000 0.216 810 G HA3 -0.254 3.706 3.960 0.001 0.000 0.216 810 G C 1.389 176.293 174.900 0.007 0.000 1.154 810 G CA 0.429 45.541 45.100 0.020 0.000 0.784 810 G HN 0.411 nan 8.290 nan 0.000 0.538 811 F N 2.592 122.454 119.950 -0.148 0.000 2.216 811 F HA -0.104 4.424 4.527 0.001 0.000 0.300 811 F C 2.681 178.482 175.800 0.002 0.000 1.085 811 F CA 1.871 59.812 58.000 -0.098 0.000 1.326 811 F CB 0.107 39.075 39.000 -0.053 0.000 1.027 811 F HN 0.187 nan 8.300 nan 0.000 0.497 812 T N -3.139 111.595 114.554 0.300 0.000 3.219 812 T HA 0.093 4.444 4.350 0.001 0.000 0.249 812 T C 0.909 175.661 174.700 0.086 0.000 1.099 812 T CA 0.096 62.330 62.100 0.223 0.000 0.988 812 T CB -0.328 68.653 68.868 0.188 0.000 0.999 812 T HN 0.411 nan 8.240 nan 0.000 0.550 813 E N 0.248 120.460 120.200 0.020 0.000 2.451 813 E HA 0.338 4.689 4.350 0.001 0.000 0.194 813 E C 0.765 177.316 176.600 -0.083 0.000 1.027 813 E CA 0.031 56.417 56.400 -0.023 0.000 0.914 813 E CB 0.252 29.934 29.700 -0.030 0.000 1.054 813 E HN 0.542 nan 8.360 nan 0.000 0.461 814 L N -0.888 120.281 121.223 -0.090 0.000 3.048 814 L HA 0.229 4.569 4.340 0.001 0.000 0.278 814 L C -0.348 176.530 176.870 0.013 0.000 1.057 814 L CA 0.137 54.886 54.840 -0.152 0.000 1.073 814 L CB 0.695 42.594 42.059 -0.267 0.000 1.802 814 L HN -0.020 nan 8.230 nan 0.000 0.562 815 L N -0.433 120.818 121.223 0.045 0.000 2.409 815 L HA 0.547 4.888 4.340 0.001 0.000 0.262 815 L C -2.696 174.293 176.870 0.200 0.000 0.992 815 L CA -1.374 53.563 54.840 0.161 0.000 0.817 815 L CB 1.177 43.372 42.059 0.228 0.000 1.350 815 L HN -0.308 nan 8.230 nan 0.000 0.411 816 P HA 0.185 nan 4.420 nan 0.000 0.276 816 P C 0.773 178.197 177.300 0.207 0.000 1.264 816 P CA -0.327 62.866 63.100 0.155 0.000 0.769 816 P CB 0.672 32.438 31.700 0.111 0.000 0.840 817 I N 3.559 124.244 120.570 0.192 0.000 2.381 817 I HA -0.290 3.880 4.170 0.001 0.000 0.255 817 I C 0.700 176.896 176.117 0.133 0.000 1.140 817 I CA 1.986 63.391 61.300 0.174 0.000 1.404 817 I CB -0.547 37.515 38.000 0.103 0.000 1.075 817 I HN 0.251 nan 8.210 nan 0.000 0.433 818 D N -0.354 120.116 120.400 0.118 0.000 2.234 818 D HA -0.111 4.530 4.640 0.001 0.000 0.205 818 D C 1.953 178.329 176.300 0.126 0.000 0.962 818 D CA 0.637 54.695 54.000 0.097 0.000 0.855 818 D CB -0.287 40.556 40.800 0.072 0.000 0.951 818 D HN 0.323 nan 8.370 nan 0.000 0.500 819 L N 0.702 122.029 121.223 0.174 0.000 2.349 819 L HA -0.008 4.333 4.340 0.001 0.000 0.220 819 L C 1.475 178.529 176.870 0.307 0.000 1.130 819 L CA 1.239 56.218 54.840 0.231 0.000 0.791 819 L CB -0.224 42.002 42.059 0.278 0.000 0.918 819 L HN 0.171 nan 8.230 nan 0.000 0.444 820 I N -1.814 118.918 120.570 0.270 0.000 3.228 820 I HA -0.113 4.058 4.170 0.001 0.000 0.279 820 I C 1.891 178.149 176.117 0.236 0.000 1.221 820 I CA 0.267 61.731 61.300 0.273 0.000 1.458 820 I CB -0.107 38.022 38.000 0.215 0.000 1.105 820 I HN 0.190 nan 8.210 nan 0.000 0.445 821 K N 1.045 121.522 120.400 0.129 0.000 2.360 821 K HA -0.163 4.157 4.320 0.001 0.000 0.201 821 K C 1.998 178.632 176.600 0.057 0.000 1.046 821 K CA 1.365 57.701 56.287 0.081 0.000 0.945 821 K CB -0.248 32.281 32.500 0.048 0.000 0.750 821 K HN 0.505 nan 8.250 nan 0.000 0.464 822 I N 0.411 120.982 120.570 0.003 0.000 2.454 822 I HA -0.154 4.017 4.170 0.001 0.000 0.254 822 I C -0.049 175.964 176.117 -0.174 0.000 1.156 822 I CA 0.832 62.054 61.300 -0.132 0.000 1.433 822 I CB 0.153 37.992 38.000 -0.269 0.000 1.082 822 I HN -0.150 nan 8.210 nan 0.000 0.432 823 F N 1.897 121.847 119.950 0.001 0.000 2.378 823 F HA 0.292 4.819 4.527 0.001 0.000 0.325 823 F C 0.390 176.185 175.800 -0.008 0.000 1.097 823 F CA -0.945 57.063 58.000 0.013 0.000 1.079 823 F CB 0.515 39.510 39.000 -0.007 0.000 1.240 823 F HN 0.106 nan 8.300 nan 0.000 0.519 824 D N -0.921 119.597 120.400 0.196 0.000 2.326 824 D HA 0.181 4.822 4.640 0.001 0.000 0.248 824 D C 0.864 177.166 176.300 0.003 0.000 1.001 824 D CA -0.632 53.411 54.000 0.072 0.000 0.961 824 D CB 0.647 41.471 40.800 0.041 0.000 1.183 824 D HN 0.560 nan 8.370 nan 0.000 0.502 825 E N 1.581 121.761 120.200 -0.033 0.000 2.149 825 E HA -0.413 3.938 4.350 0.001 0.000 0.215 825 E C 1.020 177.473 176.600 -0.246 0.000 1.055 825 E CA 1.539 57.879 56.400 -0.100 0.000 0.870 825 E CB -0.818 28.864 29.700 -0.030 0.000 0.764 825 E HN 0.574 nan 8.360 nan 0.000 0.463 826 N N 1.145 119.741 118.700 -0.173 0.000 2.120 826 N HA -0.124 4.617 4.740 0.001 0.000 0.188 826 N C 1.846 177.194 175.510 -0.269 0.000 1.024 826 N CA 1.433 54.351 53.050 -0.219 0.000 0.852 826 N CB -0.092 38.304 38.487 -0.151 0.000 1.003 826 N HN 0.448 nan 8.380 nan 0.000 0.424 827 E N 0.573 120.670 120.200 -0.172 0.000 2.072 827 E HA -0.118 4.232 4.350 0.001 0.000 0.190 827 E C 1.922 178.382 176.600 -0.234 0.000 0.982 827 E CA 0.378 56.681 56.400 -0.161 0.000 0.803 827 E CB -0.083 29.778 29.700 0.268 0.000 0.755 827 E HN 