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 1xd2_1_C DATA FIRST_RESID 566 DATA SEQUENCE QMRLPSADVY RFAEPDSEEN IIFEEXXXXX XGIPIIKAGT VIKLIERLTY DATA SEQUENCE HMYADPNFVR TFLTTYRSFC KPQELLSLII ERFEIPEPEP TEADRIAIEN DATA SEQUENCE GDQPLSAELK RFRKEYIQPV QLRVLNVCRH WVEHHFYDFE RDAYLLQRME DATA SEQUENCE EFIGTVRGKA MKKWVESITK IIQRKKIAXX XXXXHNITFQ SSPPTVEWHI DATA SEQUENCE SRPGHIETFD LLTLHPIEIA RQLTLLESDL YRAVQPSELV GSVWTKEDKE DATA SEQUENCE INSPNLLKMI RHTTNLTLWF EKCIVETENL EERVAVVSRI IEILQVFQEL DATA SEQUENCE NNFNGVLEVV SAMNSSPVYR LDHTFEQIPS RQKKILEEAH ELSEDHYKKY DATA SEQUENCE LAKLRSINPP CVPFFGIYLT NILKTEEGNP EVLKRHGKEL INFSKRRKVA DATA SEQUENCE EITGEIQQYQ NQPYCLRVES DIKRFFENLN PMGNSMEKEF TDYLFNKSLE DATA SEQUENCE IEPRNPKPLP RFPKKYSYPL KSPGVRPSNP R 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 566 Q HA 0.000 nan 4.340 nan 0.000 0.214 566 Q C 0.000 176.016 176.000 0.027 0.000 1.003 566 Q CA 0.000 55.820 55.803 0.029 0.000 1.022 566 Q CB 0.000 28.757 28.738 0.032 0.000 1.108 567 M N 1.373 120.997 119.600 0.040 0.000 2.093 567 M HA 0.479 4.961 4.480 0.004 0.000 0.297 567 M C -1.472 174.829 176.300 0.001 0.000 0.938 567 M CA -0.313 55.013 55.300 0.042 0.000 0.920 567 M CB 1.266 33.929 32.600 0.106 0.000 1.517 567 M HN 0.443 nan 8.290 nan 0.000 0.427 568 R N 4.092 124.548 120.500 -0.074 0.000 2.489 568 R HA 0.395 4.738 4.340 0.004 0.000 0.287 568 R C -0.701 175.446 176.300 -0.255 0.000 1.053 568 R CA 0.038 56.051 56.100 -0.145 0.000 1.036 568 R CB 0.438 30.632 30.300 -0.176 0.000 0.966 568 R HN 0.693 nan 8.270 nan 0.000 0.432 569 L N 4.094 125.194 121.223 -0.204 0.000 2.431 569 L HA 0.426 4.768 4.340 0.004 0.000 0.260 569 L C -1.732 174.974 176.870 -0.274 0.000 1.098 569 L CA -2.239 52.440 54.840 -0.268 0.000 0.800 569 L CB 0.338 42.307 42.059 -0.150 0.000 1.210 569 L HN 0.347 nan 8.230 nan 0.000 0.465 570 P HA 0.005 nan 4.420 nan 0.000 0.271 570 P C -0.748 176.525 177.300 -0.045 0.000 1.244 570 P CA -0.356 62.642 63.100 -0.170 0.000 0.793 570 P CB 0.470 32.084 31.700 -0.143 0.000 0.984 571 S N 0.201 115.886 115.700 -0.026 0.000 2.505 571 S HA 0.309 4.782 4.470 0.004 0.000 0.276 571 S C 1.312 175.948 174.600 0.060 0.000 1.274 571 S CA -0.109 58.093 58.200 0.003 0.000 1.053 571 S CB -0.219 62.975 63.200 -0.011 0.000 0.919 571 S HN 0.453 nan 8.310 nan 0.000 0.490 572 A N 4.049 126.896 122.820 0.046 0.000 2.234 572 A HA -0.032 4.290 4.320 0.004 0.000 0.216 572 A C 1.329 178.928 177.584 0.026 0.000 1.167 572 A CA 1.285 53.348 52.037 0.043 0.000 0.698 572 A CB -0.290 18.720 19.000 0.017 0.000 0.779 572 A HN 0.866 nan 8.150 nan 0.000 0.475 573 D N -1.039 119.379 120.400 0.029 0.000 2.349 573 D HA 0.093 4.735 4.640 0.004 0.000 0.214 573 D C 1.288 177.612 176.300 0.040 0.000 1.063 573 D CA 1.165 55.177 54.000 0.020 0.000 0.847 573 D CB 0.712 41.517 40.800 0.009 0.000 0.933 573 D HN 0.507 nan 8.370 nan 0.000 0.513 574 V N -3.086 116.875 119.914 0.078 0.000 3.337 574 V HA 0.351 4.473 4.120 0.004 0.000 0.307 574 V C -0.651 175.584 176.094 0.234 0.000 1.505 574 V CA -0.546 61.820 62.300 0.110 0.000 1.072 574 V CB -0.094 31.775 31.823 0.076 0.000 0.929 574 V HN -0.036 nan 8.190 nan 0.000 0.455 575 Y N 0.705 121.027 120.300 0.037 0.000 2.265 575 Y HA 0.500 5.052 4.550 0.004 0.000 0.325 575 Y C 0.950 176.876 175.900 0.043 0.000 1.190 575 Y CA -1.210 56.944 58.100 0.089 0.000 1.224 575 Y CB 1.339 39.868 38.460 0.115 0.000 1.200 575 Y HN -0.022 nan 8.280 nan 0.000 0.421 576 R N 2.560 122.872 120.500 -0.313 0.000 2.159 576 R HA -0.130 4.212 4.340 0.004 0.000 0.237 576 R C 0.477 176.422 176.300 -0.591 0.000 1.131 576 R CA 1.688 57.507 56.100 -0.469 0.000 0.982 576 R CB -0.105 29.815 30.300 -0.633 0.000 0.868 576 R HN 0.525 nan 8.270 nan 0.000 0.453 577 F N -0.305 119.312 119.950 -0.556 0.000 2.754 577 F HA 0.125 4.654 4.527 0.004 0.000 0.303 577 F C 1.679 177.456 175.800 -0.039 0.000 1.196 577 F CA 0.107 57.907 58.000 -0.333 0.000 1.416 577 F CB 0.103 38.840 39.000 -0.439 0.000 1.092 577 F HN 0.008 nan 8.300 nan 0.000 0.541 578 A N -1.657 121.232 122.820 0.115 0.000 2.288 578 A HA 0.131 4.453 4.320 0.004 0.000 0.216 578 A C 0.999 178.648 177.584 0.107 0.000 1.199 578 A CA -0.126 52.035 52.037 0.207 0.000 0.891 578 A CB -0.003 19.151 19.000 0.257 0.000 0.923 578 A HN -0.005 nan 8.150 nan 0.000 0.500 579 E N 2.273 122.496 120.200 0.039 0.000 2.465 579 E HA 0.109 4.461 4.350 0.004 0.000 0.260 579 E C -2.249 174.387 176.600 0.060 0.000 0.980 579 E CA -1.265 55.147 56.400 0.021 0.000 0.927 579 E CB 0.483 30.164 29.700 -0.032 0.000 0.934 579 E HN 0.347 nan 8.360 nan 0.000 0.459 580 P HA 0.046 nan 4.420 nan 0.000 0.271 580 P C -0.321 177.028 177.300 0.081 0.000 1.218 580 P CA -0.303 62.849 63.100 0.086 0.000 0.780 580 P CB 0.721 32.461 31.700 0.067 0.000 0.901 581 D N 0.465 120.936 120.400 0.118 0.000 2.390 581 D HA 0.231 4.874 4.640 0.004 0.000 0.236 581 D C 0.580 176.924 176.300 0.073 0.000 1.189 581 D CA 0.828 54.893 54.000 0.108 0.000 0.887 581 D CB 0.306 41.220 40.800 0.191 0.000 1.198 581 D HN 0.472 nan 8.370 nan 0.000 0.444 582 S N -0.422 115.303 115.700 0.042 0.000 2.543 582 S HA 0.131 4.603 4.470 0.004 0.000 0.274 582 S C 0.250 174.862 174.600 0.020 0.000 1.149 582 S CA -0.835 57.383 58.200 0.031 0.000 0.866 582 S CB 1.537 64.744 63.200 0.012 0.000 1.111 582 S HN 0.218 nan 8.310 nan 0.000 0.457 583 E N 1.255 121.479 120.200 0.041 0.000 2.501 583 E HA -0.087 4.266 4.350 0.004 0.000 0.203 583 E C 0.663 177.317 176.600 0.091 0.000 1.072 583 E CA 0.890 57.330 56.400 0.066 0.000 0.885 583 E CB -0.069 29.701 29.700 0.116 0.000 0.813 583 E HN 0.793 nan 8.360 nan 0.000 0.556 584 E N -0.370 119.861 120.200 0.053 0.000 2.511 584 E HA 0.048 4.400 4.350 0.004 0.000 0.209 584 E C 1.230 177.833 176.600 0.005 0.000 0.986 584 E CA 0.119 56.552 56.400 0.056 0.000 0.974 584 E CB 0.203 29.921 29.700 0.030 0.000 1.030 584 E HN 0.384 nan 8.360 nan 0.000 0.490 585 N N 0.376 119.062 118.700 -0.023 0.000 2.113 585 N HA 0.170 4.912 4.740 0.004 0.000 0.223 585 N C 0.077 175.533 175.510 -0.090 0.000 1.310 585 N CA -0.109 52.913 53.050 -0.046 0.000 0.896 585 N CB 1.500 39.965 38.487 -0.036 0.000 1.097 585 N HN -0.060 nan 8.380 nan 0.000 0.507 586 I N 1.342 121.832 120.570 -0.133 0.000 2.702 586 I HA 0.376 4.548 4.170 0.004 0.000 0.287 586 I C -1.922 173.966 176.117 -0.381 0.000 1.342 586 I CA -0.640 60.495 61.300 -0.275 0.000 1.063 586 I CB 1.982 39.785 38.000 -0.329 0.000 1.331 586 I HN -0.030 nan 8.210 nan 0.000 0.427 587 I N 7.236 127.574 120.570 -0.386 0.000 2.404 587 I HA 0.414 4.586 4.170 0.004 0.000 0.293 587 I C -0.950 174.931 176.117 -0.393 0.000 0.992 587 I CA -0.547 60.572 61.300 -0.300 0.000 1.149 587 I CB 1.524 39.449 38.000 -0.124 0.000 1.315 587 I HN 0.308 nan 8.210 nan 0.000 0.446 588 F N 3.173 123.135 119.950 0.021 0.000 2.397 588 F HA 0.389 4.919 4.527 0.004 0.000 0.331 588 F C 0.744 176.553 175.800 0.016 0.000 1.090 588 F CA -0.676 57.335 58.000 0.019 0.000 1.065 588 F CB 0.903 39.906 39.000 0.005 0.000 1.184 588 F HN 0.392 nan 8.300 nan 0.000 0.499 589 E N 1.302 121.637 120.200 0.225 0.000 2.392 589 E HA 0.106 4.459 4.350 0.004 0.000 0.259 589 E C -0.124 176.539 176.600 0.104 0.000 1.108 589 E CA -0.160 56.313 56.400 0.121 0.000 0.916 589 E CB 0.493 30.251 29.700 0.097 0.000 0.989 589 E HN 0.346 nan 8.360 nan 0.000 0.432 598 I N -1.039 119.396 120.570 -0.224 0.000 2.836 598 I HA 0.558 4.730 4.170 0.004 0.000 0.285 598 I C -1.999 173.873 176.117 -0.408 0.000 1.174 598 I CA -1.647 59.377 61.300 -0.460 0.000 1.405 598 I CB 0.214 37.914 38.000 -0.499 0.000 1.385 598 I HN -0.092 nan 8.210 nan 0.000 0.594 599 P HA 0.355 nan 4.420 nan 0.000 0.269 599 P C -0.866 176.389 177.300 -0.074 0.000 1.215 599 P CA 0.029 62.926 63.100 -0.339 0.000 0.780 599 P CB 0.582 31.972 31.700 -0.516 0.000 0.898 600 I N 2.444 123.074 120.570 0.100 0.000 2.418 600 I HA 0.252 4.425 4.170 0.004 0.000 0.287 600 I C -0.302 176.013 176.117 0.329 0.000 1.008 600 I CA -0.949 60.471 61.300 0.200 0.000 1.104 600 I CB 1.424 39.496 38.000 0.120 0.000 1.264 600 I HN 0.138 nan 8.210 nan 0.000 0.438 601 I N 6.722 127.509 120.570 0.361 0.000 2.471 601 I HA 0.074 4.246 4.170 0.004 0.000 0.286 601 I C 1.284 177.527 176.117 0.209 0.000 1.079 601 I CA 0.465 61.914 61.300 0.248 0.000 1.398 601 I CB 0.846 38.954 38.000 0.179 0.000 1.403 601 I HN 0.596 nan 8.210 nan 0.000 0.530 602 K N 5.338 125.790 120.400 0.087 0.000 2.099 602 K HA 0.427 4.749 4.320 0.004 0.000 0.203 602 K C 0.424 177.056 176.600 0.053 0.000 1.047 602 K CA 0.758 57.087 56.287 0.069 0.000 0.963 602 K CB 0.363 32.880 32.500 0.028 0.000 0.759 602 K HN 0.737 nan 8.250 nan 0.000 0.451 603 A N -0.518 122.288 122.820 -0.024 0.000 2.593 603 A HA 0.718 5.041 4.320 0.004 0.000 0.290 603 A C -0.825 176.688 177.584 -0.120 0.000 1.126 603 A CA -0.369 51.639 52.037 -0.049 0.000 0.695 603 A CB 1.661 20.626 19.000 -0.060 0.000 1.290 603 A HN 0.377 nan 8.150 nan 0.000 0.414 604 G N -1.005 107.722 108.800 -0.122 0.000 2.316 604 G HA2 0.617 4.579 3.960 0.004 0.000 0.296 604 G HA3 0.617 4.579 3.960 0.004 0.000 0.296 604 G C -0.406 174.428 174.900 -0.111 0.000 1.399 604 G CA 0.343 45.363 45.100 -0.132 0.000 0.833 604 G HN 1.760 nan 8.290 nan 0.000 0.565 605 T N -1.631 112.877 114.554 -0.077 0.000 2.849 605 T HA 0.451 4.804 4.350 0.004 0.000 0.284 605 T C 1.599 176.296 174.700 -0.005 0.000 1.004 605 T CA 0.223 62.297 62.100 -0.044 0.000 1.021 605 T CB 1.489 70.336 68.868 -0.035 0.000 1.013 605 T HN 0.839 nan 8.240 nan 0.000 0.527 606 V N 1.441 121.388 119.914 0.056 0.000 2.332 606 V HA -0.147 3.976 4.120 0.004 0.000 0.248 606 V C 2.605 178.789 176.094 0.151 0.000 1.055 606 V CA 1.439 63.848 62.300 0.182 0.000 1.038 606 V CB -0.834 31.137 31.823 0.246 0.000 0.651 606 V HN 0.782 nan 8.190 nan 0.000 0.450 607 I N -0.180 120.423 120.570 0.055 0.000 2.127 607 I HA -0.225 3.948 4.170 0.004 0.000 0.241 607 I C 2.476 178.630 176.117 0.061 0.000 1.075 607 I CA 1.794 63.090 61.300 -0.007 0.000 1.334 607 I CB -1.035 36.852 38.000 -0.189 0.000 1.040 607 I HN 0.285 nan 8.210 nan 0.000 0.405 608 K N 0.462 120.874 120.400 0.020 0.000 2.097 608 K HA -0.122 4.201 4.320 0.004 0.000 0.206 608 K C 1.900 178.521 176.600 0.035 0.000 1.049 608 K CA 0.827 57.133 56.287 0.031 0.000 0.933 608 K CB -0.495 31.991 32.500 -0.024 0.000 0.717 608 K HN 0.033 nan 8.250 nan 0.000 0.442 609 L N 0.580 121.826 121.223 0.037 0.000 2.046 609 L HA -0.083 4.259 4.340 0.004 0.000 0.208 609 L C 1.901 178.795 176.870 0.040 0.000 1.077 609 L CA 1.600 56.472 54.840 0.053 0.000 0.747 609 L CB -0.434 41.702 42.059 0.129 0.000 0.896 609 L HN 0.197 nan 8.230 nan 0.000 0.432 610 I N -1.197 119.409 120.570 0.059 0.000 2.546 610 I HA -0.232 3.941 4.170 0.004 0.000 0.255 610 I C 2.419 178.468 176.117 -0.113 0.000 1.163 610 I CA 0.762 62.006 61.300 -0.093 0.000 1.457 610 I CB -0.143 37.882 38.000 0.042 0.000 1.092 610 I HN 0.397 nan 8.210 nan 0.000 0.434 611 E N 1.048 121.289 120.200 0.070 0.000 2.072 611 E HA -0.195 4.157 4.350 0.004 0.000 0.191 611 E C 2.255 178.858 176.600 0.005 0.000 0.985 611 E CA 0.848 57.312 56.400 0.106 0.000 0.801 611 E CB 0.202 30.071 29.700 0.281 0.000 0.750 611 E HN 0.282 nan 8.360 nan 0.000 0.452 612 R N 0.416 120.842 120.500 -0.123 0.000 2.148 612 R HA -0.076 4.266 4.340 0.004 0.000 0.223 612 R C 2.418 178.206 176.300 -0.854 0.000 1.088 612 R CA 0.344 56.223 56.100 -0.369 0.000 0.985 612 R CB -0.727 29.373 30.300 -0.333 0.000 0.880 612 R HN 0.257 nan 8.270 nan 0.000 0.451 613 L N 1.499 122.190 121.223 -0.886 0.000 2.187 613 L HA -0.102 4.241 4.340 0.004 0.000 0.213 613 L C 1.070 177.636 176.870 -0.506 0.000 1.100 613 L CA 1.993 56.306 54.840 -0.878 0.000 0.765 613 L CB -0.285 41.437 42.059 -0.562 0.000 0.904 613 L HN 0.217 nan 8.230 nan 0.000 0.437 614 T N -4.371 109.949 114.554 -0.389 0.000 3.487 614 T HA 0.180 4.533 4.350 0.004 0.000 0.287 614 T C 0.078 174.623 174.700 -0.257 0.000 1.004 614 T CA -0.575 61.349 62.100 -0.294 0.000 0.977 614 T CB -0.860 67.836 68.868 -0.286 0.000 1.180 614 T HN 0.095 nan 8.240 nan 0.000 0.490 615 Y N 3.503 123.554 120.300 -0.416 0.000 2.469 615 Y HA 0.132 4.685 4.550 0.004 0.000 0.353 615 Y C 1.887 177.561 175.900 -0.377 0.000 1.269 615 Y CA 0.373 58.239 58.100 -0.390 0.000 1.504 615 Y CB 0.696 38.783 38.460 -0.621 0.000 1.369 615 Y HN 0.510 nan 8.280 nan 0.000 0.654 616 H N 0.700 119.237 119.070 -0.887 0.000 2.827 616 H HA 0.118 4.676 4.556 0.004 0.000 0.269 616 H C 1.033 176.109 175.328 -0.420 0.000 1.031 616 H CA 0.369 56.032 56.048 -0.642 0.000 1.202 616 H CB 0.096 29.389 29.762 -0.782 0.000 1.511 616 H HN 0.569 nan 8.280 nan 0.000 0.517 617 M N 0.877 119.935 119.600 -0.903 0.000 2.248 617 M HA 0.109 4.592 4.480 0.004 0.000 0.265 617 M C 0.241 176.480 176.300 -0.101 0.000 1.079 617 M CA 0.765 55.813 55.300 -0.420 0.000 1.150 617 M CB -0.326 32.236 32.600 -0.064 0.000 1.366 617 M HN 0.304 nan 8.290 nan 0.000 0.433 618 Y N -2.477 117.827 120.300 0.006 0.000 2.677 618 Y HA 0.798 5.350 4.550 0.004 0.000 0.334 618 Y C -0.974 174.923 175.900 -0.006 0.000 1.154 618 Y CA -2.438 55.657 58.100 -0.008 0.000 1.070 618 Y CB 0.519 38.975 38.460 -0.007 0.000 1.294 618 Y HN -0.064 nan 8.280 nan 0.000 0.475 619 A N 0.765 123.732 122.820 0.246 0.000 2.324 619 A HA 0.537 4.859 4.320 0.004 0.000 0.330 619 A C -1.419 176.315 177.584 0.249 0.000 1.165 619 A CA -0.490 51.638 52.037 0.152 0.000 0.813 619 A CB 0.860 19.909 19.000 0.081 0.000 1.197 619 A HN 0.727 nan 8.150 nan 0.000 0.484 620 D N 2.742 123.271 120.400 0.215 0.000 2.454 620 D HA 0.394 5.037 4.640 0.004 0.000 0.247 620 D C -1.884 174.530 176.300 0.190 0.000 1.129 620 D CA -1.439 52.711 54.000 0.249 0.000 0.877 620 D CB 1.684 42.716 40.800 0.386 0.000 1.082 620 D HN 0.150 nan 8.370 nan 0.000 0.537 621 P HA -0.074 nan 4.420 nan 0.000 0.219 621 P C 0.611 177.971 177.300 0.100 0.000 1.144 621 P CA 0.913 64.071 63.100 0.097 0.000 0.806 621 P CB 0.445 32.187 31.700 0.070 0.000 0.771 622 N N -3.211 115.572 118.700 0.137 0.000 2.210 622 N HA 0.117 4.860 4.740 0.004 0.000 0.203 622 N C 1.194 176.813 175.510 0.181 0.000 1.175 622 N CA -0.163 52.958 53.050 0.117 0.000 0.894 622 N CB -0.215 38.311 38.487 0.064 0.000 1.041 622 N HN 0.118 nan 8.380 nan 0.000 0.506 623 F N 2.193 122.232 119.950 0.148 0.000 2.065 623 F HA -0.247 4.283 4.527 0.004 0.000 0.298 623 F C 2.281 178.209 175.800 0.214 0.000 1.112 623 F CA 1.345 59.482 58.000 0.229 0.000 1.212 623 F CB -0.047 39.062 39.000 0.182 0.000 0.975 623 F HN -0.244 nan 8.300 nan 0.000 0.476 624 V N 0.526 120.668 119.914 0.380 0.000 2.252 624 V HA -0.376 3.746 4.120 0.004 0.000 0.249 624 V C 2.455 178.671 176.094 0.204 0.000 1.056 624 V CA 2.434 64.868 62.300 0.223 0.000 1.022 624 V CB -0.807 31.027 31.823 0.018 0.000 0.641 624 V HN 0.313 nan 8.190 nan 0.000 0.445 625 R N -0.326 120.257 120.500 0.139 0.000 2.070 625 R HA -0.173 4.169 4.340 0.004 0.000 0.233 625 R C 2.441 178.832 176.300 0.151 0.000 1.137 625 R CA 2.199 58.393 56.100 0.156 0.000 0.945 625 R CB -0.623 29.738 30.300 0.101 0.000 0.845 625 R HN 0.568 nan 8.270 nan 0.000 0.430 626 T N 0.848 115.470 114.554 0.113 0.000 2.665 626 T HA -0.220 4.132 4.350 0.004 0.000 0.268 626 T C 1.391 176.165 174.700 0.122 0.000 1.035 626 T CA 1.809 63.931 62.100 0.037 0.000 1.151 626 T CB -0.457 68.355 68.868 -0.093 0.000 0.862 626 T HN 0.258 nan 8.240 nan 0.000 0.438 627 F N 1.487 121.527 119.950 0.151 0.000 2.051 627 F HA 0.013 4.542 4.527 0.004 0.000 0.296 627 F C 2.046 177.891 175.800 0.076 0.000 1.122 627 F CA 1.172 59.306 58.000 0.223 0.000 1.201 627 F CB -0.485 38.678 39.000 0.273 0.000 0.978 627 F HN 0.024 nan 8.300 nan 0.000 0.472 628 L N -0.590 120.769 121.223 0.226 0.000 2.261 628 L HA -0.222 4.120 4.340 0.004 0.000 0.216 628 L C 2.086 178.787 176.870 -0.282 0.000 1.114 628 L CA 1.587 56.343 54.840 -0.140 0.000 0.777 628 L CB -0.944 40.955 42.059 -0.267 0.000 0.910 628 L HN 0.214 nan 8.230 nan 0.000 0.440 629 T N -2.075 112.437 114.554 -0.070 0.000 3.014 629 T HA -0.068 4.285 4.350 0.004 0.000 0.263 629 T C 1.748 176.424 174.700 -0.040 0.000 1.078 629 T CA 1.583 63.694 62.100 0.018 0.000 1.135 629 T CB 0.020 68.951 68.868 0.104 0.000 0.895 629 T HN 0.523 nan 8.240 nan 0.000 0.480 630 T N -0.708 113.788 114.554 -0.096 