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 1nvw_1_S 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 0.000 176.020 176.000 0.034 0.000 1.003 566 Q CA 0.000 55.819 55.803 0.027 0.000 1.022 566 Q CB 0.000 28.753 28.738 0.026 0.000 1.108 567 M N 1.349 120.968 119.600 0.031 0.000 2.342 567 M HA 0.412 4.895 4.480 0.004 0.000 0.260 567 M C -2.061 174.236 176.300 -0.004 0.000 1.023 567 M CA -0.151 55.172 55.300 0.039 0.000 0.919 567 M CB 1.643 34.298 32.600 0.092 0.000 2.048 567 M HN 0.411 nan 8.290 nan 0.000 0.479 568 R N 4.037 124.497 120.500 -0.067 0.000 2.234 568 R HA 0.519 4.862 4.340 0.004 0.000 0.324 568 R C -0.593 175.556 176.300 -0.252 0.000 1.054 568 R CA -0.698 55.316 56.100 -0.144 0.000 0.912 568 R CB 0.612 30.807 30.300 -0.174 0.000 1.030 568 R HN 0.472 nan 8.270 nan 0.000 0.455 569 L N 3.960 125.061 121.223 -0.204 0.000 2.468 569 L HA 0.393 4.735 4.340 0.004 0.000 0.254 569 L C -1.576 175.132 176.870 -0.271 0.000 1.171 569 L CA -2.175 52.501 54.840 -0.274 0.000 0.809 569 L CB -0.301 41.644 42.059 -0.190 0.000 1.155 569 L HN 0.368 nan 8.230 nan 0.000 0.473 570 P HA 0.054 nan 4.420 nan 0.000 0.271 570 P C -0.407 176.864 177.300 -0.048 0.000 1.244 570 P CA -0.347 62.648 63.100 -0.174 0.000 0.793 570 P CB 0.410 32.022 31.700 -0.146 0.000 0.984 571 S N 0.307 115.987 115.700 -0.033 0.000 2.533 571 S HA 0.248 4.721 4.470 0.004 0.000 0.282 571 S C 1.312 175.941 174.600 0.048 0.000 1.304 571 S CA -0.050 58.147 58.200 -0.004 0.000 1.063 571 S CB -0.195 62.996 63.200 -0.015 0.000 0.881 571 S HN 0.453 nan 8.310 nan 0.000 0.493 572 A N 3.934 126.772 122.820 0.030 0.000 2.225 572 A HA -0.009 4.314 4.320 0.004 0.000 0.215 572 A C 1.496 179.083 177.584 0.005 0.000 1.164 572 A CA 1.185 53.236 52.037 0.024 0.000 0.710 572 A CB -0.302 18.699 19.000 0.003 0.000 0.780 572 A HN 0.895 nan 8.150 nan 0.000 0.473 573 D N -0.834 119.573 120.400 0.012 0.000 2.354 573 D HA 0.024 4.666 4.640 0.004 0.000 0.209 573 D C 1.593 177.906 176.300 0.022 0.000 1.015 573 D CA 1.435 55.438 54.000 0.004 0.000 0.867 573 D CB 0.526 41.325 40.800 -0.001 0.000 0.933 573 D HN 0.496 nan 8.370 nan 0.000 0.520 574 V N -2.908 117.040 119.914 0.057 0.000 3.502 574 V HA 0.289 4.411 4.120 0.004 0.000 0.288 574 V C -0.352 175.860 176.094 0.197 0.000 1.461 574 V CA -0.398 61.956 62.300 0.090 0.000 1.029 574 V CB -0.036 31.828 31.823 0.070 0.000 0.843 574 V HN -0.047 nan 8.190 nan 0.000 0.438 575 Y N 1.970 122.275 120.300 0.007 0.000 2.422 575 Y HA 0.523 5.076 4.550 0.004 0.000 0.344 575 Y C 1.209 177.097 175.900 -0.019 0.000 1.097 575 Y CA -1.504 56.622 58.100 0.044 0.000 1.307 575 Y CB 1.281 39.797 38.460 0.092 0.000 1.102 575 Y HN 0.121 nan 8.280 nan 0.000 0.520 576 R N 1.724 121.993 120.500 -0.386 0.000 2.117 576 R HA -0.188 4.155 4.340 0.004 0.000 0.243 576 R C 0.795 176.757 176.300 -0.562 0.000 1.143 576 R CA 2.062 57.868 56.100 -0.490 0.000 0.968 576 R CB -0.522 29.392 30.300 -0.644 0.000 0.863 576 R HN 0.504 nan 8.270 nan 0.000 0.444 577 F N 1.107 120.749 119.950 -0.513 0.000 2.788 577 F HA 0.059 4.588 4.527 0.004 0.000 0.300 577 F C 1.933 177.697 175.800 -0.060 0.000 1.229 577 F CA 0.441 58.240 58.000 -0.334 0.000 1.446 577 F CB -0.005 38.712 39.000 -0.472 0.000 1.118 577 F HN 0.166 nan 8.300 nan 0.000 0.579 578 A N -1.594 121.271 122.820 0.076 0.000 2.229 578 A HA 0.107 4.429 4.320 0.004 0.000 0.211 578 A C 0.999 178.636 177.584 0.088 0.000 1.193 578 A CA -0.190 51.951 52.037 0.172 0.000 0.879 578 A CB 0.015 19.144 19.000 0.216 0.000 0.911 578 A HN 0.009 nan 8.150 nan 0.000 0.492 579 E N 2.344 122.559 120.200 0.025 0.000 2.652 579 E HA 0.048 4.401 4.350 0.004 0.000 0.255 579 E C -2.207 174.427 176.600 0.057 0.000 0.952 579 E CA -0.870 55.540 56.400 0.017 0.000 0.947 579 E CB 0.246 29.931 29.700 -0.025 0.000 0.912 579 E HN 0.385 nan 8.360 nan 0.000 0.489 580 P HA 0.014 nan 4.420 nan 0.000 0.269 580 P C -0.310 177.044 177.300 0.089 0.000 1.215 580 P CA -0.211 62.940 63.100 0.086 0.000 0.780 580 P CB 0.692 32.432 31.700 0.067 0.000 0.898 581 D N 0.518 120.993 120.400 0.126 0.000 2.455 581 D HA 0.190 4.832 4.640 0.004 0.000 0.241 581 D C 0.624 176.986 176.300 0.103 0.000 1.138 581 D CA 0.814 54.893 54.000 0.132 0.000 0.877 581 D CB 0.408 41.339 40.800 0.219 0.000 1.187 581 D HN 0.402 nan 8.370 nan 0.000 0.451 582 S N 0.897 116.643 115.700 0.077 0.000 2.579 582 S HA 0.184 4.656 4.470 0.004 0.000 0.272 582 S C 0.594 175.233 174.600 0.067 0.000 1.141 582 S CA -0.794 57.446 58.200 0.066 0.000 0.843 582 S CB 2.056 65.279 63.200 0.038 0.000 1.122 582 S HN 0.216 nan 8.310 nan 0.000 0.468 583 E N 0.947 121.197 120.200 0.083 0.000 2.455 583 E HA -0.110 4.243 4.350 0.004 0.000 0.202 583 E C 0.587 177.259 176.600 0.120 0.000 1.045 583 E CA 1.036 57.499 56.400 0.106 0.000 0.872 583 E CB -0.018 29.772 29.700 0.151 0.000 0.792 583 E HN 0.780 nan 8.360 nan 0.000 0.542 584 E N -0.320 119.938 120.200 0.096 0.000 2.498 584 E HA -0.011 4.342 4.350 0.004 0.000 0.203 584 E C 0.859 177.480 176.600 0.034 0.000 1.013 584 E CA 0.114 56.573 56.400 0.098 0.000 0.927 584 E CB 0.276 30.028 29.700 0.086 0.000 1.012 584 E HN 0.193 nan 8.360 nan 0.000 0.482 585 N N 0.332 119.038 118.700 0.009 0.000 2.067 585 N HA 0.127 4.869 4.740 0.004 0.000 0.227 585 N C -0.110 175.363 175.510 -0.061 0.000 1.348 585 N CA -0.186 52.852 53.050 -0.020 0.000 0.879 585 N CB 1.122 39.602 38.487 -0.012 0.000 1.109 585 N HN 0.041 nan 8.380 nan 0.000 0.501 586 I N 0.740 121.260 120.570 -0.084 0.000 2.702 586 I HA 0.409 4.581 4.170 0.004 0.000 0.287 586 I C -1.848 174.116 176.117 -0.254 0.000 1.342 586 I CA -0.704 60.470 61.300 -0.210 0.000 1.063 586 I CB 1.506 39.340 38.000 -0.277 0.000 1.331 586 I HN -0.099 nan 8.210 nan 0.000 0.427 587 I N 7.365 127.763 120.570 -0.286 0.000 2.378 587 I HA 0.410 4.582 4.170 0.004 0.000 0.291 587 I C -0.877 175.067 176.117 -0.289 0.000 0.992 587 I CA -0.506 60.682 61.300 -0.186 0.000 1.154 587 I CB 1.502 39.456 38.000 -0.076 0.000 1.315 587 I HN 0.332 nan 8.210 nan 0.000 0.448 588 F N 3.095 123.059 119.950 0.025 0.000 2.403 588 F HA 0.369 4.898 4.527 0.004 0.000 0.326 588 F C 0.691 176.504 175.800 0.022 0.000 1.081 588 F CA -0.634 57.381 58.000 0.025 0.000 1.041 588 F CB 0.909 39.919 39.000 0.016 0.000 1.234 588 F HN 0.366 nan 8.300 nan 0.000 0.503 589 E N 1.291 121.635 120.200 0.240 0.000 2.338 589 E HA 0.171 4.523 4.350 0.004 0.000 0.272 589 E C -0.488 176.178 176.600 0.110 0.000 1.029 589 E CA -0.229 56.250 56.400 0.131 0.000 0.872 589 E CB 0.497 30.259 29.700 0.103 0.000 1.015 589 E HN 0.354 nan 8.360 nan 0.000 0.417 598 I N -1.035 119.398 120.570 -0.228 0.000 2.892 598 I HA 0.535 4.708 4.170 0.004 0.000 0.287 598 I C -1.989 173.921 176.117 -0.346 0.000 1.205 598 I CA -1.530 59.494 61.300 -0.459 0.000 1.409 598 I CB 0.119 37.682 38.000 -0.728 0.000 1.367 598 I HN -0.046 nan 8.210 nan 0.000 0.597 599 P HA 0.363 nan 4.420 nan 0.000 0.272 599 P C -0.845 176.477 177.300 0.037 0.000 1.223 599 P CA -0.027 62.981 63.100 -0.155 0.000 0.784 599 P CB 0.600 32.167 31.700 -0.221 0.000 0.923 600 I N 2.625 123.302 120.570 0.179 0.000 2.389 600 I HA 0.262 4.434 4.170 0.004 0.000 0.288 600 I C -0.164 176.133 176.117 0.300 0.000 0.999 600 I CA -0.918 60.510 61.300 0.214 0.000 1.129 600 I CB 1.270 39.345 38.000 0.125 0.000 1.288 600 I HN 0.153 nan 8.210 nan 0.000 0.444 601 I N 6.783 127.518 120.570 0.276 0.000 2.452 601 I HA 0.053 4.226 4.170 0.004 0.000 0.287 601 I C 1.343 177.547 176.117 0.144 0.000 1.079 601 I CA 0.456 61.826 61.300 0.117 0.000 1.387 601 I CB 0.813 38.848 38.000 0.058 0.000 1.404 601 I HN 0.590 nan 8.210 nan 0.000 0.522 602 K N 5.395 125.816 120.400 0.036 0.000 2.128 602 K HA 0.427 4.749 4.320 0.004 0.000 0.202 602 K C 0.363 176.981 176.600 0.030 0.000 1.050 602 K CA 0.793 57.106 56.287 0.043 0.000 0.966 602 K CB 0.368 32.879 32.500 0.018 0.000 0.759 602 K HN 0.753 nan 8.250 nan 0.000 0.454 603 A N -0.715 122.079 122.820 -0.043 0.000 2.586 603 A HA 0.653 4.976 4.320 0.004 0.000 0.290 603 A C -0.839 176.663 177.584 -0.137 0.000 1.086 603 A CA -0.381 51.619 52.037 -0.061 0.000 0.665 603 A CB 1.326 20.292 19.000 -0.058 0.000 