0.103 nan 8.360 nan 0.000 0.453 828 L N 1.861 122.942 121.223 -0.236 0.000 2.131 828 L HA -0.185 4.155 4.340 0.001 0.000 0.210 828 L C 2.222 178.861 176.870 -0.384 0.000 1.092 828 L CA 1.862 56.507 54.840 -0.326 0.000 0.759 828 L CB -0.347 41.589 42.059 -0.204 0.000 0.903 828 L HN 0.098 nan 8.230 nan 0.000 0.435 829 E N -0.610 119.229 120.200 -0.602 0.000 2.047 829 E HA -0.244 4.106 4.350 0.001 0.000 0.191 829 E C 2.317 178.799 176.600 -0.197 0.000 0.987 829 E CA 1.379 57.422 56.400 -0.594 0.000 0.799 829 E CB -0.360 28.922 29.700 -0.696 0.000 0.752 829 E HN 0.567 nan 8.360 nan 0.000 0.449 830 L N 0.710 121.771 121.223 -0.269 0.000 2.131 830 L HA -0.149 4.192 4.340 0.001 0.000 0.210 830 L C 2.527 179.302 176.870 -0.159 0.000 1.092 830 L CA 0.724 55.416 54.840 -0.246 0.000 0.759 830 L CB -0.156 41.594 42.059 -0.514 0.000 0.903 830 L HN 0.313 nan 8.230 nan 0.000 0.435 831 L N 0.090 121.212 121.223 -0.169 0.000 2.017 831 L HA -0.233 4.108 4.340 0.001 0.000 0.208 831 L C 2.326 179.190 176.870 -0.010 0.000 1.073 831 L CA 2.498 57.281 54.840 -0.095 0.000 0.745 831 L CB -0.211 41.636 42.059 -0.352 0.000 0.894 831 L HN 0.447 nan 8.230 nan 0.000 0.432 832 M N -4.632 114.983 119.600 0.025 0.000 2.491 832 M HA 0.164 4.645 4.480 0.001 0.000 0.259 832 M C 1.556 177.921 176.300 0.108 0.000 1.163 832 M CA 0.508 55.874 55.300 0.109 0.000 1.109 832 M CB -0.103 32.636 32.600 0.232 0.000 1.353 832 M HN 0.074 nan 8.290 nan 0.000 0.500 833 C N 2.136 121.507 119.300 0.118 0.000 3.038 833 C HA 0.617 5.078 4.460 0.001 0.000 0.279 833 C C 1.479 176.530 174.990 0.101 0.000 1.276 833 C CA 0.158 59.197 59.018 0.035 0.000 1.697 833 C CB -1.005 26.779 27.740 0.074 0.000 2.032 833 C HN 0.923 nan 8.230 nan 0.000 0.636 834 G N 1.128 109.997 108.800 0.114 0.000 2.804 834 G HA2 -0.202 3.759 3.960 0.001 0.000 0.230 834 G HA3 -0.202 3.759 3.960 0.001 0.000 0.230 834 G C 0.237 175.252 174.900 0.192 0.000 1.386 834 G CA 0.039 45.207 45.100 0.113 0.000 0.875 834 G HN 0.310 nan 8.290 nan 0.000 0.557 835 L N 0.983 122.271 121.223 0.109 0.000 2.127 835 L HA 0.478 4.818 4.340 0.001 0.000 0.203 835 L C 2.109 179.059 176.870 0.133 0.000 1.080 835 L CA 2.611 57.480 54.840 0.048 0.000 0.768 835 L CB -0.755 41.306 42.059 0.004 0.000 0.924 835 L HN 2.786 nan 8.230 nan 0.000 0.444 836 G N 1.270 110.212 108.800 0.236 0.000 2.623 836 G HA2 -0.256 3.705 3.960 0.001 0.000 0.281 836 G HA3 -0.256 3.705 3.960 0.001 0.000 0.281 836 G C -0.368 174.628 174.900 0.161 0.000 1.087 836 G CA 0.283 45.564 45.100 0.301 0.000 1.244 836 G HN 0.510 nan 8.290 nan 0.000 0.544 837 D N 0.040 120.518 120.400 0.130 0.000 2.390 837 D HA 0.361 5.002 4.640 0.001 0.000 0.249 837 D C 1.113 177.501 176.300 0.148 0.000 1.144 837 D CA -0.162 53.909 54.000 0.118 0.000 0.880 837 D CB 1.170 42.033 40.800 0.105 0.000 1.182 837 D HN 0.362 nan 8.370 nan 0.000 0.451 838 V N 4.616 124.628 119.914 0.164 0.000 2.529 838 V HA -0.030 4.091 4.120 0.001 0.000 0.292 838 V C 0.838 177.097 176.094 0.275 0.000 1.028 838 V CA -0.203 62.230 62.300 0.220 0.000 1.074 838 V CB 0.819 32.764 31.823 0.203 0.000 0.958 838 V HN 0.594 nan 8.190 nan 0.000 0.481 839 D N 4.909 125.480 120.400 0.286 0.000 2.346 839 D HA 0.012 4.653 4.640 0.001 0.000 0.267 839 D C 1.103 177.562 176.300 0.265 0.000 1.320 839 D CA -0.026 54.117 54.000 0.238 0.000 0.951 839 D CB 1.416 42.344 40.800 0.214 0.000 1.079 839 D HN 0.333 nan 8.370 nan 0.000 0.509 840 V N 4.378 124.430 119.914 0.230 0.000 2.469 840 V HA -0.215 3.905 4.120 0.001 0.000 0.251 840 V C 2.342 178.446 176.094 0.017 0.000 1.064 840 V CA 1.260 63.679 62.300 0.199 0.000 1.066 840 V CB -0.636 31.261 31.823 0.124 0.000 0.667 840 V HN 0.638 nan 8.190 nan 0.000 0.461 841 N N 0.182 118.889 118.700 0.012 0.000 2.250 841 N HA -0.164 4.576 4.740 0.001 0.000 0.181 841 N C 1.720 177.213 175.510 -0.027 0.000 1.017 841 N CA 1.421 54.434 53.050 -0.063 0.000 0.866 841 N CB 0.025 38.496 38.487 -0.027 0.000 0.985 841 N HN 0.591 nan 8.380 nan 0.000 0.429 842 D N -0.020 120.437 120.400 0.096 0.000 2.178 842 D HA -0.162 4.479 4.640 0.001 0.000 0.202 842 D C 1.794 178.236 176.300 0.237 0.000 0.974 842 D CA 0.731 54.867 54.000 0.226 0.000 0.841 842 D CB -0.109 40.864 40.800 0.288 0.000 0.953 842 D HN 0.267 nan 8.370 nan 0.000 0.478 843 W N 1.898 122.996 121.300 -0.336 0.000 2.408 843 W HA 0.039 4.700 4.660 0.001 0.000 0.311 843 W C 2.318 178.552 176.519 -0.475 0.000 1.190 843 W CA 1.158 58.003 57.345 -0.833 0.000 1.321 843 W CB -0.951 27.861 29.460 -1.080 0.000 1.143 843 W HN -0.079 nan 8.180 nan 0.000 0.501 844 R N 0.434 120.539 120.500 -0.659 0.000 2.105 844 R HA -0.211 4.129 4.340 0.001 0.000 0.239 844 R C 2.185 178.209 176.300 -0.461 0.000 1.135 844 R CA 2.002 57.327 56.100 -1.292 0.000 0.967 844 R CB -0.584 28.632 30.300 -1.806 0.000 0.861 844 R HN 0.283 nan 8.270 nan 0.000 0.442 845 Q N -1.109 118.514 119.800 -0.295 