0.000 2.975 630 T HA 0.088 4.441 4.350 0.004 0.000 0.261 630 T C 1.787 176.274 174.700 -0.354 0.000 0.984 630 T CA -0.198 61.813 62.100 -0.149 0.000 0.911 630 T CB -0.601 68.234 68.868 -0.054 0.000 1.127 630 T HN 0.454 nan 8.240 nan 0.000 0.514 631 Y N 2.873 122.724 120.300 -0.748 0.000 2.241 631 Y HA -0.024 4.529 4.550 0.004 0.000 0.286 631 Y C 2.131 177.362 175.900 -1.115 0.000 1.166 631 Y CA 0.914 58.139 58.100 -1.459 0.000 1.203 631 Y CB -0.708 36.770 38.460 -1.636 0.000 0.977 631 Y HN 0.057 nan 8.280 nan 0.000 0.529 632 R N 0.854 120.454 120.500 -1.499 0.000 2.261 632 R HA -0.152 4.191 4.340 0.004 0.000 0.236 632 R C 2.392 178.378 176.300 -0.522 0.000 1.141 632 R CA 1.433 56.910 56.100 -1.037 0.000 1.001 632 R CB -0.531 29.300 30.300 -0.782 0.000 0.866 632 R HN 0.688 nan 8.270 nan 0.000 0.468 633 S N 0.300 115.760 115.700 -0.401 0.000 2.436 633 S HA -0.080 4.392 4.470 0.004 0.000 0.228 633 S C 1.328 175.919 174.600 -0.015 0.000 1.014 633 S CA 0.393 58.510 58.200 -0.139 0.000 0.950 633 S CB -0.137 63.054 63.200 -0.015 0.000 0.784 633 S HN 0.525 nan 8.310 nan 0.000 0.504 634 F N -0.434 119.459 119.950 -0.094 0.000 2.724 634 F HA 0.721 5.250 4.527 0.004 0.000 0.310 634 F C -0.015 175.790 175.800 0.009 0.000 1.107 634 F CA -1.563 56.417 58.000 -0.033 0.000 1.218 634 F CB -0.155 38.837 39.000 -0.014 0.000 1.042 634 F HN 0.304 nan 8.300 nan 0.000 0.540 635 C N 1.719 120.902 119.300 -0.195 0.000 3.146 635 C HA 0.367 4.829 4.460 0.004 0.000 0.405 635 C C -0.799 174.170 174.990 -0.036 0.000 1.012 635 C CA -1.024 57.971 59.018 -0.038 0.000 1.217 635 C CB 0.834 28.584 27.740 0.016 0.000 1.599 635 C HN 0.465 nan 8.230 nan 0.000 0.567 636 K N 4.827 125.247 120.400 0.033 0.000 2.202 636 K HA 0.272 4.594 4.320 0.004 0.000 0.264 636 K C -1.711 174.983 176.600 0.157 0.000 1.010 636 K CA -1.000 55.312 56.287 0.041 0.000 0.940 636 K CB 1.068 33.591 32.500 0.038 0.000 0.983 636 K HN 0.420 nan 8.250 nan 0.000 0.475 637 P HA -0.222 nan 4.420 nan 0.000 0.214 637 P C 1.008 178.448 177.300 0.233 0.000 1.163 637 P CA 1.279 64.558 63.100 0.298 0.000 0.889 637 P CB 0.243 32.055 31.700 0.186 0.000 0.790 638 Q N -0.558 119.320 119.800 0.130 0.000 2.197 638 Q HA -0.243 4.099 4.340 0.004 0.000 0.207 638 Q C 2.123 178.184 176.000 0.102 0.000 0.984 638 Q CA 1.626 57.487 55.803 0.098 0.000 0.869 638 Q CB -0.611 28.181 28.738 0.090 0.000 0.906 638 Q HN 0.359 nan 8.270 nan 0.000 0.426 639 E N 0.573 120.836 120.200 0.106 0.000 2.158 639 E HA -0.035 4.317 4.350 0.004 0.000 0.191 639 E C 1.880 178.535 176.600 0.090 0.000 0.982 639 E CA 0.200 56.655 56.400 0.092 0.000 0.823 639 E CB -0.234 29.519 29.700 0.089 0.000 0.766 639 E HN 0.243 nan 8.360 nan 0.000 0.468 640 L N 0.228 121.505 121.223 0.089 0.000 2.042 640 L HA -0.148 4.194 4.340 0.004 0.000 0.210 640 L C 2.174 179.068 176.870 0.040 0.000 1.076 640 L CA 1.349 56.177 54.840 -0.021 0.000 0.749 640 L CB -0.326 41.525 42.059 -0.346 0.000 0.893 640 L HN 0.338 nan 8.230 nan 0.000 0.432 641 L N -0.483 120.864 121.223 0.206 0.000 2.027 641 L HA -0.167 4.176 4.340 0.004 0.000 0.206 641 L C 2.579 179.444 176.870 -0.008 0.000 1.074 641 L CA 1.939 56.890 54.840 0.185 0.000 0.745 641 L CB -0.614 41.539 42.059 0.157 0.000 0.898 641 L HN 0.144 nan 8.230 nan 0.000 0.433 642 S N -0.356 115.352 115.700 0.013 0.000 2.370 642 S HA -0.169 4.303 4.470 0.004 0.000 0.226 642 S C 1.955 176.563 174.600 0.014 0.000 1.033 642 S CA 1.717 59.915 58.200 -0.004 0.000 1.011 642 S CB -0.490 62.731 63.200 0.036 0.000 0.852 642 S HN 0.453 nan 8.310 nan 0.000 0.457 643 L N 1.336 122.592 121.223 0.054 0.000 2.093 643 L HA -0.057 4.285 4.340 0.004 0.000 0.208 643 L C 2.332 179.223 176.870 0.035 0.000 1.085 643 L CA 1.113 56.032 54.840 0.131 0.000 0.755 643 L CB -0.650 41.506 42.059 0.161 0.000 0.904 643 L HN 0.435 nan 8.230 nan 0.000 0.435 644 I N -3.198 117.325 120.570 -0.077 0.000 2.617 644 I HA -0.150 4.022 4.170 0.004 0.000 0.256 644 I C 2.248 178.252 176.117 -0.187 0.000 1.167 644 I CA 1.118 62.321 61.300 -0.162 0.000 1.469 644 I CB -0.267 37.657 38.000 -0.128 0.000 1.098 644 I HN 0.077 nan 8.210 nan 0.000 0.436 645 I N 1.563 121.962 120.570 -0.287 0.000 2.286 645 I HA -0.193 3.979 4.170 0.004 0.000 0.245 645 I C 2.689 178.788 176.117 -0.030 0.000 1.104 645 I CA 1.365 62.402 61.300 -0.438 0.000 1.397 645 I CB -0.332 37.330 38.000 -0.565 0.000 1.072 645 I HN 0.308 nan 8.210 nan 0.000 0.417 646 E N 1.070 121.291 120.200 0.035 0.000 2.110 646 E HA -0.290 4.062 4.350 0.004 0.000 0.193 646 E C 2.260 179.003 176.600 0.238 0.000 0.988 646 E CA 1.153 57.667 56.400 0.190 0.000 0.804 646 E CB 0.080 29.935 29.700 0.258 0.000 0.745 646 E HN 0.258 nan 8.360 nan 0.000 0.458 647 R N -0.471 119.989 120.500 -0.066 0.000 2.115 647 R HA -0.101 4.242 4.340 0.004 0.000 0.226 647 R C 1.993 178.313 176.300 0.034 0.000 1.100 647 R CA 1.052 56.900 56.100 -0.420 0.000 0.980 647 R CB -0.435 29.280 30.300 -0.975 0.000 0.875 647 R HN 0.195 nan 8.270 nan 0.000 0.445 648 F N 1.633 121.563 119.950 -0.033 0.000 2.259 648 F HA 0.044 4.573 4.527 0.004 0.000 0.298 648 F C 0.479 176.347 175.800 0.113 0.000 1.088 648 F CA 0.725 58.760 58.000 0.059 0.000 1.358 648 F CB 0.284 39.400 39.000 0.194 0.000 1.040 648 F HN -0.029 nan 8.300 nan 0.000 0.505 649 E N 2.552 122.953 120.200 0.334 0.000 2.148 649 E HA 0.104 4.457 4.350 0.004 0.000 0.308 649 E C -0.152 176.523 176.600 0.125 0.000 1.278 649 E CA 0.102 56.649 56.400 0.245 0.000 1.368 649 E CB -0.718 29.148 29.700 0.277 0.000 1.229 649 E HN 0.427 nan 8.360 nan 0.000 0.494 650 I N 4.008 124.527 120.570 -0.084 0.000 2.396 650 I HA 0.078 4.250 4.170 0.004 0.000 0.289 650 I C -1.590 174.422 176.117 -0.175 0.000 1.056 650 I CA -1.754 59.348 61.300 -0.330 0.000 1.365 650 I CB 0.296 38.104 38.000 -0.321 0.000 1.407 650 I HN -0.028 nan 8.210 nan 0.000 0.509 651 P HA 0.118 nan 4.420 nan 0.000 0.271 651 P C -0.581 176.674 177.300 -0.076 0.000 1.216 651 P CA -0.259 62.793 63.100 -0.080 0.000 0.771 651 P CB 0.766 32.430 31.700 -0.059 0.000 0.864 652 E N 3.804 123.978 120.200 -0.043 0.000 2.354 652 E HA 0.164 4.517 4.350 0.004 0.000 0.269 652 E C -1.598 174.919 176.600 -0.138 0.000 1.036 652 E CA -1.385 54.989 56.400 -0.042 0.000 0.876 652 E CB 0.234 29.927 29.700 -0.013 0.000 1.009 652 E HN 0.461 nan 8.360 nan 0.000 0.416 653 P HA 0.034 nan 4.420 nan 0.000 0.271 653 P C -0.640 176.549 177.300 -0.185 0.000 1.216 653 P CA 0.072 62.981 63.100 -0.319 0.000 0.776 653 P CB 0.730 32.106 31.700 -0.540 0.000 0.881 654 E N 3.066 123.172 120.200 -0.157 0.000 2.418 654 E HA 0.113 4.466 4.350 0.004 0.000 0.261 654 E C -1.865 174.677 176.600 -0.098 0.000 1.070 654 E CA -1.183 55.154 56.400 -0.104 0.000 0.931 654 E CB -0.622 29.025 29.700 -0.089 0.000 0.954 654 E HN 0.418 nan 8.360 nan 0.000 0.439 655 P HA -0.062 nan 4.420 nan 0.000 0.267 655 P C -0.221 177.043 177.300 -0.059 0.000 1.200 655 P CA 0.003 63.068 63.100 -0.057 0.000 0.772 655 P CB 0.441 32.116 31.700 -0.040 0.000 0.855 656 T N -1.480 113.043 114.554 -0.053 0.000 2.729 656 T HA 0.092 4.444 4.350 0.004 0.000 0.298 656 T C 1.217 175.895 174.700 -0.037 0.000 1.013 656 T CA -0.112 61.959 62.100 -0.049 0.000 0.957 656 T CB 0.419 69.261 68.868 -0.043 0.000 1.130 656 T HN 0.294 nan 8.240 nan 0.000 0.526 657 E N 0.213 120.394 120.200 -0.032 0.000 2.150 657 E HA 0.041 4.394 4.350 0.004 0.000 0.193 657 E C 2.234 178.821 176.600 -0.021 0.000 0.985 657 E CA 1.503 57.888 56.400 -0.025 0.000 0.814 657 E CB -0.953 28.733 29.700 -0.022 0.000 0.752 657 E HN 0.738 nan 8.360 nan 0.000 0.466 658 A N 0.985 123.793 122.820 -0.020 0.000 1.877 658 A HA -0.207 4.116 4.320 0.004 0.000 0.216 658 A C 1.928 179.503 177.584 -0.016 0.000 1.186 658 A CA 1.832 53.859 52.037 -0.016 0.000 0.620 658 A CB -0.762 18.229 19.000 -0.014 0.000 0.822 658 A HN 0.280 nan 8.150 nan 0.000 0.443 659 D N -0.334 120.054 120.400 -0.019 0.000 2.106 659 D HA -0.183 4.459 4.640 0.004 0.000 0.191 659 D C 2.166 178.456 176.300 -0.017 0.000 0.997 659 D CA 1.517 55.505 54.000 -0.019 0.000 0.834 659 D CB -0.389 40.397 40.800 -0.024 0.000 0.956 659 D HN 0.449 nan 8.370 nan 0.000 0.448 660 R N 0.291 120.780 120.500 -0.020 0.000 2.091 660 R HA -0.092 4.251 4.340 0.004 0.000 0.238 660 R C 2.669 178.961 176.300 -0.014 0.000 1.136 660 R CA 0.799 56.889 56.100 -0.018 0.000 0.959 660 R CB -0.351 29.937 30.300 -0.020 0.000 0.856 660 R HN 0.272 nan 8.270 nan 0.000 0.437 661 I N 0.558 121.120 120.570 -0.014 0.000 2.163 661 I HA -0.295 3.878 4.170 0.004 0.000 0.243 661 I C 2.667 178.778 176.117 -0.010 0.000 1.085 661 I CA 1.361 62.654 61.300 -0.011 0.000 1.347 661 I CB -0.514 37.479 38.000 -0.011 0.000 1.044 661 I HN 0.222 nan 8.210 nan 0.000 0.408 662 A N 1.309 124.123 122.820 -0.010 0.000 1.858 662 A HA -0.183 4.139 4.320 0.004 0.000 0.216 662 A C 2.300 179.879 177.584 -0.008 0.000 1.190 662 A CA 1.569 53.601 52.037 -0.008 0.000 0.617 662 A CB -0.927 18.068 19.000 -0.008 0.000 0.827 662 A HN 0.366 nan 8.150 nan 0.000 0.443 663 I N -0.228 120.337 120.570 -0.009 0.000 2.194 663 I HA -0.299 3.874 4.170 0.004 0.000 0.246 663 I C 2.192 178.304 176.117 -0.008 0.000 1.093 663 I CA 1.808 63.103 61.300 -0.009 0.000 1.355 663 I CB -0.498 37.495 38.000 -0.011 0.000 1.046 663 I HN 0.429 nan 8.210 nan 0.000 0.413 664 E N 0.464 120.659 120.200 -0.009 0.000 2.516 664 E HA -0.095 4.258 4.350 0.004 0.000 0.199 664 E C 0.862 177.458 176.600 -0.007 0.000 1.069 664 E CA 0.291 56.686 56.400 -0.008 0.000 0.876 664 E CB 0.004 29.699 29.700 -0.009 0.000 0.843 664 E HN 0.452 nan 8.360 nan 0.000 0.530 665 N N -0.537 118.159 118.700 -0.006 0.000 2.200 665 N HA 0.063 4.806 4.740 0.004 0.000 0.224 665 N C 0.547 176.054 175.510 -0.005 0.000 1.179 665 N CA 0.622 53.669 53.050 -0.005 0.000 0.877 665 N CB 1.635 40.119 38.487 -0.005 0.000 1.072 665 N HN 0.192 nan 8.380 nan 0.000 0.519 666 G N 1.123 109.920 108.800 -0.005 0.000 2.143 666 G HA2 -0.213 3.749 3.960 0.004 0.000 0.248 666 G HA3 -0.213 3.749 3.960 0.004 0.000 0.248 666 G C -0.492 174.406 174.900 -0.004 0.000 0.991 666 G CA 0.142 45.240 45.100 -0.004 0.000 0.689 666 G HN 0.269 nan 8.290 nan 0.000 0.522 667 D N -0.439 119.958 120.400 -0.005 0.000 2.326 667 D HA 0.423 5.065 4.640 0.004 0.000 0.248 667 D C 0.405 176.703 176.300 -0.005 0.000 1.001 667 D CA -0.457 53.540 54.000 -0.004 0.000 0.961 667 D CB 0.892 41.689 40.800 -0.004 0.000 1.183 667 D HN 0.332 nan 8.370 nan 0.000 0.502 668 Q N 0.885 120.683 119.800 -0.004 0.000 2.304 668 Q HA 0.273 4.615 4.340 0.004 0.000 0.260 668 Q C -2.323 173.674 176.000 -0.005 0.000 0.965 668 Q CA -1.339 54.461 55.803 -0.004 0.000 0.898 668 Q CB 0.776 29.512 28.738 -0.003 0.000 1.196 668 Q HN 0.030 nan 8.270 nan 0.000 0.402 669 P HA 0.020 nan 4.420 nan 0.000 0.275 669 P C 0.094 177.391 177.300 -0.005 0.000 1.228 669 P CA -0.078 63.018 63.100 -0.007 0.000 0.786 669 P CB 0.740 32.434 31.700 -0.010 0.000 0.927 670 L N 0.901 122.121 121.223 -0.005 0.000 2.109 670 L HA -0.115 4.228 4.340 0.004 0.000 0.207 670 L C 0.551 177.421 176.870 -0.002 0.000 1.086 670 L CA 0.919 55.758 54.840 -0.003 0.000 0.760 670 L CB -0.494 41.563 42.059 -0.002 0.000 0.910 670 L HN 0.459 nan 8.230 nan 0.000 0.437 671 S N -0.601 115.097 115.700 -0.005 0.000 3.706 671 S HA -0.231 4.241 4.470 0.004 0.000 0.363 671 S C 1.268 175.869 174.600 0.003 0.000 0.999 671 S CA 0.362 58.559 58.200 -0.004 0.000 1.143 671 S CB -1.238 61.962 63.200 -0.001 0.000 0.902 671 S HN 0.578 nan 8.310 nan 0.000 0.476 672 A N 0.773 123.593 122.820 0.001 0.000 1.883 672 A HA -0.185 4.138 4.320 0.004 0.000 0.217 672 A C 1.947 179.540 177.584 0.015 0.000 1.186 672 A CA 1.850 53.891 52.037 0.007 0.000 0.624 672 A CB -0.336 18.666 19.000 0.003 0.000 0.822 672 A HN 0.724 nan 8.150 nan 0.000 0.444 673 E N -1.000 119.204 120.200 0.007 0.000 2.072 673 E HA -0.109 4.243 4.350 0.004 0.000 0.190 673 E C 1.958 178.585 176.600 0.044 0.000 0.982 673 E CA 0.921 57.330 56.400 0.014 0.000 0.803 673 E CB -0.207 29.479 29.700 -0.023 0.000 0.755 673 E HN 0.486 nan 8.360 nan 0.000 0.453 674 L N 1.804 123.041 121.223 0.023 0.000 2.042 674 L HA -0.209 4.134 4.340 0.004 0.000 0.210 674 L C 1.855 178.783 176.870 0.096 0.000 1.076 674 L CA 1.860 56.733 54.840 0.056 0.000 0.749 674 L CB -0.099 41.971 42.059 0.017 0.000 0.893 674 L HN -0.090 nan 8.230 nan 0.000 0.432 675 K N -0.984 119.449 120.400 0.055 0.000 2.097 675 K HA -0.176 4.146 4.320 0.004 0.000 0.205 675 K C 2.291 178.919 176.600 0.047 0.000 1.050 675 K CA 1.384 57.696 56.287 0.042 0.000 0.938 675 K CB -0.216 32.298 32.500 0.024 0.000 0.718 675 K HN 0.311 nan 8.250 nan 0.000 0.442 676 R N 0.313 120.851 120.500 0.064 0.000 2.090 676 R HA -0.105 4.238 4.340 0.004 0.000 0.228 676 R C 2.091 178.447 176.300 0.093 0.000 1.110 676 R CA 1.017 57.155 56.100 0.063 0.000 0.973 676 R CB -0.228 30.111 30.300 0.064 0.000 0.869 676 R HN 0.115 nan 8.270 nan 0.000 0.440 677 F N 1.570 121.502 119.950 -0.030 0.000 2.269 677 F HA -0.086 4.444 4.527 0.004 0.000 0.301 677 F C 1.955 177.746 175.800 -0.017 0.000 1.082 677 F CA 1.428 59.404 58.000 -0.040 0.000 1.360 677 F CB 0.067 39.012 39.000 -0.091 0.000 1.041 677 F HN -0.050 nan 8.300 nan 0.000 0.512 678 R N -0.219 120.248 120.500 -0.055 0.000 2.100 678 R HA -0.054 4.288 4.340 0.004 0.000 0.220 678 R C 2.261 178.473 176.300 -0.146 0.000 1.091 678 R CA 1.043 57.058 56.100 -0.142 0.000 0.986 678 R CB -0.285 29.989 30.300 -0.043 0.000 0.888 678 R HN 0.191 nan 8.270 nan 0.000 0.444 679 K N 1.065 121.417 120.400 -0.079 0.000 2.155 679 K HA -0.114 4.208 4.320 0.004 0.000 0.203 679 K C 1.150 177.699 176.600 -0.083 0.000 1.052 679 K CA 1.296 57.543 56.287 -0.066 0.000 0.948 679 K CB 0.322 32.807 32.500 -0.025 0.000 0.728 679 K HN 0.177 nan 8.250 nan 0.000 0.448 680 E N -1.972 118.180 120.200 -0.080 0.000 2.460 680 E HA -0.040 4.312 4.350 0.004 0.000 0.200 680 E C 0.643 177.207 176.600 -0.060 0.000 1.011 680 E CA 0.197 56.571 56.400 -0.043 0.000 0.912 680 E CB 0.428 30.148 29.700 0.033 0.000 0.953 680 E HN 0.269 nan 8.360 nan 0.000 0.494 681 Y N -0.092 119.954 120.300 -0.423 0.000 2.921 681 Y HA 0.209 4.762 4.550 0.004 0.000 0.246 681 Y C 1.734 177.256 175.900 -0.630 0.000 1.030 681 Y CA 0.053 57.773 58.100 -0.634 0.000 1.338 681 Y CB 0.236 38.046 38.460 -1.083 0.000 1.493 681 Y HN -0.171 nan 8.280 nan 0.000 0.452 682 I N 0.660 120.912 120.570 -0.529 0.000 2.113 682 I HA -0.351 3.822 4.170 0.004 0.000 0.238 682 I C 2.135 178.026 176.117 -0.376 0.000 1.070 682 I CA 1.925 62.969 61.300 -0.426 0.000 1.332 682 I CB -0.533 37.257 38.000 -0.350 0.000 1.044 682 I HN 0.351 nan 8.210 nan 0.000 0.402 683 Q N 0.351 119.972 119.800 -0.297 0.000 2.061 683 Q HA -0.192 4.151 4.340 0.004 0.000 0.204 683 Q C -0.322 175.508 176.000 -0.284 0.000 0.984 683 Q CA 2.101 57.752 55.803 -0.252 0.000 0.846 683 Q CB -1.051 27.582 28.738 -0.175 0.000 0.902 683 Q HN 0.400 nan 8.270 nan 0.000 0.421 684 P HA -0.167 nan 4.420 nan 0.000 0.215 684 P C 1.288 178.395 177.300 -0.323 0.000 1.157 684 P CA 1.147 64.079 63.100 -0.280 0.000 0.868 684 P CB 0.027 31.572 31.700 -0.258 0.000 0.788 685 V N -0.248 119.414 119.914 -0.421 0.000 2.261 685 V HA -0.275 3.847 4.120 0.004 0.000 0.246 685 V C 2.511 178.420 176.094 -0.308 0.000 1.047 685 V CA 1.870 63.915 62.300 -0.425 0.000 1.015 685 V CB -1.264 30.206 31.823 -0.589 0.000 0.642 685 V HN 0.171 nan 8.190 nan 0.000 0.446 686 Q N -0.667 118.923 119.800 -0.350 0.000 2.124 686 Q HA -0.147 4.196 4.340 0.004 0.000 0.202 686 Q C 2.344 178.298 176.000 -0.076 0.000 0.977 686 Q CA 1.415 57.035 55.803 -0.305 0.000 0.850 686 Q CB -0.207 28.172 28.738 -0.598 0.000 0.901 686 Q HN 0.533 nan 8.270 nan 0.000 0.429 687 L N 0.146 121.241 121.223 -0.214 0.000 2.083 687 L HA -0.188 4.154 4.340 0.004 0.000 0.209 687 L C 2.451 179.202 176.870 -0.198 0.000 1.083 687 L CA 1.211 55.876 54.840 -0.291 0.000 0.752 687 L CB -0.178 41.613 42.059 -0.447 0.000 0.899 687 L HN 0.166 nan 8.230 nan 0.000 0.433 688 R N -1.192 119.204 120.500 -0.173 0.000 2.148 688 R HA -0.078 4.264 4.340 0.004 0.000 0.223 688 R C 2.152 178.413 176.300 -0.065 0.000 1.088 688 R CA 0.652 56.675 56.100 -0.128 0.000 0.985 688 R CB -0.111 30.087 30.300 -0.171 0.000 0.880 688 R HN 0.173 nan 8.270 nan 0.000 0.451 689 V N 1.237 121.138 119.914 -0.022 0.000 