1.279 603 A HN 0.353 nan 8.150 nan 0.000 0.423 604 G N -0.905 107.814 108.800 -0.135 0.000 2.322 604 G HA2 0.655 4.617 3.960 0.004 0.000 0.295 604 G HA3 0.655 4.617 3.960 0.004 0.000 0.295 604 G C -0.405 174.424 174.900 -0.118 0.000 1.369 604 G CA 0.428 45.444 45.100 -0.139 0.000 0.821 604 G HN 1.790 nan 8.290 nan 0.000 0.536 605 T N -1.481 113.026 114.554 -0.079 0.000 2.849 605 T HA 0.454 4.806 4.350 0.004 0.000 0.284 605 T C 1.619 176.311 174.700 -0.013 0.000 1.004 605 T CA 0.165 62.239 62.100 -0.044 0.000 1.021 605 T CB 1.531 70.385 68.868 -0.024 0.000 1.013 605 T HN 0.792 nan 8.240 nan 0.000 0.527 606 V N 1.399 121.342 119.914 0.048 0.000 2.332 606 V HA -0.165 3.958 4.120 0.004 0.000 0.248 606 V C 2.612 178.802 176.094 0.160 0.000 1.055 606 V CA 1.469 63.871 62.300 0.169 0.000 1.038 606 V CB -0.880 31.087 31.823 0.240 0.000 0.651 606 V HN 0.781 nan 8.190 nan 0.000 0.450 607 I N -0.160 120.465 120.570 0.091 0.000 2.127 607 I HA -0.236 3.936 4.170 0.004 0.000 0.241 607 I C 2.484 178.681 176.117 0.133 0.000 1.075 607 I CA 1.842 63.194 61.300 0.088 0.000 1.334 607 I CB -1.048 36.893 38.000 -0.099 0.000 1.040 607 I HN 0.288 nan 8.210 nan 0.000 0.405 608 K N 0.362 120.792 120.400 0.050 0.000 2.097 608 K HA -0.134 4.188 4.320 0.004 0.000 0.206 608 K C 1.888 178.490 176.600 0.003 0.000 1.049 608 K CA 0.884 57.190 56.287 0.031 0.000 0.933 608 K CB -0.487 31.995 32.500 -0.029 0.000 0.717 608 K HN 0.049 nan 8.250 nan 0.000 0.442 609 L N 0.504 121.730 121.223 0.005 0.000 2.046 609 L HA -0.059 4.283 4.340 0.004 0.000 0.208 609 L C 1.892 178.746 176.870 -0.026 0.000 1.077 609 L CA 1.565 56.413 54.840 0.013 0.000 0.747 609 L CB -0.464 41.645 42.059 0.083 0.000 0.896 609 L HN 0.187 nan 8.230 nan 0.000 0.432 610 I N -1.168 119.399 120.570 -0.005 0.000 2.546 610 I HA -0.236 3.936 4.170 0.004 0.000 0.255 610 I C 2.427 178.404 176.117 -0.233 0.000 1.163 610 I CA 0.792 61.977 61.300 -0.191 0.000 1.457 610 I CB -0.196 37.770 38.000 -0.057 0.000 1.092 610 I HN 0.387 nan 8.210 nan 0.000 0.434 611 E N 1.116 121.287 120.200 -0.049 0.000 2.072 611 E HA -0.207 4.145 4.350 0.004 0.000 0.191 611 E C 2.306 178.874 176.600 -0.053 0.000 0.985 611 E CA 0.924 57.323 56.400 -0.001 0.000 0.801 611 E CB 0.188 30.012 29.700 0.206 0.000 0.750 611 E HN 0.285 nan 8.360 nan 0.000 0.452 612 R N 0.438 120.822 120.500 -0.193 0.000 2.115 612 R HA -0.098 4.244 4.340 0.004 0.000 0.226 612 R C 2.459 178.286 176.300 -0.788 0.000 1.100 612 R CA 0.437 56.281 56.100 -0.426 0.000 0.980 612 R CB -0.866 29.177 30.300 -0.428 0.000 0.875 612 R HN 0.259 nan 8.270 nan 0.000 0.445 613 L N 1.480 122.152 121.223 -0.917 0.000 2.261 613 L HA -0.108 4.234 4.340 0.004 0.000 0.216 613 L C 1.072 177.634 176.870 -0.512 0.000 1.114 613 L CA 2.011 56.302 54.840 -0.916 0.000 0.777 613 L CB -0.289 41.358 42.059 -0.687 0.000 0.910 613 L HN 0.239 nan 8.230 nan 0.000 0.440 614 T N -4.330 109.986 114.554 -0.396 0.000 3.487 614 T HA 0.182 4.534 4.350 0.004 0.000 0.287 614 T C 0.050 174.606 174.700 -0.240 0.000 1.004 614 T CA -0.575 61.349 62.100 -0.294 0.000 0.977 614 T CB -0.832 67.854 68.868 -0.304 0.000 1.180 614 T HN 0.075 nan 8.240 nan 0.000 0.490 615 Y N 3.744 123.800 120.300 -0.407 0.000 2.607 615 Y HA 0.111 4.664 4.550 0.004 0.000 0.348 615 Y C 1.940 177.614 175.900 -0.377 0.000 1.261 615 Y CA 0.087 57.944 58.100 -0.405 0.000 1.480 615 Y CB 0.712 38.761 38.460 -0.685 0.000 1.358 615 Y HN 0.486 nan 8.280 nan 0.000 0.630 616 H N 1.223 119.784 119.070 -0.848 0.000 2.648 616 H HA 0.073 4.631 4.556 0.004 0.000 0.265 616 H C 1.119 176.181 175.328 -0.444 0.000 0.961 616 H CA 0.493 56.156 56.048 -0.642 0.000 1.185 616 H CB 0.121 29.418 29.762 -0.775 0.000 1.449 616 H HN 0.554 nan 8.280 nan 0.000 0.523 617 M N 1.165 120.168 119.600 -0.996 0.000 2.155 617 M HA 0.078 4.561 4.480 0.004 0.000 0.258 617 M C 0.836 177.024 176.300 -0.186 0.000 1.092 617 M CA 0.966 55.952 55.300 -0.523 0.000 1.153 617 M CB -0.561 31.865 32.600 -0.290 0.000 1.316 617 M HN 0.273 nan 8.290 nan 0.000 0.431 618 Y N -1.486 118.820 120.300 0.009 0.000 2.833 618 Y HA 0.824 5.376 4.550 0.004 0.000 0.323 618 Y C -0.458 175.431 175.900 -0.018 0.000 1.220 618 Y CA -2.105 55.990 58.100 -0.009 0.000 1.174 618 Y CB 0.124 38.583 38.460 -0.001 0.000 1.404 618 Y HN 0.094 nan 8.280 nan 0.000 0.607 619 A N -0.003 123.013 122.820 0.327 0.000 2.515 619 A HA 0.650 4.972 4.320 0.004 0.000 0.296 619 A C -1.892 175.823 177.584 0.218 0.000 1.094 619 A CA -0.408 51.735 52.037 0.177 0.000 0.718 619 A CB 1.578 20.622 19.000 0.072 0.000 1.307 619 A HN 0.741 nan 8.150 nan 0.000 0.408 620 D N 0.909 121.400 120.400 0.152 0.000 2.634 620 D HA 0.336 4.978 4.640 0.004 0.000 0.236 620 D C -2.377 174.008 176.300 0.142 0.000 1.323 620 D CA -0.834 53.261 54.000 0.159 0.000 0.884 620 D CB 1.265 42.208 40.800 0.237 0.000 1.496 620 D HN 0.054 nan 8.370 nan 0.000 0.525 621 P HA -0.121 nan 4.420 nan 0.000 0.218 621 P C 1.213 178.557 177.300 0.073 0.000 1.146 621 P CA 0.857 63.982 63.100 0.043 0.000 0.813 621 P CB 0.346 32.072 31.700 0.042 0.000 0.778 622 N N -1.254 117.512 118.700 0.110 0.000 2.166 622 N HA -0.179 4.563 4.740 0.004 0.000 0.186 622 N C 1.434 177.051 175.510 0.179 0.000 1.019 622 N CA 1.032 54.150 53.050 0.114 0.000 0.856 622 N CB -0.824 37.719 38.487 0.093 0.000 0.993 622 N HN 0.047 nan 8.380 nan 0.000 0.426 623 F N 0.012 120.027 119.950 0.108 0.000 2.113 623 F HA -0.083 4.446 4.527 0.004 0.000 0.297 623 F C 2.060 177.971 175.800 0.185 0.000 1.103 623 F CA 0.791 58.905 58.000 0.189 0.000 1.248 623 F CB -0.184 38.907 39.000 0.152 0.000 0.999 623 F HN -0.120 nan 8.300 nan 0.000 0.475 624 V N 1.104 121.255 119.914 0.395 0.000 2.324 624 V HA -0.359 3.763 4.120 0.004 0.000 0.250 624 V C 2.517 178.720 176.094 0.181 0.000 1.060 624 V CA 2.442 64.873 62.300 0.217 0.000 1.042 624 V CB -0.800 31.010 31.823 -0.022 0.000 0.650 624 V HN 0.340 nan 8.190 nan 0.000 0.450 625 R N -0.407 120.174 120.500 0.135 0.000 2.066 625 R HA -0.147 4.195 4.340 0.004 0.000 0.232 625 R C 2.432 178.817 176.300 0.142 0.000 1.131 625 R CA 2.013 58.206 56.100 0.156 0.000 0.955 625 R CB -0.548 29.827 30.300 0.126 0.000 0.851 625 R HN 0.535 nan 8.270 nan 0.000 0.432 626 T N 0.919 115.534 114.554 0.103 0.000 2.635 626 T HA -0.215 4.137 4.350 0.004 0.000 0.267 626 T C 1.373 176.131 174.700 0.096 0.000 1.040 626 T CA 1.813 63.926 62.100 0.021 0.000 1.156 626 T CB -0.442 68.366 68.868 -0.101 0.000 0.863 626 T HN 0.248 nan 8.240 nan 0.000 0.430 627 F N 1.503 121.509 119.950 0.094 0.000 2.051 627 F HA 0.016 4.545 4.527 0.004 0.000 0.296 627 F C 2.029 177.872 175.800 0.072 0.000 1.122 627 F CA 1.172 59.283 58.000 0.186 0.000 1.201 627 F CB -0.483 38.654 39.000 0.227 0.000 0.978 627 F HN 0.025 nan 8.300 nan 0.000 0.472 628 L N -0.591 120.753 121.223 0.202 0.000 2.265 628 L HA -0.217 4.125 4.340 0.004 0.000 0.215 628 L C 2.059 178.761 176.870 -0.281 0.000 1.117 628 L CA 1.540 56.280 54.840 -0.168 0.000 0.782 628 L CB -0.959 40.860 42.059 -0.401 0.000 0.914 628 L HN 0.215 nan 8.230 nan 0.000 0.441 629 T N -2.072 112.442 114.554 -0.067 0.000 3.014 629 T HA -0.061 4.291 4.350 0.004 0.000 0.263 629 T C 1.707 176.385 174.700 -0.037 0.000 1.078 629 T CA 1.563 63.688 62.100 0.043 0.000 1.135 629 T CB 0.032 68.972 68.868 0.121 0.000 0.895 629 T HN 0.507 nan 8.240 nan 0.000 0.480 630 T N -0.713 113.775 114.554 -0.109 0.000 3.043 630 T HA 0.112 4.464 4.350 0.004 0.000 0.272 630 T C 1.693 176.163 174.700 -0.383 0.000 0.990 630 T CA -0.383 61.613 62.100 -0.172 0.000 0.897 630 T CB -0.594 68.227 68.868 -0.078 0.000 1.111 630 T HN 0.476 nan 8.240 nan 0.000 0.529 631 Y N 2.503 122.369 120.300 -0.723 0.000 2.384 631 Y HA 0.145 4.698 4.550 0.004 0.000 0.289 631 Y C 2.114 177.322 175.900 -1.153 0.000 1.152 631 Y CA 0.470 57.693 58.100 -1.463 0.000 1.258 631 Y CB -0.579 36.926 38.460 -1.591 0.000 0.979 631 Y HN 0.052 nan 8.280 nan 0.000 0.549 632 R N 0.843 120.463 120.500 -1.467 0.000 2.249 632 R HA -0.133 4.209 4.340 0.004 0.000 0.230 632 R C 2.349 178.343 176.300 -0.511 0.000 1.121 632 R CA 1.385 56.897 56.100 -0.980 0.000 0.997 632 R CB -0.452 29.408 30.300 -0.732 0.000 