0.000 2.437 845 Q HA -0.127 4.214 4.340 0.001 0.000 0.210 845 Q C 0.063 175.841 176.000 -0.370 0.000 0.972 845 Q CA 1.085 56.729 55.803 -0.265 0.000 0.903 845 Q CB 0.237 28.831 28.738 -0.240 0.000 0.967 845 Q HN 0.526 nan 8.270 nan 0.000 0.486 846 H N -1.672 117.436 119.070 0.064 0.000 2.549 846 H HA 0.301 4.858 4.556 0.001 0.000 0.253 846 H C -0.813 174.644 175.328 0.215 0.000 1.170 846 H CA -0.283 55.855 56.048 0.150 0.000 0.943 846 H CB 0.931 30.826 29.762 0.221 0.000 1.849 846 H HN -0.076 nan 8.280 nan 0.000 0.603 847 S N 1.306 117.138 115.700 0.220 0.000 2.593 847 S HA 0.580 5.051 4.470 0.001 0.000 0.297 847 S C -0.032 174.463 174.600 -0.175 0.000 1.112 847 S CA -0.891 57.437 58.200 0.213 0.000 1.043 847 S CB 1.500 64.953 63.200 0.422 0.000 1.054 847 S HN 0.433 nan 8.310 nan 0.000 0.516 848 I N -0.568 119.852 120.570 -0.251 0.000 2.608 848 I HA 0.673 4.843 4.170 0.001 0.000 0.295 848 I C -1.883 173.966 176.117 -0.447 0.000 1.049 848 I CA -1.064 60.042 61.300 -0.324 0.000 1.063 848 I CB 1.376 39.342 38.000 -0.057 0.000 1.248 848 I HN 0.487 nan 8.210 nan 0.000 0.424 849 Y N 4.002 124.387 120.300 0.140 0.000 2.335 849 Y HA 0.639 5.189 4.550 0.001 0.000 0.338 849 Y C -0.141 175.800 175.900 0.068 0.000 0.977 849 Y CA -0.698 57.477 58.100 0.124 0.000 1.114 849 Y CB 1.636 40.200 38.460 0.174 0.000 1.182 849 Y HN 0.466 nan 8.280 nan 0.000 0.463 850 K N 0.930 121.408 120.400 0.131 0.000 2.295 850 K HA 0.383 4.704 4.320 0.001 0.000 0.239 850 K C -0.487 176.085 176.600 -0.046 0.000 0.991 850 K CA -1.363 54.944 56.287 0.034 0.000 0.845 850 K CB 1.434 33.925 32.500 -0.016 0.000 1.197 850 K HN 0.665 nan 8.250 nan 0.000 0.441 851 N N 0.161 118.827 118.700 -0.057 0.000 2.726 851 N HA -0.228 4.512 4.740 0.001 0.000 0.253 851 N C 0.266 175.676 175.510 -0.167 0.000 1.059 851 N CA 1.431 54.416 53.050 -0.108 0.000 0.701 851 N CB -1.163 37.240 38.487 -0.139 0.000 0.899 851 N HN 0.950 nan 8.380 nan 0.000 0.548 852 G N -1.528 107.234 108.800 -0.063 0.000 2.399 852 G HA2 -0.320 3.640 3.960 0.001 0.000 0.216 852 G HA3 -0.320 3.640 3.960 0.001 0.000 0.216 852 G C -0.061 174.910 174.900 0.118 0.000 1.096 852 G CA 0.149 45.243 45.100 -0.009 0.000 0.650 852 G HN 0.380 nan 8.290 nan 0.000 0.512 853 Y N 1.728 121.977 120.300 -0.085 0.000 2.314 853 Y HA 0.577 5.128 4.550 0.001 0.000 0.334 853 Y C 1.310 177.186 175.900 -0.039 0.000 1.266 853 Y CA -1.089 56.888 58.100 -0.206 0.000 1.391 853 Y CB 0.639 38.959 38.460 -0.233 0.000 1.306 853 Y HN 1.016 nan 8.280 nan 0.000 0.558 854 C N -0.384 118.903 119.300 -0.022 0.000 3.284 854 C HA 0.414 4.875 4.460 0.001 0.000 0.348 854 C C -2.051 172.722 174.990 -0.361 0.000 1.448 854 C CA -1.808 57.192 59.018 -0.031 0.000 1.223 854 C CB 1.465 29.259 27.740 0.090 0.000 1.588 854 C HN 0.458 nan 8.230 nan 0.000 0.451 855 P HA -0.134 nan 4.420 nan 0.000 0.218 855 P C 0.842 178.080 177.300 -0.103 0.000 1.152 855 P CA 2.162 65.198 63.100 -0.108 0.000 0.857 855 P CB -0.060 31.672 31.700 0.054 0.000 0.787 856 N N -3.875 114.783 118.700 -0.070 0.000 2.220 856 N HA -0.037 4.704 4.740 0.001 0.000 0.195 856 N C 0.553 176.019 175.510 -0.074 0.000 1.123 856 N CA -0.236 52.779 53.050 -0.059 0.000 0.874 856 N CB -0.081 38.379 38.487 -0.044 0.000 0.995 856 N HN 0.203 nan 8.380 nan 0.000 0.498 857 H N 3.207 122.161 119.070 -0.193 0.000 3.064 857 H HA -0.005 4.551 4.556 0.001 0.000 0.329 857 H C -1.645 173.483 175.328 -0.333 0.000 1.020 857 H CA -0.657 55.258 56.048 -0.223 0.000 1.402 857 H CB 1.191 30.831 29.762 -0.204 0.000 1.379 857 H HN -0.006 nan 8.280 nan 0.000 0.594 858 P HA -0.239 nan 4.420 nan 0.000 0.217 858 P C 1.731 178.573 177.300 -0.764 0.000 1.162 858 P CA 1.667 64.387 63.100 -0.633 0.000 0.901 858 P CB 0.223 31.489 31.700 -0.724 0.000 0.793 859 V N -0.596 119.157 119.914 -0.268 0.000 2.307 859 V HA -0.207 3.914 4.120 0.001 0.000 0.245 859 V C 2.359 178.321 176.094 -0.219 0.000 1.045 859 V CA 1.534 63.696 62.300 -0.229 0.000 1.024 859 V CB -1.145 30.486 31.823 -0.320 0.000 0.651 859 V HN 0.035 nan 8.190 nan 0.000 0.449 860 I N 0.222 120.547 120.570 -0.408 0.000 2.286 860 I HA -0.226 3.945 4.170 0.001 0.000 0.248 860 I C 2.514 178.671 176.117 0.067 0.000 1.115 860 I CA 1.640 62.768 61.300 -0.287 0.000 1.392 860 I CB -1.180 36.526 38.000 -0.490 0.000 1.065 860 I HN 0.402 nan 8.210 nan 0.000 0.418 861 Q N 0.053 119.859 119.800 0.010 0.000 2.167 861 Q HA -0.182 4.158 4.340 0.001 0.000 0.202 861 Q C 2.012 178.195 176.000 0.304 0.000 0.970 861 Q CA 1.546 57.426 55.803 0.128 0.000 0.855 861 Q CB -0.161 28.554 28.738 -0.039 0.000 0.911 861 Q HN 0.408 nan 8.270 nan 0.000 0.438 862 W N -0.515 120.908 121.300 0.205 0.000 2.441 862 W HA -0.033 4.627 4.660 0.001 0.000 0.302 862 W C 1.982 178.630 176.519 0.215 0.000 1.191 862 W CA 0.311 57.842 57.345 0.310 0.000 1.327 862 W CB -1.497 28.150 29.460 0.312 0.000 1.128 862 W HN 0.221 nan 8.180 