2.358 689 V HA -0.195 3.927 4.120 0.004 0.000 0.246 689 V C 2.145 178.320 176.094 0.135 0.000 1.047 689 V CA 1.517 63.853 62.300 0.061 0.000 1.035 689 V CB -0.271 31.672 31.823 0.201 0.000 0.658 689 V HN 0.294 nan 8.190 nan 0.000 0.452 690 L N 0.206 121.517 121.223 0.146 0.000 2.141 690 L HA -0.161 4.182 4.340 0.004 0.000 0.209 690 L C 2.389 179.319 176.870 0.101 0.000 1.094 690 L CA 1.559 56.471 54.840 0.120 0.000 0.763 690 L CB -0.683 41.420 42.059 0.073 0.000 0.908 690 L HN 0.394 nan 8.230 nan 0.000 0.437 691 N N -0.044 118.696 118.700 0.067 0.000 2.188 691 N HA -0.137 4.605 4.740 0.004 0.000 0.184 691 N C 1.694 177.354 175.510 0.250 0.000 1.018 691 N CA 1.021 54.155 53.050 0.139 0.000 0.858 691 N CB -0.011 38.529 38.487 0.089 0.000 0.989 691 N HN 0.027 nan 8.380 nan 0.000 0.426 692 V N -0.311 119.704 119.914 0.169 0.000 2.427 692 V HA -0.237 3.886 4.120 0.004 0.000 0.248 692 V C 2.463 178.757 176.094 0.334 0.000 1.051 692 V CA 1.276 63.692 62.300 0.194 0.000 1.048 692 V CB -0.637 31.213 31.823 0.046 0.000 0.666 692 V HN 0.459 nan 8.190 nan 0.000 0.456 693 C N -0.400 119.080 119.300 0.299 0.000 2.429 693 C HA -0.139 4.324 4.460 0.004 0.000 0.277 693 C C 2.945 178.082 174.990 0.246 0.000 1.262 693 C CA 1.410 60.624 59.018 0.326 0.000 1.733 693 C CB -1.052 26.823 27.740 0.225 0.000 2.010 693 C HN 0.565 nan 8.230 nan 0.000 0.483 694 R N -0.212 120.390 120.500 0.171 0.000 2.073 694 R HA -0.136 4.207 4.340 0.004 0.000 0.234 694 R C 2.281 178.609 176.300 0.047 0.000 1.134 694 R CA 1.539 57.673 56.100 0.057 0.000 0.952 694 R CB -0.472 29.833 30.300 0.010 0.000 0.850 694 R HN 0.650 nan 8.270 nan 0.000 0.433 695 H N -1.248 117.935 119.070 0.188 0.000 2.357 695 H HA -0.179 4.380 4.556 0.004 0.000 0.301 695 H C 1.772 177.356 175.328 0.426 0.000 1.082 695 H CA 1.556 57.750 56.048 0.243 0.000 1.342 695 H CB -0.363 29.584 29.762 0.308 0.000 1.389 695 H HN 0.391 nan 8.280 nan 0.000 0.511 696 W N 2.146 123.679 121.300 0.390 0.000 2.317 696 W HA -0.216 4.447 4.660 0.004 0.000 0.318 696 W C 2.265 179.056 176.519 0.453 0.000 1.227 696 W CA 1.322 58.930 57.345 0.438 0.000 1.269 696 W CB -0.841 28.817 29.460 0.330 0.000 1.155 696 W HN -0.111 nan 8.180 nan 0.000 0.484 697 V N 0.674 120.811 119.914 0.372 0.000 2.343 697 V HA -0.282 3.840 4.120 0.004 0.000 0.247 697 V C 2.301 178.472 176.094 0.128 0.000 1.051 697 V CA 2.358 64.719 62.300 0.102 0.000 1.036 697 V CB -0.852 30.865 31.823 -0.178 0.000 0.654 697 V HN 0.134 nan 8.190 nan 0.000 0.451 698 E N -0.512 119.671 120.200 -0.029 0.000 2.015 698 E HA -0.187 4.165 4.350 0.004 0.000 0.191 698 E C 1.758 178.231 176.600 -0.212 0.000 0.991 698 E CA 1.656 57.894 56.400 -0.270 0.000 0.802 698 E CB -0.096 29.241 29.700 -0.606 0.000 0.759 698 E HN 0.771 nan 8.360 nan 0.000 0.447 699 H N -1.931 117.196 119.070 0.095 0.000 2.594 699 H HA 0.198 4.756 4.556 0.004 0.000 0.279 699 H C -0.049 175.104 175.328 -0.292 0.000 1.042 699 H CA -0.026 55.965 56.048 -0.096 0.000 1.177 699 H CB 0.570 30.223 29.762 -0.181 0.000 1.524 699 H HN 0.131 nan 8.280 nan 0.000 0.537 700 H N -0.898 118.471 119.070 0.498 0.000 2.885 700 H HA -0.011 4.548 4.556 0.004 0.000 0.237 700 H C 0.444 175.953 175.328 0.301 0.000 1.229 700 H CA -0.274 56.022 56.048 0.413 0.000 0.947 700 H CB -0.174 29.837 29.762 0.415 0.000 2.223 700 H HN 0.290 nan 8.280 nan 0.000 0.628 701 F N 2.041 122.192 119.950 0.334 0.000 2.307 701 F HA -0.255 4.274 4.527 0.004 0.000 0.301 701 F C 2.163 178.142 175.800 0.300 0.000 1.076 701 F CA 1.202 59.408 58.000 0.343 0.000 1.383 701 F CB -0.180 38.935 39.000 0.192 0.000 1.055 701 F HN 0.278 nan 8.300 nan 0.000 0.526 702 Y N -1.446 119.009 120.300 0.260 0.000 2.256 702 Y HA -0.213 4.339 4.550 0.004 0.000 0.288 702 Y C 2.031 177.923 175.900 -0.013 0.000 1.155 702 Y CA 1.224 59.386 58.100 0.104 0.000 1.203 702 Y CB -1.505 37.034 38.460 0.131 0.000 0.980 702 Y HN -0.046 nan 8.280 nan 0.000 0.530 703 D N 0.647 120.752 120.400 -0.493 0.000 2.149 703 D HA -0.170 4.472 4.640 0.004 0.000 0.198 703 D C 1.641 177.611 176.300 -0.550 0.000 0.990 703 D CA 1.547 55.266 54.000 -0.468 0.000 0.839 703 D CB -0.432 40.101 40.800 -0.445 0.000 0.948 703 D HN 0.482 nan 8.370 nan 0.000 0.460 704 F N 0.978 120.665 119.950 -0.438 0.000 2.335 704 F HA 0.083 4.612 4.527 0.004 0.000 0.296 704 F C 2.307 177.830 175.800 -0.461 0.000 1.091 704 F CA 0.453 58.119 58.000 -0.557 0.000 1.399 704 F CB -0.245 38.189 39.000 -0.942 0.000 1.067 704 F HN -0.093 nan 8.300 nan 0.000 0.520 705 E N 0.173 120.199 120.200 -0.290 0.000 2.338 705 E HA -0.103 4.249 4.350 0.004 0.000 0.197 705 E C 1.600 178.185 176.600 -0.024 0.000 1.007 705 E CA 0.562 56.896 56.400 -0.110 0.000 0.849 705 E CB -0.082 29.626 29.700 0.013 0.000 0.774 705 E HN 0.462 nan 8.360 nan 0.000 0.506 706 R N 0.029 120.508 120.500 -0.035 0.000 2.397 706 R HA 0.109 4.451 4.340 0.004 0.000 0.241 706 R C 0.085 176.376 176.300 -0.014 0.000 0.914 706 R CA 0.082 56.181 56.100 -0.001 0.000 1.071 706 R CB 0.704 31.020 30.300 0.028 0.000 1.116 706 R HN -0.100 nan 8.270 nan 0.000 0.524 707 D N 0.109 120.483 120.400 -0.043 0.000 2.330 707 D HA 0.237 4.879 4.640 0.004 0.000 0.249 707 D C 0.406 176.713 176.300 0.012 0.000 1.306 707 D CA -0.152 53.841 54.000 -0.012 0.000 0.956 707 D CB 1.353 42.127 40.800 -0.044 0.000 1.261 707 D HN 0.037 nan 8.370 nan 0.000 0.544 708 A N 2.944 125.794 122.820 0.050 0.000 1.908 708 A HA -0.259 4.064 4.320 0.004 0.000 0.218 708 A C 1.805 179.457 177.584 0.113 0.000 1.181 708 A CA 1.222 53.300 52.037 0.069 0.000 0.627 708 A CB -0.688 18.357 19.000 0.075 0.000 0.818 708 A HN 0.652 nan 8.150 nan 0.000 0.445 709 Y N -0.083 120.220 120.300 0.005 0.000 2.207 709 Y HA -0.154 4.399 4.550 0.004 0.000 0.287 709 Y C 1.968 177.878 175.900 0.017 0.000 1.156 709 Y CA 1.444 59.550 58.100 0.011 0.000 1.182 709 Y CB -0.490 37.974 38.460 0.007 0.000 0.979 709 Y HN 0.242 nan 8.280 nan 0.000 0.521 710 L N -0.434 120.742 121.223 -0.078 0.000 2.042 710 L HA -0.189 4.154 4.340 0.004 0.000 0.210 710 L C 2.292 179.141 176.870 -0.035 0.000 1.076 710 L CA 1.671 56.416 54.840 -0.158 0.000 0.749 710 L CB -1.058 40.885 42.059 -0.193 0.000 0.893 710 L HN 0.364 nan 8.230 nan 0.000 0.432 711 L N -0.804 120.473 121.223 0.090 0.000 2.056 711 L HA -0.217 4.126 4.340 0.004 0.000 0.207 711 L C 2.481 179.320 176.870 -0.051 0.000 1.078 711 L CA 1.705 56.588 54.840 0.072 0.000 0.749 711 L CB -0.615 41.464 42.059 0.034 0.000 0.901 711 L HN 0.417 nan 8.230 nan 0.000 0.433 712 Q N -0.902 118.867 119.800 -0.050 0.000 2.084 712 Q HA -0.210 4.133 4.340 0.004 0.000 0.202 712 Q C 2.303 178.245 176.000 -0.097 0.000 0.978 712 Q CA 1.728 57.505 55.803 -0.044 0.000 0.844 712 Q CB -0.250 28.508 28.738 0.032 0.000 0.898 712 Q HN 0.497 nan 8.270 nan 0.000 0.426 713 R N -0.050 120.317 120.500 -0.223 0.000 2.081 713 R HA -0.127 4.215 4.340 0.004 0.000 0.235 713 R C 2.226 178.488 176.300 -0.064 0.000 1.131 713 R CA 1.497 57.474 56.100 -0.205 0.000 0.960 713 R CB -0.265 29.815 30.300 -0.366 0.000 0.856 713 R HN 0.229 nan 8.270 nan 0.000 0.436 714 M N 1.418 120.976 119.600 -0.069 0.000 2.086 714 M HA -0.139 4.343 4.480 0.004 0.000 0.261 714 M C 1.543 177.831 176.300 -0.020 0.000 1.067 714 M CA 1.794 57.079 55.300 -0.026 0.000 1.116 714 M CB -0.047 32.458 32.600 -0.158 0.000 1.348 714 M HN 0.031 nan 8.290 nan 0.000 0.407 715 E N -0.480 119.677 120.200 -0.072 0.000 2.077 715 E HA -0.210 4.143 4.350 0.004 0.000 0.193 715 E C 2.020 178.589 176.600 -0.051 0.000 0.989 715 E CA 1.339 57.695 56.400 -0.073 0.000 0.800 715 E CB -0.240 29.421 29.700 -0.065 0.000 0.746 715 E HN 0.495 nan 8.360 nan 0.000 0.452 716 E N 0.430 120.619 120.200 -0.018 0.000 2.058 716 E HA -0.191 4.162 4.350 0.004 0.000 0.194 716 E C 1.885 178.492 176.600 0.011 0.000 0.997 716 E CA 0.833 57.234 56.400 0.002 0.000 0.801 716 E CB -0.403 29.312 29.700 0.025 0.000 0.746 716 E HN 0.213 nan 8.360 nan 0.000 0.450 717 F N 1.860 121.748 119.950 -0.103 0.000 2.031 717 F HA -0.205 4.324 4.527 0.004 0.000 0.295 717 F C 2.169 177.868 175.800 -0.168 0.000 1.133 717 F CA 1.207 59.128 58.000 -0.133 0.000 1.188 717 F CB -0.451 38.459 39.000 -0.150 0.000 0.974 717 F HN -0.093 nan 8.300 nan 0.000 0.473 718 I N 1.038 121.315 120.570 -0.488 0.000 2.264 718 I HA -0.215 3.957 4.170 0.004 0.000 0.248 718 I C 2.608 178.502 176.117 -0.371 0.000 1.111 718 I CA 1.629 62.595 61.300 -0.557 0.000 1.382 718 I CB -2.349 35.497 38.000 -0.257 0.000 1.060 718 I HN 0.388 nan 8.210 nan 0.000 0.418 719 G N -0.117 108.543 108.800 -0.233 0.000 2.848 719 G HA2 -0.084 3.879 3.960 0.004 0.000 0.208 719 G HA3 -0.084 3.879 3.960 0.004 0.000 0.208 719 G C 1.253 176.071 174.900 -0.137 0.000 1.152 719 G CA 0.983 45.991 45.100 -0.153 0.000 0.789 719 G HN 0.506 nan 8.290 nan 0.000 0.531 720 T N -2.624 111.821 114.554 -0.182 0.000 3.145 720 T HA 0.324 4.676 4.350 0.004 0.000 0.281 720 T C 0.293 174.915 174.700 -0.131 0.000 1.003 720 T CA -0.328 61.703 62.100 -0.114 0.000 0.901 720 T CB 0.609 69.444 68.868 -0.055 0.000 1.112 720 T HN -0.140 nan 8.240 nan 0.000 0.535 721 V N 3.745 123.517 119.914 -0.237 0.000 2.421 721 V HA 0.262 4.385 4.120 0.004 0.000 0.271 721 V C 0.711 176.779 176.094 -0.044 0.000 1.031 721 V CA -0.278 61.919 62.300 -0.173 0.000 1.032 721 V CB -0.499 31.140 31.823 -0.307 0.000 1.009 721 V HN 0.453 nan 8.190 nan 0.000 0.477 722 R N 3.288 123.799 120.500 0.018 0.000 2.549 722 R HA 0.769 5.111 4.340 0.004 0.000 0.259 722 R C 0.440 176.767 176.300 0.045 0.000 1.095 722 R CA -0.045 56.069 56.100 0.023 0.000 1.148 722 R CB 0.973 31.289 30.300 0.026 0.000 1.181 722 R HN 0.955 nan 8.270 nan 0.000 0.571 723 G N 0.537 109.356 108.800 0.032 0.000 2.770 723 G HA2 -0.183 3.780 3.960 0.004 0.000 0.686 723 G HA3 -0.183 3.780 3.960 0.004 0.000 0.686 723 G C 0.187 175.109 174.900 0.036 0.000 1.180 723 G CA -0.167 44.956 45.100 0.038 0.000 0.767 723 G HN 0.717 nan 8.290 nan 0.000 0.646 724 K N 0.841 121.258 120.400 0.028 0.000 2.296 724 K HA 0.388 4.710 4.320 0.004 0.000 0.200 724 K C 2.346 178.970 176.600 0.041 0.000 1.048 724 K CA 1.552 57.851 56.287 0.020 0.000 0.966 724 K CB 0.136 32.641 32.500 0.009 0.000 0.754 724 K HN 1.037 nan 8.250 nan 0.000 0.466 725 A N 2.714 125.576 122.820 0.070 0.000 1.824 725 A HA -0.098 4.225 4.320 0.004 0.000 0.215 725 A C 2.292 180.013 177.584 0.228 0.000 1.209 725 A CA 1.607 53.720 52.037 0.126 0.000 0.614 725 A CB -0.509 18.555 19.000 0.106 0.000 0.852 725 A HN 0.229 nan 8.150 nan 0.000 0.447 726 M N -0.317 119.422 119.600 0.233 0.000 2.358 726 M HA -0.134 4.348 4.480 0.004 0.000 0.264 726 M C 1.909 178.367 176.300 0.264 0.000 1.064 726 M CA 1.664 57.170 55.300 0.342 0.000 1.093 726 M CB -1.286 31.461 32.600 0.245 0.000 1.401 726 M HN 0.592 nan 8.290 nan 0.000 0.440 727 K N 1.245 121.712 120.400 0.111 0.000 2.097 727 K HA -0.256 4.067 4.320 0.004 0.000 0.214 727 K C 1.872 178.448 176.600 -0.041 0.000 1.052 727 K CA 2.057 58.357 56.287 0.021 0.000 0.932 727 K CB -0.003 32.488 32.500 -0.015 0.000 0.716 727 K HN 0.315 nan 8.250 nan 0.000 0.455 728 K N -0.478 119.831 120.400 -0.152 0.000 2.015 728 K HA -0.202 4.120 4.320 0.004 0.000 0.216 728 K C 2.150 178.556 176.600 -0.324 0.000 1.052 728 K CA 2.155 58.211 56.287 -0.386 0.000 0.937 728 K CB -0.313 31.676 32.500 -0.852 0.000 0.719 728 K HN 0.384 nan 8.250 nan 0.000 0.446 729 W N 0.472 121.755 121.300 -0.029 0.000 2.407 729 W HA -0.086 4.576 4.660 0.004 0.000 0.305 729 W C 2.148 178.634 176.519 -0.055 0.000 1.196 729 W CA 0.397 57.723 57.345 -0.032 0.000 1.311 729 W CB -0.889 28.565 29.460 -0.011 0.000 1.135 729 W HN -0.108 nan 8.180 nan 0.000 0.514 730 V N 0.841 120.855 119.914 0.167 0.000 2.252 730 V HA -0.346 3.777 4.120 0.004 0.000 0.249 730 V C 2.268 178.344 176.094 -0.030 0.000 1.056 730 V CA 2.476 64.787 62.300 0.017 0.000 1.022 730 V CB -0.943 30.862 31.823 -0.030 0.000 0.641 730 V HN 0.182 nan 8.190 nan 0.000 0.445 731 E N -0.415 119.763 120.200 -0.037 0.000 2.097 731 E HA -0.276 4.077 4.350 0.004 0.000 0.196 731 E C 2.418 178.979 176.600 -0.065 0.000 1.000 731 E CA 1.710 58.073 56.400 -0.063 0.000 0.804 731 E CB -0.232 29.422 29.700 -0.077 0.000 0.740 731 E HN 0.536 nan 8.360 nan 0.000 0.454 732 S N -0.165 115.501 115.700 -0.056 0.000 2.368 732 S HA -0.100 4.372 4.470 0.004 0.000 0.224 732 S C 1.969 176.538 174.600 -0.051 0.000 1.029 732 S CA 1.065 59.232 58.200 -0.055 0.000 0.988 732 S CB -0.240 62.933 63.200 -0.044 0.000 0.838 732 S HN 0.335 nan 8.310 nan 0.000 0.462 733 I N 0.964 121.515 120.570 -0.031 0.000 2.286 733 I HA -0.143 4.029 4.170 0.004 0.000 0.248 733 I C 2.504 178.565 176.117 -0.094 0.000 1.115 733 I CA 1.266 62.532 61.300 -0.057 0.000 1.392 733 I CB -0.748 37.230 38.000 -0.037 0.000 1.065 733 I HN 0.301 nan 8.210 nan 0.000 0.418 734 T N 0.818 115.318 114.554 -0.090 0.000 2.720 734 T HA -0.185 4.167 4.350 0.004 0.000 0.268 734 T C 1.920 176.560 174.700 -0.099 0.000 1.037 734 T CA 1.385 63.426 62.100 -0.099 0.000 1.144 734 T CB -0.108 68.707 68.868 -0.089 0.000 0.864 734 T HN 0.326 nan 8.240 nan 0.000 0.444 735 K N 0.535 120.880 120.400 -0.091 0.000 2.025 735 K HA 0.042 4.364 4.320 0.004 0.000 0.207 735 K C 2.248 178.779 176.600 -0.115 0.000 1.049 735 K CA 1.159 57.390 56.287 -0.092 0.000 0.933 735 K CB -0.338 32.113 32.500 -0.082 0.000 0.714 735 K HN 0.323 nan 8.250 nan 0.000 0.438 736 I N 1.268 121.763 120.570 -0.125 0.000 2.208 736 I HA -0.317 3.856 4.170 0.004 0.000 0.245 736 I C 2.313 178.302 176.117 -0.212 0.000 1.097 736 I CA 1.348 62.552 61.300 -0.161 0.000 1.363 736 I CB -0.417 37.488 38.000 -0.158 0.000 1.051 736 I HN 0.152 nan 8.210 nan 0.000 0.413 737 I N 0.245 120.699 120.570 -0.193 0.000 2.163 737 I HA -0.304 3.868 4.170 0.004 0.000 0.243 737 I C 2.732 178.736 176.117 -0.188 0.000 1.085 737 I CA 1.317 62.491 61.300 -0.210 0.000 1.347 737 I CB -0.435 37.462 38.000 -0.172 0.000 1.044 737 I HN 0.339 nan 8.210 nan 0.000 0.408 738 Q N 0.277 119.994 119.800 -0.138 0.000 2.079 738 Q HA -0.200 4.142 4.340 0.004 0.000 0.200 738 Q C 2.246 178.169 176.000 -0.128 0.000 0.974 738 Q CA 1.348 57.088 55.803 -0.105 0.000 0.840 738 Q CB -0.544 28.146 28.738 -0.080 0.000 0.898 738 Q HN 0.455 nan 8.270 nan 0.000 0.430 739 R N 0.642 121.053 120.500 -0.149 0.000 2.127 739 R HA -0.104 4.238 4.340 0.004 0.000 0.238 739 R C 1.899 178.075 176.300 -0.206 0.000 1.134 739 R CA 0.958 56.969 56.100 -0.149 0.000 0.975 739 R CB 0.201 30.415 30.300 -0.144 0.000 0.865 739 R HN -0.007 nan 8.270 nan 0.000 0.447 740 K N 0.331 120.531 120.400 -0.334 0.000 2.288 740 K HA -0.092 4.231 4.320 0.004 0.000 0.201 740 K C 1.605 177.958 176.600 -0.412 0.000 1.048 740 K CA 1.103 57.052 56.287 -0.564 0.000 0.956 740 K CB 0.203 31.991 32.500 -1.187 0.000 0.746 740 K HN 0.249 nan 8.250 nan 0.000 0.461 741 K N 0.524 120.810 120.400 -0.190 0.000 2.211 741 K HA 0.074 4.396 4.320 0.004 0.000 0.201 741 K C 2.165 178.758 176.600 -0.011 0.000 1.052 741 K CA 0.479 56.761 56.287 -0.009 0.000 0.973 741 K CB -0.097 32.430 32.500 0.044 0.000 0.766 741 K HN 0.140 nan 8.250 nan 0.000 0.466 742 I N -1.242 119.300 120.570 -0.046 0.000 2.163 742 I HA -0.106 4.066 4.170 0.004 0.000 0.243 742 I C 0.879 176.985 176.117 -0.019 0.000 1.085 742 I CA 0.904 62.187 61.300 -0.029 0.000 1.347 742 I CB -0.139 37.837 38.000 -0.040 0.000 1.044 742 I HN 0.001 nan 8.210 nan 0.000 0.408 751 N N 3.201 121.881 118.700 -0.033 0.000 2.476 751 N HA 0.438 5.181 4.740 0.004 0.000 0.275 751 N C -0.542 174.840 175.510 -0.214 0.000 1.190 751 N CA -0.497 52.498 53.050 -0.093 0.000 0.977 751 N CB 1.284 39.748 38.487 -0.038 0.000 1.200 751 N HN 0.253 nan 8.380 nan 0.000 0.515 752 I N 0.321 120.771 120.570 -0.200 0.000 2.545 752 I HA 0.371 4.543 4.170 0.004 0.000 0.292 752 I C -0.357 175.561 176.117 -0.332 0.000 1.040 752 I CA -0.484 60.614 61.300 -0.335 0.000 1.068 752 I CB 1.494 39.261 38.000 -0.389 0.000 1.251 752 I HN 0.408 nan 8.210 nan 0.000 0.424 753 T N 5.615 119.915 114.554 -0.423 0.000 2.829 753 T HA 0.720 5.072 4.350 0.004 0.000 0.280 753 T C -0.744 173.692 174.700 -0.440 0.000 0.999 753 T CA -0.282 61.648 62.100 -0.282 0.000 0.983 753 T CB 1.251 70.032 68.868 -0.144 0.000 0.968 753 T HN 0.148 nan 8.240 nan 0.000 0.446 754 F N 1.592 121.540 119.950 -0.003 0.000 2.577 754 F HA 0.367 4.897 