0.867 632 R HN 0.653 nan 8.270 nan 0.000 0.465 633 S N 0.225 115.674 115.700 -0.418 0.000 2.470 633 S HA -0.068 4.404 4.470 0.004 0.000 0.225 633 S C 1.377 175.956 174.600 -0.035 0.000 1.006 633 S CA 0.335 58.440 58.200 -0.159 0.000 0.934 633 S CB -0.124 63.049 63.200 -0.045 0.000 0.778 633 S HN 0.519 nan 8.310 nan 0.000 0.517 634 F N -0.395 119.503 119.950 -0.087 0.000 2.746 634 F HA 0.696 5.226 4.527 0.004 0.000 0.320 634 F C 0.098 175.905 175.800 0.011 0.000 1.097 634 F CA -1.565 56.418 58.000 -0.029 0.000 1.195 634 F CB -0.185 38.808 39.000 -0.012 0.000 1.056 634 F HN 0.331 nan 8.300 nan 0.000 0.562 635 C N 1.797 120.971 119.300 -0.209 0.000 3.146 635 C HA 0.411 4.873 4.460 0.004 0.000 0.405 635 C C -0.770 174.201 174.990 -0.032 0.000 1.012 635 C CA -1.035 57.966 59.018 -0.029 0.000 1.217 635 C CB 0.899 28.673 27.740 0.057 0.000 1.599 635 C HN 0.440 nan 8.230 nan 0.000 0.567 636 K N 4.643 125.068 120.400 0.041 0.000 2.168 636 K HA 0.288 4.610 4.320 0.004 0.000 0.258 636 K C -1.769 174.945 176.600 0.191 0.000 1.010 636 K CA -1.015 55.305 56.287 0.056 0.000 0.929 636 K CB 0.938 33.465 32.500 0.045 0.000 0.998 636 K HN 0.418 nan 8.250 nan 0.000 0.479 637 P HA -0.189 nan 4.420 nan 0.000 0.214 637 P C 1.004 178.452 177.300 0.247 0.000 1.163 637 P CA 1.230 64.533 63.100 0.338 0.000 0.883 637 P CB 0.242 32.064 31.700 0.203 0.000 0.788 638 Q N -0.482 119.393 119.800 0.125 0.000 2.197 638 Q HA -0.241 4.101 4.340 0.004 0.000 0.207 638 Q C 2.101 178.158 176.000 0.094 0.000 0.984 638 Q CA 1.559 57.411 55.803 0.082 0.000 0.869 638 Q CB -0.668 28.113 28.738 0.071 0.000 0.906 638 Q HN 0.310 nan 8.270 nan 0.000 0.426 639 E N 0.757 121.020 120.200 0.105 0.000 2.112 639 E HA -0.044 4.308 4.350 0.004 0.000 0.190 639 E C 1.849 178.503 176.600 0.091 0.000 0.979 639 E CA 0.294 56.749 56.400 0.092 0.000 0.814 639 E CB -0.332 29.422 29.700 0.092 0.000 0.762 639 E HN 0.252 nan 8.360 nan 0.000 0.460 640 L N 0.144 121.420 121.223 0.089 0.000 2.046 640 L HA -0.148 4.195 4.340 0.004 0.000 0.208 640 L C 2.196 179.085 176.870 0.032 0.000 1.077 640 L CA 1.364 56.190 54.840 -0.023 0.000 0.747 640 L CB -0.346 41.493 42.059 -0.367 0.000 0.896 640 L HN 0.315 nan 8.230 nan 0.000 0.432 641 L N -0.494 120.845 121.223 0.194 0.000 2.056 641 L HA -0.169 4.173 4.340 0.004 0.000 0.207 641 L C 2.581 179.445 176.870 -0.010 0.000 1.078 641 L CA 1.872 56.813 54.840 0.169 0.000 0.749 641 L CB -0.572 41.575 42.059 0.146 0.000 0.901 641 L HN 0.134 nan 8.230 nan 0.000 0.433 642 S N -0.397 115.312 115.700 0.014 0.000 2.359 642 S HA -0.181 4.292 4.470 0.004 0.000 0.224 642 S C 1.945 176.560 174.600 0.025 0.000 1.035 642 S CA 1.752 59.954 58.200 0.004 0.000 1.018 642 S CB -0.494 62.729 63.200 0.038 0.000 0.876 642 S HN 0.443 nan 8.310 nan 0.000 0.448 643 L N 1.377 122.638 121.223 0.062 0.000 2.046 643 L HA -0.109 4.234 4.340 0.004 0.000 0.208 643 L C 2.386 179.291 176.870 0.058 0.000 1.077 643 L CA 1.359 56.285 54.840 0.142 0.000 0.747 643 L CB -0.689 41.468 42.059 0.164 0.000 0.896 643 L HN 0.444 nan 8.230 nan 0.000 0.432 644 I N -2.807 117.719 120.570 -0.074 0.000 2.676 644 I HA -0.182 3.990 4.170 0.004 0.000 0.259 644 I C 2.271 178.285 176.117 -0.171 0.000 1.194 644 I CA 1.208 62.407 61.300 -0.168 0.000 1.473 644 I CB -0.280 37.623 38.000 -0.161 0.000 1.096 644 I HN 0.107 nan 8.210 nan 0.000 0.443 645 I N 1.748 122.169 120.570 -0.249 0.000 2.252 645 I HA -0.194 3.978 4.170 0.004 0.000 0.245 645 I C 2.534 178.681 176.117 0.051 0.000 1.102 645 I CA 1.465 62.566 61.300 -0.331 0.000 1.385 645 I CB -0.393 37.351 38.000 -0.427 0.000 1.064 645 I HN 0.278 nan 8.210 nan 0.000 0.414 646 E N 0.546 120.816 120.200 0.115 0.000 2.110 646 E HA -0.269 4.083 4.350 0.004 0.000 0.193 646 E C 2.194 179.015 176.600 0.367 0.000 0.988 646 E CA 0.977 57.542 56.400 0.275 0.000 0.804 646 E CB -0.129 29.764 29.700 0.321 0.000 0.745 646 E HN 0.261 nan 8.360 nan 0.000 0.458 647 R N 0.617 121.173 120.500 0.093 0.000 2.081 647 R HA -0.161 4.181 4.340 0.004 0.000 0.235 647 R C 1.948 178.323 176.300 0.125 0.000 1.131 647 R CA 1.240 57.180 56.100 -0.267 0.000 0.960 647 R CB -0.530 29.311 30.300 -0.766 0.000 0.856 647 R HN 0.181 nan 8.270 nan 0.000 0.436 648 F N 1.022 120.983 119.950 0.018 0.000 2.234 648 F HA 0.019 4.548 4.527 0.004 0.000 0.299 648 F C 0.603 176.488 175.800 0.142 0.000 1.087 648 F CA 0.877 58.931 58.000 0.090 0.000 1.340 648 F CB 0.068 39.194 39.000 0.210 0.000 1.031 648 F HN -0.003 nan 8.300 nan 0.000 0.500 649 E N 1.670 122.086 120.200 0.360 0.000 2.222 649 E HA 0.150 4.503 4.350 0.004 0.000 0.312 649 E C -0.493 176.193 176.600 0.143 0.000 1.263 649 E CA 0.053 56.610 56.400 0.263 0.000 1.356 649 E CB -0.738 29.145 29.700 0.304 0.000 1.180 649 E HN 0.307 nan 8.360 nan 0.000 0.494 650 I N 3.452 123.984 120.570 -0.064 0.000 2.441 650 I HA 0.189 4.361 4.170 0.004 0.000 0.287 650 I C -1.654 174.375 176.117 -0.146 0.000 1.049 650 I CA -1.935 59.198 61.300 -0.277 0.000 1.381 650 I CB 0.677 38.509 38.000 -0.281 0.000 1.409 650 I HN 0.166 nan 8.210 nan 0.000 0.523 651 P HA 0.204 nan 4.420 nan 0.000 0.280 651 P C -0.769 176.495 177.300 -0.060 0.000 1.244 651 P CA -0.434 62.620 63.100 -0.076 0.000 0.784 651 P CB 0.871 32.528 31.700 -0.071 0.000 0.913 652 E N 3.803 123.984 120.200 -0.032 0.000 2.366 652 E HA 0.200 4.552 4.350 0.004 0.000 0.266 652 E C -1.628 174.886 176.600 -0.142 0.000 1.051 652 E CA -1.428 54.956 56.400 -0.026 0.000 0.884 652 E CB 0.204 29.906 29.700 0.003 0.000 1.006 652 E HN 0.477 nan 8.360 nan 0.000 0.417 653 P HA 0.059 nan 4.420 nan 0.000 0.272 653 P C -0.441 176.758 177.300 -0.169 0.000 1.240 653 P CA -0.167 62.748 63.100 -0.309 0.000 0.791 653 P CB 0.777 32.194 31.700 -0.471 0.000 0.978 654 E N 0.958 121.067 120.200 -0.151 0.000 2.343 654 E HA 0.296 4.648 4.350 0.004 0.000 0.269 654 E C -1.915 174.633 176.600 -0.085 0.000 1.047 654 E CA -1.759 54.582 56.400 -0.098 0.000 0.874 654 E CB -0.534 29.114 29.700 -0.086 0.000 1.033 654 E HN 0.343 nan 8.360 nan 0.000 0.409 655 P HA -0.056 nan 4.420 nan 0.000 0.265 655 P C -0.002 177.268 177.300 -0.050 0.000 1.187 655 P CA 0.318 63.389 63.100 -0.047 0.000 0.766 655 P CB 0.297 31.977 31.700 -0.034 0.000 0.820 656 T N -1.046 113.481 114.554 -0.045 0.000 2.732 656 T HA 0.098 4.450 4.350 0.004 0.000 0.287 656 T C 1.231 175.912 174.700 -0.033 0.000 0.993 656 T CA -0.262 61.813 62.100 -0.043 0.000 0.966 656 T CB 0.584 69.429 68.868 -0.038 0.000 1.047 656 T HN 0.294 nan 8.240 nan 0.000 0.527 657 E N 0.509 120.691 120.200 -0.029 0.000 2.077 657 E HA -0.032 4.321 4.350 0.004 0.000 0.193 657 E C 2.303 178.891 176.600 -0.019 0.000 0.989 657 E CA 1.717 58.103 56.400 -0.024 0.000 0.800 657 E CB -1.023 28.664 29.700 -0.021 0.000 0.746 657 E HN 0.761 nan 8.360 nan 0.000 0.452 658 A N 1.027 123.836 122.820 -0.018 0.000 1.883 658 A HA -0.242 4.080 4.320 0.004 0.000 0.217 658 A C 1.936 179.512 177.584 -0.014 0.000 1.186 658 A CA 2.046 54.074 52.037 -0.014 0.000 0.624 658 A CB -0.826 18.167 19.000 -0.013 0.000 0.822 658 A HN 0.312 nan 8.150 nan 0.000 0.444 659 D N -0.476 119.914 120.400 -0.017 0.000 2.097 659 D HA -0.149 4.493 4.640 0.004 0.000 0.195 659 D C 2.176 178.466 176.300 -0.015 0.000 0.989 659 D CA 1.370 55.360 54.000 -0.016 0.000 0.827 659 D CB -0.428 40.361 40.800 -0.019 0.000 0.966 659 D HN 0.469 nan 8.370 nan 0.000 0.456 660 R N 0.324 120.813 120.500 -0.018 0.000 2.103 660 R HA -0.124 4.219 4.340 0.004 0.000 0.242 660 R C 2.376 178.668 176.300 -0.013 0.000 1.142 660 R CA 0.755 56.845 56.100 -0.017 0.000 0.960 660 R CB -0.207 30.081 30.300 -0.019 0.000 0.858 660 R HN 0.218 nan 8.270 nan 0.000 0.439 661 I N 0.838 121.400 120.570 -0.013 0.000 2.163 661 I HA -0.239 3.934 4.170 0.004 0.000 0.243 661 I C 2.572 178.684 176.117 -0.009 0.000 1.085 661 I CA 1.519 62.813 61.300 -0.011 0.000 1.347 661 I CB -1.525 36.469 38.000 -0.010 0.000 1.044 661 I HN 0.164 nan 8.210 nan 0.000 0.408 662 A N 1.221 124.035 122.820 -0.009 0.000 1.858 662 A HA -0.170 4.153 4.320 0.004 0.000 0.216 662 A C 2.389 179.969 177.584 -0.008 0.000 1.190 662 A CA 1.512 53.544 52.037 -0.008 0.000 0.617 662 A CB -0.878 18.117 19.000 -0.007 0.000 0.827 662 A HN 0.380 nan 8.150 nan 0.000 0.443 663 I N -0.381 120.184 120.570 -0.009 0.000 2.208 663 I HA -0.281 3.892 4.170 0.004 0.000 0.245 663 I C 2.253 178.365 176.117 -0.008 0.000 1.097 663 I CA 1.737 63.032 61.300 -0.008 0.000 1.363 663 I CB -0.490 37.504 38.000 -0.010 0.000 1.051 663 I HN 0.410 nan 8.210 nan 0.000 0.413 664 E N 0.457 120.651 120.200 -0.008 0.000 2.472 664 E HA -0.123 4.230 4.350 0.004 0.000 0.200 664 E C 1.028 177.624 176.600 -0.007 0.000 1.046 664 E CA 0.350 56.745 56.400 -0.008 0.000 0.871 664 E CB 0.017 29.712 29.700 -0.009 0.000 0.806 664 E HN 0.398 nan 8.360 nan 0.000 0.533 665 N N -0.890 117.806 118.700 -0.006 0.000 2.187 665 N HA 0.059 4.801 4.740 0.004 0.000 0.212 665 N C 0.681 176.188 175.510 -0.005 0.000 1.152 665 N CA 0.701 53.748 53.050 -0.005 0.000 0.872 665 N CB 1.557 40.041 38.487 -0.005 0.000 1.025 665 N HN 0.218 nan 8.380 nan 0.000 0.514 666 G N 0.655 109.452 108.800 -0.005 0.000 2.179 666 G HA2 -0.223 3.740 3.960 0.004 0.000 0.260 666 G HA3 -0.223 3.740 3.960 0.004 0.000 0.260 666 G C -0.291 174.606 174.900 -0.004 0.000 0.977 666 G CA 0.184 45.282 45.100 -0.004 0.000 0.641 666 G HN 0.296 nan 8.290 nan 0.000 0.533 667 D N 0.013 120.410 120.400 -0.004 0.000 2.332 667 D HA 0.524 5.167 4.640 0.004 0.000 0.252 667 D C 0.471 176.768 176.300 -0.004 0.000 1.050 667 D CA -0.343 53.655 54.000 -0.004 0.000 0.970 667 D CB 0.777 41.575 40.800 -0.004 0.000 1.141 667 D HN 0.130 nan 8.370 nan 0.000 0.485 668 Q N 0.788 120.586 119.800 -0.004 0.000 2.304 668 Q HA 0.301 4.643 4.340 0.004 0.000 0.260 668 Q C -2.336 173.662 176.000 -0.004 0.000 0.965 668 Q CA -1.150 54.651 55.803 -0.004 0.000 0.898 668 Q CB 0.770 29.506 28.738 -0.003 0.000 1.196 668 Q HN 0.064 nan 8.270 nan 0.000 0.402 669 P HA 0.067 nan 4.420 nan 0.000 0.275 669 P C 0.042 177.339 177.300 -0.004 0.000 1.228 669 P CA -0.119 62.978 63.100 -0.006 0.000 0.786 669 P CB 0.734 32.429 31.700 -0.008 0.000 0.927 670 L N 0.652 121.872 121.223 -0.004 0.000 2.179 670 L HA -0.093 4.249 4.340 0.004 0.000 0.208 670 L C 0.584 177.454 176.870 -0.001 0.000 1.096 670 L CA 0.717 55.556 54.840 -0.002 0.000 0.779 670 L CB -0.578 41.480 42.059 -0.002 0.000 0.922 670 L HN 0.445 nan 8.230 nan 0.000 0.443 671 S N -0.140 115.558 115.700 -0.003 0.000 3.631 671 S HA -0.250 4.223 4.470 0.004 0.000 0.366 671 S C 1.319 175.921 174.600 0.004 0.000 0.993 671 S CA 0.420 58.619 58.200 -0.002 0.000 1.167 671 S CB -1.245 61.955 63.200 -0.000 0.000 0.909 671 S HN 0.583 nan 8.310 nan 0.000 0.478 672 A N 0.500 123.322 122.820 0.003 0.000 1.972 672 A HA -0.132 4.190 4.320 0.004 0.000 0.219 672 A C 2.112 179.706 177.584 0.017 0.000 1.169 672 A CA 1.413 53.455 52.037 0.009 0.000 0.635 672 A CB -0.163 18.840 19.000 0.006 0.000 0.810 672 A HN 0.542 nan 8.150 nan 0.000 0.446 673 E N -0.576 119.630 120.200 0.010 0.000 2.076 673 E HA -0.097 4.255 4.350 0.004 0.000 0.190 673 E C 1.996 178.624 176.600 0.047 0.000 0.979 673 E CA 0.933 57.343 56.400 0.016 0.000 0.807 673 E CB -0.597 29.092 29.700 -0.019 0.000 0.761 673 E HN 0.518 nan 8.360 nan 0.000 0.454 674 L N 1.760 123.000 121.223 0.029 0.000 2.042 674 L HA -0.171 4.171 4.340 0.004 0.000 0.210 674 L C 1.924 178.852 176.870 0.097 0.000 1.076 674 L CA 1.878 56.754 54.840 0.060 0.000 0.749 674 L CB -0.215 41.857 42.059 0.022 0.000 0.893 674 L HN -0.055 nan 8.230 nan 0.000 0.432 675 K N -0.918 119.516 120.400 0.056 0.000 2.097 675 K HA -0.167 4.156 4.320 0.004 0.000 0.205 675 K C 2.296 178.924 176.600 0.047 0.000 1.050 675 K CA 1.375 57.688 56.287 0.042 0.000 0.938 675 K CB -0.205 32.309 32.500 0.024 0.000 0.718 675 K HN 0.298 nan 8.250 nan 0.000 0.442 676 R N 0.239 120.776 120.500 0.063 0.000 2.092 676 R HA -0.113 4.229 4.340 0.004 0.000 0.231 676 R C 2.080 178.430 176.300 0.083 0.000 1.119 676 R CA 1.083 57.219 56.100 0.060 0.000 0.970 676 R CB -0.208 30.129 30.300 0.062 0.000 0.864 676 R HN 0.117 nan 8.270 nan 0.000 0.440 677 F N 1.330 121.263 119.950 -0.028 0.000 2.234 677 F HA -0.055 4.474 4.527 0.004 0.000 0.299 677 F C 2.040 177.831 175.800 -0.014 0.000 1.087 677 F CA 1.407 59.386 58.000 -0.036 0.000 1.340 677 F CB 0.037 38.989 39.000 -0.081 0.000 1.031 677 F HN -0.075 nan 8.300 nan 0.000 0.500 678 R N -0.034 120.444 120.500 -0.037 0.000 2.090 678 R HA -0.107 4.235 4.340 0.004 0.000 0.228 678 R C 2.309 178.523 176.300 -0.143 0.000 1.110 678 R CA 1.322 57.351 56.100 -0.117 0.000 0.973 678 R CB -0.323 29.962 30.300 -0.024 0.000 0.869 678 R HN 0.204 nan 8.270 nan 0.000 0.440 679 K N 0.762 121.113 120.400 -0.083 0.000 2.167 679 K HA -0.111 4.211 4.320 0.004 0.000 0.203 679 K C 1.050 177.597 176.600 -0.088 0.000 1.052 679 K CA 1.258 57.504 56.287 -0.069 0.000 0.956 679 K CB 0.325 32.808 32.500 -0.028 0.000 0.735 679 K HN 0.125 nan 8.250 nan 0.000 0.451 680 E N -1.934 118.208 120.200 -0.097 0.000 2.489 680 E HA -0.006 4.346 4.350 0.004 0.000 0.204 680 E C 0.398 176.946 176.600 -0.087 0.000 1.006 680 E CA -0.016 56.346 56.400 -0.063 0.000 0.936 680 E CB 0.515 30.221 29.700 0.010 0.000 1.002 680 E HN 0.251 nan 8.360 nan 0.000 0.488 681 Y N -0.645 119.381 120.300 -0.456 0.000 2.921 681 Y HA 0.214 4.766 4.550 0.004 0.000 0.246 681 Y C 1.576 177.119 175.900 -0.595 0.000 1.030 681 Y CA 0.088 57.803 58.100 -0.643 0.000 1.338 681 Y CB 0.295 38.084 38.460 -1.118 0.000 1.493 681 Y HN -0.143 nan 8.280 nan 0.000 0.452 682 I N 0.590 120.841 120.570 -0.533 0.000 2.142 682 I HA -0.288 3.884 4.170 0.004 0.000 0.240 682 I C 2.245 178.151 176.117 -0.351 0.000 1.078 682 I CA 1.858 62.908 61.300 -0.416 0.000 1.343 682 I CB -0.426 37.379 38.000 -0.325 0.000 1.046 682 I HN 0.308 nan 8.210 nan 0.000 0.405 683 Q N 1.620 121.258 119.800 -0.270 0.000 2.002 683 Q HA -0.166 4.177 4.340 0.004 0.000 0.204 683 Q C -0.612 175.254 176.000 -0.223 0.000 0.988 683 Q CA 2.427 58.112 55.803 -0.198 0.000 0.843 683 Q CB -1.332 27.327 28.738 -0.132 0.000 0.908 683 Q HN 0.290 nan 8.270 nan 0.000 0.420 684 P HA -0.141 nan 4.420 nan 0.000 0.216 684 P C 1.210 178.336 177.300 -0.290 0.000 1.150 684 P CA 1.258 64.214 63.100 -0.241 0.000 0.837 684 P CB -0.001 31.566 31.700 -0.221 0.000 0.786 685 V N 0.677 120.356 119.914 -0.392 0.000 2.323 685 V HA -0.212 3.910 4.120 0.004 0.000 0.244 685 V C 2.908 178.845 176.094 -0.263 0.000 1.041 685 V CA 1.792 63.855 62.300 -0.395 0.000 1.025 685 V CB -1.312 30.174 31.823 -0.561 0.000 0.656 685 V HN 0.113 nan 8.190 nan 0.000 0.451 686 Q N -0.609 119.017 119.800 -0.290 0.000 2.124 686 Q HA -0.170 4.172 4.340 0.004 0.000 0.202 686 Q C 2.330 178.340 176.000 0.017 0.000 0.977 686 Q CA 1.465 57.148 55.803 -0.200 0.000 0.850 686 Q CB -0.186 28.246 28.738 -0.511 0.000 0.901 686 Q HN 0.531 nan 8.270 nan 0.000 0.429 687 L N 0.160 121.300 121.223 -0.139 0.000 2.056 687 L HA -0.168 4.175 4.340 0.004 0.000 0.207 687 L C 2.484 179.232 176.870 -0.202 0.000 1.078 687 L CA 1.107 55.806 54.840 -0.235 0.000 0.749 687 L CB -0.144 41.721 42.059 -0.324 0.000 0.901 687 L HN 0.167 nan 8.230 nan 0.000 0.433 688 R N -1.093 119.304 120.500 -0.172 0.000 2.148 688 R HA -0.104 4.238 4.340 0.004 0.000 0.227 688 R C 2.111 178.359 176.300 -0.086 0.000 1.103 688 R CA 0.867 56.881 56.100 -0.142 0.000 0.983 688 R CB -0.233 29.964 30.300 -0.172 0.000 0.874 688 R HN 0.227 nan 8.270 nan 0.000 0.451 689 V N 1.478 121.372 119.914 -0.033 0.000 2.358 689 V HA -0.215 3.908 4.120 0.004 0.000 0.246 689 V C 2.281 178.429 176.094 0.090 0.000 1.047 689 V CA 1.551 63.875 62.300 0.040 0.000 1.035 689 V CB -0.318 31.625 31.823 0.199 0.000 0.658 689 V HN 0.287 nan 8.190 nan 0.000 0.452 690 L N 0.233 121.514 121.223 0.097 0.000 2.083 690 L HA -0.202 4.140 4.340 0.004 0.000 0.209 690 L C 2.406 179.300 176.870 0.040 0.000 1.083 690 L CA 1.948 56.826 54.840 0.063 0.000 0.752 690 L CB -0.727 41.331 42.059 -0.001 0.000 0.899 690 L HN 0.443 nan 8.230 nan 0.000 0.433 691 N N -0.028 118.667 118.700 -0.008 0.000 2.084 691 N HA -0.162 4.581 4.740 0.004 0.000 0.190 691 N C 1.710 177.340 175.510 0.199 0.000 1.030 691 N CA 1.218 54.304 53.050 0.061 0.000 0.849 691 N CB -0.096 38.401 38.487 0.015 0.000 1.012 691 N HN 0.002 nan 8.380 nan 0.000 0.423 692 