nan 0.000 0.522 863 F N -0.083 119.971 119.950 0.172 0.000 2.045 863 F HA -0.301 4.226 4.527 0.001 0.000 0.297 863 F C 2.056 177.770 175.800 -0.143 0.000 1.114 863 F CA 2.192 60.126 58.000 -0.110 0.000 1.207 863 F CB -1.152 37.626 39.000 -0.371 0.000 0.964 863 F HN -0.163 nan 8.300 nan 0.000 0.486 864 W N 0.709 121.994 121.300 -0.024 0.000 2.363 864 W HA -0.130 4.531 4.660 0.001 0.000 0.296 864 W C 2.504 178.954 176.519 -0.115 0.000 1.212 864 W CA 1.185 58.412 57.345 -0.196 0.000 1.260 864 W CB -0.385 29.047 29.460 -0.046 0.000 1.131 864 W HN -0.071 nan 8.180 nan 0.000 0.530 865 K N -0.064 120.499 120.400 0.272 0.000 2.148 865 K HA -0.072 4.249 4.320 0.001 0.000 0.204 865 K C 2.216 178.962 176.600 0.245 0.000 1.050 865 K CA 1.112 57.543 56.287 0.241 0.000 0.942 865 K CB -0.366 32.293 32.500 0.265 0.000 0.724 865 K HN 0.125 nan 8.250 nan 0.000 0.446 866 A N 1.062 124.007 122.820 0.209 0.000 1.873 866 A HA -0.111 4.209 4.320 0.001 0.000 0.215 866 A C 2.342 179.869 177.584 -0.096 0.000 1.186 866 A CA 1.282 53.335 52.037 0.027 0.000 0.616 866 A CB -0.597 18.282 19.000 -0.202 0.000 0.823 866 A HN 0.044 nan 8.150 nan 0.000 0.442 867 V N -0.087 119.670 119.914 -0.262 0.000 2.261 867 V HA -0.254 3.866 4.120 0.001 0.000 0.246 867 V C 2.490 178.553 176.094 -0.052 0.000 1.047 867 V CA 1.960 64.107 62.300 -0.255 0.000 1.015 867 V CB -0.967 30.592 31.823 -0.441 0.000 0.642 867 V HN 0.585 nan 8.190 nan 0.000 0.446 868 L N -0.163 121.064 121.223 0.007 0.000 2.089 868 L HA -0.194 4.147 4.340 0.001 0.000 0.213 868 L C 2.076 178.970 176.870 0.039 0.000 1.079 868 L CA 1.994 56.859 54.840 0.040 0.000 0.758 868 L CB -0.478 41.613 42.059 0.053 0.000 0.891 868 L HN 0.266 nan 8.230 nan 0.000 0.433 869 L N -1.563 119.686 121.223 0.043 0.000 2.492 869 L HA 0.020 4.361 4.340 0.001 0.000 0.223 869 L C 1.283 178.173 176.870 0.033 0.000 1.132 869 L CA -0.235 54.631 54.840 0.044 0.000 0.850 869 L CB -0.456 41.647 42.059 0.073 0.000 0.966 869 L HN 0.251 nan 8.230 nan 0.000 0.454 870 M N 0.545 120.159 119.600 0.024 0.000 2.207 870 M HA 0.070 4.550 4.480 0.001 0.000 0.311 870 M C 0.198 176.524 176.300 0.042 0.000 1.127 870 M CA 0.050 55.366 55.300 0.027 0.000 1.181 870 M CB 0.323 32.939 32.600 0.027 0.000 1.409 870 M HN 0.071 nan 8.290 nan 0.000 0.461 871 D N 0.845 121.270 120.400 0.042 0.000 2.478 871 D HA 0.342 4.982 4.640 0.001 0.000 0.263 871 D C 0.689 177.024 176.300 0.060 0.000 1.153 871 D CA -0.427 53.601 54.000 0.047 0.000 1.038 871 D CB 0.748 41.570 40.800 0.037 0.000 1.120 871 D HN 0.628 nan 8.370 nan 0.000 0.564 872 A N -0.290 122.565 122.820 0.058 0.000 1.948 872 A HA -0.269 4.051 4.320 0.001 0.000 0.220 872 A C 2.041 179.659 177.584 0.057 0.000 1.177 872 A CA 2.062 54.138 52.037 0.065 0.000 0.636 872 A CB -0.865 18.167 19.000 0.054 0.000 0.815 872 A HN 0.775 nan 8.150 nan 0.000 0.449 873 E N -0.403 119.820 120.200 0.038 0.000 2.015 873 E HA -0.225 4.125 4.350 0.001 0.000 0.191 873 E C 1.925 178.553 176.600 0.047 0.000 0.991 873 E CA 1.391 57.807 56.400 0.027 0.000 0.802 873 E CB -0.108 29.598 29.700 0.011 0.000 0.759 873 E HN 0.355 nan 8.360 nan 0.000 0.447 874 K N 0.786 121.214 120.400 0.047 0.000 2.173 874 K HA -0.184 4.137 4.320 0.001 0.000 0.207 874 K C 2.150 178.814 176.600 0.108 0.000 1.046 874 K CA 1.408 57.729 56.287 0.057 0.000 0.929 874 K CB -0.275 32.246 32.500 0.035 0.000 0.720 874 K HN 0.126 nan 8.250 nan 0.000 0.453 875 R N -0.068 120.512 120.500 0.134 0.000 2.061 875 R HA 0.031 4.372 4.340 0.001 0.000 0.230 875 R C 2.342 178.773 176.300 0.218 0.000 1.140 875 R CA 1.666 57.905 56.100 0.233 0.000 0.940 875 R CB -0.503 29.953 30.300 0.261 0.000 0.839 875 R HN 0.133 nan 8.270 nan 0.000 0.429 876 I N 0.734 121.381 120.570 0.129 0.000 2.248 876 I HA -0.319 3.851 4.170 0.001 0.000 0.248 876 I C 2.537 178.710 176.117 0.093 0.000 1.107 876 I CA 1.340 62.683 61.300 0.072 0.000 1.373 876 I CB -0.347 37.660 38.000 0.010 0.000 1.055 876 I HN 0.173 nan 8.210 nan 0.000 0.418 877 R N 0.337 120.899 120.500 0.102 0.000 2.073 877 R HA -0.176 4.165 4.340 0.001 0.000 0.234 877 R C 2.362 178.790 176.300 0.213 0.000 1.134 877 R CA 1.376 57.545 56.100 0.115 0.000 0.952 877 R CB -0.749 29.597 30.300 0.076 0.000 0.850 877 R HN 0.261 nan 8.270 nan 0.000 0.433 878 L N 1.418 122.797 121.223 0.260 0.000 2.013 878 L HA -0.189 4.151 4.340 0.001 0.000 0.212 878 L C 2.172 179.355 176.870 0.521 0.000 1.073 878 L CA 1.545 56.634 54.840 0.416 0.000 0.753 878 L CB -0.724 41.594 42.059 0.431 0.000 0.890 878 L HN 0.107 nan 8.230 nan 0.000 0.432 879 L N -0.292 121.162 121.223 0.386 0.000 1.970 879 L HA -0.268 4.073 4.340 0.001 0.000 0.212 879 L C 2.683 179.709 176.870 0.260 0.000 1.071 879 L CA 2.436 57.443 54.840 0.278 0.000 0.751 879 L CB -1.012 41.051 42.059 0.006 0.000 0.889 879 L HN 0.621 nan 8.230 nan 0.000 0.432 880 Q N -1.364 118.542 119.800 0.177 0.000 2.045 880 Q