4.527 0.004 0.000 0.318 754 F C 1.509 177.311 175.800 0.003 0.000 1.065 754 F CA -0.992 57.009 58.000 0.000 0.000 0.929 754 F CB 1.868 40.871 39.000 0.005 0.000 1.237 754 F HN 0.444 nan 8.300 nan 0.000 0.468 755 Q N 0.786 120.728 119.800 0.237 0.000 1.858 755 Q HA -0.005 4.338 4.340 0.004 0.000 0.224 755 Q C 0.612 176.679 176.000 0.110 0.000 0.980 755 Q CA 1.052 56.931 55.803 0.126 0.000 0.868 755 Q CB -1.278 27.517 28.738 0.095 0.000 0.920 755 Q HN 0.626 nan 8.270 nan 0.000 0.427 756 S N 1.372 117.122 115.700 0.084 0.000 2.614 756 S HA 0.363 4.836 4.470 0.004 0.000 0.265 756 S C 0.290 174.900 174.600 0.016 0.000 1.303 756 S CA -0.385 57.837 58.200 0.036 0.000 1.000 756 S CB 1.149 64.352 63.200 0.004 0.000 0.935 756 S HN 0.489 nan 8.310 nan 0.000 0.551 757 S N 0.645 116.341 115.700 -0.007 0.000 2.654 757 S HA 0.599 5.071 4.470 0.004 0.000 0.283 757 S C -2.615 171.931 174.600 -0.091 0.000 1.180 757 S CA -1.359 56.824 58.200 -0.028 0.000 1.021 757 S CB 0.048 63.250 63.200 0.004 0.000 1.018 757 S HN 0.730 nan 8.310 nan 0.000 0.532 758 P HA 0.246 nan 4.420 nan 0.000 0.267 758 P C -2.390 174.862 177.300 -0.080 0.000 1.200 758 P CA -0.870 62.149 63.100 -0.134 0.000 0.772 758 P CB -0.772 30.856 31.700 -0.121 0.000 0.855 759 P HA 0.056 nan 4.420 nan 0.000 0.272 759 P C -0.204 177.061 177.300 -0.059 0.000 1.240 759 P CA 0.011 63.071 63.100 -0.067 0.000 0.791 759 P CB 0.142 31.794 31.700 -0.079 0.000 0.978 760 T N 0.400 114.926 114.554 -0.047 0.000 2.930 760 T HA 0.125 4.478 4.350 0.004 0.000 0.306 760 T C 0.422 175.083 174.700 -0.064 0.000 1.045 760 T CA -0.327 61.757 62.100 -0.027 0.000 1.134 760 T CB 0.207 69.073 68.868 -0.003 0.000 0.961 760 T HN 0.111 nan 8.240 nan 0.000 0.545 761 V N 4.250 124.140 119.914 -0.040 0.000 2.521 761 V HA 0.067 4.190 4.120 0.004 0.000 0.286 761 V C 0.811 176.770 176.094 -0.225 0.000 1.034 761 V CA -0.056 62.156 62.300 -0.147 0.000 1.045 761 V CB 0.274 32.048 31.823 -0.082 0.000 0.974 761 V HN 0.771 nan 8.190 nan 0.000 0.480 762 E N 4.044 123.999 120.200 -0.409 0.000 2.283 762 E HA 0.282 4.635 4.350 0.004 0.000 0.278 762 E C -1.165 175.136 176.600 -0.499 0.000 1.027 762 E CA -0.175 55.985 56.400 -0.399 0.000 0.843 762 E CB 1.457 30.735 29.700 -0.704 0.000 1.062 762 E HN 0.622 nan 8.360 nan 0.000 0.401 763 W N 0.553 121.893 121.300 0.066 0.000 2.736 763 W HA 0.213 4.875 4.660 0.004 0.000 0.335 763 W C 0.642 177.283 176.519 0.204 0.000 1.059 763 W CA -0.467 56.936 57.345 0.097 0.000 1.226 763 W CB 1.084 30.564 29.460 0.032 0.000 1.416 763 W HN 0.655 nan 8.180 nan 0.000 0.505 764 H N 0.770 119.973 119.070 0.222 0.000 4.419 764 H HA 0.416 4.975 4.556 0.004 0.000 0.194 764 H C 1.442 176.785 175.328 0.025 0.000 1.467 764 H CA 0.438 56.506 56.048 0.034 0.000 1.118 764 H CB -0.115 29.554 29.762 -0.156 0.000 1.182 764 H HN 0.389 nan 8.280 nan 0.000 0.527 765 I N -0.029 120.237 120.570 -0.507 0.000 2.163 765 I HA -0.129 4.043 4.170 0.004 0.000 0.240 765 I C 0.643 176.657 176.117 -0.171 0.000 1.081 765 I CA 0.896 61.931 61.300 -0.442 0.000 1.353 765 I CB -0.418 37.210 38.000 -0.620 0.000 1.054 765 I HN 0.146 nan 8.210 nan 0.000 0.407 766 S N 2.148 117.795 115.700 -0.087 0.000 2.549 766 S HA 0.167 4.640 4.470 0.004 0.000 0.286 766 S C 0.190 174.876 174.600 0.144 0.000 1.314 766 S CA -0.368 57.864 58.200 0.053 0.000 1.062 766 S CB 0.360 63.628 63.200 0.114 0.000 0.865 766 S HN 0.143 nan 8.310 nan 0.000 0.498 767 R N 2.144 122.677 120.500 0.056 0.000 2.758 767 R HA 0.491 4.834 4.340 0.004 0.000 0.265 767 R C -2.822 173.292 176.300 -0.309 0.000 1.016 767 R CA -2.793 53.221 56.100 -0.143 0.000 1.040 767 R CB -0.656 29.585 30.300 -0.098 0.000 1.152 767 R HN 0.301 nan 8.270 nan 0.000 0.503 768 P HA 0.021 nan 4.420 nan 0.000 0.264 768 P C 0.192 177.347 177.300 -0.243 0.000 1.183 768 P CA 0.910 63.519 63.100 -0.818 0.000 0.763 768 P CB 0.339 31.545 31.700 -0.823 0.000 0.807 769 G N 2.236 110.983 108.800 -0.089 0.000 2.272 769 G HA2 -0.219 3.743 3.960 0.004 0.000 0.280 769 G HA3 -0.219 3.743 3.960 0.004 0.000 0.280 769 G C 0.081 174.743 174.900 -0.397 0.000 1.067 769 G CA -0.288 44.698 45.100 -0.189 0.000 0.902 769 G HN 0.739 nan 8.290 nan 0.000 0.500 770 H N -0.704 118.346 119.070 -0.034 0.000 2.947 770 H HA 0.122 4.680 4.556 0.004 0.000 0.222 770 H C 2.022 177.181 175.328 -0.283 0.000 1.414 770 H CA 0.070 56.077 56.048 -0.068 0.000 1.224 770 H CB -0.252 29.527 29.762 0.028 0.000 2.100 770 H HN 0.567 nan 8.280 nan 0.000 0.524 771 I N -1.599 118.609 120.570 -0.602 0.000 2.623 771 I HA -0.236 3.937 4.170 0.004 0.000 0.261 771 I C 1.180 177.007 176.117 -0.484 0.000 1.204 771 I CA 1.335 61.938 61.300 -1.161 0.000 1.444 771 I CB -0.051 37.511 38.000 -0.730 0.000 1.094 771 I HN 0.004 nan 8.210 nan 0.000 0.451 772 E N 1.692 121.789 120.200 -0.171 0.000 2.268 772 E HA -0.116 4.236 4.350 0.004 0.000 0.195 772 E C 1.978 178.614 176.600 0.060 0.000 0.995 772 E CA 1.633 58.022 56.400 -0.019 0.000 0.836 772 E CB -0.572 29.144 29.700 0.026 0.000 0.763 772 E HN 0.750 nan 8.360 nan 0.000 0.491 773 T N -1.982 112.631 114.554 0.097 0.000 3.014 773 T HA 0.140 4.492 4.350 0.004 0.000 0.250 773 T C 0.359 175.186 174.700 0.212 0.000 1.060 773 T CA -0.500 61.692 62.100 0.154 0.000 1.040 773 T CB -0.195 68.744 68.868 0.117 0.000 0.971 773 T HN -0.135 nan 8.240 nan 0.000 0.497 774 F N 3.116 122.996 119.950 -0.116 0.000 2.623 774 F HA 0.434 4.963 4.527 0.004 0.000 0.381 774 F C 0.845 176.383 175.800 -0.437 0.000 1.081 774 F CA -0.194 57.566 58.000 -0.401 0.000 1.293 774 F CB -0.289 38.269 39.000 -0.737 0.000 1.006 774 F HN 0.227 nan 8.300 nan 0.000 0.578 775 D N 0.863 121.107 120.400 -0.261 0.000 2.798 775 D HA 0.075 4.717 4.640 0.004 0.000 0.265 775 D C 0.428 176.803 176.300 0.124 0.000 1.223 775 D CA -0.676 53.358 54.000 0.056 0.000 0.743 775 D CB 0.801 41.709 40.800 0.179 0.000 1.276 775 D HN 0.284 nan 8.370 nan 0.000 0.421 776 L N 1.732 123.188 121.223 0.388 0.000 2.064 776 L HA -0.085 4.257 4.340 0.004 0.000 0.216 776 L C 1.458 178.398 176.870 0.115 0.000 1.077 776 L CA 2.065 57.106 54.840 0.336 0.000 0.766 776 L CB -0.423 41.704 42.059 0.113 0.000 0.890 776 L HN 0.580 nan 8.230 nan 0.000 0.435 777 L N -1.719 119.511 121.223 0.011 0.000 2.554 777 L HA 0.059 4.402 4.340 0.004 0.000 0.225 777 L C 1.974 178.783 176.870 -0.102 0.000 1.104 777 L CA 0.815 55.621 54.840 -0.057 0.000 0.866 777 L CB -0.526 41.477 42.059 -0.092 0.000 1.047 777 L HN 0.420 nan 8.230 nan 0.000 0.468 778 T N -2.924 111.512 114.554 -0.198 0.000 3.051 778 T HA 0.197 4.549 4.350 0.004 0.000 0.255 778 T C 0.801 175.447 174.700 -0.091 0.000 1.085 778 T CA -0.009 61.922 62.100 -0.281 0.000 1.109 778 T CB 0.102 68.712 68.868 -0.430 0.000 0.921 778 T HN -0.009 nan 8.240 nan 0.000 0.488 779 L N 1.699 122.859 121.223 -0.105 0.000 2.421 779 L HA 0.366 4.709 4.340 0.004 0.000 0.263 779 L C 0.643 177.478 176.870 -0.060 0.000 1.122 779 L CA -1.169 53.581 54.840 -0.150 0.000 0.804 779 L CB 0.762 42.656 42.059 -0.275 0.000 1.150 779 L HN 0.302 nan 8.230 nan 0.000 0.457 780 H N 4.339 123.314 119.070 -0.158 0.000 2.803 780 H HA 0.059 4.618 4.556 0.004 0.000 0.330 780 H C -1.741 173.468 175.328 -0.197 0.000 1.057 780 H CA -1.730 54.200 56.048 -0.196 0.000 1.458 780 H CB 1.522 31.157 29.762 -0.212 0.000 1.470 780 H HN 0.326 nan 8.280 nan 0.000 0.560 781 P HA -0.158 nan 4.420 nan 0.000 0.216 781 P C 1.773 179.074 177.300 0.001 0.000 1.150 781 P CA 1.094 64.183 63.100 -0.019 0.000 0.837 781 P CB 0.449 32.089 31.700 -0.101 0.000 0.786 782 I N -0.054 120.594 120.570 0.131 0.000 2.163 782 I HA -0.227 3.946 4.170 0.004 0.000 0.243 782 I C 2.611 178.618 176.117 -0.183 0.000 1.085 782 I CA 1.661 62.890 61.300 -0.118 0.000 1.347 782 I CB -0.684 37.133 38.000 -0.306 0.000 1.044 782 I HN -0.024 nan 8.210 nan 0.000 0.408 783 E N 1.138 121.216 120.200 -0.204 0.000 2.208 783 E HA -0.104 4.248 4.350 0.004 0.000 0.193 783 E C 2.031 178.553 176.600 -0.130 0.000 0.988 783 E CA 0.904 57.162 56.400 -0.236 0.000 0.828 783 E CB -0.126 29.339 29.700 -0.393 0.000 0.763 783 E HN 0.447 nan 8.360 nan 0.000 0.478 784 I N -0.172 120.360 120.570 -0.062 0.000 2.252 784 I HA -0.232 3.940 4.170 0.004 0.000 0.245 784 I C 2.219 178.267 176.117 -0.115 0.000 1.102 784 I CA 0.997 62.316 61.300 0.031 0.000 1.385 784 I CB -0.306 37.773 38.000 0.131 0.000 1.064 784 I HN 0.139 nan 8.210 nan 0.000 0.414 785 A N 0.782 123.470 122.820 -0.220 0.000 1.898 785 A HA -0.171 4.152 4.320 0.004 0.000 0.216 785 A C 2.386 179.935 177.584 -0.060 0.000 1.181 785 A CA 1.282 53.118 52.037 -0.335 0.000 0.620 785 A CB -0.472 18.209 19.000 -0.533 0.000 0.819 785 A HN 0.273 nan 8.150 nan 0.000 0.442 786 R N -0.858 119.575 120.500 -0.112 0.000 2.070 786 R HA -0.120 4.222 4.340 0.004 0.000 0.232 786 R C 2.469 178.714 176.300 -0.092 0.000 1.138 786 R CA 1.547 57.579 56.100 -0.113 0.000 0.936 786 R CB -0.326 29.893 30.300 -0.135 0.000 0.839 786 R HN 0.466 nan 8.270 nan 0.000 0.429 787 Q N 0.615 120.381 119.800 -0.058 0.000 2.124 787 Q HA -0.126 4.217 4.340 0.004 0.000 0.202 787 Q C 2.238 178.228 176.000 -0.018 0.000 0.977 787 Q CA 1.336 57.138 55.803 -0.002 0.000 0.850 787 Q CB -0.213 28.584 28.738 0.098 0.000 0.901 787 Q HN 0.403 nan 8.270 nan 0.000 0.429 788 L N -0.024 121.160 121.223 -0.065 0.000 2.109 788 L HA -0.125 4.217 4.340 0.004 0.000 0.207 788 L C 2.255 179.098 176.870 -0.045 0.000 1.086 788 L CA 1.134 55.929 54.840 -0.076 0.000 0.760 788 L CB -0.393 41.636 42.059 -0.051 0.000 0.910 788 L HN 0.183 nan 8.230 nan 0.000 0.437 789 T N 0.054 114.590 114.554 -0.030 0.000 2.821 789 T HA -0.131 4.221 4.350 0.004 0.000 0.267 789 T C 1.949 176.473 174.700 -0.293 0.000 1.046 789 T CA 1.018 62.994 62.100 -0.208 0.000 1.139 789 T CB -0.087 68.593 68.868 -0.313 0.000 0.871 789 T HN 0.176 nan 8.240 nan 0.000 0.454 790 L N 0.154 121.254 121.223 -0.206 0.000 2.027 790 L HA -0.037 4.306 4.340 0.004 0.000 0.206 790 L C 2.401 179.239 176.870 -0.053 0.000 1.074 790 L CA 0.797 55.569 54.840 -0.112 0.000 0.745 790 L CB -0.440 41.593 42.059 -0.043 0.000 0.898 790 L HN 0.221 nan 8.230 nan 0.000 0.433 791 L N 0.140 121.323 121.223 -0.067 0.000 1.989 791 L HA -0.260 4.083 4.340 0.004 0.000 0.211 791 L C 2.366 179.136 176.870 -0.167 0.000 1.071 791 L CA 1.917 56.703 54.840 -0.089 0.000 0.749 791 L CB -0.425 41.580 42.059 -0.091 0.000 0.890 791 L HN 0.196 nan 8.230 nan 0.000 0.431 792 E N -1.544 118.524 120.200 -0.220 0.000 2.106 792 E HA -0.199 4.153 4.350 0.004 0.000 0.192 792 E C 2.302 178.898 176.600 -0.007 0.000 0.984 792 E CA 1.150 57.433 56.400 -0.196 0.000 0.806 792 E CB -0.162 29.427 29.700 -0.184 0.000 0.750 792 E HN 0.505 nan 8.360 nan 0.000 0.458 793 S N 0.580 116.296 115.700 0.027 0.000 2.368 793 S HA -0.199 4.274 4.470 0.004 0.000 0.225 793 S C 1.474 176.207 174.600 0.222 0.000 1.030 793 S CA 1.541 59.858 58.200 0.194 0.000 0.999 793 S CB -0.218 63.152 63.200 0.282 0.000 0.844 793 S HN 0.191 nan 8.310 nan 0.000 0.459 794 D N 1.336 121.812 120.400 0.126 0.000 2.097 794 D HA -0.061 4.582 4.640 0.004 0.000 0.195 794 D C 2.016 178.371 176.300 0.092 0.000 0.989 794 D CA 1.106 55.172 54.000 0.109 0.000 0.827 794 D CB -0.573 40.267 40.800 0.066 0.000 0.966 794 D HN 0.391 nan 8.370 nan 0.000 0.456 795 L N -0.116 121.137 121.223 0.051 0.000 2.081 795 L HA -0.232 4.110 4.340 0.004 0.000 0.212 795 L C 2.489 179.420 176.870 0.102 0.000 1.080 795 L CA 1.082 55.944 54.840 0.037 0.000 0.754 795 L CB -0.470 41.577 42.059 -0.020 0.000 0.893 795 L HN 0.088 nan 8.230 nan 0.000 0.433 796 Y N 0.951 121.298 120.300 0.079 0.000 2.184 796 Y HA -0.172 4.380 4.550 0.004 0.000 0.290 796 Y C 2.635 178.636 175.900 0.168 0.000 1.129 796 Y CA 1.332 59.538 58.100 0.177 0.000 1.144 796 Y CB -0.141 38.440 38.460 0.201 0.000 0.995 796 Y HN -0.059 nan 8.280 nan 0.000 0.513 797 R N -0.051 120.517 120.500 0.114 0.000 2.293 797 R HA -0.042 4.300 4.340 0.004 0.000 0.219 797 R C 2.094 178.378 176.300 -0.026 0.000 1.091 797 R CA 0.787 56.905 56.100 0.029 0.000 1.004 797 R CB -0.308 30.081 30.300 0.149 0.000 0.865 797 R HN 0.410 nan 8.270 nan 0.000 0.469 798 A N 0.555 123.362 122.820 -0.023 0.000 2.132 798 A HA 0.102 4.425 4.320 0.004 0.000 0.213 798 A C 0.735 178.275 177.584 -0.073 0.000 1.154 798 A CA -0.084 51.935 52.037 -0.031 0.000 0.753 798 A CB 0.465 19.458 19.000 -0.011 0.000 0.826 798 A HN 0.013 nan 8.150 nan 0.000 0.469 799 V N 2.559 122.400 119.914 -0.122 0.000 2.479 799 V HA 0.097 4.219 4.120 0.004 0.000 0.281 799 V C -0.116 175.917 176.094 -0.101 0.000 1.031 799 V CA -0.139 62.071 62.300 -0.150 0.000 1.038 799 V CB 0.544 32.223 31.823 -0.240 0.000 0.981 799 V HN 0.471 nan 8.190 nan 0.000 0.478 800 Q N 6.075 125.826 119.800 -0.082 0.000 2.214 800 Q HA 0.340 4.682 4.340 0.004 0.000 0.251 800 Q C -1.710 174.272 176.000 -0.029 0.000 0.936 800 Q CA -2.307 53.467 55.803 -0.048 0.000 0.894 800 Q CB 1.289 30.001 28.738 -0.043 0.000 1.252 800 Q HN 0.330 nan 8.270 nan 0.000 0.448 801 P HA -0.171 nan 4.420 nan 0.000 0.216 801 P C 1.203 178.529 177.300 0.044 0.000 1.150 801 P CA 1.673 64.797 63.100 0.039 0.000 0.837 801 P CB 0.188 31.941 31.700 0.088 0.000 0.786 802 S N -0.276 115.439 115.700 0.025 0.000 2.465 802 S HA -0.189 4.284 4.470 0.004 0.000 0.241 802 S C 1.583 176.158 174.600 -0.041 0.000 1.000 802 S CA 1.101 59.278 58.200 -0.039 0.000 0.964 802 S CB -1.144 61.883 63.200 -0.287 0.000 0.763 802 S HN 0.315 nan 8.310 nan 0.000 0.512 803 E N -0.033 120.148 120.200 -0.032 0.000 2.481 803 E HA 0.145 4.498 4.350 0.004 0.000 0.195 803 E C 0.853 177.515 176.600 0.103 0.000 1.047 803 E CA 0.169 56.568 56.400 -0.001 0.000 0.867 803 E CB 0.027 29.688 29.700 -0.064 0.000 0.858 803 E HN 0.408 nan 8.360 nan 0.000 0.513 804 L N -0.274 121.015 121.223 0.110 0.000 2.547 804 L HA 0.100 4.442 4.340 0.004 0.000 0.218 804 L C 0.588 177.643 176.870 0.309 0.000 1.048 804 L CA 0.377 55.347 54.840 0.217 0.000 0.859 804 L CB 0.228 42.319 42.059 0.052 0.000 1.128 804 L HN -0.154 nan 8.230 nan 0.000 0.483 805 V N 1.102 121.110 119.914 0.156 0.000 2.655 805 V HA 0.372 4.495 4.120 0.004 0.000 0.300 805 V C 1.416 177.559 176.094 0.081 0.000 1.044 805 V CA 0.769 63.132 62.300 0.105 0.000 1.095 805 V CB 0.154 32.004 31.823 0.045 0.000 0.952 805 V HN 0.676 nan 8.190 nan 0.000 0.485 806 G N 3.768 112.595 108.800 0.046 0.000 2.147 806 G HA2 -0.267 3.695 3.960 0.004 0.000 0.244 806 G HA3 -0.267 3.695 3.960 0.004 0.000 0.244 806 G C 0.481 175.340 174.900 -0.067 0.000 1.005 806 G CA 0.296 45.388 45.100 -0.013 0.000 0.713 806 G HN 1.348 nan 8.290 nan 0.000 0.515 807 S N -2.437 113.220 115.700 -0.071 0.000 3.462 807 S HA -0.345 4.128 4.470 0.004 0.000 0.370 807 S C 2.084 176.406 174.600 -0.463 0.000 1.028 807 S CA 1.600 59.513 58.200 -0.479 0.000 1.119 807 S CB -1.804 61.098 63.200 -0.496 0.000 0.906 807 S HN 2.153 nan 8.310 nan 0.000 0.471 808 V N -1.738 118.107 119.914 -0.115 0.000 2.867 808 V HA -0.093 4.030 4.120 0.004 0.000 0.260 808 V C 1.690 177.765 176.094 -0.032 0.000 1.099 808 V CA 1.733 63.994 62.300 -0.065 0.000 1.122 808 V CB -1.188 30.645 31.823 0.017 0.000 0.708 808 V HN 0.897 nan 8.190 nan 0.000 0.490 809 W N 1.841 123.119 121.300 -0.037 0.000 3.180 809 W HA 0.276 4.939 4.660 0.004 0.000 0.254 809 W C 1.459 177.961 176.519 -0.027 0.000 1.318 809 W CA 0.671 57.991 57.345 -0.042 0.000 1.608 809 W CB -1.035 28.391 29.460 -0.057 0.000 1.124 809 W HN 0.269 nan 8.180 nan 0.000 0.694 810 T N -3.044 111.129 114.554 -0.635 0.000 3.044 810 T HA 0.265 4.618 4.350 0.004 0.000 0.260 810 T C 0.655 175.204 174.700 -0.252 0.000 1.019 810 T CA -0.358 61.451 62.100 -0.484 0.000 0.921 810 T CB 0.039 68.517 68.868 -0.649 0.000 1.053 810 T HN -0.211 nan 8.240 nan 0.000 0.533 811 K N 1.575 121.859 120.400 -0.194 0.000 2.177 811 K HA 0.456 4.778 4.320 0.004 0.000 0.238 811 K C 1.150 177.709 176.600 -0.069 0.000 1.015 811 K CA -0.804 55.411 56.287 -0.120 0.000 0.922 811 K CB 1.031 33.465 32.500 -0.109 0.000 1.127 811 K HN 0.070 nan 8.250 nan 0.000 0.469 812 E N 0.702 120.870 120.200 -0.052 0.000 2.097 812 E HA -0.195 4.157 4.350 0.004 0.000 0.196 812 E C -0.135 176.451 176.600 -0.023 0.000 1.000 812 E CA 1.401 57.782 56.400 -0.032 0.000 0.804 812 E CB 0.131 29.815 29.700 -0.028 0.000 0.740 812 E HN 0.376 nan 8.360 nan 0.000 0.454 813 D N 0.328 