V N -0.214 119.773 119.914 0.122 0.000 2.490 692 V HA -0.272 3.851 4.120 0.004 0.000 0.250 692 V C 2.386 178.640 176.094 0.267 0.000 1.061 692 V CA 1.413 63.794 62.300 0.134 0.000 1.064 692 V CB -0.599 31.210 31.823 -0.024 0.000 0.670 692 V HN 0.544 nan 8.190 nan 0.000 0.461 693 C N -0.805 118.646 119.300 0.251 0.000 2.446 693 C HA -0.096 4.367 4.460 0.004 0.000 0.277 693 C C 2.887 178.022 174.990 0.242 0.000 1.275 693 C CA 1.112 60.319 59.018 0.315 0.000 1.727 693 C CB -1.023 26.854 27.740 0.228 0.000 2.010 693 C HN 0.553 nan 8.230 nan 0.000 0.486 694 R N -0.085 120.504 120.500 0.147 0.000 2.073 694 R HA -0.125 4.218 4.340 0.004 0.000 0.234 694 R C 2.310 178.613 176.300 0.004 0.000 1.134 694 R CA 1.486 57.603 56.100 0.029 0.000 0.952 694 R CB -0.420 29.857 30.300 -0.039 0.000 0.850 694 R HN 0.643 nan 8.270 nan 0.000 0.433 695 H N -1.330 117.813 119.070 0.123 0.000 2.357 695 H HA -0.192 4.366 4.556 0.004 0.000 0.301 695 H C 1.772 177.326 175.328 0.376 0.000 1.082 695 H CA 1.563 57.698 56.048 0.145 0.000 1.342 695 H CB -0.355 29.522 29.762 0.193 0.000 1.389 695 H HN 0.396 nan 8.280 nan 0.000 0.511 696 W N 2.030 123.533 121.300 0.339 0.000 2.317 696 W HA -0.207 4.455 4.660 0.004 0.000 0.318 696 W C 2.304 179.109 176.519 0.475 0.000 1.227 696 W CA 1.236 58.822 57.345 0.401 0.000 1.269 696 W CB -0.844 28.804 29.460 0.313 0.000 1.155 696 W HN -0.115 nan 8.180 nan 0.000 0.484 697 V N 0.384 120.567 119.914 0.449 0.000 2.427 697 V HA -0.260 3.863 4.120 0.004 0.000 0.248 697 V C 2.284 178.508 176.094 0.217 0.000 1.051 697 V CA 2.361 64.773 62.300 0.187 0.000 1.048 697 V CB -0.751 30.991 31.823 -0.135 0.000 0.666 697 V HN 0.188 nan 8.190 nan 0.000 0.456 698 E N -0.739 119.508 120.200 0.079 0.000 2.107 698 E HA -0.158 4.194 4.350 0.004 0.000 0.191 698 E C 1.457 178.081 176.600 0.041 0.000 0.982 698 E CA 1.200 57.541 56.400 -0.100 0.000 0.809 698 E CB 0.050 29.510 29.700 -0.400 0.000 0.756 698 E HN 0.821 nan 8.360 nan 0.000 0.459 699 H N -2.593 116.586 119.070 0.181 0.000 2.916 699 H HA 0.228 4.786 4.556 0.004 0.000 0.262 699 H C -0.338 174.824 175.328 -0.277 0.000 1.178 699 H CA -0.251 55.780 56.048 -0.029 0.000 1.090 699 H CB 0.728 30.428 29.762 -0.103 0.000 1.657 699 H HN 0.115 nan 8.280 nan 0.000 0.601 700 H N -0.589 118.797 119.070 0.527 0.000 3.038 700 H HA -0.026 4.533 4.556 0.004 0.000 0.238 700 H C 0.443 175.988 175.328 0.362 0.000 1.246 700 H CA -0.205 56.105 56.048 0.436 0.000 0.966 700 H CB -0.104 29.909 29.762 0.419 0.000 2.394 700 H HN 0.273 nan 8.280 nan 0.000 0.633 701 F N 2.131 122.309 119.950 0.381 0.000 2.449 701 F HA -0.253 4.277 4.527 0.004 0.000 0.299 701 F C 2.089 178.082 175.800 0.321 0.000 1.092 701 F CA 1.104 59.335 58.000 0.385 0.000 1.446 701 F CB -0.176 38.965 39.000 0.236 0.000 1.084 701 F HN 0.286 nan 8.300 nan 0.000 0.567 702 Y N -1.477 118.947 120.300 0.206 0.000 2.333 702 Y HA -0.136 4.417 4.550 0.004 0.000 0.290 702 Y C 1.971 177.826 175.900 -0.075 0.000 1.144 702 Y CA 1.146 59.277 58.100 0.052 0.000 1.228 702 Y CB -1.360 37.158 38.460 0.097 0.000 0.985 702 Y HN -0.047 nan 8.280 nan 0.000 0.542 703 D N 0.661 120.738 120.400 -0.539 0.000 2.182 703 D HA -0.157 4.485 4.640 0.004 0.000 0.201 703 D C 1.555 177.477 176.300 -0.630 0.000 0.986 703 D CA 1.428 55.097 54.000 -0.551 0.000 0.847 703 D CB -0.355 40.100 40.800 -0.575 0.000 0.942 703 D HN 0.476 nan 8.370 nan 0.000 0.467 704 F N 1.082 120.756 119.950 -0.460 0.000 2.416 704 F HA 0.088 4.617 4.527 0.004 0.000 0.296 704 F C 2.355 177.867 175.800 -0.480 0.000 1.099 704 F CA 0.419 58.076 58.000 -0.573 0.000 1.427 704 F CB -0.204 38.245 39.000 -0.918 0.000 1.079 704 F HN -0.097 nan 8.300 nan 0.000 0.536 705 E N 0.182 120.195 120.200 -0.311 0.000 2.208 705 E HA -0.090 4.262 4.350 0.004 0.000 0.193 705 E C 1.947 178.526 176.600 -0.036 0.000 0.988 705 E CA 0.614 56.939 56.400 -0.125 0.000 0.828 705 E CB -0.086 29.608 29.700 -0.010 0.000 0.763 705 E HN 0.424 nan 8.360 nan 0.000 0.478 706 R N 0.316 120.793 120.500 -0.037 0.000 2.276 706 R HA 0.049 4.392 4.340 0.004 0.000 0.196 706 R C 0.235 176.524 176.300 -0.018 0.000 0.961 706 R CA 0.389 56.487 56.100 -0.004 0.000 1.024 706 R CB 0.352 30.669 30.300 0.029 0.000 0.940 706 R HN -0.061 nan 8.270 nan 0.000 0.480 707 D N -0.197 120.172 120.400 -0.052 0.000 2.358 707 D HA 0.250 4.892 4.640 0.004 0.000 0.253 707 D C 0.287 176.590 176.300 0.005 0.000 1.288 707 D CA -0.248 53.739 54.000 -0.021 0.000 0.950 707 D CB 1.465 42.232 40.800 -0.056 0.000 1.197 707 D HN 0.014 nan 8.370 nan 0.000 0.550 708 A N 3.402 126.251 122.820 0.048 0.000 1.902 708 A HA -0.233 4.089 4.320 0.004 0.000 0.217 708 A C 1.768 179.428 177.584 0.126 0.000 1.181 708 A CA 1.084 53.165 52.037 0.073 0.000 0.623 708 A CB -0.671 18.374 19.000 0.075 0.000 0.818 708 A HN 0.659 nan 8.150 nan 0.000 0.443 709 Y N -0.016 120.286 120.300 0.004 0.000 2.224 709 Y HA -0.139 4.413 4.550 0.004 0.000 0.289 709 Y C 1.950 177.860 175.900 0.017 0.000 1.146 709 Y CA 1.364 59.471 58.100 0.011 0.000 1.182 709 Y CB -0.516 37.949 38.460 0.008 0.000 0.983 709 Y HN 0.240 nan 8.280 nan 0.000 0.524 710 L N -0.449 120.729 121.223 -0.076 0.000 2.042 710 L HA -0.185 4.157 4.340 0.004 0.000 0.210 710 L C 2.253 179.098 176.870 -0.041 0.000 1.076 710 L CA 1.628 56.373 54.840 -0.160 0.000 0.749 710 L CB -0.972 40.978 42.059 -0.182 0.000 0.893 710 L HN 0.350 nan 8.230 nan 0.000 0.432 711 L N -0.912 120.354 121.223 0.072 0.000 2.093 711 L HA -0.186 4.156 4.340 0.004 0.000 0.208 711 L C 2.451 179.296 176.870 -0.042 0.000 1.085 711 L CA 1.629 56.501 54.840 0.054 0.000 0.755 711 L CB -0.611 41.473 42.059 0.042 0.000 0.904 711 L HN 0.403 nan 8.230 nan 0.000 0.435 712 Q N -0.850 118.934 119.800 -0.027 0.000 2.084 712 Q HA -0.212 4.131 4.340 0.004 0.000 0.202 712 Q C 2.310 178.267 176.000 -0.071 0.000 0.978 712 Q CA 1.767 57.562 55.803 -0.013 0.000 0.844 712 Q CB -0.199 28.590 28.738 0.086 0.000 0.898 712 Q HN 0.502 nan 8.270 nan 0.000 0.426 713 R N 0.001 120.379 120.500 -0.203 0.000 2.081 713 R HA -0.153 4.189 4.340 0.004 0.000 0.235 713 R C 2.267 178.536 176.300 -0.052 0.000 1.131 713 R CA 1.570 57.558 56.100 -0.186 0.000 0.960 713 R CB -0.330 29.760 30.300 -0.351 0.000 0.856 713 R HN 0.226 nan 8.270 nan 0.000 0.436 714 M N 1.562 121.124 119.600 -0.064 0.000 2.080 714 M HA -0.171 4.312 4.480 0.004 0.000 0.260 714 M C 1.533 177.833 176.300 -0.000 0.000 1.068 714 M CA 1.809 57.096 55.300 -0.023 0.000 1.109 714 M CB -0.120 32.375 32.600 -0.175 0.000 1.342 714 M HN 0.055 nan 8.290 nan 0.000 0.405 715 E N -0.536 119.632 120.200 -0.054 0.000 2.077 715 E HA -0.199 4.153 4.350 0.004 0.000 0.193 715 E C 1.995 178.576 176.600 -0.031 0.000 0.989 715 E CA 1.331 57.699 56.400 -0.053 0.000 0.800 715 E CB -0.238 29.433 29.700 -0.050 0.000 0.746 715 E HN 0.515 nan 8.360 nan 0.000 0.452 716 E N 0.600 120.800 120.200 0.001 0.000 2.038 716 E HA -0.202 4.151 4.350 0.004 0.000 0.195 716 E C 1.915 178.527 176.600 0.021 0.000 1.000 716 E CA 0.840 57.250 56.400 0.016 0.000 0.803 716 E CB -0.535 29.191 29.700 0.042 0.000 0.750 716 E HN 0.211 nan 8.360 nan 0.000 0.448 717 F N 2.178 122.079 119.950 -0.083 0.000 2.025 717 F HA -0.245 4.285 4.527 0.004 0.000 0.297 717 F C 2.169 177.887 175.800 -0.138 0.000 1.132 717 F CA 1.319 59.255 58.000 -0.107 0.000 1.191 717 F CB -0.455 38.471 39.000 -0.123 0.000 0.963 717 F HN -0.082 nan 8.300 nan 0.000 0.481 718 I N 1.042 121.358 120.570 -0.423 0.000 2.315 718 I HA -0.242 3.930 4.170 0.004 0.000 0.251 718 I C 2.665 178.569 176.117 -0.355 0.000 1.125 718 I CA 1.610 62.611 61.300 -0.498 0.000 1.392 718 I CB -2.407 35.464 38.000 -0.215 0.000 1.065 718 I HN 0.398 nan 8.210 nan 0.000 0.424 719 G N -0.099 108.567 108.800 -0.223 0.000 2.712 719 G HA2 -0.130 3.833 3.960 0.004 0.000 0.212 719 G HA3 -0.130 3.833 3.960 0.004 0.000 0.212 719 G C 1.549 176.369 174.900 -0.135 0.000 1.142 719 G CA 0.956 45.969 45.100 -0.144 0.000 0.789 719 G HN 0.497 nan 8.290 nan 0.000 0.535 720 T N -1.771 112.675 114.554 -0.180 0.000 3.065 720 T HA 0.193 4.545 4.350 0.004 0.000 0.252 720 T C 0.832 175.454 174.700 -0.130 0.000 1.099 720 T CA -0.223 61.811 62.100 -0.110 