HA -0.321 4.019 4.340 0.001 0.000 0.206 880 Q C 2.301 178.402 176.000 0.168 0.000 0.991 880 Q CA 2.531 58.411 55.803 0.128 0.000 0.851 880 Q CB -0.573 28.217 28.738 0.086 0.000 0.911 880 Q HN 0.521 nan 8.270 nan 0.000 0.418 881 F N 0.174 120.190 119.950 0.109 0.000 2.147 881 F HA -0.221 4.307 4.527 0.001 0.000 0.301 881 F C 1.549 177.412 175.800 0.105 0.000 1.084 881 F CA 1.652 59.710 58.000 0.097 0.000 1.268 881 F CB -0.212 38.856 39.000 0.114 0.000 1.009 881 F HN 0.011 nan 8.300 nan 0.000 0.486 882 V N -0.611 119.271 119.914 -0.054 0.000 2.672 882 V HA -0.095 4.025 4.120 0.001 0.000 0.242 882 V C 2.298 178.363 176.094 -0.048 0.000 1.059 882 V CA 1.709 63.911 62.300 -0.164 0.000 1.081 882 V CB -0.588 31.318 31.823 0.140 0.000 0.752 882 V HN 0.536 nan 8.190 nan 0.000 0.472 883 T N -3.012 111.606 114.554 0.107 0.000 3.044 883 T HA 0.358 4.709 4.350 0.001 0.000 0.250 883 T C 1.611 176.316 174.700 0.009 0.000 1.081 883 T CA 1.232 63.386 62.100 0.091 0.000 1.040 883 T CB 0.881 69.866 68.868 0.196 0.000 0.962 883 T HN 0.893 nan 8.240 nan 0.000 0.506 884 G N 0.302 109.100 108.800 -0.004 0.000 2.258 884 G HA2 -0.206 3.755 3.960 0.001 0.000 0.233 884 G HA3 -0.206 3.755 3.960 0.001 0.000 0.233 884 G C 0.224 175.096 174.900 -0.046 0.000 1.006 884 G CA 0.279 45.359 45.100 -0.033 0.000 0.620 884 G HN 0.912 nan 8.290 nan 0.000 0.511 885 T N -0.142 114.382 114.554 -0.050 0.000 2.908 885 T HA 0.612 4.963 4.350 0.001 0.000 0.290 885 T C 1.308 175.985 174.700 -0.039 0.000 1.034 885 T CA 0.848 62.898 62.100 -0.085 0.000 1.010 885 T CB 1.570 70.327 68.868 -0.185 0.000 1.068 885 T HN 0.939 nan 8.240 nan 0.000 0.481 886 S N 2.328 117.988 115.700 -0.066 0.000 2.556 886 S HA 0.365 4.836 4.470 0.001 0.000 0.216 886 S C 0.619 175.165 174.600 -0.091 0.000 0.970 886 S CA -0.473 57.687 58.200 -0.067 0.000 0.912 886 S CB 0.113 63.252 63.200 -0.101 0.000 0.790 886 S HN 0.502 nan 8.310 nan 0.000 0.504 887 R N 0.402 120.869 120.500 -0.055 0.000 2.797 887 R HA 0.809 5.149 4.340 0.001 0.000 0.251 887 R C -1.105 175.209 176.300 0.024 0.000 1.107 887 R CA -0.640 55.466 56.100 0.009 0.000 1.084 887 R CB 1.229 31.582 30.300 0.089 0.000 1.205 887 R HN 0.141 nan 8.270 nan 0.000 0.515 888 V N 2.038 121.904 119.914 -0.080 0.000 2.686 888 V HA 0.391 4.511 4.120 0.001 0.000 0.306 888 V C -2.341 173.430 176.094 -0.538 0.000 1.065 888 V CA -2.112 59.924 62.300 -0.440 0.000 0.894 888 V CB 1.923 33.403 31.823 -0.573 0.000 1.004 888 V HN 0.659 nan 8.190 nan 0.000 0.424 889 P HA 0.013 nan 4.420 nan 0.000 0.264 889 P C 1.042 178.147 177.300 -0.326 0.000 1.173 889 P CA 0.308 62.895 63.100 -0.855 0.000 0.761 889 P CB 0.448 31.627 31.700 -0.867 0.000 0.794 890 M N 3.048 122.591 119.600 -0.094 0.000 2.195 890 M HA -0.242 4.239 4.480 0.001 0.000 0.260 890 M C 0.570 176.846 176.300 -0.041 0.000 1.066 890 M CA 2.003 57.283 55.300 -0.033 0.000 1.089 890 M CB -0.361 32.256 32.600 0.029 0.000 1.377 890 M HN 0.352 nan 8.290 nan 0.000 0.411 891 N N 0.586 119.260 118.700 -0.043 0.000 2.295 891 N HA 0.268 5.009 4.740 0.001 0.000 0.221 891 N C 0.037 175.507 175.510 -0.067 0.000 1.129 891 N CA 0.076 53.110 53.050 -0.028 0.000 0.836 891 N CB 0.498 38.987 38.487 0.003 0.000 1.040 891 N HN 0.561 nan 8.380 nan 0.000 0.494 892 G N 0.433 109.166 108.800 -0.112 0.000 2.685 892 G HA2 -0.285 3.675 3.960 0.001 0.000 0.387 892 G HA3 -0.285 3.675 3.960 0.001 0.000 0.387 892 G C -0.070 174.701 174.900 -0.214 0.000 1.324 892 G CA -0.798 44.235 45.100 -0.111 0.000 0.878 892 G HN 0.177 nan 8.290 nan 0.000 0.527 893 F N 1.488 121.315 119.950 -0.204 0.000 2.802 893 F HA 0.298 4.826 4.527 0.001 0.000 0.300 893 F C 2.724 178.419 175.800 -0.175 0.000 1.168 893 F CA 1.731 59.640 58.000 -0.151 0.000 1.433 893 F CB 0.107 39.102 39.000 -0.007 0.000 1.115 893 F HN 0.685 nan 8.300 nan 0.000 0.582 894 A N -0.872 121.797 122.820 -0.251 0.000 2.072 894 A HA -0.004 4.317 4.320 0.001 0.000 0.216 894 A C 1.635 179.215 177.584 -0.007 0.000 1.156 894 A CA 0.846 52.782 52.037 -0.167 0.000 0.701 894 A CB -0.162 18.667 19.000 -0.286 0.000 0.816 894 A HN 0.103 nan 8.150 nan 0.000 0.458 895 E N -0.191 119.986 120.200 -0.038 0.000 2.411 895 E HA 0.238 4.588 4.350 0.001 0.000 0.204 895 E C -0.681 175.974 176.600 0.092 0.000 1.059 895 E CA -0.275 56.151 56.400 0.044 0.000 1.112 895 E CB -0.085 29.610 29.700 -0.007 0.000 1.168 895 E HN 0.385 nan 8.360 nan 0.000 0.445 896 L N 0.621 121.897 121.223 0.089 0.000 2.464 896 L HA 0.099 4.439 4.340 0.001 0.000 0.264 896 L C -0.456 176.620 176.870 0.343 0.000 1.199 896 L CA 0.119 55.064 54.840 0.175 0.000 0.818 896 L CB 0.239 42.414 42.059 0.193 0.000 1.102 896 L HN 0.007 nan 8.230 nan 0.000 0.473 897 Y N 0.410 120.821 120.300 0.185 0.000 2.462 897 Y HA 0.619 5.169 4.550 0.001 0.000 0.346 897 Y C 0.550 176.467 175.900 0.028 0.000 0.976 897 Y CA -0.671 57.489 58.100 0.100 0.000 1.044 897 Y CB 1.990 