120.713 120.400 -0.025 0.000 2.538 813 D HA -0.032 4.611 4.640 0.004 0.000 0.234 813 D C 1.323 177.618 176.300 -0.008 0.000 1.191 813 D CA 0.160 54.151 54.000 -0.015 0.000 0.828 813 D CB 0.042 40.832 40.800 -0.017 0.000 0.981 813 D HN 0.303 nan 8.370 nan 0.000 0.490 814 K N 0.634 121.032 120.400 -0.004 0.000 2.103 814 K HA -0.170 4.152 4.320 0.004 0.000 0.207 814 K C 1.125 177.740 176.600 0.025 0.000 1.048 814 K CA 0.945 57.245 56.287 0.021 0.000 0.930 814 K CB 0.002 32.521 32.500 0.033 0.000 0.716 814 K HN -0.038 nan 8.250 nan 0.000 0.444 815 E N 0.951 121.159 120.200 0.014 0.000 2.153 815 E HA -0.108 4.245 4.350 0.004 0.000 0.194 815 E C 2.144 178.746 176.600 0.002 0.000 0.988 815 E CA 1.065 57.471 56.400 0.009 0.000 0.811 815 E CB -0.157 29.547 29.700 0.006 0.000 0.746 815 E HN 0.530 nan 8.360 nan 0.000 0.466 816 I N 1.236 121.806 120.570 -0.001 0.000 2.429 816 I HA -0.145 4.027 4.170 0.004 0.000 0.247 816 I C 1.879 177.987 176.117 -0.015 0.000 1.099 816 I CA 0.538 61.834 61.300 -0.007 0.000 1.422 816 I CB -0.133 37.864 38.000 -0.007 0.000 1.112 816 I HN -0.031 nan 8.210 nan 0.000 0.430 817 N N 0.262 118.955 118.700 -0.012 0.000 2.333 817 N HA -0.007 4.735 4.740 0.004 0.000 0.178 817 N C 0.627 176.127 175.510 -0.016 0.000 1.018 817 N CA 0.831 53.868 53.050 -0.022 0.000 0.882 817 N CB 0.185 38.666 38.487 -0.011 0.000 0.984 817 N HN 0.124 nan 8.380 nan 0.000 0.434 818 S N 1.298 117.004 115.700 0.009 0.000 2.558 818 S HA 0.204 4.677 4.470 0.004 0.000 0.238 818 S C -1.757 172.830 174.600 -0.023 0.000 1.183 818 S CA -0.912 57.290 58.200 0.004 0.000 1.185 818 S CB 1.455 64.708 63.200 0.089 0.000 1.003 818 S HN 0.221 nan 8.310 nan 0.000 0.478 819 P HA -0.098 nan 4.420 nan 0.000 0.217 819 P C 0.880 178.152 177.300 -0.047 0.000 1.150 819 P CA 1.161 64.244 63.100 -0.028 0.000 0.832 819 P CB 0.158 31.846 31.700 -0.021 0.000 0.787 820 N N -0.017 118.642 118.700 -0.068 0.000 2.171 820 N HA -0.096 4.646 4.740 0.004 0.000 0.184 820 N C 1.975 177.401 175.510 -0.140 0.000 1.021 820 N CA 0.658 53.656 53.050 -0.086 0.000 0.854 820 N CB -1.031 37.403 38.487 -0.089 0.000 0.994 820 N HN 0.087 nan 8.380 nan 0.000 0.426 821 L N 1.754 122.854 121.223 -0.205 0.000 1.989 821 L HA -0.092 4.250 4.340 0.004 0.000 0.211 821 L C 2.135 178.873 176.870 -0.220 0.000 1.071 821 L CA 1.407 56.043 54.840 -0.340 0.000 0.749 821 L CB -0.705 41.113 42.059 -0.402 0.000 0.890 821 L HN 0.095 nan 8.230 nan 0.000 0.431 822 L N -0.631 120.524 121.223 -0.113 0.000 2.046 822 L HA -0.237 4.105 4.340 0.004 0.000 0.208 822 L C 2.659 179.512 176.870 -0.028 0.000 1.077 822 L CA 1.708 56.520 54.840 -0.047 0.000 0.747 822 L CB -0.733 41.322 42.059 -0.006 0.000 0.896 822 L HN 0.343 nan 8.230 nan 0.000 0.432 823 K N 0.199 120.581 120.400 -0.029 0.000 2.063 823 K HA -0.254 4.068 4.320 0.004 0.000 0.208 823 K C 2.283 178.894 176.600 0.018 0.000 1.048 823 K CA 1.600 57.886 56.287 -0.002 0.000 0.928 823 K CB -0.099 32.396 32.500 -0.008 0.000 0.713 823 K HN 0.172 nan 8.250 nan 0.000 0.442 824 M N 0.960 120.548 119.600 -0.020 0.000 2.132 824 M HA -0.143 4.339 4.480 0.004 0.000 0.263 824 M C 1.847 178.182 176.300 0.058 0.000 1.065 824 M CA 1.580 56.885 55.300 0.008 0.000 1.122 824 M CB -0.228 32.340 32.600 -0.053 0.000 1.365 824 M HN 0.219 nan 8.290 nan 0.000 0.411 825 I N -0.288 120.284 120.570 0.003 0.000 2.394 825 I HA -0.287 3.885 4.170 0.004 0.000 0.251 825 I C 2.356 178.518 176.117 0.076 0.000 1.136 825 I CA 0.985 62.308 61.300 0.039 0.000 1.425 825 I CB -0.392 37.607 38.000 -0.002 0.000 1.079 825 I HN 0.324 nan 8.210 nan 0.000 0.425 826 R N -0.320 120.217 120.500 0.061 0.000 2.092 826 R HA -0.191 4.151 4.340 0.004 0.000 0.231 826 R C 2.331 178.662 176.300 0.053 0.000 1.119 826 R CA 1.388 57.519 56.100 0.053 0.000 0.970 826 R CB -0.504 29.816 30.300 0.034 0.000 0.864 826 R HN 0.443 nan 8.270 nan 0.000 0.440 827 H N 0.081 119.159 119.070 0.014 0.000 2.319 827 H HA -0.073 4.486 4.556 0.004 0.000 0.299 827 H C 1.678 177.025 175.328 0.032 0.000 1.092 827 H CA 2.232 58.287 56.048 0.010 0.000 1.302 827 H CB -0.083 29.683 29.762 0.008 0.000 1.373 827 H HN -0.034 nan 8.280 nan 0.000 0.497 828 T N -0.488 114.153 114.554 0.144 0.000 2.684 828 T HA -0.177 4.175 4.350 0.004 0.000 0.267 828 T C 1.945 176.681 174.700 0.059 0.000 1.036 828 T CA 1.958 64.141 62.100 0.139 0.000 1.148 828 T CB -0.539 68.457 68.868 0.213 0.000 0.863 828 T HN 0.497 nan 8.240 nan 0.000 0.436 829 T N 1.786 116.379 114.554 0.065 0.000 2.746 829 T HA -0.093 4.259 4.350 0.004 0.000 0.267 829 T C 2.048 176.777 174.700 0.050 0.000 1.039 829 T CA 1.204 63.351 62.100 0.078 0.000 1.142 829 T CB -0.445 68.471 68.868 0.079 0.000 0.866 829 T HN 0.278 nan 8.240 nan 0.000 0.444 830 N N 0.740 119.422 118.700 -0.029 0.000 2.120 830 N HA -0.035 4.708 4.740 0.004 0.000 0.188 830 N C 1.540 177.021 175.510 -0.049 0.000 1.024 830 N CA 0.600 53.613 53.050 -0.061 0.000 0.852 830 N CB -0.391 38.012 38.487 -0.141 0.000 1.003 830 N HN 0.139 nan 8.380 nan 0.000 0.424 831 L N 0.193 121.326 121.223 -0.151 0.000 2.109 831 L HA -0.008 4.335 4.340 0.004 0.000 0.207 831 L C 1.869 178.778 176.870 0.064 0.000 1.086 831 L CA 1.581 56.339 54.840 -0.136 0.000 0.760 831 L CB -0.999 40.916 42.059 -0.240 0.000 0.910 831 L HN 0.124 nan 8.230 nan 0.000 0.437 832 T N -0.325 114.343 114.554 0.190 0.000 2.708 832 T HA -0.153 4.199 4.350 0.004 0.000 0.266 832 T C 1.952 176.842 174.700 0.317 0.000 1.037 832 T CA 1.689 63.988 62.100 0.332 0.000 1.146 832 T CB -0.265 68.748 68.868 0.241 0.000 0.865 832 T HN 0.262 nan 8.240 nan 0.000 0.435 833 L N -0.831 120.549 121.223 0.263 0.000 2.093 833 L HA -0.062 4.280 4.340 0.004 0.000 0.208 833 L C 2.421 179.515 176.870 0.373 0.000 1.085 833 L CA 1.181 56.224 54.840 0.338 0.000 0.755 833 L CB -0.442 41.822 42.059 0.342 0.000 0.904 833 L HN 0.394 nan 8.230 nan 0.000 0.435 834 W N 0.781 122.125 121.300 0.073 0.000 2.355 834 W HA -0.231 4.431 4.660 0.004 0.000 0.309 834 W C 2.255 178.835 176.519 0.102 0.000 1.206 834 W CA 1.344 58.706 57.345 0.029 0.000 1.284 834 W CB -0.444 28.930 29.460 -0.142 0.000 1.145 834 W HN -0.018 nan 8.180 nan 0.000 0.502 835 F N 1.147 121.186 119.950 0.148 0.000 2.095 835 F HA -0.196 4.333 4.527 0.004 0.000 0.298 835 F C 2.380 178.150 175.800 -0.050 0.000 1.104 835 F CA 2.197 60.165 58.000 -0.053 0.000 1.232 835 F CB -1.300 37.758 39.000 0.096 0.000 0.987 835 F HN -0.014 nan 8.300 nan 0.000 0.475 836 E N -0.063 120.290 120.200 0.254 0.000 2.077 836 E HA -0.252 4.100 4.350 0.004 0.000 0.193 836 E C 2.226 178.879 176.600 0.088 0.000 0.989 836 E CA 1.323 57.817 56.400 0.158 0.000 0.800 836 E CB -0.222 29.582 29.700 0.174 0.000 0.746 836 E HN 0.322 nan 8.360 nan 0.000 0.452 837 K N 0.567 121.049 120.400 0.137 0.000 2.057 837 K HA -0.149 4.174 4.320 0.004 0.000 0.207 837 K C 2.176 178.790 176.600 0.024 0.000 1.049 837 K CA 1.350 57.722 56.287 0.142 0.000 0.931 837 K CB -0.138 32.562 32.500 0.334 0.000 0.714 837 K HN 0.168 nan 8.250 nan 0.000 0.440 838 C N 0.719 119.954 119.300 -0.109 0.000 2.413 838 C HA -0.093 4.369 4.460 0.004 0.000 0.276 838 C C 2.502 177.462 174.990 -0.051 0.000 1.248 838 C CA 0.535 59.465 59.018 -0.146 0.000 1.742 838 C CB -0.714 26.801 27.740 -0.374 0.000 2.017 838 C HN 0.485 nan 8.230 nan 0.000 0.481 839 I N 1.354 121.898 120.570 -0.043 0.000 2.133 839 I HA -0.155 4.018 4.170 0.004 0.000 0.238 839 I C 2.489 178.557 176.117 -0.081 0.000 1.074 839 I CA 1.964 63.231 61.300 -0.054 0.000 1.342 839 I CB -0.685 37.288 38.000 -0.044 0.000 1.053 839 I HN 0.294 nan 8.210 nan 0.000 0.404 840 V N -1.778 118.083 119.914 -0.088 0.000 2.913 840 V HA -0.119 4.003 4.120 0.004 0.000 0.260 840 V C 1.703 177.696 176.094 -0.168 0.000 1.098 840 V CA 1.422 63.633 62.300 -0.149 0.000 1.121 840 V CB -0.828 30.888 31.823 -0.179 0.000 0.714 840 V HN 0.420 nan 8.190 nan 0.000 0.487 841 E N 0.513 120.658 120.200 -0.093 0.000 2.489 841 E HA 0.069 4.422 4.350 0.004 0.000 0.193 841 E C 0.226 176.769 176.600 -0.095 0.000 1.057 841 E CA 0.361 56.722 56.400 -0.064 0.000 0.866 841 E CB 0.160 29.889 29.700 0.048 0.000 0.916 841 E HN 0.577 nan 8.360 nan 0.000 0.500 842 T N 1.952 116.444 114.554 -0.105 0.000 3.151 842 T HA 0.092 4.445 4.350 0.004 0.000 0.332 842 T C 0.808 175.386 174.700 -0.203 0.000 1.245 842 T CA -0.203 61.828 62.100 -0.115 0.000 1.019 842 T CB 0.601 69.472 68.868 0.005 0.000 1.109 842 T HN 0.135 nan 8.240 nan 0.000 0.621 843 E N 1.916 121.943 120.200 -0.288 0.000 2.077 843 E HA -0.120 4.232 4.350 0.004 0.000 0.193 843 E C 1.174 177.546 176.600 -0.380 0.000 0.989 843 E CA 0.407 56.480 56.400 -0.546 0.000 0.800 843 E CB 0.009 29.309 29.700 -0.667 0.000 0.746 843 E HN 0.505 nan 8.360 nan 0.000 0.452 844 N N 1.754 120.379 118.700 -0.126 0.000 2.411 844 N HA -0.093 4.649 4.740 0.004 0.000 0.261 844 N C 0.971 176.459 175.510 -0.036 0.000 1.248 844 N CA -0.100 52.948 53.050 -0.003 0.000 0.885 844 N CB 1.056 39.542 38.487 -0.001 0.000 1.062 844 N HN 0.016 nan 8.380 nan 0.000 0.471 845 L N 5.190 126.409 121.223 -0.006 0.000 1.971 845 L HA -0.190 4.152 4.340 0.004 0.000 0.215 845 L C 2.301 179.153 176.870 -0.030 0.000 1.072 845 L CA 2.007 56.830 54.840 -0.029 0.000 0.758 845 L CB -0.857 41.196 42.059 -0.009 0.000 0.889 845 L HN 0.765 nan 8.230 nan 0.000 0.433 846 E N -0.699 119.495 120.200 -0.010 0.000 2.058 846 E HA -0.278 4.074 4.350 0.004 0.000 0.194 846 E C 2.007 178.610 176.600 0.004 0.000 0.997 846 E CA 1.789 58.185 56.400 -0.006 0.000 0.801 846 E CB -0.162 29.540 29.700 0.003 0.000 0.746 846 E HN 0.690 nan 8.360 nan 0.000 0.450 847 E N -0.040 120.176 120.200 0.027 0.000 2.110 847 E HA -0.209 4.144 4.350 0.004 0.000 0.193 847 E C 2.267 178.907 176.600 0.068 0.000 0.988 847 E CA 0.752 57.206 56.400 0.090 0.000 0.804 847 E CB -0.142 29.645 29.700 0.144 0.000 0.745 847 E HN 0.167 nan 8.360 nan 0.000 0.458 848 R N 0.922 121.421 120.500 -0.000 0.000 2.115 848 R HA -0.105 4.237 4.340 0.004 0.000 0.230 848 R C 2.146 178.389 176.300 -0.095 0.000 1.111 848 R CA 0.797 56.867 56.100 -0.051 0.000 0.976 848 R CB 0.016 30.252 30.300 -0.106 0.000 0.870 848 R HN -0.004 nan 8.270 nan 0.000 0.445 849 V N 0.925 120.785 119.914 -0.090 0.000 2.515 849 V HA -0.170 3.953 4.120 0.004 0.000 0.250 849 V C 2.412 178.453 176.094 -0.089 0.000 1.058 849 V CA 1.764 63.995 62.300 -0.116 0.000 1.064 849 V CB -0.471 31.302 31.823 -0.085 0.000 0.675 849 V HN 0.533 nan 8.190 nan 0.000 0.461 850 A N -0.113 122.678 122.820 -0.048 0.000 1.898 850 A HA -0.132 4.190 4.320 0.004 0.000 0.216 850 A C 2.396 179.945 177.584 -0.057 0.000 1.181 850 A CA 1.939 53.952 52.037 -0.040 0.000 0.620 850 A CB -0.631 18.363 19.000 -0.010 0.000 0.819 850 A HN 0.315 nan 8.150 nan 0.000 0.442 851 V N -0.359 119.527 119.914 -0.047 0.000 2.255 851 V HA -0.256 3.866 4.120 0.004 0.000 0.247 851 V C 2.583 178.628 176.094 -0.083 0.000 1.051 851 V CA 2.127 64.395 62.300 -0.053 0.000 1.018 851 V CB -0.938 30.873 31.823 -0.020 0.000 0.641 851 V HN 0.361 nan 8.190 nan 0.000 0.445 852 V N -0.233 119.606 119.914 -0.125 0.000 2.255 852 V HA -0.289 3.834 4.120 0.004 0.000 0.247 852 V C 2.731 178.750 176.094 -0.125 0.000 1.051 852 V CA 2.495 64.698 62.300 -0.163 0.000 1.018 852 V CB -0.771 30.865 31.823 -0.311 0.000 0.641 852 V HN 0.645 nan 8.190 nan 0.000 0.445 853 S N -0.415 115.218 115.700 -0.112 0.000 2.370 853 S HA -0.298 4.175 4.470 0.004 0.000 0.226 853 S C 2.160 176.710 174.600 -0.083 0.000 1.033 853 S CA 2.125 60.275 58.200 -0.083 0.000 1.011 853 S CB -0.321 62.836 63.200 -0.071 0.000 0.852 853 S HN 0.487 nan 8.310 nan 0.000 0.457 854 R N 0.774 121.223 120.500 -0.085 0.000 2.115 854 R HA 0.177 4.520 4.340 0.004 0.000 0.230 854 R C 2.041 178.286 176.300 -0.091 0.000 1.111 854 R CA 1.547 57.595 56.100 -0.086 0.000 0.976 854 R CB -0.663 29.594 30.300 -0.071 0.000 0.870 854 R HN 0.584 nan 8.270 nan 0.000 0.445 855 I N -0.364 120.141 120.570 -0.108 0.000 2.439 855 I HA -0.194 3.978 4.170 0.004 0.000 0.251 855 I C 1.792 177.784 176.117 -0.208 0.000 1.139 855 I CA 1.015 62.196 61.300 -0.197 0.000 1.438 855 I CB -0.105 37.712 38.000 -0.304 0.000 1.085 855 I HN 0.129 nan 8.210 nan 0.000 0.427 856 I N 0.365 120.856 120.570 -0.132 0.000 2.546 856 I HA -0.206 3.967 4.170 0.004 0.000 0.255 856 I C 2.288 178.350 176.117 -0.092 0.000 1.163 856 I CA 1.138 62.385 61.300 -0.088 0.000 1.457 856 I CB -0.266 37.712 38.000 -0.037 0.000 1.092 856 I HN 0.235 nan 8.210 nan 0.000 0.434 857 E N 0.884 121.021 120.200 -0.105 0.000 2.107 857 E HA -0.151 4.202 4.350 0.004 0.000 0.191 857 E C 2.303 178.809 176.600 -0.157 0.000 0.982 857 E CA 1.073 57.409 56.400 -0.107 0.000 0.809 857 E CB 0.043 29.681 29.700 -0.103 0.000 0.756 857 E HN 0.506 nan 8.360 nan 0.000 0.459 858 I N 0.993 121.437 120.570 -0.211 0.000 2.315 858 I HA -0.238 3.934 4.170 0.004 0.000 0.248 858 I C 2.477 178.300 176.117 -0.490 0.000 1.117 858 I CA 0.406 61.474 61.300 -0.386 0.000 1.404 858 I CB -0.142 37.651 38.000 -0.346 0.000 1.071 858 I HN 0.147 nan 8.210 nan 0.000 0.419 859 L N 0.826 121.916 121.223 -0.221 0.000 2.042 859 L HA -0.262 4.080 4.340 0.004 0.000 0.210 859 L C 2.474 179.354 176.870 0.016 0.000 1.076 859 L CA 1.914 56.758 54.840 0.007 0.000 0.749 859 L CB -0.905 41.162 42.059 0.013 0.000 0.893 859 L HN 0.258 nan 8.230 nan 0.000 0.432 860 Q N -0.970 118.800 119.800 -0.051 0.000 2.084 860 Q HA -0.174 4.168 4.340 0.004 0.000 0.202 860 Q C 2.041 178.017 176.000 -0.040 0.000 0.978 860 Q CA 2.429 58.213 55.803 -0.031 0.000 0.844 860 Q CB -0.065 28.646 28.738 -0.045 0.000 0.898 860 Q HN 0.504 nan 8.270 nan 0.000 0.426 861 V N 0.358 120.206 119.914 -0.110 0.000 2.453 861 V HA -0.201 3.922 4.120 0.004 0.000 0.247 861 V C 1.960 178.043 176.094 -0.017 0.000 1.048 861 V CA 1.282 63.519 62.300 -0.106 0.000 1.049 861 V CB -0.669 31.040 31.823 -0.190 0.000 0.672 861 V HN 0.335 nan 8.190 nan 0.000 0.457 862 F N 0.671 120.575 119.950 -0.076 0.000 2.095 862 F HA -0.222 4.307 4.527 0.004 0.000 0.298 862 F C 2.592 178.306 175.800 -0.144 0.000 1.104 862 F CA 1.627 59.566 58.000 -0.102 0.000 1.232 862 F CB -0.974 37.982 39.000 -0.074 0.000 0.987 862 F HN 0.178 nan 8.300 nan 0.000 0.475 863 Q N -0.270 119.587 119.800 0.095 0.000 2.124 863 Q HA -0.200 4.143 4.340 0.004 0.000 0.202 863 Q C 2.114 178.083 176.000 -0.052 0.000 0.977 863 Q CA 1.600 57.388 55.803 -0.024 0.000 0.850 863 Q CB -0.115 28.640 28.738 0.029 0.000 0.901 863 Q HN 0.492 nan 8.270 nan 0.000 0.429 864 E N 0.081 120.274 120.200 -0.012 0.000 2.106 864 E HA -0.151 4.202 4.350 0.004 0.000 0.192 864 E C 1.504 178.101 176.600 -0.005 0.000 0.984 864 E CA 0.759 57.152 56.400 -0.011 0.000 0.806 864 E CB 0.039 29.732 29.700 -0.013 0.000 0.750 864 E HN 0.343 nan 8.360 nan 0.000 0.458 865 L N 0.974 122.205 121.223 0.012 0.000 2.627 865 L HA 0.051 4.394 4.340 0.004 0.000 0.233 865 L C 0.012 176.917 176.870 0.059 0.000 1.144 865 L CA -0.174 54.712 54.840 0.077 0.000 0.892 865 L CB -0.271 41.820 42.059 0.054 0.000 1.039 865 L HN 0.120 nan 8.230 nan 0.000 0.442 866 N N 0.735 119.343 118.700 -0.154 0.000 2.725 866 N HA -0.223 4.519 4.740 0.004 0.000 0.249 866 N C 0.140 175.318 175.510 -0.554 0.000 1.103 866 N CA 0.659 53.424 53.050 -0.475 0.000 0.707 866 N CB -1.493 36.864 38.487 -0.217 0.000 1.043 866 N HN 0.326 nan 8.380 nan 0.000 0.553 867 N N 0.648 119.126 118.700 -0.371 0.000 3.034 867 N HA 0.168 4.911 4.740 0.004 0.000 0.265 867 N C 0.700 175.996 175.510 -0.358 0.000 1.166 867 N CA -0.343 52.525 53.050 -0.304 0.000 1.081 867 N CB -0.494 37.816 38.487 -0.295 0.000 1.378 867 N HN 0.079 nan 8.380 nan 0.000 0.520 868 F N 0.965 120.896 119.950 -0.032 0.000 2.250 868 F HA -0.109 4.421 4.527 0.004 0.000 0.301 868 F C 2.150 177.918 175.800 -0.054 0.000 1.077 868 F CA 0.742 58.753 58.000 0.019 0.000 1.348 868 F CB -0.527 38.594 39.000 0.202 0.000 1.040 868 F HN 0.440 nan 8.300 nan 0.000 0.509 869 N N 0.308 119.052 118.700 0.074 0.000 2.106 869 N HA -0.104 4.638 4.740 0.004 0.000 0.188 869 N C 2.222 177.661 175.510 -0.119 0.000 1.029 869 N CA 1.545 54.630 53.050 0.058 0.000 0.848 869 N CB -0.673 37.857 38.487 0.072 0.000 1.007 869 N HN 0.177 nan 8.380 nan 0.000 0.423 870 G N 0.061 108.599 108.800 -0.437 0.000 2.421 870 G HA2 -0.199 3.763 3.960 0.004 0.000 0.216 870 G HA3 -0.199 3.763 3.960 