0.000 1.063 720 T CB 0.149 68.989 68.868 -0.046 0.000 0.948 720 T HN -0.119 nan 8.240 nan 0.000 0.506 721 V N 3.126 122.888 119.914 -0.254 0.000 2.409 721 V HA 0.255 4.378 4.120 0.004 0.000 0.270 721 V C 0.511 176.576 176.094 -0.047 0.000 1.019 721 V CA -0.165 62.029 62.300 -0.176 0.000 1.066 721 V CB -0.751 30.881 31.823 -0.319 0.000 1.021 721 V HN 0.433 nan 8.190 nan 0.000 0.476 722 R N 3.031 123.544 120.500 0.021 0.000 2.573 722 R HA 0.817 5.159 4.340 0.004 0.000 0.272 722 R C 0.370 176.700 176.300 0.049 0.000 1.009 722 R CA 0.078 56.193 56.100 0.025 0.000 1.059 722 R CB 1.694 32.012 30.300 0.029 0.000 1.112 722 R HN 0.987 nan 8.270 nan 0.000 0.517 723 G N 0.851 109.671 108.800 0.033 0.000 2.351 723 G HA2 -0.062 3.901 3.960 0.004 0.000 0.472 723 G HA3 -0.062 3.901 3.960 0.004 0.000 0.472 723 G C -0.365 174.551 174.900 0.027 0.000 1.570 723 G CA -0.886 44.237 45.100 0.040 0.000 0.921 723 G HN 0.395 nan 8.290 nan 0.000 0.674 724 K N 0.879 121.291 120.400 0.019 0.000 2.076 724 K HA 0.172 4.495 4.320 0.004 0.000 0.204 724 K C 2.722 179.327 176.600 0.008 0.000 1.051 724 K CA 1.582 57.871 56.287 0.003 0.000 0.949 724 K CB -0.730 31.770 32.500 -0.001 0.000 0.726 724 K HN 0.840 nan 8.250 nan 0.000 0.443 725 A N 2.409 125.254 122.820 0.041 0.000 1.845 725 A HA -0.113 4.210 4.320 0.004 0.000 0.215 725 A C 2.295 179.965 177.584 0.144 0.000 1.195 725 A CA 1.709 53.796 52.037 0.083 0.000 0.616 725 A CB -0.435 18.630 19.000 0.108 0.000 0.832 725 A HN 0.106 nan 8.150 nan 0.000 0.443 726 M N -0.135 119.580 119.600 0.191 0.000 2.267 726 M HA -0.152 4.330 4.480 0.004 0.000 0.263 726 M C 1.934 178.330 176.300 0.161 0.000 1.063 726 M CA 1.647 57.130 55.300 0.305 0.000 1.090 726 M CB -1.303 31.436 32.600 0.233 0.000 1.392 726 M HN 0.549 nan 8.290 nan 0.000 0.422 727 K N 0.862 121.277 120.400 0.026 0.000 2.097 727 K HA -0.245 4.077 4.320 0.004 0.000 0.214 727 K C 1.928 178.442 176.600 -0.144 0.000 1.052 727 K CA 1.653 57.909 56.287 -0.052 0.000 0.932 727 K CB 0.031 32.492 32.500 -0.065 0.000 0.716 727 K HN 0.233 nan 8.250 nan 0.000 0.455 728 K N 0.003 120.215 120.400 -0.313 0.000 2.015 728 K HA -0.219 4.103 4.320 0.004 0.000 0.220 728 K C 2.057 178.368 176.600 -0.482 0.000 1.055 728 K CA 2.380 58.332 56.287 -0.558 0.000 0.951 728 K CB -0.839 31.024 32.500 -1.062 0.000 0.725 728 K HN 0.455 nan 8.250 nan 0.000 0.449 729 W N 1.020 122.303 121.300 -0.029 0.000 2.418 729 W HA -0.054 4.608 4.660 0.004 0.000 0.292 729 W C 2.242 178.727 176.519 -0.057 0.000 1.213 729 W CA -0.060 57.264 57.345 -0.035 0.000 1.283 729 W CB -1.125 28.326 29.460 -0.016 0.000 1.119 729 W HN -0.209 nan 8.180 nan 0.000 0.542 730 V N 1.497 121.481 119.914 0.117 0.000 2.255 730 V HA -0.330 3.793 4.120 0.004 0.000 0.247 730 V C 2.172 178.249 176.094 -0.028 0.000 1.051 730 V CA 2.380 64.685 62.300 0.008 0.000 1.018 730 V CB -1.004 30.796 31.823 -0.038 0.000 0.641 730 V HN 0.223 nan 8.190 nan 0.000 0.445 731 E N 0.040 120.210 120.200 -0.050 0.000 2.070 731 E HA -0.270 4.083 4.350 0.004 0.000 0.197 731 E C 2.397 178.964 176.600 -0.055 0.000 1.004 731 E CA 1.718 58.080 56.400 -0.064 0.000 0.805 731 E CB -0.405 29.244 29.700 -0.085 0.000 0.744 731 E HN 0.523 nan 8.360 nan 0.000 0.451 732 S N 0.712 116.386 115.700 -0.044 0.000 2.359 732 S HA -0.185 4.287 4.470 0.004 0.000 0.223 732 S C 2.033 176.619 174.600 -0.024 0.000 1.039 732 S CA 1.211 59.395 58.200 -0.027 0.000 1.042 732 S CB -0.278 62.931 63.200 0.015 0.000 0.915 732 S HN 0.207 nan 8.310 nan 0.000 0.439 733 I N 0.837 121.404 120.570 -0.005 0.000 2.394 733 I HA -0.134 4.038 4.170 0.004 0.000 0.251 733 I C 2.504 178.579 176.117 -0.070 0.000 1.136 733 I CA 1.363 62.642 61.300 -0.034 0.000 1.425 733 I CB -0.807 37.183 38.000 -0.016 0.000 1.079 733 I HN 0.337 nan 8.210 nan 0.000 0.425 734 T N 0.885 115.398 114.554 -0.068 0.000 2.746 734 T HA -0.144 4.208 4.350 0.004 0.000 0.267 734 T C 1.900 176.553 174.700 -0.079 0.000 1.039 734 T CA 1.196 63.250 62.100 -0.077 0.000 1.142 734 T CB -0.103 68.724 68.868 -0.069 0.000 0.866 734 T HN 0.335 nan 8.240 nan 0.000 0.444 735 K N 0.717 121.074 120.400 -0.072 0.000 2.057 735 K HA 0.047 4.370 4.320 0.004 0.000 0.207 735 K C 2.245 178.789 176.600 -0.094 0.000 1.049 735 K CA 1.107 57.350 56.287 -0.074 0.000 0.931 735 K CB -0.358 32.104 32.500 -0.063 0.000 0.714 735 K HN 0.332 nan 8.250 nan 0.000 0.440 736 I N 1.202 121.711 120.570 -0.101 0.000 2.286 736 I HA -0.274 3.898 4.170 0.004 0.000 0.248 736 I C 2.290 178.292 176.117 -0.192 0.000 1.115 736 I CA 1.207 62.426 61.300 -0.135 0.000 1.392 736 I CB -0.265 37.660 38.000 -0.125 0.000 1.065 736 I HN 0.134 nan 8.210 nan 0.000 0.418 737 I N 0.204 120.673 120.570 -0.167 0.000 2.315 737 I HA -0.263 3.910 4.170 0.004 0.000 0.248 737 I C 2.561 178.583 176.117 -0.159 0.000 1.117 737 I CA 1.092 62.285 61.300 -0.179 0.000 1.404 737 I CB -0.298 37.621 38.000 -0.136 0.000 1.071 737 I HN 0.313 nan 8.210 nan 0.000 0.419 738 Q N 0.216 119.945 119.800 -0.117 0.000 2.123 738 Q HA -0.159 4.184 4.340 0.004 0.000 0.199 738 Q C 2.165 178.099 176.000 -0.109 0.000 0.966 738 Q CA 1.026 56.776 55.803 -0.087 0.000 0.845 738 Q CB -0.537 28.164 28.738 -0.063 0.000 0.907 738 Q HN 0.479 nan 8.270 nan 0.000 0.439 739 R N 0.918 121.338 120.500 -0.134 0.000 2.152 739 R HA -0.096 4.246 4.340 0.004 0.000 0.232 739 R C 1.549 177.734 176.300 -0.192 0.000 1.117 739 R CA 0.944 56.964 56.100 -0.133 0.000 0.981 739 R CB 0.262 30.488 30.300 -0.123 0.000 0.870 739 R HN -0.030 nan 8.270 nan 0.000 0.451 740 K N 0.374 120.574 120.400 -0.334 0.000 2.305 740 K HA -0.023 4.299 4.320 0.004 0.000 0.199 740 K C 1.711 178.115 176.600 -0.325 0.000 1.047 740 K CA 0.819 56.766 56.287 -0.567 0.000 0.976 740 K CB 0.241 31.872 32.500 -1.450 0.000 0.765 740 K HN 0.246 nan 8.250 nan 0.000 0.474 741 K N 0.847 121.164 120.400 -0.138 0.000 2.098 741 K HA 0.046 4.369 4.320 0.004 0.000 0.203 741 K C 2.256 178.868 176.600 0.019 0.000 1.051 741 K CA 0.727 57.036 56.287 0.037 0.000 0.957 741 K CB -0.151 32.385 32.500 0.059 0.000 0.738 741 K HN 0.128 nan 8.250 nan 0.000 0.447 742 I N -0.776 119.782 120.570 -0.020 0.000 2.090 742 I HA -0.100 4.073 4.170 0.004 0.000 0.236 742 I C 1.142 177.257 176.117 -0.003 0.000 1.064 742 I CA 0.902 62.196 61.300 -0.010 0.000 1.324 742 I CB -0.326 37.660 38.000 -0.023 0.000 1.044 742 I HN -0.053 nan 8.210 nan 0.000 0.399 751 N N 3.058 121.661 118.700 -0.161 0.000 2.509 751 N HA 0.445 5.187 4.740 0.004 0.000 0.287 751 N C -0.485 174.860 175.510 -0.275 0.000 1.121 751 N CA -0.508 52.445 53.050 -0.161 0.000 0.977 751 N CB 1.289 39.725 38.487 -0.084 0.000 1.167 751 N HN 0.259 nan 8.380 nan 0.000 0.476 752 I N 0.869 121.290 120.570 -0.248 0.000 2.433 752 I HA 0.326 4.498 4.170 0.004 0.000 0.292 752 I C 0.025 175.937 176.117 -0.342 0.000 1.001 752 I CA -0.705 60.379 61.300 -0.359 0.000 1.119 752 I CB 1.148 38.880 38.000 -0.446 0.000 1.289 752 I HN 0.532 nan 8.210 nan 0.000 0.438 753 T N 2.629 116.969 114.554 -0.357 0.000 2.824 753 T HA 0.700 5.053 4.350 0.004 0.000 0.280 753 T C -0.569 173.937 174.700 -0.324 0.000 0.995 753 T CA -0.517 61.446 62.100 -0.229 0.000 1.009 753 T CB 1.415 70.213 68.868 -0.116 0.000 0.955 753 T HN 0.117 nan 8.240 nan 0.000 0.452 754 F N 1.414 121.361 119.950 -0.004 0.000 2.470 754 F HA 0.438 4.968 4.527 0.004 0.000 0.329 754 F C 1.779 177.580 175.800 0.003 0.000 1.072 754 F CA -1.044 56.957 58.000 0.001 0.000 0.989 754 F CB 1.756 40.761 39.000 0.009 0.000 1.193 754 F HN 0.505 nan 8.300 nan 0.000 0.481 755 Q N 0.755 120.728 119.800 0.288 0.000 1.948 755 Q HA -0.102 4.241 4.340 0.004 0.000 0.205 755 Q C 0.897 176.966 176.000 0.115 0.000 0.992 755 Q CA 1.813 57.704 55.803 0.147 0.000 0.849 755 Q CB -0.502 28.310 28.738 0.123 0.000 0.918 755 Q HN 0.760 nan 8.270 nan 0.000 0.421 756 S N -1.023 114.734 115.700 0.096 0.000 2.713 756 S HA 0.489 4.961 4.470 0.004 0.000 0.296 756 S C -0.107 174.513 174.600 0.033 0.000 1.114 756 S CA -0.795 57.432 58.200 0.045 0.000 0.997 756 S CB 1.725 64.930 63.200 0.007 0.000 1.249 756 S HN 0.125 nan 8.310 nan 0.000 0.534 757 S N 1.988 117.686 115.700 -0.002 0.000 2.509 757 S HA 0.599 5.071 