40.510 38.460 0.099 0.000 1.230 897 Y HN 0.610 nan 8.280 nan 0.000 0.455 898 G N -0.103 108.696 108.800 -0.002 0.000 2.531 898 G HA2 0.342 4.302 3.960 0.001 0.000 0.313 898 G HA3 0.342 4.302 3.960 0.001 0.000 0.313 898 G C 0.417 175.267 174.900 -0.083 0.000 1.238 898 G CA -0.285 44.767 45.100 -0.081 0.000 0.994 898 G HN 0.673 nan 8.290 nan 0.000 0.493 899 S N -1.668 113.914 115.700 -0.197 0.000 2.660 899 S HA 0.006 4.477 4.470 0.001 0.000 0.228 899 S C 0.892 175.416 174.600 -0.127 0.000 0.966 899 S CA 0.635 58.745 58.200 -0.151 0.000 0.940 899 S CB -0.186 62.891 63.200 -0.205 0.000 0.773 899 S HN 0.474 nan 8.310 nan 0.000 0.535 900 N N 0.227 118.845 118.700 -0.136 0.000 2.184 900 N HA 0.476 5.216 4.740 0.001 0.000 0.234 900 N C 0.234 175.707 175.510 -0.063 0.000 1.282 900 N CA 0.457 53.452 53.050 -0.093 0.000 0.877 900 N CB 1.704 40.115 38.487 -0.127 0.000 1.184 900 N HN 0.549 nan 8.380 nan 0.000 0.510 901 G N 0.316 109.077 108.800 -0.066 0.000 2.343 901 G HA2 -0.110 3.851 3.960 0.001 0.000 0.562 901 G HA3 -0.110 3.851 3.960 0.001 0.000 0.562 901 G C -2.901 171.551 174.900 -0.748 0.000 1.269 901 G CA -1.293 43.657 45.100 -0.250 0.000 1.011 901 G HN -0.153 nan 8.290 nan 0.000 0.498 902 P HA 0.246 nan 4.420 nan 0.000 0.259 902 P C -0.405 176.684 177.300 -0.351 0.000 1.155 902 P CA 1.051 63.630 63.100 -0.869 0.000 0.759 902 P CB 0.654 32.083 31.700 -0.453 0.000 0.753 903 Q N 3.589 123.275 119.800 -0.190 0.000 2.709 903 Q HA 0.298 4.639 4.340 0.001 0.000 0.232 903 Q C -1.332 174.720 176.000 0.087 0.000 0.856 903 Q CA -0.151 55.637 55.803 -0.025 0.000 0.788 903 Q CB 0.080 28.812 28.738 -0.010 0.000 1.386 903 Q HN 0.294 nan 8.270 nan 0.000 0.453 904 L N 3.288 124.582 121.223 0.118 0.000 2.485 904 L HA 0.210 4.550 4.340 0.001 0.000 0.275 904 L C 0.583 177.626 176.870 0.288 0.000 1.207 904 L CA -0.293 54.684 54.840 0.229 0.000 0.855 904 L CB 0.202 42.386 42.059 0.208 0.000 1.114 904 L HN 0.629 nan 8.230 nan 0.000 0.485 905 F N 2.583 122.703 119.950 0.283 0.000 2.623 905 F HA -0.064 4.463 4.527 0.001 0.000 0.386 905 F C 0.537 176.456 175.800 0.198 0.000 1.068 905 F CA 0.342 58.538 58.000 0.327 0.000 1.265 905 F CB 0.337 39.683 39.000 0.577 0.000 1.026 905 F HN 0.409 nan 8.300 nan 0.000 0.568 906 T N 6.909 121.342 114.554 -0.201 0.000 2.924 906 T HA 0.693 5.044 4.350 0.001 0.000 0.291 906 T C -0.561 173.985 174.700 -0.256 0.000 1.045 906 T CA -0.707 61.304 62.100 -0.148 0.000 1.015 906 T CB 1.817 70.631 68.868 -0.089 0.000 1.103 906 T HN 0.414 nan 8.240 nan 0.000 0.496 907 I N 1.456 121.969 120.570 -0.095 0.000 2.529 907 I HA 0.365 4.536 4.170 0.001 0.000 0.284 907 I C -0.269 175.909 176.117 0.101 0.000 1.088 907 I CA -0.576 60.711 61.300 -0.021 0.000 1.062 907 I CB 1.982 40.038 38.000 0.093 0.000 1.218 907 I HN 0.598 nan 8.210 nan 0.000 0.442 908 E N 5.015 125.220 120.200 0.008 0.000 2.222 908 E HA 0.357 4.708 4.350 0.001 0.000 0.267 908 E C -1.041 175.454 176.600 -0.174 0.000 0.963 908 E CA -0.676 55.685 56.400 -0.065 0.000 0.837 908 E CB 2.069 31.727 29.700 -0.070 0.000 1.183 908 E HN 0.529 nan 8.360 nan 0.000 0.403 909 Q N 2.962 122.469 119.800 -0.488 0.000 2.278 909 Q HA 0.350 4.691 4.340 0.001 0.000 0.257 909 Q C -1.817 174.109 176.000 -0.122 0.000 0.928 909 Q CA -0.536 54.876 55.803 -0.650 0.000 0.932 909 Q CB 0.862 28.842 28.738 -1.263 0.000 1.221 909 Q HN 0.577 nan 8.270 nan 0.000 0.434 910 W N 4.276 125.445 121.300 -0.219 0.000 3.479 910 W HA 0.511 5.172 4.660 0.001 0.000 0.304 910 W C -0.889 175.567 176.519 -0.105 0.000 1.243 910 W CA 0.578 57.841 57.345 -0.136 0.000 1.202 910 W CB 0.907 30.311 29.460 -0.095 0.000 1.346 910 W HN 0.961 nan 8.180 nan 0.000 0.539 911 G N 2.481 110.434 108.800 -1.413 0.000 2.781 911 G HA2 0.231 4.192 3.960 0.001 0.000 0.683 911 G HA3 0.231 4.192 3.960 0.001 0.000 0.683 911 G C -0.289 174.216 174.900 -0.657 0.000 1.390 911 G CA -0.385 43.864 45.100 -1.418 0.000 0.850 911 G HN 1.607 nan 8.290 nan 0.000 0.557 912 S N 0.213 115.607 115.700 -0.509 0.000 2.617 912 S HA 0.650 5.121 4.470 0.001 0.000 0.269 912 S C -1.270 173.177 174.600 -0.256 0.000 1.292 912 S CA -0.642 57.384 58.200 -0.290 0.000 1.010 912 S CB 1.983 65.063 63.200 -0.200 0.000 0.944 912 S HN 0.482 nan 8.310 nan 0.000 0.536 913 P HA -0.144 nan 4.420 nan 0.000 0.224 913 P C 0.996 178.305 177.300 0.015 0.000 1.142 913 P CA 1.251 64.277 63.100 -0.123 0.000 0.778 913 P CB -0.109 31.591 31.700 -0.000 0.000 0.764 914 E N -0.484 119.707 120.200 -0.014 0.000 2.122 914 E HA -0.020 4.331 4.350 0.001 0.000 0.190 914 E C 0.392 177.030 176.600 0.064 0.000 0.977 914 E CA 0.401 56.824 56.400 0.038 0.000 0.820 914 E CB -0.425 29.277 29.700 0.003 0.000 0.770 914 E HN 0.175 nan 8.360 nan 0.000 0.462 915 K N 1.302 121.706 120.400 0.006 0.000 2.258 915 K HA 0.234 4.555 4.320 0.001 0.000 0.264 915 K C -0.099 176.616 176.600 0.193 0.000 1.007 915 K CA -0.241 56.091 