0.004 0.000 0.216 870 G C 1.594 176.234 174.900 -0.433 0.000 1.171 870 G CA 1.055 45.582 45.100 -0.955 0.000 0.775 870 G HN 0.239 nan 8.290 nan 0.000 0.543 871 V N 1.085 120.871 119.914 -0.213 0.000 2.282 871 V HA -0.182 3.941 4.120 0.004 0.000 0.249 871 V C 2.906 179.019 176.094 0.032 0.000 1.057 871 V CA 1.679 64.010 62.300 0.051 0.000 1.032 871 V CB -0.408 31.477 31.823 0.104 0.000 0.645 871 V HN 0.364 nan 8.190 nan 0.000 0.447 872 L N -0.533 120.671 121.223 -0.032 0.000 2.217 872 L HA -0.133 4.209 4.340 0.004 0.000 0.211 872 L C 2.496 179.357 176.870 -0.015 0.000 1.107 872 L CA 1.261 56.049 54.840 -0.085 0.000 0.783 872 L CB -0.661 41.213 42.059 -0.309 0.000 0.919 872 L HN 0.441 nan 8.230 nan 0.000 0.442 873 E N -0.139 120.093 120.200 0.053 0.000 2.110 873 E HA -0.169 4.184 4.350 0.004 0.000 0.193 873 E C 2.278 178.997 176.600 0.197 0.000 0.988 873 E CA 1.084 57.585 56.400 0.167 0.000 0.804 873 E CB -0.048 29.809 29.700 0.263 0.000 0.745 873 E HN 0.270 nan 8.360 nan 0.000 0.458 874 V N 0.942 120.929 119.914 0.121 0.000 2.379 874 V HA -0.203 3.920 4.120 0.004 0.000 0.245 874 V C 2.333 178.426 176.094 -0.003 0.000 1.044 874 V CA 1.174 63.453 62.300 -0.037 0.000 1.036 874 V CB -0.241 31.525 31.823 -0.096 0.000 0.664 874 V HN 0.125 nan 8.190 nan 0.000 0.453 875 V N 0.119 120.041 119.914 0.013 0.000 2.332 875 V HA -0.253 3.869 4.120 0.004 0.000 0.248 875 V C 2.552 178.638 176.094 -0.012 0.000 1.055 875 V CA 2.398 64.694 62.300 -0.007 0.000 1.038 875 V CB -0.807 31.017 31.823 0.003 0.000 0.651 875 V HN 0.570 nan 8.190 nan 0.000 0.450 876 S N 0.276 115.986 115.700 0.016 0.000 2.382 876 S HA -0.155 4.318 4.470 0.004 0.000 0.228 876 S C 2.213 176.855 174.600 0.070 0.000 1.027 876 S CA 1.362 59.581 58.200 0.032 0.000 0.991 876 S CB -0.491 62.744 63.200 0.059 0.000 0.823 876 S HN 0.660 nan 8.310 nan 0.000 0.469 877 A N 2.078 124.966 122.820 0.112 0.000 1.877 877 A HA -0.054 4.269 4.320 0.004 0.000 0.216 877 A C 2.103 179.759 177.584 0.120 0.000 1.186 877 A CA 1.412 53.540 52.037 0.152 0.000 0.620 877 A CB -0.545 18.584 19.000 0.214 0.000 0.822 877 A HN 0.353 nan 8.150 nan 0.000 0.443 878 M N 0.356 120.007 119.600 0.086 0.000 2.213 878 M HA -0.066 4.416 4.480 0.004 0.000 0.263 878 M C 1.030 177.377 176.300 0.078 0.000 1.062 878 M CA 0.989 56.356 55.300 0.113 0.000 1.105 878 M CB -1.408 31.224 32.600 0.054 0.000 1.385 878 M HN 0.417 nan 8.290 nan 0.000 0.417 879 N N 0.667 119.378 118.700 0.019 0.000 2.280 879 N HA 0.030 4.773 4.740 0.004 0.000 0.192 879 N C 0.276 175.776 175.510 -0.016 0.000 1.109 879 N CA 0.008 53.050 53.050 -0.014 0.000 0.855 879 N CB 0.550 38.933 38.487 -0.174 0.000 0.974 879 N HN 0.325 nan 8.380 nan 0.000 0.482 880 S N -0.577 115.160 115.700 0.063 0.000 2.600 880 S HA 0.187 4.660 4.470 0.004 0.000 0.265 880 S C 1.495 176.164 174.600 0.115 0.000 1.325 880 S CA -0.491 57.750 58.200 0.067 0.000 1.002 880 S CB 1.531 64.791 63.200 0.100 0.000 0.921 880 S HN -0.019 nan 8.310 nan 0.000 0.554 881 S N 2.231 117.995 115.700 0.107 0.000 2.370 881 S HA -0.028 4.445 4.470 0.004 0.000 0.226 881 S C -0.933 173.873 174.600 0.343 0.000 1.033 881 S CA 1.635 59.956 58.200 0.202 0.000 1.011 881 S CB -1.472 61.792 63.200 0.107 0.000 0.852 881 S HN 0.714 nan 8.310 nan 0.000 0.457 882 P HA 0.066 nan 4.420 nan 0.000 0.218 882 P C 1.390 178.746 177.300 0.094 0.000 1.152 882 P CA 0.606 63.796 63.100 0.149 0.000 0.826 882 P CB -0.010 31.734 31.700 0.074 0.000 0.790 883 V N -1.577 118.424 119.914 0.146 0.000 2.446 883 V HA -0.183 3.939 4.120 0.004 0.000 0.244 883 V C 2.291 178.552 176.094 0.279 0.000 1.039 883 V CA 1.063 63.474 62.300 0.185 0.000 1.045 883 V CB -1.411 30.529 31.823 0.196 0.000 0.681 883 V HN -0.023 nan 8.190 nan 0.000 0.459 884 Y N 2.812 123.167 120.300 0.091 0.000 2.139 884 Y HA -0.319 4.233 4.550 0.004 0.000 0.282 884 Y C 2.609 178.522 175.900 0.021 0.000 1.179 884 Y CA 2.384 60.481 58.100 -0.004 0.000 1.161 884 Y CB -0.151 38.285 38.460 -0.041 0.000 0.970 884 Y HN 0.324 nan 8.280 nan 0.000 0.511 885 R N 0.266 120.839 120.500 0.121 0.000 2.313 885 R HA 0.092 4.434 4.340 0.004 0.000 0.199 885 R C 0.132 176.430 176.300 -0.002 0.000 0.958 885 R CA 0.383 56.497 56.100 0.023 0.000 1.047 885 R CB -0.720 29.643 30.300 0.104 0.000 0.955 885 R HN 0.324 nan 8.270 nan 0.000 0.481 886 L N 2.673 123.936 121.223 0.066 0.000 2.437 886 L HA 0.085 4.428 4.340 0.004 0.000 0.243 886 L C 0.211 177.136 176.870 0.090 0.000 1.346 886 L CA -0.345 54.531 54.840 0.060 0.000 1.233 886 L CB 0.173 42.247 42.059 0.026 0.000 1.436 886 L HN 0.097 nan 8.230 nan 0.000 0.416 887 D N -0.342 120.045 120.400 -0.022 0.000 2.133 887 D HA -0.216 4.427 4.640 0.004 0.000 0.195 887 D C 1.890 178.119 176.300 -0.118 0.000 0.997 887 D CA 1.499 55.441 54.000 -0.096 0.000 0.840 887 D CB 0.088 40.748 40.800 -0.234 0.000 0.947 887 D HN 0.469 nan 8.370 nan 0.000 0.452 888 H N 0.058 119.126 119.070 -0.004 0.000 2.456 888 H HA -0.018 4.540 4.556 0.004 0.000 0.296 888 H C 1.960 177.259 175.328 -0.047 0.000 1.079 888 H CA 1.305 57.341 56.048 -0.020 0.000 1.322 888 H CB -0.058 29.689 29.762 -0.024 0.000 1.388 888 H HN 0.155 nan 8.280 nan 0.000 0.538 889 T N 0.413 114.970 114.554 0.004 0.000 2.809 889 T HA -0.061 4.291 4.350 0.004 0.000 0.260 889 T C 1.750 176.322 174.700 -0.214 0.000 1.039 889 T CA 0.572 62.580 62.100 -0.154 0.000 1.141 889 T CB -0.363 68.314 68.868 -0.319 0.000 0.869 889 T HN 0.122 nan 8.240 nan 0.000 0.437 890 F N 1.625 121.536 119.950 -0.065 0.000 2.451 890 F HA 0.069 4.598 4.527 0.004 0.000 0.299 890 F C 2.351 178.110 175.800 -0.068 0.000 1.101 890 F CA 0.528 58.481 58.000 -0.079 0.000 1.436 890 F CB -0.324 38.606 39.000 -0.118 0.000 1.074 890 F HN 0.245 nan 8.300 nan 0.000 0.553 891 E N 0.313 120.563 120.200 0.083 0.000 2.072 891 E HA -0.204 4.149 4.350 0.004 0.000 0.191 891 E C 1.745 178.361 176.600 0.026 0.000 0.985 891 E CA 1.142 57.565 56.400 0.038 0.000 0.801 891 E CB -0.178 29.529 29.700 0.012 0.000 0.750 891 E HN 0.424 nan 8.360 nan 0.000 0.452 892 Q N -0.071 119.734 119.800 0.009 0.000 2.466 892 Q HA 0.047 4.390 4.340 0.004 0.000 0.210 892 Q C -0.307 175.683 176.000 -0.017 0.000 0.961 892 Q CA -0.218 55.581 55.803 -0.006 0.000 0.953 892 Q CB 0.380 29.110 28.738 -0.015 0.000 1.011 892 Q HN 0.314 nan 8.270 nan 0.000 0.516 893 I N 3.308 123.874 120.570 -0.006 0.000 2.441 893 I HA 0.138 4.310 4.170 0.004 0.000 0.287 893 I C -1.870 174.255 176.117 0.012 0.000 1.049 893 I CA -2.683 58.615 61.300 -0.003 0.000 1.381 893 I CB 0.490 38.514 38.000 0.039 0.000 1.409 893 I HN -0.052 nan 8.210 nan 0.000 0.523 894 P HA -0.042 nan 4.420 nan 0.000 0.266 894 P C 0.875 178.181 177.300 0.010 0.000 1.193 894 P CA 0.166 63.267 63.100 0.002 0.000 0.770 894 P CB 0.702 32.398 31.700 -0.005 0.000 0.836 895 S N 3.117 118.821 115.700 0.007 0.000 2.365 895 S HA -0.245 4.227 4.470 0.004 0.000 0.225 895 S C 1.925 176.530 174.600 0.008 0.000 1.039 895 S CA 1.859 60.064 58.200 0.008 0.000 1.033 895 S CB -0.584 62.619 63.200 0.004 0.000 0.887 895 S HN 0.633 nan 8.310 nan 0.000 0.447 896 R N 0.501 121.004 120.500 0.005 0.000 2.091 896 R HA -0.107 4.235 4.340 0.004 0.000 0.238 896 R C 2.346 178.650 176.300 0.007 0.000 1.136 896 R CA 1.890 57.992 56.100 0.004 0.000 0.959 896 R CB -0.722 29.577 30.300 -0.001 0.000 0.856 896 R HN 0.508 nan 8.270 nan 0.000 0.437 897 Q N 0.743 120.548 119.800 0.008 0.000 2.172 897 Q HA -0.050 4.293 4.340 0.004 0.000 0.200 897 Q C 1.963 177.981 176.000 0.029 0.000 0.964 897 Q CA 1.438 57.248 55.803 0.013 0.000 0.855 897 Q CB 0.030 28.773 28.738 0.009 0.000 0.918 897 Q HN 0.448 nan 8.270 nan 0.000 0.444 898 K N 1.090 121.511 120.400 0.035 0.000 2.057 898 K HA -0.166 4.157 4.320 0.004 0.000 0.207 898 K C 2.069 178.680 176.600 0.019 0.000 1.049 898 K CA 1.068 57.376 56.287 0.035 0.000 0.931 898 K CB -0.075 32.442 32.500 0.028 0.000 0.714 898 K HN 0.027 nan 8.250 nan 0.000 0.440 899 K N 1.267 121.676 120.400 0.015 0.000 2.103 899 K HA -0.142 4.181 4.320 0.004 0.000 0.207 899 K C 1.996 178.607 176.600 0.019 0.000 1.048 899 K CA 1.221 57.516 56.287 0.013 0.000 0.930 899 K CB -0.037 32.469 32.500 0.010 0.000 0.716 899 K HN 0.086 nan 8.250 nan 0.000 0.444 900 I N 0.787 121.369 120.570 0.020 0.000 2.202 900 I HA -0.274 3.899 4.170 0.004 0.000 0.242 900 I C 2.297 178.434 176.117 0.033 0.000 1.091 900 I CA 0.617 61.932 61.300 0.024 0.000 1.368 900 I CB -0.202 37.808 38.000 0.016 0.000 1.058 900 I HN 0.221 nan 8.210 nan 0.000 0.410 901 L N 1.049 122.291 121.223 0.031 0.000 2.131 901 L HA -0.206 4.136 4.340 0.004 0.000 0.210 901 L C 2.337 179.235 176.870 0.047 0.000 1.092 901 L CA 1.869 56.729 54.840 0.032 0.000 0.759 901 L CB -0.651 41.423 42.059 0.026 0.000 0.903 901 L HN 0.157 nan 8.230 nan 0.000 0.435 902 E N -0.256 119.968 120.200 0.040 0.000 2.047 902 E HA -0.190 4.163 4.350 0.004 0.000 0.191 902 E C 1.981 178.614 176.600 0.055 0.000 0.987 902 E CA 1.426 57.861 56.400 0.059 0.000 0.799 902 E CB -0.156 29.561 29.700 0.029 0.000 0.752 902 E HN 0.507 nan 8.360 nan 0.000 0.449 903 E N 0.632 120.855 120.200 0.039 0.000 2.085 903 E HA -0.200 4.152 4.350 0.004 0.000 0.194 903 E C 2.077 178.708 176.600 0.051 0.000 0.994 903 E CA 1.247 57.667 56.400 0.034 0.000 0.801 903 E CB -0.706 29.017 29.700 0.039 0.000 0.743 903 E HN 0.372 nan 8.360 nan 0.000 0.453 904 A N 1.615 124.478 122.820 0.072 0.000 1.865 904 A HA -0.255 4.068 4.320 0.004 0.000 0.217 904 A C 2.176 179.816 177.584 0.094 0.000 1.191 904 A CA 1.949 54.040 52.037 0.090 0.000 0.623 904 A CB -1.063 17.987 19.000 0.084 0.000 0.826 904 A HN 0.466 nan 8.150 nan 0.000 0.444 905 H N -0.491 118.562 119.070 -0.027 0.000 2.353 905 H HA -0.103 4.456 4.556 0.004 0.000 0.300 905 H C 1.915 177.193 175.328 -0.084 0.000 1.090 905 H CA 1.525 57.534 56.048 -0.064 0.000 1.327 905 H CB 0.025 29.748 29.762 -0.064 0.000 1.383 905 H HN 0.626 nan 8.280 nan 0.000 0.508 906 E N 0.550 120.650 120.200 -0.165 0.000 2.267 906 E HA -0.150 4.203 4.350 0.004 0.000 0.197 906 E C 2.451 178.949 176.600 -0.170 0.000 0.998 906 E CA 0.490 56.748 56.400 -0.236 0.000 0.830 906 E CB 0.099 29.730 29.700 -0.116 0.000 0.751 906 E HN 0.531 nan 8.360 nan 0.000 0.491 907 L N 0.694 121.872 121.223 -0.075 0.000 2.042 907 L HA -0.218 4.125 4.340 0.004 0.000 0.210 907 L C 2.605 179.420 176.870 -0.090 0.000 1.076 907 L CA 1.605 56.449 54.840 0.006 0.000 0.749 907 L CB -0.494 41.637 42.059 0.121 0.000 0.893 907 L HN 0.239 nan 8.230 nan 0.000 0.432 908 S N -1.826 113.695 115.700 -0.299 0.000 2.461 908 S HA -0.037 4.435 4.470 0.004 0.000 0.228 908 S C 0.758 174.926 174.600 -0.721 0.000 1.005 908 S CA -0.119 57.587 58.200 -0.823 0.000 0.942 908 S CB -0.316 62.428 63.200 -0.761 0.000 0.776 908 S HN 0.358 nan 8.310 nan 0.000 0.514 909 E N 1.703 121.619 120.200 -0.473 0.000 2.436 909 E HA 0.057 4.409 4.350 0.004 0.000 0.262 909 E C -0.280 176.149 176.600 -0.285 0.000 1.063 909 E CA 0.338 56.502 56.400 -0.393 0.000 0.944 909 E CB 0.101 29.582 29.700 -0.364 0.000 0.950 909 E HN 0.276 nan 8.360 nan 0.000 0.444 910 D N 2.208 122.453 120.400 -0.259 0.000 2.735 910 D HA -0.263 4.379 4.640 0.004 0.000 0.235 910 D C -0.825 175.445 176.300 -0.050 0.000 1.175 910 D CA 0.973 54.880 54.000 -0.154 0.000 0.683 910 D CB -1.254 39.516 40.800 -0.050 0.000 1.008 910 D HN 0.691 nan 8.370 nan 0.000 0.416 911 H N -0.276 118.753 119.070 -0.069 0.000 2.791 911 H HA -0.276 4.283 4.556 0.004 0.000 0.302 911 H C 0.501 175.934 175.328 0.176 0.000 1.198 911 H CA 1.303 57.380 56.048 0.048 0.000 1.145 911 H CB -1.929 27.875 29.762 0.071 0.000 1.385 911 H HN 0.619 nan 8.280 nan 0.000 0.409 912 Y N -2.030 118.296 120.300 0.043 0.000 4.177 912 Y HA -0.339 4.214 4.550 0.004 0.000 0.227 912 Y C 1.934 177.897 175.900 0.104 0.000 1.154 912 Y CA 1.519 59.666 58.100 0.079 0.000 1.887 912 Y CB -1.490 37.046 38.460 0.126 0.000 1.594 912 Y HN 0.451 nan 8.280 nan 0.000 0.668 913 K N 0.779 121.264 120.400 0.142 0.000 2.020 913 K HA -0.247 4.076 4.320 0.004 0.000 0.212 913 K C 1.827 178.460 176.600 0.055 0.000 1.050 913 K CA 2.159 58.500 56.287 0.090 0.000 0.929 913 K CB -0.097 32.432 32.500 0.048 0.000 0.714 913 K HN 0.499 nan 8.250 nan 0.000 0.443 914 K N -0.580 119.844 120.400 0.039 0.000 2.057 914 K HA -0.190 4.132 4.320 0.004 0.000 0.206 914 K C 2.175 178.783 176.600 0.013 0.000 1.050 914 K CA 1.540 57.836 56.287 0.016 0.000 0.935 914 K CB -0.361 32.142 32.500 0.006 0.000 0.715 914 K HN 0.246 nan 8.250 nan 0.000 0.439 915 Y N 2.019 122.297 120.300 -0.037 0.000 2.081 915 Y HA -0.253 4.299 4.550 0.004 0.000 0.280 915 Y C 1.726 177.510 175.900 -0.193 0.000 1.163 915 Y CA 1.504 59.541 58.100 -0.106 0.000 1.135 915 Y CB -0.473 38.012 38.460 0.042 0.000 0.970 915 Y HN -0.072 nan 8.280 nan 0.000 0.498 916 L N 0.008 121.056 121.223 -0.292 0.000 2.079 916 L HA -0.255 4.088 4.340 0.004 0.000 0.210 916 L C 2.816 179.505 176.870 -0.302 0.000 1.081 916 L CA 1.222 55.841 54.840 -0.369 0.000 0.752 916 L CB -1.080 40.929 42.059 -0.083 0.000 0.896 916 L HN 0.415 nan 8.230 nan 0.000 0.433 917 A N 0.125 122.834 122.820 -0.185 0.000 1.873 917 A HA -0.237 4.085 4.320 0.004 0.000 0.215 917 A C 2.308 179.791 177.584 -0.169 0.000 1.186 917 A CA 1.888 53.849 52.037 -0.127 0.000 0.616 917 A CB -0.414 18.547 19.000 -0.066 0.000 0.823 917 A HN 0.213 nan 8.150 nan 0.000 0.442 918 K N -0.222 120.047 120.400 -0.219 0.000 2.001 918 K HA -0.168 4.155 4.320 0.004 0.000 0.214 918 K C 1.786 178.206 176.600 -0.301 0.000 1.050 918 K CA 1.862 58.027 56.287 -0.203 0.000 0.934 918 K CB -0.771 31.612 32.500 -0.194 0.000 0.718 918 K HN 0.323 nan 8.250 nan 0.000 0.443 919 L N 1.118 121.929 121.223 -0.686 0.000 2.079 919 L HA -0.119 4.224 4.340 0.004 0.000 0.210 919 L C 1.948 178.682 176.870 -0.227 0.000 1.081 919 L CA 1.765 56.215 54.840 -0.650 0.000 0.752 919 L CB -0.348 41.090 42.059 -1.034 0.000 0.896 919 L HN 0.163 nan 8.230 nan 0.000 0.433 920 R N -0.987 119.407 120.500 -0.177 0.000 2.237 920 R HA -0.037 4.306 4.340 0.004 0.000 0.219 920 R C 2.024 178.325 176.300 0.001 0.000 1.080 920 R CA 1.094 57.174 56.100 -0.033 0.000 0.995 920 R CB -0.211 30.060 30.300 -0.049 0.000 0.875 920 R HN 0.661 nan 8.270 nan 0.000 0.462 921 S N -0.250 115.439 115.700 -0.018 0.000 2.512 921 S HA 0.078 4.551 4.470 0.004 0.000 0.216 921 S C 0.765 175.394 174.600 0.048 0.000 1.006 921 S CA -0.631 57.578 58.200 0.016 0.000 0.915 921 S CB -0.133 63.070 63.200 0.004 0.000 0.824 921 S HN 0.162 nan 8.310 nan 0.000 0.497 922 I N 0.903 121.519 120.570 0.076 0.000 3.211 922 I HA 0.549 4.722 4.170 0.004 0.000 0.297 922 I C -0.106 176.068 176.117 0.096 0.000 1.095 922 I CA -0.917 60.446 61.300 0.106 0.000 1.239 922 I CB -0.084 38.026 38.000 0.183 0.000 1.455 922 I HN 0.020 nan 8.210 nan 0.000 0.630 923 N N 2.783 121.529 118.700 0.076 0.000 2.501 923 N HA 0.491 5.234 4.740 0.004 0.000 0.245 923 N C -2.534 173.007 175.510 0.052 0.000 0.974 923 N CA -2.011 51.077 53.050 0.063 0.000 0.941 923 N CB 0.692 39.204 38.487 0.042 0.000 1.122 923 N HN 0.520 nan 8.380 nan 0.000 0.507 924 P HA 0.150 nan 4.420 nan 0.000 0.272 924 P C -2.574 174.695 177.300 -0.052 0.000 1.248 924 P CA -0.782 62.336 63.100 0.030 0.000 0.799 924 P CB -0.509 31.268 31.700 0.128 0.000 0.997 925 P HA 0.008 nan 4.420 nan 0.000 0.267 925 P C -0.236 176.866 177.300 -0.330 0.000 1.200 925 P CA 0.204 63.069 63.100 -0.391 0.000 0.772 925 P CB 0.241 31.379 31.700 -0.937 0.000 0.855 926 C N 0.133 119.344 119.300 -0.149 0.000 3.291 926 C HA 0.701 5.164 4.460 0.004 0.000 0.316 926 C C -0.753 174.252 174.990 0.025 0.000 1.391 926 C CA -0.755 58.264 59.018 0.001 0.000 1.394 926 C CB 1.224 28.961 27.740 -0.004 0.000 1.744 926 C HN 0.330 nan 8.230 nan 0.000 0.461 927 V N 2.959 122.870 119.914 -0.005 0.000 2.380 927 V HA 0.441 4.563 4.120 0.004 0.000 0.272 927 V C -2.032 173.979 176.094 -0.138 0.000 1.011 927 V CA -0.858 61.355 62.300 -0.145 0.000 0.826 927 V CB 1.123 32.920 31.823 -0.043 0.000 1.040 927 V HN 0.886 nan 8.190 nan 0.000 0.441 928 P HA 0.088 nan 4.420 nan 0.000 0.271 928 P C -0.618 176.716 177.300 0.057 0.000 1.244 928 P CA -0.268 62.788 63.100 -0.072 0.000 0.793 928 P CB 0.866 32.440 31.700 -0.210 0.000 0.984 929 F N 1.236 121.161 119.950 -0.042 0.000 2.404 929 F HA 0.256 4.785 4.527 0.004 0.000 0.358 929 F C 0.753 176.481 