4.470 0.004 0.000 0.297 757 S C -2.682 171.875 174.600 -0.072 0.000 1.118 757 S CA -1.687 56.504 58.200 -0.015 0.000 1.074 757 S CB 0.317 63.522 63.200 0.008 0.000 1.038 757 S HN 0.637 nan 8.310 nan 0.000 0.498 758 P HA 0.234 nan 4.420 nan 0.000 0.268 758 P C -2.519 174.737 177.300 -0.073 0.000 1.204 758 P CA -0.954 62.073 63.100 -0.122 0.000 0.768 758 P CB -0.494 31.140 31.700 -0.109 0.000 0.842 759 P HA 0.018 nan 4.420 nan 0.000 0.269 759 P C -0.224 177.040 177.300 -0.060 0.000 1.217 759 P CA 0.103 63.163 63.100 -0.066 0.000 0.783 759 P CB 0.136 31.788 31.700 -0.080 0.000 0.898 760 T N 1.023 115.549 114.554 -0.048 0.000 2.888 760 T HA 0.105 4.457 4.350 0.004 0.000 0.301 760 T C 0.544 175.201 174.700 -0.072 0.000 1.001 760 T CA -0.340 61.741 62.100 -0.031 0.000 1.147 760 T CB 0.072 68.935 68.868 -0.008 0.000 0.931 760 T HN 0.131 nan 8.240 nan 0.000 0.541 761 V N 4.623 124.502 119.914 -0.059 0.000 2.540 761 V HA 0.030 4.152 4.120 0.004 0.000 0.297 761 V C 0.872 176.816 176.094 -0.249 0.000 1.024 761 V CA 0.189 62.385 62.300 -0.173 0.000 1.105 761 V CB 0.114 31.863 31.823 -0.124 0.000 0.938 761 V HN 0.778 nan 8.190 nan 0.000 0.482 762 E N 4.049 123.997 120.200 -0.420 0.000 2.197 762 E HA 0.303 4.655 4.350 0.004 0.000 0.281 762 E C -1.125 175.192 176.600 -0.471 0.000 0.995 762 E CA -0.233 55.927 56.400 -0.400 0.000 0.808 762 E CB 1.532 30.842 29.700 -0.650 0.000 1.093 762 E HN 0.629 nan 8.360 nan 0.000 0.394 763 W N 0.543 121.873 121.300 0.051 0.000 2.706 763 W HA 0.236 4.899 4.660 0.004 0.000 0.346 763 W C 0.748 177.403 176.519 0.226 0.000 1.071 763 W CA -0.402 57.005 57.345 0.104 0.000 1.206 763 W CB 1.025 30.514 29.460 0.048 0.000 1.413 763 W HN 0.661 nan 8.180 nan 0.000 0.542 764 H N 0.314 119.553 119.070 0.282 0.000 5.016 764 H HA 0.402 4.960 4.556 0.004 0.000 0.159 764 H C 1.410 176.775 175.328 0.063 0.000 1.363 764 H CA 0.453 56.554 56.048 0.087 0.000 0.657 764 H CB -0.151 29.556 29.762 -0.091 0.000 1.535 764 H HN 0.373 nan 8.280 nan 0.000 0.340 765 I N 0.074 120.357 120.570 -0.478 0.000 2.286 765 I HA -0.067 4.106 4.170 0.004 0.000 0.245 765 I C 0.560 176.602 176.117 -0.126 0.000 1.104 765 I CA 0.654 61.711 61.300 -0.406 0.000 1.397 765 I CB -0.288 37.367 38.000 -0.575 0.000 1.072 765 I HN 0.099 nan 8.210 nan 0.000 0.417 766 S N 1.884 117.570 115.700 -0.024 0.000 2.564 766 S HA 0.288 4.760 4.470 0.004 0.000 0.278 766 S C 0.115 174.822 174.600 0.178 0.000 1.333 766 S CA -0.504 57.771 58.200 0.125 0.000 1.048 766 S CB 0.624 63.934 63.200 0.183 0.000 0.900 766 S HN 0.146 nan 8.310 nan 0.000 0.505 767 R N 1.515 122.080 120.500 0.107 0.000 2.832 767 R HA 0.510 4.853 4.340 0.004 0.000 0.271 767 R C -2.979 173.035 176.300 -0.476 0.000 0.996 767 R CA -2.869 53.100 56.100 -0.219 0.000 0.977 767 R CB -0.521 29.742 30.300 -0.062 0.000 1.168 767 R HN 0.305 nan 8.270 nan 0.000 0.482 768 P HA 0.014 nan 4.420 nan 0.000 0.264 768 P C 0.747 177.797 177.300 -0.417 0.000 1.183 768 P CA 1.311 63.923 63.100 -0.813 0.000 0.763 768 P CB 0.389 31.654 31.700 -0.725 0.000 0.807 769 G N 2.548 111.205 108.800 -0.237 0.000 2.336 769 G HA2 -0.241 3.721 3.960 0.004 0.000 0.233 769 G HA3 -0.241 3.721 3.960 0.004 0.000 0.233 769 G C 0.381 175.043 174.900 -0.397 0.000 1.053 769 G CA -0.311 44.592 45.100 -0.329 0.000 0.625 769 G HN 0.659 nan 8.290 nan 0.000 0.511 770 H N 1.721 120.729 119.070 -0.102 0.000 2.768 770 H HA 0.354 4.912 4.556 0.004 0.000 0.219 770 H C 2.177 177.327 175.328 -0.297 0.000 1.898 770 H CA 0.361 56.339 56.048 -0.117 0.000 1.313 770 H CB -0.737 29.003 29.762 -0.037 0.000 1.701 770 H HN 0.719 nan 8.280 nan 0.000 0.534 771 I N -1.541 118.707 120.570 -0.537 0.000 3.010 771 I HA -0.160 4.013 4.170 0.004 0.000 0.271 771 I C 0.795 176.572 176.117 -0.567 0.000 1.293 771 I CA 0.976 61.572 61.300 -1.174 0.000 1.452 771 I CB 0.110 37.659 38.000 -0.752 0.000 1.082 771 I HN 0.046 nan 8.210 nan 0.000 0.484 772 E N 1.529 121.604 120.200 -0.208 0.000 2.285 772 E HA -0.107 4.245 4.350 0.004 0.000 0.194 772 E C 2.103 178.721 176.600 0.030 0.000 0.997 772 E CA 1.524 57.894 56.400 -0.050 0.000 0.845 772 E CB -0.407 29.292 29.700 -0.002 0.000 0.782 772 E HN 0.714 nan 8.360 nan 0.000 0.491 773 T N -1.474 113.123 114.554 0.072 0.000 3.054 773 T HA 0.050 4.402 4.350 0.004 0.000 0.259 773 T C 0.464 175.291 174.700 0.212 0.000 1.092 773 T CA -0.359 61.829 62.100 0.146 0.000 1.121 773 T CB -0.314 68.634 68.868 0.133 0.000 0.912 773 T HN -0.131 nan 8.240 nan 0.000 0.489 774 F N 3.065 122.936 119.950 -0.132 0.000 2.604 774 F HA 0.379 4.908 4.527 0.004 0.000 0.390 774 F C 0.864 176.430 175.800 -0.390 0.000 1.053 774 F CA -0.191 57.573 58.000 -0.393 0.000 1.256 774 F CB -0.433 38.107 39.000 -0.766 0.000 0.996 774 F HN 0.270 nan 8.300 nan 0.000 0.564 775 D N 1.097 121.395 120.400 -0.169 0.000 2.710 775 D HA 0.091 4.733 4.640 0.004 0.000 0.276 775 D C 0.458 176.864 176.300 0.177 0.000 1.267 775 D CA -0.657 53.420 54.000 0.128 0.000 0.772 775 D CB 0.918 41.859 40.800 0.235 0.000 1.299 775 D HN 0.286 nan 8.370 nan 0.000 0.421 776 L N 1.251 122.719 121.223 0.408 0.000 2.081 776 L HA -0.014 4.328 4.340 0.004 0.000 0.212 776 L C 1.490 178.438 176.870 0.130 0.000 1.080 776 L CA 1.964 57.019 54.840 0.359 0.000 0.754 776 L CB -0.343 41.802 42.059 0.143 0.000 0.893 776 L HN 0.526 nan 8.230 nan 0.000 0.433 777 L N -1.671 119.568 121.223 0.027 0.000 2.463 777 L HA 0.053 4.395 4.340 0.004 0.000 0.219 777 L C 2.188 179.006 176.870 -0.087 0.000 1.088 777 L CA 0.847 55.654 54.840 -0.056 0.000 0.849 777 L CB -0.600 41.393 42.059 -0.110 0.000 1.012 777 L HN 0.396 nan 8.230 nan 0.000 0.468 778 T N -2.356 112.087 114.554 -0.185 0.000 3.043 778 T HA 0.134 4.487 4.350 0.004 0.000 0.263 778 T C 0.840 175.499 174.700 -0.067 0.000 1.094 778 T CA 0.135 62.079 62.100 -0.259 0.000 1.127 778 T CB -0.066 68.589 68.868 -0.354 0.000 0.905 778 T HN 0.004 nan 8.240 nan 0.000 0.490 779 L N 1.569 122.746 121.223 -0.078 0.000 2.421 779 L HA 0.357 4.700 4.340 0.004 0.000 0.263 779 L C 0.685 177.548 176.870 -0.012 0.000 1.122 779 L CA -1.164 53.611 54.840 -0.109 0.000 0.804 779 L CB 0.707 42.618 42.059 -0.246 0.000 1.150 779 L HN 0.299 nan 8.230 nan 0.000 0.457 780 H N 4.341 123.348 119.070 -0.105 0.000 2.848 780 H HA 0.075 4.634 4.556 0.004 0.000 0.317 780 H C -1.752 173.474 175.328 -0.169 0.000 1.046 780 H CA -1.845 54.111 56.048 -0.154 0.000 1.470 780 H CB 1.534 31.197 29.762 -0.164 0.000 1.483 780 H HN 0.320 nan 8.280 nan 0.000 0.548 781 P HA -0.164 nan 4.420 nan 0.000 0.218 781 P C 1.744 179.052 177.300 0.014 0.000 1.148 781 P CA 1.074 64.170 63.100 -0.007 0.000 0.822 781 P CB 0.470 32.107 31.700 -0.105 0.000 0.784 782 I N -0.149 120.520 120.570 0.166 0.000 2.179 782 I HA -0.223 3.950 4.170 0.004 0.000 0.242 782 I C 2.657 178.672 176.117 -0.171 0.000 1.088 782 I CA 1.609 62.849 61.300 -0.099 0.000 1.357 782 I CB -0.657 37.163 38.000 -0.300 0.000 1.051 782 I HN -0.035 nan 8.210 nan 0.000 0.409 783 E N 1.266 121.352 120.200 -0.190 0.000 2.106 783 E HA -0.142 4.210 4.350 0.004 0.000 0.192 783 E C 2.069 178.594 176.600 -0.125 0.000 0.984 783 E CA 1.120 57.385 56.400 -0.224 0.000 0.806 783 E CB -0.192 29.290 29.700 -0.364 0.000 0.750 783 E HN 0.423 nan 8.360 nan 0.000 0.458 784 I N 0.038 120.577 120.570 -0.051 0.000 2.226 784 I HA -0.305 3.868 4.170 0.004 0.000 0.245 784 I C 2.259 178.296 176.117 -0.133 0.000 1.100 784 I CA 1.147 62.462 61.300 0.024 0.000 1.374 784 I CB -0.395 37.697 38.000 0.153 0.000 1.057 784 I HN 0.140 nan 8.210 nan 0.000 0.413 785 A N 0.795 123.480 122.820 -0.225 0.000 1.898 785 A HA -0.187 4.135 4.320 0.004 0.000 0.216 785 A C 2.387 179.933 177.584 -0.062 0.000 1.181 785 A CA 1.383 53.212 52.037 -0.347 0.000 0.620 785 A CB -0.507 18.169 19.000 -0.541 0.000 0.819 785 A HN 0.302 nan 8.150 nan 0.000 0.442 786 R N -0.858 119.571 120.500 -0.118 0.000 2.073 786 R HA -0.110 4.233 4.340 0.004 0.000 0.234 786 R C 2.449 178.687 176.300 -0.103 0.000 1.134 786 R CA 1.489 57.517 56.100 -0.119 0.000 0.952 786 R CB -0.272 29.944 30.300 -0.140 0.000 0.850 786 R HN 0.493 nan 8.270 nan 0.000 0.433 787 Q N 0.591 120.344 119.800 -0.078 0.000 2.119 