56.287 0.075 0.000 0.941 915 K CB 0.968 33.459 32.500 -0.014 0.000 0.966 915 K HN 0.038 nan 8.250 nan 0.000 0.480 916 L N 3.690 125.058 121.223 0.241 0.000 2.375 916 L HA 0.274 4.614 4.340 0.001 0.000 0.271 916 L C -1.765 175.310 176.870 0.343 0.000 1.107 916 L CA -2.213 52.784 54.840 0.261 0.000 0.806 916 L CB 0.640 42.797 42.059 0.163 0.000 1.146 916 L HN 0.469 nan 8.230 nan 0.000 0.447 917 P HA 0.110 nan 4.420 nan 0.000 0.268 917 P C -1.112 176.368 177.300 0.300 0.000 1.204 917 P CA 0.000 63.307 63.100 0.346 0.000 0.768 917 P CB 0.640 32.554 31.700 0.358 0.000 0.842 918 R N 1.618 122.159 120.500 0.068 0.000 2.758 918 R HA 0.840 5.181 4.340 0.001 0.000 0.265 918 R C -0.364 175.728 176.300 -0.347 0.000 1.016 918 R CA -0.946 55.059 56.100 -0.159 0.000 1.040 918 R CB 1.636 31.605 30.300 -0.552 0.000 1.152 918 R HN 0.519 nan 8.270 nan 0.000 0.503 919 A N 0.906 123.391 122.820 -0.558 0.000 2.475 919 A HA 0.492 4.812 4.320 0.001 0.000 0.301 919 A C -1.423 175.770 177.584 -0.653 0.000 1.059 919 A CA -0.838 50.781 52.037 -0.697 0.000 0.710 919 A CB 1.320 19.698 19.000 -1.037 0.000 1.288 919 A HN 0.757 nan 8.150 nan 0.000 0.408 920 H N 2.657 121.607 119.070 -0.201 0.000 2.786 920 H HA 0.198 4.754 4.556 0.001 0.000 0.284 920 H C 0.904 176.210 175.328 -0.038 0.000 1.104 920 H CA 0.410 56.421 56.048 -0.062 0.000 1.339 920 H CB 0.969 30.757 29.762 0.043 0.000 1.427 920 H HN 0.839 nan 8.280 nan 0.000 0.497 921 T N -0.816 113.739 114.554 0.001 0.000 2.977 921 T HA -0.121 4.230 4.350 0.001 0.000 0.271 921 T C 2.004 176.681 174.700 -0.038 0.000 1.105 921 T CA 0.898 62.978 62.100 -0.035 0.000 1.116 921 T CB 0.089 68.922 68.868 -0.058 0.000 0.878 921 T HN 0.496 nan 8.240 nan 0.000 0.509 922 A N 0.799 123.590 122.820 -0.049 0.000 1.970 922 A HA 0.334 4.655 4.320 0.001 0.000 0.216 922 A C 1.438 178.745 177.584 -0.461 0.000 1.170 922 A CA 0.441 52.293 52.037 -0.308 0.000 0.645 922 A CB -0.551 18.146 19.000 -0.505 0.000 0.816 922 A HN 0.602 nan 8.150 nan 0.000 0.447 923 F N -0.138 119.791 119.950 -0.034 0.000 2.698 923 F HA 0.229 4.757 4.527 0.001 0.000 0.304 923 F C 0.297 176.067 175.800 -0.051 0.000 1.108 923 F CA -0.658 57.313 58.000 -0.049 0.000 1.263 923 F CB -0.031 38.918 39.000 -0.086 0.000 1.013 923 F HN 0.098 nan 8.300 nan 0.000 0.532 924 N N 2.084 120.837 118.700 0.088 0.000 2.698 924 N HA -0.273 4.468 4.740 0.001 0.000 0.258 924 N C 0.035 175.467 175.510 -0.129 0.000 0.978 924 N CA 0.642 53.695 53.050 0.005 0.000 0.777 924 N CB -0.759 37.782 38.487 0.089 0.000 0.907 924 N HN 0.509 nan 8.380 nan 0.000 0.543 925 R N 0.282 120.740 120.500 -0.069 0.000 2.664 925 R HA 0.607 4.948 4.340 0.001 0.000 0.286 925 R C -0.871 175.304 176.300 -0.209 0.000 0.967 925 R CA -0.807 55.216 56.100 -0.128 0.000 0.933 925 R CB 0.999 31.317 30.300 0.030 0.000 1.146 925 R HN 0.133 nan 8.270 nan 0.000 0.468 926 L N 3.134 124.206 121.223 -0.250 0.000 2.376 926 L HA 0.408 4.748 4.340 0.001 0.000 0.275 926 L C -1.557 175.245 176.870 -0.114 0.000 0.987 926 L CA -0.361 54.352 54.840 -0.211 0.000 0.828 926 L CB 1.934 43.872 42.059 -0.203 0.000 1.249 926 L HN 0.587 nan 8.230 nan 0.000 0.409 927 D N 5.768 126.099 120.400 -0.115 0.000 2.411 927 D HA 0.245 4.886 4.640 0.001 0.000 0.225 927 D C -0.643 175.760 176.300 0.171 0.000 1.156 927 D CA 0.027 54.022 54.000 -0.009 0.000 0.874 927 D CB 1.531 42.194 40.800 -0.229 0.000 1.034 927 D HN 0.303 nan 8.370 nan 0.000 0.502 928 L N 5.394 126.733 121.223 0.194 0.000 2.265 928 L HA 0.361 4.701 4.340 0.001 0.000 0.289 928 L C -2.373 174.625 176.870 0.214 0.000 1.033 928 L CA -2.048 52.936 54.840 0.241 0.000 0.814 928 L CB 1.384 43.558 42.059 0.193 0.000 1.203 928 L HN 0.059 nan 8.230 nan 0.000 0.423 929 P HA 0.161 nan 4.420 nan 0.000 0.271 929 P C -2.641 174.465 177.300 -0.323 0.000 1.216 929 P CA -1.511 61.444 63.100 -0.243 0.000 0.776 929 P CB 0.076 31.509 31.700 -0.445 0.000 0.881 930 P HA 0.019 nan 4.420 nan 0.000 0.244 930 P C -0.280 177.015 177.300 -0.008 0.000 1.723 930 P CA 0.041 63.162 63.100 0.034 0.000 1.110 930 P CB -0.701 31.052 31.700 0.090 0.000 1.972 931 Y N 1.338 121.761 120.300 0.205 0.000 2.546 931 Y HA -0.066 4.484 4.550 0.001 0.000 0.351 931 Y C 2.119 178.205 175.900 0.310 0.000 1.266 931 Y CA 0.555 58.778 58.100 0.206 0.000 1.487 931 Y CB 0.321 38.896 38.460 0.191 0.000 1.365 931 Y HN 0.324 nan 8.280 nan 0.000 0.642 932 E N -0.350 120.112 120.200 0.436 0.000 2.290 932 E HA 0.038 4.389 4.350 0.001 0.000 0.197 932 E C 0.169 177.011 176.600 0.403 0.000 0.948 932 E CA 0.826 57.457 56.400 0.385 0.000 0.895 932 E CB 0.322 30.151 29.700 0.215 0.000 0.865 932 E HN 0.610 nan 8.360 nan 0.000 0.486 933 T N -2.119 112.493 114.554 0.097 0.000 2.861 933 T HA 0.278 4.628 4.350 0.001 0.000 0.287 933 T C 0.527 174.768 174.700 -0.764 0.000 1.003 933 T CA -0.855 61.049 62.100 -0.327 0.000 0.977 933 T CB 1.552 70.327 68.868 -0.154 