175.800 -0.120 0.000 1.120 929 F CA -0.985 56.934 58.000 -0.136 0.000 1.144 929 F CB -0.099 38.639 39.000 -0.437 0.000 1.133 929 F HN 0.112 nan 8.300 nan 0.000 0.495 930 F N 4.210 123.843 119.950 -0.528 0.000 2.293 930 F HA 0.044 4.574 4.527 0.004 0.000 0.300 930 F C 2.263 177.592 175.800 -0.785 0.000 1.086 930 F CA 1.734 59.499 58.000 -0.391 0.000 1.375 930 F CB -0.533 38.373 39.000 -0.156 0.000 1.045 930 F HN 0.667 nan 8.300 nan 0.000 0.516 931 G N 0.722 108.643 108.800 -1.466 0.000 2.505 931 G HA2 -0.291 3.672 3.960 0.004 0.000 0.220 931 G HA3 -0.291 3.672 3.960 0.004 0.000 0.220 931 G C 1.722 176.314 174.900 -0.513 0.000 1.145 931 G CA 1.157 45.673 45.100 -0.972 0.000 0.761 931 G HN 0.255 nan 8.290 nan 0.000 0.571 932 I N 0.132 120.303 120.570 -0.665 0.000 2.163 932 I HA -0.154 4.018 4.170 0.004 0.000 0.243 932 I C 2.566 178.545 176.117 -0.229 0.000 1.085 932 I CA 0.925 61.986 61.300 -0.397 0.000 1.347 932 I CB -1.399 36.301 38.000 -0.501 0.000 1.044 932 I HN 0.181 nan 8.210 nan 0.000 0.408 933 Y N 0.891 121.079 120.300 -0.187 0.000 2.181 933 Y HA -0.151 4.402 4.550 0.004 0.000 0.288 933 Y C 2.628 178.486 175.900 -0.070 0.000 1.146 933 Y CA 0.831 58.848 58.100 -0.137 0.000 1.164 933 Y CB -1.082 37.211 38.460 -0.278 0.000 0.982 933 Y HN 0.076 nan 8.280 nan 0.000 0.515 934 L N -1.052 120.205 121.223 0.056 0.000 2.017 934 L HA -0.243 4.099 4.340 0.004 0.000 0.208 934 L C 2.314 179.337 176.870 0.256 0.000 1.073 934 L CA 1.921 56.743 54.840 -0.030 0.000 0.745 934 L CB -1.097 40.868 42.059 -0.158 0.000 0.894 934 L HN 0.170 nan 8.230 nan 0.000 0.432 935 T N -0.478 114.178 114.554 0.171 0.000 2.788 935 T HA -0.134 4.218 4.350 0.004 0.000 0.268 935 T C 1.720 176.517 174.700 0.162 0.000 1.044 935 T CA 1.304 63.513 62.100 0.181 0.000 1.139 935 T CB -0.223 68.723 68.868 0.130 0.000 0.867 935 T HN 0.280 nan 8.240 nan 0.000 0.454 936 N N 0.933 119.715 118.700 0.136 0.000 2.171 936 N HA 0.107 4.849 4.740 0.004 0.000 0.184 936 N C 1.865 177.458 175.510 0.138 0.000 1.021 936 N CA 0.734 53.856 53.050 0.120 0.000 0.854 936 N CB -0.317 38.237 38.487 0.113 0.000 0.994 936 N HN 0.373 nan 8.380 nan 0.000 0.426 937 I N 0.391 121.076 120.570 0.191 0.000 2.252 937 I HA -0.233 3.939 4.170 0.004 0.000 0.245 937 I C 2.144 178.403 176.117 0.238 0.000 1.102 937 I CA 0.608 62.040 61.300 0.219 0.000 1.385 937 I CB -0.105 38.070 38.000 0.291 0.000 1.064 937 I HN 0.067 nan 8.210 nan 0.000 0.414 938 L N 1.056 122.468 121.223 0.314 0.000 1.994 938 L HA -0.221 4.121 4.340 0.004 0.000 0.208 938 L C 2.431 179.352 176.870 0.085 0.000 1.071 938 L CA 1.956 56.899 54.840 0.171 0.000 0.745 938 L CB -0.612 41.557 42.059 0.184 0.000 0.892 938 L HN 0.055 nan 8.230 nan 0.000 0.431 939 K N -1.370 119.086 120.400 0.092 0.000 2.063 939 K HA -0.160 4.163 4.320 0.004 0.000 0.208 939 K C 1.891 178.513 176.600 0.037 0.000 1.048 939 K CA 1.976 58.295 56.287 0.053 0.000 0.928 939 K CB -0.447 32.085 32.500 0.054 0.000 0.713 939 K HN 0.398 nan 8.250 nan 0.000 0.442 940 T N 1.373 115.956 114.554 0.048 0.000 2.788 940 T HA -0.114 4.239 4.350 0.004 0.000 0.268 940 T C 1.596 176.304 174.700 0.014 0.000 1.044 940 T CA 1.099 63.214 62.100 0.026 0.000 1.139 940 T CB -0.061 68.824 68.868 0.029 0.000 0.867 940 T HN 0.212 nan 8.240 nan 0.000 0.454 941 E N 1.498 121.713 120.200 0.025 0.000 2.072 941 E HA -0.102 4.250 4.350 0.004 0.000 0.191 941 E C 1.685 178.279 176.600 -0.011 0.000 0.985 941 E CA 1.000 57.403 56.400 0.005 0.000 0.801 941 E CB -0.117 29.586 29.700 0.005 0.000 0.750 941 E HN 0.801 nan 8.360 nan 0.000 0.452 942 E N -0.739 119.455 120.200 -0.010 0.000 2.511 942 E HA 0.320 4.672 4.350 0.004 0.000 0.214 942 E C 0.754 177.347 176.600 -0.011 0.000 1.062 942 E CA -0.015 56.375 56.400 -0.017 0.000 1.213 942 E CB 0.492 30.175 29.700 -0.027 0.000 1.214 942 E HN 0.066 nan 8.360 nan 0.000 0.441 943 G N 0.770 109.565 108.800 -0.008 0.000 3.815 943 G HA2 0.104 4.066 3.960 0.004 0.000 0.265 943 G HA3 0.104 4.066 3.960 0.004 0.000 0.265 943 G C -0.368 174.525 174.900 -0.013 0.000 1.026 943 G CA -0.340 44.755 45.100 -0.008 0.000 0.868 943 G HN 0.063 nan 8.290 nan 0.000 0.476 944 N N 1.492 120.182 118.700 -0.016 0.000 2.336 944 N HA 0.332 5.075 4.740 0.004 0.000 0.290 944 N C -3.109 172.387 175.510 -0.024 0.000 1.058 944 N CA -0.803 52.234 53.050 -0.022 0.000 0.865 944 N CB 3.359 41.830 38.487 -0.027 0.000 1.581 944 N HN -0.043 nan 8.380 nan 0.000 0.480 945 P HA 0.117 nan 4.420 nan 0.000 0.272 945 P C 0.299 177.582 177.300 -0.029 0.000 1.223 945 P CA -0.006 63.079 63.100 -0.025 0.000 0.784 945 P CB 1.618 33.303 31.700 -0.026 0.000 0.923 946 E N 0.260 120.446 120.200 -0.024 0.000 2.216 946 E HA 0.010 4.363 4.350 0.004 0.000 0.192 946 E C 0.830 177.407 176.600 -0.039 0.000 0.988 946 E CA 0.970 57.356 56.400 -0.022 0.000 0.834 946 E CB 0.020 29.717 29.700 -0.005 0.000 0.772 946 E HN 0.443 nan 8.360 nan 0.000 0.479 947 V N -2.102 117.790 119.914 -0.036 0.000 3.078 947 V HA 0.580 4.703 4.120 0.004 0.000 0.311 947 V C -0.698 175.371 176.094 -0.041 0.000 1.138 947 V CA -1.106 61.167 62.300 -0.046 0.000 1.007 947 V CB 2.250 34.051 31.823 -0.037 0.000 1.045 947 V HN -0.105 nan 8.190 nan 0.000 0.432 948 L N 2.151 123.346 121.223 -0.046 0.000 2.365 948 L HA 0.651 4.993 4.340 0.004 0.000 0.273 948 L C -0.204 176.639 176.870 -0.044 0.000 1.000 948 L CA -0.745 54.069 54.840 -0.044 0.000 0.819 948 L CB 2.211 44.243 42.059 -0.045 0.000 1.284 948 L HN 0.689 nan 8.230 nan 0.000 0.418 949 K N 3.682 124.055 120.400 -0.045 0.000 2.159 949 K HA 0.622 4.945 4.320 0.004 0.000 0.266 949 K C -0.851 175.709 176.600 -0.067 0.000 0.975 949 K CA -0.954 55.305 56.287 -0.045 0.000 0.865 949 K CB 1.712 34.189 32.500 -0.039 0.000 1.087 949 K HN 0.350 nan 8.250 nan 0.000 0.446 950 R N 2.018 122.482 120.500 -0.061 0.000 2.515 950 R HA 0.179 4.522 4.340 0.004 0.000 0.291 950 R C -0.665 175.616 176.300 -0.032 0.000 1.046 950 R CA -0.681 55.353 56.100 -0.110 0.000 0.914 950 R CB 0.928 31.194 30.300 -0.056 0.000 1.191 950 R HN 0.797 nan 8.270 nan 0.000 0.435 951 H N 1.460 120.521 119.070 -0.014 0.000 2.655 951 H HA -0.259 4.299 4.556 0.004 0.000 0.313 951 H C 1.144 176.464 175.328 -0.013 0.000 1.141 951 H CA 1.591 57.632 56.048 -0.012 0.000 1.138 951 H CB -0.895 28.860 29.762 -0.011 0.000 1.446 951 H HN 1.128 nan 8.280 nan 0.000 0.415 952 G N -0.864 107.965 108.800 0.048 0.000 2.454 952 G HA2 -0.339 3.624 3.960 0.004 0.000 0.225 952 G HA3 -0.339 3.624 3.960 0.004 0.000 0.225 952 G C 0.376 175.287 174.900 0.018 0.000 1.138 952 G CA 0.289 45.407 45.100 0.030 0.000 0.667 952 G HN 0.369 nan 8.290 nan 0.000 0.512 953 K N 1.915 122.332 120.400 0.028 0.000 2.436 953 K HA 0.342 4.664 4.320 0.004 0.000 0.275 953 K C 0.002 176.598 176.600 -0.006 0.000 0.999 953 K CA 0.090 56.384 56.287 0.011 0.000 0.980 953 K CB 0.767 33.276 32.500 0.015 0.000 0.919 953 K HN 0.587 nan 8.250 nan 0.000 0.484 954 E N 2.996 123.189 120.200 -0.011 0.000 2.042 954 E HA 0.179 4.532 4.350 0.004 0.000 0.260 954 E C -0.294 176.287 176.600 -0.031 0.000 0.975 954 E CA -0.293 56.095 56.400 -0.020 0.000 0.799 954 E CB 0.494 30.186 29.700 -0.013 0.000 1.131 954 E HN 0.302 nan 8.360 nan 0.000 0.423 955 L N 3.037 124.234 121.223 -0.044 0.000 2.418 955 L HA 0.303 4.646 4.340 0.004 0.000 0.265 955 L C 0.504 177.320 176.870 -0.091 0.000 1.143 955 L CA -0.871 53.929 54.840 -0.066 0.000 0.809 955 L CB 0.545 42.562 42.059 -0.069 0.000 1.124 955 L HN 0.331 nan 8.230 nan 0.000 0.456 956 I N 2.141 122.623 120.570 -0.146 0.000 2.533 956 I HA -0.029 4.143 4.170 0.004 0.000 0.284 956 I C 0.470 176.488 176.117 -0.164 0.000 1.109 956 I CA 0.102 61.258 61.300 -0.240 0.000 1.412 956 I CB 0.132 37.806 38.000 -0.542 0.000 1.396 956 I HN 0.573 nan 8.210 nan 0.000 0.543 957 N N 5.654 124.279 118.700 -0.124 0.000 2.448 957 N HA -0.015 4.728 4.740 0.004 0.000 0.250 957 N C 0.457 175.943 175.510 -0.039 0.000 1.136 957 N CA 0.063 53.074 53.050 -0.064 0.000 0.953 957 N CB -0.050 38.402 38.487 -0.058 0.000 1.251 957 N HN 0.413 nan 8.380 nan 0.000 0.502 958 F N 2.537 122.381 119.950 -0.176 0.000 2.367 958 F HA -0.042 4.488 4.527 0.004 0.000 0.298 958 F C 2.344 178.075 175.800 -0.115 0.000 1.094 958 F CA 0.956 58.856 58.000 -0.167 0.000 1.409 958 F CB -0.198 38.713 39.000 -0.149 0.000 1.064 958 F HN 0.560 nan 8.300 nan 0.000 0.528 959 S N -0.295 115.365 115.700 -0.067 0.000 2.399 959 S HA -0.263 4.210 4.470 0.004 0.000 0.231 959 S C 2.192 176.694 174.600 -0.163 0.000 1.022 959 S CA 1.326 59.456 58.200 -0.117 0.000 0.983 959 S CB -0.727 62.449 63.200 -0.039 0.000 0.803 959 S HN 0.513 nan 8.310 nan 0.000 0.480 960 K N 0.948 121.267 120.400 -0.136 0.000 2.057 960 K HA -0.058 4.265 4.320 0.004 0.000 0.207 960 K C 2.345 178.845 176.600 -0.167 0.000 1.049 960 K CA 1.046 57.263 56.287 -0.116 0.000 0.931 960 K CB -0.079 32.375 32.500 -0.078 0.000 0.714 960 K HN 0.201 nan 8.250 nan 0.000 0.440 961 R N 0.498 120.837 120.500 -0.268 0.000 2.092 961 R HA 0.030 4.372 4.340 0.004 0.000 0.231 961 R C 2.305 178.356 176.300 -0.415 0.000 1.119 961 R CA 1.279 57.181 56.100 -0.331 0.000 0.970 961 R CB -0.194 29.850 30.300 -0.426 0.000 0.864 961 R HN 0.212 nan 8.270 nan 0.000 0.440 962 R N 0.404 120.568 120.500 -0.561 0.000 2.105 962 R HA -0.107 4.235 4.340 0.004 0.000 0.239 962 R C 1.961 178.130 176.300 -0.218 0.000 1.135 962 R CA 1.409 57.255 56.100 -0.423 0.000 0.967 962 R CB -0.222 29.864 30.300 -0.356 0.000 0.861 962 R HN 0.215 nan 8.270 nan 0.000 0.442 963 K N 0.290 120.587 120.400 -0.171 0.000 2.057 963 K HA -0.062 4.260 4.320 0.004 0.000 0.206 963 K C 2.112 178.670 176.600 -0.070 0.000 1.050 963 K CA 1.139 57.369 56.287 -0.094 0.000 0.935 963 K CB -0.024 32.435 32.500 -0.069 0.000 0.715 963 K HN -0.022 nan 8.250 nan 0.000 0.439 964 V N 1.202 121.070 119.914 -0.078 0.000 2.358 964 V HA -0.203 3.919 4.120 0.004 0.000 0.246 964 V C 2.233 178.297 176.094 -0.051 0.000 1.047 964 V CA 1.994 64.271 62.300 -0.040 0.000 1.035 964 V CB -0.494 31.313 31.823 -0.028 0.000 0.658 964 V HN 0.340 nan 8.190 nan 0.000 0.452 965 A N -0.675 122.093 122.820 -0.087 0.000 2.066 965 A HA -0.188 4.135 4.320 0.004 0.000 0.218 965 A C 2.149 179.690 177.584 -0.072 0.000 1.157 965 A CA 1.579 53.571 52.037 -0.075 0.000 0.670 965 A CB -0.378 18.563 19.000 -0.098 0.000 0.804 965 A HN 0.577 nan 8.150 nan 0.000 0.453 966 E N -0.113 120.042 120.200 -0.075 0.000 2.106 966 E HA -0.112 4.241 4.350 0.004 0.000 0.192 966 E C 1.741 178.304 176.600 -0.063 0.000 0.984 966 E CA 1.213 57.577 56.400 -0.061 0.000 0.806 966 E CB -0.183 29.487 29.700 -0.050 0.000 0.750 966 E HN 0.711 nan 8.360 nan 0.000 0.458 967 I N 0.400 120.935 120.570 -0.058 0.000 2.202 967 I HA -0.244 3.928 4.170 0.004 0.000 0.242 967 I C 2.608 178.612 176.117 -0.188 0.000 1.091 967 I CA 1.554 62.804 61.300 -0.084 0.000 1.368 967 I CB -0.652 37.336 38.000 -0.020 0.000 1.058 967 I HN 0.259 nan 8.210 nan 0.000 0.410 968 T N -1.112 113.365 114.554 -0.129 0.000 2.881 968 T HA -0.089 4.263 4.350 0.004 0.000 0.270 968 T C 1.942 176.556 174.700 -0.143 0.000 1.068 968 T CA 1.163 63.182 62.100 -0.134 0.000 1.131 968 T CB -1.033 67.805 68.868 -0.051 0.000 0.871 968 T HN 0.441 nan 8.240 nan 0.000 0.479 969 G N 0.987 109.718 108.800 -0.116 0.000 2.404 969 G HA2 -0.151 3.812 3.960 0.004 0.000 0.215 969 G HA3 -0.151 3.812 3.960 0.004 0.000 0.215 969 G C 1.424 176.234 174.900 -0.151 0.000 1.174 969 G CA 0.764 45.801 45.100 -0.105 0.000 0.780 969 G HN 0.641 nan 8.290 nan 0.000 0.537 970 E N 0.115 120.210 120.200 -0.174 0.000 2.058 970 E HA -0.127 4.225 4.350 0.004 0.000 0.194 970 E C 2.495 178.952 176.600 -0.238 0.000 0.997 970 E CA 0.876 57.159 56.400 -0.196 0.000 0.801 970 E CB -0.209 29.430 29.700 -0.101 0.000 0.746 970 E HN 0.506 nan 8.360 nan 0.000 0.450 971 I N 0.816 121.157 120.570 -0.382 0.000 2.163 971 I HA -0.339 3.834 4.170 0.004 0.000 0.243 971 I C 2.641 178.692 176.117 -0.109 0.000 1.085 971 I CA 1.484 62.568 61.300 -0.360 0.000 1.347 971 I CB -0.317 37.342 38.000 -0.569 0.000 1.044 971 I HN 0.235 nan 8.210 nan 0.000 0.408 972 Q N -0.079 119.635 119.800 -0.144 0.000 2.170 972 Q HA -0.248 4.094 4.340 0.004 0.000 0.203 972 Q C 2.260 178.223 176.000 -0.062 0.000 0.976 972 Q CA 1.106 56.853 55.803 -0.093 0.000 0.858 972 Q CB -0.206 28.474 28.738 -0.098 0.000 0.907 972 Q HN 0.465 nan 8.270 nan 0.000 0.433 973 Q N 0.178 119.895 119.800 -0.138 0.000 2.084 973 Q HA -0.182 4.160 4.340 0.004 0.000 0.202 973 Q C 1.031 176.944 176.000 -0.146 0.000 0.978 973 Q CA 1.472 57.156 55.803 -0.199 0.000 0.844 973 Q CB 0.004 28.528 28.738 -0.357 0.000 0.898 973 Q HN 0.488 nan 8.270 nan 0.000 0.426 974 Y N 0.624 120.987 120.300 0.105 0.000 2.578 974 Y HA 0.033 4.585 4.550 0.004 0.000 0.297 974 Y C 1.727 177.810 175.900 0.305 0.000 1.176 974 Y CA 0.525 58.731 58.100 0.176 0.000 1.315 974 Y CB 0.212 38.780 38.460 0.180 0.000 1.031 974 Y HN 0.246 nan 8.280 nan 0.000 0.524 975 Q N -0.953 119.047 119.800 0.334 0.000 2.356 975 Q HA 0.005 4.347 4.340 0.004 0.000 0.205 975 Q C 1.347 177.451 176.000 0.173 0.000 0.901 975 Q CA 0.029 55.993 55.803 0.269 0.000 0.938 975 Q CB 0.265 29.048 28.738 0.075 0.000 1.081 975 Q HN 0.428 nan 8.270 nan 0.000 0.517 976 N N 1.090 119.865 118.700 0.125 0.000 2.173 976 N HA -0.072 4.670 4.740 0.004 0.000 0.184 976 N C 0.063 175.624 175.510 0.086 0.000 1.025 976 N CA 0.803 53.909 53.050 0.094 0.000 0.852 976 N CB 0.071 38.589 38.487 0.052 0.000 0.998 976 N HN 0.233 nan 8.380 nan 0.000 0.427 977 Q N 2.074 121.921 119.800 0.078 0.000 2.286 977 Q HA 0.240 4.582 4.340 0.004 0.000 0.267 977 Q C -2.169 173.849 176.000 0.029 0.000 1.028 977 Q CA -0.851 54.974 55.803 0.037 0.000 0.901 977 Q CB 0.523 29.269 28.738 0.013 0.000 1.183 977 Q HN 0.292 nan 8.270 nan 0.000 0.392 978 P HA 0.169 nan 4.420 nan 0.000 0.293 978 P C -1.301 176.124 177.300 0.208 0.000 1.291 978 P CA -0.723 62.466 63.100 0.149 0.000 0.867 978 P CB 0.817 32.597 31.700 0.134 0.000 1.074 979 Y N 0.351 120.775 120.300 0.207 0.000 2.377 979 Y HA 0.092 4.645 4.550 0.004 0.000 0.330 979 Y C 1.323 177.226 175.900 0.005 0.000 1.108 979 Y CA 0.086 58.248 58.100 0.104 0.000 1.308 979 Y CB 0.458 38.945 38.460 0.045 0.000 1.216 979 Y HN 0.391 nan 8.280 nan 0.000 0.518 980 C N 7.860 127.056 119.300 -0.174 0.000 2.400 980 C HA 0.542 5.004 4.460 0.004 0.000 0.457 980 C C -0.555 174.251 174.990 -0.306 0.000 1.020 980 C CA -0.653 57.886 59.018 -0.799 0.000 1.258 980 C CB -2.808 24.228 27.740 -1.172 0.000 1.532 980 C HN 0.666 nan 8.230 nan 0.000 0.537 981 L N 3.731 124.881 121.223 -0.121 0.000 2.422 981 L HA 0.548 4.891 4.340 0.004 0.000 0.264 981 L C -0.129 176.722 176.870 -0.030 0.000 0.984 981 L CA -0.761 54.040 54.840 -0.066 0.000 0.819 981 L CB 1.773 43.809 42.059 -0.038 0.000 1.330 981 L HN 0.369 nan 8.230 nan 0.000 0.410 982 R N 1.419 121.899 120.500 -0.033 0.000 2.308 982 R HA 0.501 4.843 4.340 0.004 0.000 0.305 982 R C -1.005 175.303 176.300 0.013 0.000 1.053 982 R CA -0.422 55.680 56.100 0.004 0.000 0.957 982 R CB 1.221 31.525 30.300 0.006 0.000 1.022 982 R HN 0.398 nan 8.270 nan 0.000 0.461 983 V N 3.969 123.908 119.914 0.042 0.000 2.614 983 V HA 0.100 4.223 4.120 0.004 0.000 0.291 983 V C 0.030 176.167 176.094 0.072 0.000 1.049 983 V CA -0.030 62.302 62.300 0.054 0.000 1.038 983 V CB 1.225 33.090 31.823 0.069 0.000 0.980 983 V HN 0.785 nan 8.190 nan 0.000 0.481 984 E N 3.511 123.759 120.200 0.080 0.000 2.149 984 E HA 0.337 4.689 4.350 0.004 0.000 0.255 984 E C 0.777 177.476 176.600 0.165 0.000 0.888 984 E CA -0.174 56.304 56.400 0.130 0.000 0.742 984 E CB 1.269 31.024 29.700 0.091 0.000 1.164 984 E HN 0.541 nan 8.360 nan 0.000 0.422 985 S N 3.652 119.447 115.700 0.159 0.000 2.378 985 S HA -0.235 4.238 4.470 0.004 0.000 0.229 985 S C 0.966 175.681 174.600 0.192 0.000 1.052 985 S CA 1.909 60.199 58.200 0.151 0.000 1.084 985 S CB -0.276 62.995 63.200 0.118 0.000 0.950 985 S HN 0.690 nan 8.310 nan 0.000 0.440 986 D N 0.951 121.505 120.400 0.256 0.000 2.144 986 D HA -0.027 4.615 4.640 0.004 0.000 0.199 986 D C 1.871 178.460 176.300 0.482 0.000 0.984 986 D CA 0.871 55.064 54.000 0.321 0.000 0.834 986 D CB -0.336 40.698 40.800 0.391 0.000 0.955 986 D HN 0.402 nan 8.370 nan 0.000 0.465 987 I N 0.798 121.639 120.570 0.453 0.000 2.353 987 I HA -0.184 