0.000 0.996 933 T HN -0.013 nan 8.240 nan 0.000 0.448 934 F N 2.523 121.455 119.950 -1.697 0.000 2.087 934 F HA -0.154 4.373 4.527 0.001 0.000 0.299 934 F C 2.136 177.575 175.800 -0.603 0.000 1.100 934 F CA 2.278 59.431 58.000 -1.411 0.000 1.226 934 F CB -0.139 38.020 39.000 -1.401 0.000 0.983 934 F HN 0.746 nan 8.300 nan 0.000 0.479 935 E N 0.429 120.386 120.200 -0.404 0.000 2.153 935 E HA -0.210 4.141 4.350 0.001 0.000 0.194 935 E C 1.786 178.144 176.600 -0.404 0.000 0.988 935 E CA 1.464 57.656 56.400 -0.346 0.000 0.811 935 E CB -0.540 29.104 29.700 -0.092 0.000 0.746 935 E HN 0.578 nan 8.360 nan 0.000 0.466 936 D N -0.356 119.829 120.400 -0.357 0.000 2.097 936 D HA -0.157 4.483 4.640 0.001 0.000 0.195 936 D C 2.053 177.993 176.300 -0.600 0.000 0.989 936 D CA 1.111 54.924 54.000 -0.310 0.000 0.827 936 D CB -0.259 40.466 40.800 -0.126 0.000 0.966 936 D HN 0.319 nan 8.370 nan 0.000 0.456 937 L N 0.177 120.970 121.223 -0.716 0.000 2.017 937 L HA -0.150 4.191 4.340 0.001 0.000 0.208 937 L C 2.628 179.049 176.870 -0.748 0.000 1.073 937 L CA 1.452 55.672 54.840 -1.035 0.000 0.745 937 L CB -0.333 41.533 42.059 -0.322 0.000 0.894 937 L HN -0.023 nan 8.230 nan 0.000 0.432 938 R N -0.095 119.977 120.500 -0.714 0.000 2.091 938 R HA -0.226 4.115 4.340 0.001 0.000 0.238 938 R C 2.080 178.161 176.300 -0.365 0.000 1.136 938 R CA 2.171 57.937 56.100 -0.556 0.000 0.959 938 R CB -0.256 29.630 30.300 -0.691 0.000 0.856 938 R HN 0.556 nan 8.270 nan 0.000 0.437 939 E N -0.262 119.727 120.200 -0.353 0.000 2.204 939 E HA -0.148 4.202 4.350 0.001 0.000 0.194 939 E C 1.852 178.325 176.600 -0.211 0.000 0.989 939 E CA 0.818 57.077 56.400 -0.234 0.000 0.824 939 E CB 0.188 29.771 29.700 -0.195 0.000 0.756 939 E HN 0.206 nan 8.360 nan 0.000 0.477 940 K N 0.342 120.562 120.400 -0.299 0.000 2.186 940 K HA -0.034 4.286 4.320 0.001 0.000 0.202 940 K C 2.131 178.664 176.600 -0.112 0.000 1.052 940 K CA 0.344 56.516 56.287 -0.191 0.000 0.965 940 K CB -0.149 32.196 32.500 -0.258 0.000 0.746 940 K HN 0.101 nan 8.250 nan 0.000 0.457 941 L N 1.161 122.296 121.223 -0.147 0.000 2.068 941 L HA 0.011 4.352 4.340 0.001 0.000 0.204 941 L C 2.029 178.844 176.870 -0.092 0.000 1.076 941 L CA 1.241 56.051 54.840 -0.049 0.000 0.753 941 L CB -0.424 41.633 42.059 -0.004 0.000 0.910 941 L HN 0.006 nan 8.230 nan 0.000 0.439 942 L N -1.019 120.133 121.223 -0.118 0.000 2.353 942 L HA -0.203 4.137 4.340 0.001 0.000 0.220 942 L C 2.399 179.206 176.870 -0.104 0.000 1.133 942 L CA 0.749 55.528 54.840 -0.101 0.000 0.798 942 L CB -0.333 41.664 42.059 -0.103 0.000 0.922 942 L HN 0.434 nan 8.230 nan 0.000 0.445 943 M N -1.255 118.278 119.600 -0.112 0.000 2.299 943 M HA -0.055 4.425 4.480 0.001 0.000 0.264 943 M C 2.494 178.710 176.300 -0.140 0.000 1.095 943 M CA 1.585 56.824 55.300 -0.101 0.000 1.165 943 M CB -0.396 32.157 32.600 -0.078 0.000 1.349 943 M HN 0.274 nan 8.290 nan 0.000 0.446 944 A N -0.130 122.578 122.820 -0.187 0.000 1.902 944 A HA -0.115 4.206 4.320 0.001 0.000 0.217 944 A C 2.184 179.442 177.584 -0.544 0.000 1.181 944 A CA 1.813 53.636 52.037 -0.356 0.000 0.623 944 A CB -1.056 17.698 19.000 -0.409 0.000 0.818 944 A HN 0.321 nan 8.150 nan 0.000 0.443 945 V N 0.375 120.034 119.914 -0.426 0.000 2.233 945 V HA -0.253 3.868 4.120 0.001 0.000 0.247 945 V C 2.608 178.604 176.094 -0.164 0.000 1.050 945 V CA 2.242 64.361 62.300 -0.302 0.000 1.010 945 V CB -0.815 30.942 31.823 -0.110 0.000 0.637 945 V HN 0.560 nan 8.190 nan 0.000 0.444 946 E N 0.708 120.839 120.200 -0.114 0.000 2.000 946 E HA -0.203 4.148 4.350 0.001 0.000 0.199 946 E C 1.443 178.003 176.600 -0.066 0.000 1.011 946 E CA 1.333 57.693 56.400 -0.068 0.000 0.836 946 E CB -0.759 28.907 29.700 -0.057 0.000 0.778 946 E HN 0.668 nan 8.360 nan 0.000 0.462 947 N N 1.029 119.685 118.700 -0.074 0.000 3.105 947 N HA 0.170 4.911 4.740 0.001 0.000 0.309 947 N C -0.346 175.130 175.510 -0.057 0.000 1.291 947 N CA -0.476 52.542 53.050 -0.052 0.000 1.153 947 N CB 0.157 38.618 38.487 -0.044 0.000 1.447 947 N HN 0.114 nan 8.380 nan 0.000 0.555 948 A N 0.204 122.991 122.820 -0.055 0.000 2.483 948 A HA 0.568 4.888 4.320 0.001 0.000 0.286 948 A C 0.323 177.938 177.584 0.052 0.000 1.207 948 A CA -0.452 51.574 52.037 -0.019 0.000 0.764 948 A CB 1.379 20.307 19.000 -0.120 0.000 1.341 948 A HN 0.347 nan 8.150 nan 0.000 0.428 949 Q N -1.693 118.180 119.800 0.123 0.000 2.487 949 Q HA -0.132 4.209 4.340 0.001 0.000 0.270 949 Q C 0.088 176.133 176.000 0.076 0.000 0.901 949 Q CA 0.832 56.702 55.803 0.113 0.000 1.095 949 Q CB -1.639 27.148 28.738 0.082 0.000 1.286 949 Q HN 2.000 nan 8.270 nan 0.000 0.613 950 G N 0.000 108.845 108.800 0.075 0.000 5.446 950 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 950 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 950 G CA 0.000 45.135 45.100 0.058 0.000 0.502 950 G HN 0.000 nan 8.290 nan 0.000 0.925