3.988 4.170 0.004 0.000 0.248 987 I C 2.506 178.827 176.117 0.340 0.000 1.119 987 I CA 0.700 62.195 61.300 0.326 0.000 1.417 987 I CB -0.145 37.904 38.000 0.082 0.000 1.078 987 I HN -0.066 nan 8.210 nan 0.000 0.421 988 K N 1.445 122.010 120.400 0.275 0.000 2.026 988 K HA -0.230 4.092 4.320 0.004 0.000 0.208 988 K C 2.341 179.076 176.600 0.226 0.000 1.048 988 K CA 1.592 58.028 56.287 0.248 0.000 0.929 988 K CB -0.044 32.554 32.500 0.162 0.000 0.713 988 K HN 0.066 nan 8.250 nan 0.000 0.439 989 R N -0.288 120.320 120.500 0.181 0.000 2.081 989 R HA -0.138 4.204 4.340 0.004 0.000 0.235 989 R C 2.206 178.552 176.300 0.077 0.000 1.131 989 R CA 1.710 57.877 56.100 0.112 0.000 0.960 989 R CB -0.472 29.880 30.300 0.086 0.000 0.856 989 R HN 0.272 nan 8.270 nan 0.000 0.436 990 F N -0.255 119.678 119.950 -0.029 0.000 2.126 990 F HA -0.210 4.319 4.527 0.004 0.000 0.299 990 F C 1.318 176.937 175.800 -0.302 0.000 1.096 990 F CA 1.523 59.415 58.000 -0.181 0.000 1.255 990 F CB -0.178 38.702 39.000 -0.199 0.000 0.997 990 F HN -0.029 nan 8.300 nan 0.000 0.479 991 F N 0.651 120.596 119.950 -0.009 0.000 2.615 991 F HA 0.050 4.579 4.527 0.004 0.000 0.297 991 F C 2.166 177.868 175.800 -0.163 0.000 1.124 991 F CA 0.763 58.652 58.000 -0.186 0.000 1.451 991 F CB -0.637 38.370 39.000 0.011 0.000 1.103 991 F HN 0.075 nan 8.300 nan 0.000 0.569 992 E N -0.352 119.885 120.200 0.060 0.000 2.170 992 E HA -0.051 4.301 4.350 0.004 0.000 0.191 992 E C 1.030 177.595 176.600 -0.059 0.000 0.981 992 E CA 0.521 56.943 56.400 0.037 0.000 0.830 992 E CB -0.052 29.678 29.700 0.050 0.000 0.775 992 E HN 0.251 nan 8.360 nan 0.000 0.470 993 N N 0.574 119.188 118.700 -0.144 0.000 2.268 993 N HA 0.082 4.825 4.740 0.004 0.000 0.204 993 N C -0.081 175.261 175.510 -0.280 0.000 1.124 993 N CA 0.139 53.082 53.050 -0.178 0.000 0.838 993 N CB 0.386 38.779 38.487 -0.157 0.000 0.994 993 N HN 0.111 nan 8.380 nan 0.000 0.489 994 L N 1.291 122.291 121.223 -0.372 0.000 2.455 994 L HA 0.055 4.398 4.340 0.004 0.000 0.272 994 L C 0.290 176.996 176.870 -0.273 0.000 1.174 994 L CA 0.272 54.834 54.840 -0.465 0.000 0.869 994 L CB 0.253 41.949 42.059 -0.606 0.000 1.130 994 L HN 0.046 nan 8.230 nan 0.000 0.474 995 N N 4.267 122.838 118.700 -0.216 0.000 2.751 995 N HA 0.268 5.010 4.740 0.004 0.000 0.238 995 N C -2.038 173.394 175.510 -0.131 0.000 1.351 995 N CA -1.140 51.816 53.050 -0.157 0.000 0.751 995 N CB 1.191 39.597 38.487 -0.135 0.000 1.342 995 N HN 0.107 nan 8.380 nan 0.000 0.540 996 P HA -0.071 nan 4.420 nan 0.000 0.215 996 P C 1.477 178.481 177.300 -0.494 0.000 1.153 996 P CA 1.202 64.243 63.100 -0.098 0.000 0.853 996 P CB 0.291 32.008 31.700 0.029 0.000 0.788 997 M N -1.775 117.408 119.600 -0.696 0.000 2.229 997 M HA 0.002 4.484 4.480 0.004 0.000 0.264 997 M C 1.527 177.613 176.300 -0.357 0.000 1.063 997 M CA 1.448 56.251 55.300 -0.828 0.000 1.114 997 M CB -1.026 31.257 32.600 -0.528 0.000 1.387 997 M HN 0.077 nan 8.290 nan 0.000 0.420 998 G N 1.033 109.702 108.800 -0.218 0.000 2.556 998 G HA2 -0.325 3.637 3.960 0.004 0.000 0.283 998 G HA3 -0.325 3.637 3.960 0.004 0.000 0.283 998 G C 0.331 175.177 174.900 -0.090 0.000 1.177 998 G CA 0.379 45.408 45.100 -0.118 0.000 0.978 998 G HN 0.463 nan 8.290 nan 0.000 0.554 999 N N 1.433 120.098 118.700 -0.058 0.000 2.280 999 N HA 0.206 4.949 4.740 0.004 0.000 0.192 999 N C 0.739 176.236 175.510 -0.022 0.000 1.109 999 N CA 0.816 53.844 53.050 -0.037 0.000 0.855 999 N CB 0.344 38.818 38.487 -0.023 0.000 0.974 999 N HN 0.460 nan 8.380 nan 0.000 0.482 1000 S N 1.037 116.724 115.700 -0.022 0.000 2.593 1000 S HA 0.278 4.750 4.470 0.004 0.000 0.269 1000 S C 0.656 175.276 174.600 0.033 0.000 1.334 1000 S CA -0.236 57.980 58.200 0.028 0.000 1.015 1000 S CB 0.953 64.210 63.200 0.096 0.000 0.912 1000 S HN 0.057 nan 8.310 nan 0.000 0.541 1001 M N 1.781 121.422 119.600 0.068 0.000 2.342 1001 M HA 0.274 4.756 4.480 0.004 0.000 0.332 1001 M C 1.632 178.003 176.300 0.119 0.000 1.166 1001 M CA -0.455 54.885 55.300 0.068 0.000 1.086 1001 M CB 0.340 32.974 32.600 0.058 0.000 1.541 1001 M HN 0.898 nan 8.290 nan 0.000 0.462 1002 E N 1.942 122.205 120.200 0.106 0.000 2.068 1002 E HA -0.302 4.051 4.350 0.004 0.000 0.207 1002 E C 1.653 178.357 176.600 0.173 0.000 1.032 1002 E CA 2.501 58.990 56.400 0.148 0.000 0.839 1002 E CB 0.087 29.850 29.700 0.105 0.000 0.758 1002 E HN 0.620 nan 8.360 nan 0.000 0.457 1003 K N 0.260 120.730 120.400 0.117 0.000 2.032 1003 K HA -0.226 4.096 4.320 0.004 0.000 0.209 1003 K C 2.031 178.704 176.600 0.121 0.000 1.048 1003 K CA 2.015 58.361 56.287 0.099 0.000 0.927 1003 K CB -0.063 32.476 32.500 0.065 0.000 0.712 1003 K HN 0.196 nan 8.250 nan 0.000 0.441 1004 E N -0.163 120.117 120.200 0.134 0.000 2.058 1004 E HA -0.223 4.130 4.350 0.004 0.000 0.194 1004 E C 1.933 178.662 176.600 0.215 0.000 0.997 1004 E CA 1.519 58.007 56.400 0.147 0.000 0.801 1004 E CB -0.316 29.460 29.700 0.125 0.000 0.746 1004 E HN 0.314 nan 8.360 nan 0.000 0.450 1005 F N 1.801 121.816 119.950 0.107 0.000 2.102 1005 F HA -0.190 4.339 4.527 0.003 0.000 0.298 1005 F C 2.410 178.338 175.800 0.214 0.000 1.105 1005 F CA 1.656 59.751 58.000 0.159 0.000 1.239 1005 F CB -0.621 38.448 39.000 0.114 0.000 0.991 1005 F HN -0.131 nan 8.300 nan 0.000 0.474 1006 T N 0.094 114.712 114.554 0.107 0.000 2.759 1006 T HA -0.198 4.155 4.350 0.004 0.000 0.269 1006 T C 1.465 176.163 174.700 -0.004 0.000 1.042 1006 T CA 1.849 63.953 62.100 0.006 0.000 1.140 1006 T CB -0.371 68.549 68.868 0.087 0.000 0.864 1006 T HN 0.254 nan 8.240 nan 0.000 0.455 1007 D N -0.368 120.066 120.400 0.056 0.000 2.183 1007 D HA -0.028 4.615 4.640 0.004 0.000 0.203 1007 D C 1.614 177.971 176.300 0.095 0.000 0.969 1007 D CA 0.617 54.669 54.000 0.087 0.000 0.842 1007 D CB -0.337 40.516 40.800 0.090 0.000 0.957 1007 D HN 0.481 nan 8.370 nan 0.000 0.484 1008 Y N 1.501 121.770 120.300 -0.053 0.000 2.181 1008 Y HA -0.140 4.413 4.550 0.003 0.000 0.288 1008 Y C 2.013 177.835 175.900 -0.131 0.000 1.146 1008 Y CA 1.286 59.339 58.100 -0.078 0.000 1.164 1008 Y CB -0.449 37.958 38.460 -0.089 0.000 0.982 1008 Y HN -0.092 nan 8.280 nan 0.000 0.515 1009 L N -1.282 119.702 121.223 -0.399 0.000 2.083 1009 L HA -0.196 4.146 4.340 0.004 0.000 0.209 1009 L C 2.297 179.023 176.870 -0.240 0.000 1.083 1009 L CA 1.483 56.060 54.840 -0.437 0.000 0.752 1009 L CB -0.695 41.160 42.059 -0.341 0.000 0.899 1009 L HN 0.275 nan 8.230 nan 0.000 0.433 1010 F N 1.106 120.922 119.950 -0.224 0.000 2.163 1010 F HA -0.149 4.380 4.527 0.003 0.000 0.297 1010 F C 2.429 178.144 175.800 -0.142 0.000 1.094 1010 F CA 1.319 59.236 58.000 -0.138 0.000 1.290 1010 F CB -0.234 38.719 39.000 -0.077 0.000 1.017 1010 F HN 0.097 nan 8.300 nan 0.000 0.483 1011 N N 0.556 119.196 118.700 -0.099 0.000 2.120 1011 N HA -0.165 4.577 4.740 0.004 0.000 0.188 1011 N C 1.863 177.210 175.510 -0.273 0.000 1.024 1011 N CA 0.985 53.940 53.050 -0.158 0.000 0.852 1011 N CB -0.395 38.061 38.487 -0.051 0.000 1.003 1011 N HN 0.195 nan 8.380 nan 0.000 0.424 1012 K N 0.902 121.075 120.400 -0.379 0.000 2.103 1012 K HA -0.039 4.284 4.320 0.004 0.000 0.207 1012 K C 2.081 178.481 176.600 -0.333 0.000 1.048 1012 K CA 0.521 56.573 56.287 -0.392 0.000 0.930 1012 K CB -0.527 31.641 32.500 -0.553 0.000 0.716 1012 K HN 0.098 nan 8.250 nan 0.000 0.444 1013 S N 0.690 116.173 115.700 -0.362 0.000 2.383 1013 S HA -0.019 4.453 4.470 0.004 0.000 0.227 1013 S C 1.970 176.366 174.600 -0.341 0.000 1.026 1013 S CA 0.625 58.618 58.200 -0.344 0.000 0.981 1013 S CB 0.009 62.971 63.200 -0.397 0.000 0.818 1013 S HN 0.219 nan 8.310 nan 0.000 0.472 1014 L N 0.978 121.959 121.223 -0.403 0.000 2.156 1014 L HA 0.029 4.372 4.340 0.004 0.000 0.208 1014 L C 2.706 179.490 176.870 -0.143 0.000 1.095 1014 L CA 1.456 56.127 54.840 -0.281 0.000 0.770 1014 L CB -0.485 41.406 42.059 -0.281 0.000 0.914 1014 L HN 0.465 nan 8.230 nan 0.000 0.439 1015 E N 1.410 121.526 120.200 -0.140 0.000 2.047 1015 E HA -0.223 4.129 4.350 0.004 0.000 0.191 1015 E C 2.265 178.865 176.600 -0.001 0.000 0.987 1015 E CA 1.548 57.924 56.400 -0.040 0.000 0.799 1015 E CB -0.042 29.627 29.700 -0.053 0.000 0.752 1015 E HN 0.632 nan 8.360 nan 0.000 0.449 1016 I N -1.807 118.638 120.570 -0.208 0.000 2.353 1016 I HA 0.032 4.205 4.170 0.004 0.000 0.248 1016 I C 0.430 176.496 176.117 -0.086 0.000 1.119 1016 I CA 1.007 62.095 61.300 -0.353 0.000 1.417 1016 I CB 0.002 37.703 38.000 -0.498 0.000 1.078 1016 I HN -0.108 nan 8.210 nan 0.000 0.421 1017 E N 2.036 122.197 120.200 -0.066 0.000 2.731 1017 E HA 0.408 4.760 4.350 0.004 0.000 0.248 1017 E C -2.460 174.137 176.600 -0.004 0.000 1.084 1017 E CA -2.088 54.317 56.400 0.009 0.000 0.776 1017 E CB 1.482 31.203 29.700 0.034 0.000 1.404 1017 E HN 0.173 nan 8.360 nan 0.000 0.395 1018 P HA -0.033 nan 4.420 nan 0.000 0.270 1018 P C -0.210 177.097 177.300 0.011 0.000 1.227 1018 P CA 0.047 63.148 63.100 0.000 0.000 0.788 1018 P CB 0.668 32.377 31.700 0.016 0.000 0.926 1019 R N 1.591 122.092 120.500 0.002 0.000 2.615 1019 R HA 0.232 4.575 4.340 0.004 0.000 0.270 1019 R C 0.485 176.801 176.300 0.027 0.000 1.081 1019 R CA -0.477 55.633 56.100 0.016 0.000 1.154 1019 R CB 0.220 30.532 30.300 0.020 0.000 1.063 1019 R HN 0.525 nan 8.270 nan 0.000 0.519 1020 N N 1.789 120.507 118.700 0.030 0.000 2.444 1020 N HA 0.054 4.796 4.740 0.004 0.000 0.255 1020 N C -1.652 173.872 175.510 0.023 0.000 1.255 1020 N CA -0.701 52.367 53.050 0.030 0.000 0.933 1020 N CB 0.549 39.053 38.487 0.028 0.000 1.143 1020 N HN 0.351 nan 8.380 nan 0.000 0.453 1021 P HA 0.094 nan 4.420 nan 0.000 0.249 1021 P C -0.021 177.290 177.300 0.018 0.000 1.229 1021 P CA 0.231 63.342 63.100 0.019 0.000 0.788 1021 P CB 0.328 32.037 31.700 0.014 0.000 1.072 1022 K N 1.766 122.175 120.400 0.016 0.000 2.472 1022 K HA 0.080 4.403 4.320 0.004 0.000 0.280 1022 K C -2.195 174.413 176.600 0.013 0.000 1.028 1022 K CA -1.248 55.045 56.287 0.010 0.000 1.045 1022 K CB 0.033 32.538 32.500 0.009 0.000 0.902 1022 K HN -0.008 nan 8.250 nan 0.000 0.478 1023 P HA 0.002 nan 4.420 nan 0.000 0.274 1023 P C -1.062 176.220 177.300 -0.030 0.000 1.246 1023 P CA -0.644 62.448 63.100 -0.013 0.000 0.795 1023 P CB 0.481 32.166 31.700 -0.025 0.000 1.006 1024 L N 4.225 125.404 121.223 -0.074 0.000 2.361 1024 L HA 0.307 4.649 4.340 0.004 0.000 0.278 1024 L C -1.859 174.965 176.870 -0.076 0.000 1.113 1024 L CA -1.380 53.399 54.840 -0.101 0.000 0.849 1024 L CB -0.627 41.245 42.059 -0.310 0.000 1.155 1024 L HN 0.330 nan 8.230 nan 0.000 0.452 1025 P HA 0.351 nan 4.420 nan 0.000 0.293 1025 P C -1.150 176.067 177.300 -0.139 0.000 1.304 1025 P CA -0.618 62.399 63.100 -0.137 0.000 0.767 1025 P CB 0.850 32.409 31.700 -0.236 0.000 1.247 1026 R N -0.853 119.437 120.500 -0.351 0.000 2.740 1026 R HA 0.654 4.997 4.340 0.004 0.000 0.282 1026 R C -0.852 175.135 176.300 -0.522 0.000 0.969 1026 R CA -0.454 55.513 56.100 -0.222 0.000 0.918 1026 R CB 1.304 31.518 30.300 -0.144 0.000 1.175 1026 R HN 0.368 nan 8.270 nan 0.000 0.464 1027 F N 1.420 121.331 119.950 -0.065 0.000 2.588 1027 F HA 0.478 5.007 4.527 0.003 0.000 0.314 1027 F C -1.888 173.872 175.800 -0.066 0.000 1.069 1027 F CA -2.516 55.446 58.000 -0.064 0.000 0.931 1027 F CB 1.252 40.210 39.000 -0.070 0.000 1.260 1027 F HN 0.314 nan 8.300 nan 0.000 0.465 1028 P HA 0.203 nan 4.420 nan 0.000 0.278 1028 P C -1.040 176.259 177.300 -0.002 0.000 1.238 1028 P CA -0.553 62.562 63.100 0.024 0.000 0.794 1028 P CB 1.106 32.805 31.700 -0.001 0.000 0.955 1029 K N 1.603 121.984 120.400 -0.032 0.000 2.469 1029 K HA -0.039 4.283 4.320 0.004 0.000 0.274 1029 K C 1.338 177.848 176.600 -0.150 0.000 0.983 1029 K CA 0.352 56.592 56.287 -0.078 0.000 0.974 1029 K CB 0.410 32.878 32.500 -0.052 0.000 0.913 1029 K HN 0.493 nan 8.250 nan 0.000 0.493 1030 K N 0.077 120.295 120.400 -0.304 0.000 2.425 1030 K HA 0.090 4.412 4.320 0.004 0.000 0.201 1030 K C -0.420 175.887 176.600 -0.488 0.000 1.128 1030 K CA -0.031 56.008 56.287 -0.412 0.000 1.000 1030 K CB 0.293 32.469 32.500 -0.540 0.000 0.961 1030 K HN 0.269 nan 8.250 nan 0.000 0.555 1031 Y N 1.875 122.052 120.300 -0.206 0.000 2.334 1031 Y HA 0.221 4.774 4.550 0.004 0.000 0.328 1031 Y C 1.473 177.128 175.900 -0.409 0.000 1.130 1031 Y CA -0.962 56.874 58.100 -0.441 0.000 1.163 1031 Y CB 2.001 40.109 38.460 -0.587 0.000 1.207 1031 Y HN 0.150 nan 8.280 nan 0.000 0.471 1032 S N 0.817 116.327 115.700 -0.317 0.000 2.503 1032 S HA 0.073 4.545 4.470 0.004 0.000 0.215 1032 S C -0.026 174.523 174.600 -0.086 0.000 1.003 1032 S CA -0.186 57.927 58.200 -0.145 0.000 0.910 1032 S CB -0.537 62.634 63.200 -0.049 0.000 0.790 1032 S HN 0.508 nan 8.310 nan 0.000 0.514 1033 Y N 1.968 122.311 120.300 0.072 0.000 2.354 1033 Y HA 0.774 5.327 4.550 0.004 0.000 0.322 1033 Y C -2.543 173.364 175.900 0.012 0.000 1.253 1033 Y CA -3.883 54.226 58.100 0.016 0.000 1.272 1033 Y CB -0.909 37.539 38.460 -0.021 0.000 1.255 1033 Y HN -0.106 nan 8.280 nan 0.000 0.500 1034 P HA 0.048 nan 4.420 nan 0.000 0.266 1034 P C 0.083 177.497 177.300 0.191 0.000 1.195 1034 P CA 0.040 63.224 63.100 0.140 0.000 0.768 1034 P CB 1.292 33.042 31.700 0.084 0.000 0.838 1035 L N 0.361 121.654 121.223 0.118 0.000 2.567 1035 L HA 0.135 4.477 4.340 0.004 0.000 0.225 1035 L C 1.452 178.357 176.870 0.059 0.000 1.119 1035 L CA 0.033 54.927 54.840 0.090 0.000 0.871 1035 L CB -0.369 41.721 42.059 0.053 0.000 1.036 1035 L HN 0.434 nan 8.230 nan 0.000 0.459 1036 K N 1.612 122.048 120.400 0.059 0.000 2.447 1036 K HA -0.002 4.321 4.320 0.004 0.000 0.281 1036 K C 0.414 177.021 176.600 0.011 0.000 1.031 1036 K CA 0.023 56.327 56.287 0.028 0.000 1.019 1036 K CB 0.703 33.222 32.500 0.032 0.000 0.918 1036 K HN -0.067 nan 8.250 nan 0.000 0.476 1037 S N 4.526 120.190 115.700 -0.061 0.000 2.565 1037 S HA 0.214 4.687 4.470 0.004 0.000 0.276 1037 S C -1.320 173.157 174.600 -0.205 0.000 1.326 1037 S CA -1.413 56.681 58.200 -0.176 0.000 1.045 1037 S CB 0.862 63.967 63.200 -0.158 0.000 0.918 1037 S HN 0.647 nan 8.310 nan 0.000 0.505 1038 P HA 0.221 nan 4.420 nan 0.000 0.241 1038 P C 0.753 177.949 177.300 -0.174 0.000 1.191 1038 P CA 0.666 63.584 63.100 -0.302 0.000 0.771 1038 P CB -0.688 30.657 31.700 -0.591 0.000 0.929 1039 G N 0.270 108.963 108.800 -0.179 0.000 2.756 1039 G HA2 -0.148 3.815 3.960 0.004 0.000 0.678 1039 G HA3 -0.148 3.815 3.960 0.004 0.000 0.678 1039 G C 0.109 175.005 174.900 -0.006 0.000 1.349 1039 G CA -0.341 44.712 45.100 -0.077 0.000 0.847 1039 G HN 0.266 nan 8.290 nan 0.000 0.548 1040 V N -2.759 117.150 119.914 -0.009 0.000 3.121 1040 V HA 0.531 4.654 4.120 0.004 0.000 0.344 1040 V C 0.695 176.781 176.094 -0.014 0.000 1.390 1040 V CA -0.080 62.220 62.300 0.001 0.000 1.177 1040 V CB 0.138 31.936 31.823 -0.042 0.000 1.163 1040 V HN 0.631 nan 8.190 nan 0.000 0.484 1041 R N 3.294 123.792 120.500 -0.003 0.000 2.229 1041 R HA 0.491 4.833 4.340 0.004 0.000 0.328 1041 R C -2.615 173.671 176.300 -0.024 0.000 1.009 1041 R CA -1.810 54.280 56.100 -0.017 0.000 0.864 1041 R CB 1.158 31.453 30.300 -0.009 0.000 1.085 1041 R HN 0.351 nan 8.270 nan 0.000 0.453 1042 P HA 0.089 nan 4.420 nan 0.000 0.271 1042 P C -0.476 176.795 177.300 -0.048 0.000 1.216 1042 P CA -0.136 62.915 63.100 -0.081 0.000 0.776 1042 P CB 0.860 32.504 31.700 -0.092 0.000 0.881 1043 S N 1.846 117.516 115.700 -0.049 0.000 2.616 1043 S HA 0.224 4.697 4.470 0.004 0.000 0.277 1043 S C 0.542 175.130 174.600 -0.021 0.000 1.234 1043 S CA -0.395 57.794 58.200 -0.018 0.000 1.028 1043 S CB 0.247 63.450 63.200 0.005 0.000 0.988 1043 S HN 0.531 nan 8.310 nan 0.000 0.522 1044 N N 2.592 121.287 118.700 -0.008 0.000 2.818 1044 N HA 0.370 5.112 4.740 0.004 0.000 0.301 1044 N C -2.669 172.842 175.510 0.002 0.000 1.821 1044 N CA -1.156 51.891 53.050 -0.007 0.000 0.930 1044 N CB 0.160 38.643 38.487 -0.008 0.000 1.263 1044 N HN 0.438 nan 8.380 nan 0.000 0.487 1045 P HA 0.620 nan 4.420 nan 0.000 0.318 1045 P C -1.288 176.023 177.300 0.018 0.000 1.443 1045 P CA -0.590 62.519 63.100 0.015 0.000 1.190 1045 P CB 2.542 34.255 31.700 0.021 0.000 1.641 1046 R N 0.000 120.511 120.500 0.018 0.000 2.786 1046 R HA 0.000 4.342 4.340 0.004 0.000 0.208 1046 R CA 0.000 56.113 56.100 0.022 0.000 0.921 1046 R CB 0.000 30.310 30.300 0.017 0.000 0.687 1046 R HN 0.000 nan 8.270 nan 0.000 0.535