787 Q HA -0.081 4.262 4.340 0.004 0.000 0.201 787 Q C 2.278 178.238 176.000 -0.066 0.000 0.972 787 Q CA 1.218 57.000 55.803 -0.035 0.000 0.847 787 Q CB -0.147 28.629 28.738 0.063 0.000 0.903 787 Q HN 0.391 nan 8.270 nan 0.000 0.433 788 L N 0.201 121.346 121.223 -0.130 0.000 2.141 788 L HA -0.143 4.200 4.340 0.004 0.000 0.209 788 L C 2.281 179.115 176.870 -0.060 0.000 1.094 788 L CA 1.166 55.933 54.840 -0.121 0.000 0.763 788 L CB -0.454 41.573 42.059 -0.053 0.000 0.908 788 L HN 0.187 nan 8.230 nan 0.000 0.437 789 T N 0.015 114.546 114.554 -0.037 0.000 2.867 789 T HA -0.123 4.229 4.350 0.004 0.000 0.268 789 T C 1.942 176.482 174.700 -0.265 0.000 1.057 789 T CA 1.029 63.010 62.100 -0.199 0.000 1.136 789 T CB -0.082 68.608 68.868 -0.297 0.000 0.874 789 T HN 0.186 nan 8.240 nan 0.000 0.466 790 L N 0.096 121.209 121.223 -0.182 0.000 2.044 790 L HA 0.032 4.374 4.340 0.004 0.000 0.205 790 L C 2.435 179.277 176.870 -0.047 0.000 1.075 790 L CA 0.912 55.697 54.840 -0.091 0.000 0.747 790 L CB -0.418 41.620 42.059 -0.035 0.000 0.903 790 L HN 0.235 nan 8.230 nan 0.000 0.435 791 L N -0.247 120.931 121.223 -0.076 0.000 1.970 791 L HA -0.276 4.066 4.340 0.004 0.000 0.212 791 L C 2.533 179.297 176.870 -0.177 0.000 1.071 791 L CA 1.613 56.382 54.840 -0.118 0.000 0.751 791 L CB -0.284 41.680 42.059 -0.158 0.000 0.889 791 L HN 0.263 nan 8.230 nan 0.000 0.432 792 E N -1.175 118.895 120.200 -0.217 0.000 2.160 792 E HA -0.234 4.118 4.350 0.004 0.000 0.195 792 E C 2.251 178.862 176.600 0.019 0.000 0.991 792 E CA 1.341 57.646 56.400 -0.158 0.000 0.810 792 E CB -0.024 29.597 29.700 -0.132 0.000 0.742 792 E HN 0.312 nan 8.360 nan 0.000 0.466 793 S N 0.299 116.030 115.700 0.051 0.000 2.371 793 S HA -0.146 4.327 4.470 0.004 0.000 0.224 793 S C 1.439 176.171 174.600 0.220 0.000 1.029 793 S CA 1.143 59.471 58.200 0.214 0.000 0.978 793 S CB -0.103 63.277 63.200 0.300 0.000 0.833 793 S HN 0.177 nan 8.310 nan 0.000 0.466 794 D N 1.555 122.029 120.400 0.124 0.000 2.117 794 D HA -0.067 4.575 4.640 0.004 0.000 0.197 794 D C 1.985 178.327 176.300 0.070 0.000 0.987 794 D CA 0.970 55.027 54.000 0.096 0.000 0.829 794 D CB -0.498 40.336 40.800 0.057 0.000 0.961 794 D HN 0.379 nan 8.370 nan 0.000 0.460 795 L N -0.221 121.024 121.223 0.037 0.000 2.042 795 L HA -0.224 4.118 4.340 0.004 0.000 0.210 795 L C 2.498 179.413 176.870 0.076 0.000 1.076 795 L CA 1.086 55.935 54.840 0.015 0.000 0.749 795 L CB -0.491 41.542 42.059 -0.042 0.000 0.893 795 L HN 0.071 nan 8.230 nan 0.000 0.432 796 Y N 1.225 121.568 120.300 0.072 0.000 2.163 796 Y HA -0.209 4.343 4.550 0.004 0.000 0.288 796 Y C 2.617 178.614 175.900 0.162 0.000 1.136 796 Y CA 1.454 59.657 58.100 0.172 0.000 1.147 796 Y CB -0.165 38.412 38.460 0.196 0.000 0.987 796 Y HN -0.012 nan 8.280 nan 0.000 0.509 797 R N -0.006 120.526 120.500 0.054 0.000 2.328 797 R HA 0.020 4.363 4.340 0.004 0.000 0.207 797 R C 2.023 178.277 176.300 -0.078 0.000 1.056 797 R CA 0.654 56.736 56.100 -0.030 0.000 1.016 797 R CB -0.313 30.050 30.300 0.106 0.000 0.872 797 R HN 0.388 nan 8.270 nan 0.000 0.471 798 A N 0.861 123.641 122.820 -0.068 0.000 2.132 798 A HA 0.106 4.429 4.320 0.004 0.000 0.213 798 A C 0.844 178.366 177.584 -0.104 0.000 1.154 798 A CA -0.073 51.922 52.037 -0.069 0.000 0.753 798 A CB 0.476 19.449 19.000 -0.044 0.000 0.826 798 A HN 0.020 nan 8.150 nan 0.000 0.469 799 V N 2.549 122.377 119.914 -0.145 0.000 2.479 799 V HA 0.122 4.244 4.120 0.004 0.000 0.281 799 V C -0.137 175.890 176.094 -0.112 0.000 1.031 799 V CA -0.244 61.964 62.300 -0.154 0.000 1.038 799 V CB 0.613 32.309 31.823 -0.213 0.000 0.981 799 V HN 0.457 nan 8.190 nan 0.000 0.478 800 Q N 6.044 125.786 119.800 -0.097 0.000 2.205 800 Q HA 0.343 4.685 4.340 0.004 0.000 0.249 800 Q C -1.679 174.293 176.000 -0.046 0.000 0.948 800 Q CA -2.382 53.379 55.803 -0.070 0.000 0.895 800 Q CB 1.127 29.825 28.738 -0.068 0.000 1.249 800 Q HN 0.311 nan 8.270 nan 0.000 0.458 801 P HA -0.162 nan 4.420 nan 0.000 0.218 801 P C 1.121 178.441 177.300 0.032 0.000 1.148 801 P CA 1.611 64.728 63.100 0.028 0.000 0.822 801 P CB 0.229 31.977 31.700 0.080 0.000 0.784 802 S N -0.415 115.282 115.700 -0.006 0.000 2.469 802 S HA -0.175 4.297 4.470 0.004 0.000 0.238 802 S C 1.568 176.123 174.600 -0.075 0.000 0.998 802 S CA 1.059 59.205 58.200 -0.090 0.000 0.957 802 S CB -1.067 61.853 63.200 -0.466 0.000 0.764 802 S HN 0.323 nan 8.310 nan 0.000 0.514 803 E N 0.556 120.725 120.200 -0.052 0.000 2.478 803 E HA 0.211 4.563 4.350 0.004 0.000 0.194 803 E C 1.425 178.090 176.600 0.108 0.000 1.045 803 E CA 0.330 56.725 56.400 -0.008 0.000 0.868 803 E CB -0.065 29.591 29.700 -0.073 0.000 0.885 803 E HN 0.572 nan 8.360 nan 0.000 0.505 804 L N -0.143 121.149 121.223 0.114 0.000 2.526 804 L HA 0.144 4.487 4.340 0.004 0.000 0.210 804 L C 0.838 177.904 176.870 0.327 0.000 1.048 804 L CA -0.081 54.898 54.840 0.231 0.000 0.852 804 L CB 0.204 42.297 42.059 0.056 0.000 1.128 804 L HN -0.119 nan 8.230 nan 0.000 0.482 805 V N 1.597 121.606 119.914 0.158 0.000 2.788 805 V HA 0.135 4.258 4.120 0.004 0.000 0.307 805 V C 1.446 177.586 176.094 0.077 0.000 1.069 805 V CA 1.242 63.603 62.300 0.102 0.000 1.173 805 V CB 0.324 32.171 31.823 0.041 0.000 0.925 805 V HN 0.675 nan 8.190 nan 0.000 0.492 806 G N 3.618 112.439 108.800 0.034 0.000 2.168 806 G HA2 -0.291 3.671 3.960 0.004 0.000 0.257 806 G HA3 -0.291 3.671 3.960 0.004 0.000 0.257 806 G C 0.503 175.356 174.900 -0.078 0.000 0.997 806 G CA 0.508 45.594 45.100 -0.024 0.000 0.708 806 G HN 1.508 nan 8.290 nan 0.000 0.520 807 S N -2.629 113.028 115.700 -0.071 0.000 3.477 807 S HA -0.348 4.124 4.470 0.004 0.000 0.357 807 S C 2.071 176.378 174.600 -0.488 0.000 1.083 807 S CA 1.563 59.472 58.200 -0.483 0.000 1.042 807 S CB -2.034 60.860 63.200 -0.510 0.000 0.911 807 S HN 2.175 nan 8.310 nan 0.000 0.490 808 V N -1.431 118.404 119.914 -0.133 0.000 2.720 808 V HA -0.130 3.992 4.120 0.004 0.000 0.256 808 V C 1.847 177.898 176.094 -0.072 0.000 1.082 808 V CA 1.856 64.101 62.300 -0.091 0.000 1.101 808 V CB -1.233 30.588 31.823 -0.005 0.000 0.693 808 V HN 0.905 nan 8.190 nan 0.000 0.479 809 W N 2.231 123.503 121.300 -0.047 0.000 2.961 809 W HA 0.147 4.809 4.660 0.004 0.000 0.240 809 W C 1.716 178.213 176.519 -0.037 0.000 1.305 809 W CA 1.009 58.323 57.345 -0.052 0.000 1.465 809 W CB -1.125 28.294 29.460 -0.069 0.000 1.135 809 W HN 0.329 nan 8.180 nan 0.000 0.688 810 T N -3.193 110.960 114.554 -0.670 0.000 3.023 810 T HA 0.224 4.576 4.350 0.004 0.000 0.253 810 T C 0.898 175.439 174.700 -0.265 0.000 1.038 810 T CA -0.334 61.464 62.100 -0.504 0.000 0.962 810 T CB -0.016 68.445 68.868 -0.678 0.000 1.018 810 T HN -0.218 nan 8.240 nan 0.000 0.521 811 K N 2.286 122.555 120.400 -0.218 0.000 2.117 811 K HA 0.232 4.554 4.320 0.004 0.000 0.240 811 K C 1.521 178.071 176.600 -0.084 0.000 1.031 811 K CA -0.298 55.909 56.287 -0.134 0.000 0.909 811 K CB 0.611 33.041 32.500 -0.117 0.000 1.097 811 K HN 0.554 nan 8.250 nan 0.000 0.492 812 E N -0.198 119.965 120.200 -0.061 0.000 2.347 812 E HA -0.137 4.215 4.350 0.004 0.000 0.196 812 E C -0.369 176.213 176.600 -0.030 0.000 1.008 812 E CA 1.005 57.381 56.400 -0.040 0.000 0.852 812 E CB 0.082 29.762 29.700 -0.033 0.000 0.783 812 E HN 0.287 nan 8.360 nan 0.000 0.505 813 D N 1.446 121.826 120.400 -0.034 0.000 2.460 813 D HA 0.011 4.653 4.640 0.004 0.000 0.229 813 D C 1.118 177.406 176.300 -0.019 0.000 1.170 813 D CA 0.118 54.103 54.000 -0.025 0.000 0.827 813 D CB 0.340 41.124 40.800 -0.026 0.000 0.973 813 D HN 0.391 nan 8.370 nan 0.000 0.496 814 K N 0.437 120.827 120.400 -0.016 0.000 2.103 814 K HA -0.124 4.199 4.320 0.004 0.000 0.207 814 K C 1.155 177.763 176.600 0.013 0.000 1.048 814 K CA 0.912 57.204 56.287 0.008 0.000 0.930 814 K CB 0.006 32.519 32.500 0.022 0.000 0.716 814 K HN -0.007 nan 8.250 nan 0.000 0.444 815 E N 0.959 121.161 120.200 0.004 0.000 2.204 815 E HA -0.103 4.249 4.350 0.004 0.000 0.195 815 E C 2.069 178.665 176.600 -0.007 0.000 0.990 815 E CA 1.008 57.409 56.400 0.001 0.000 0.821 815 E CB -0.124 29.576 29.700 -0.001 0.000 0.750 815 E HN 0.529 nan 8.360 nan 0.000 0.477 816 I N 1.102 121.666 120.570 -0.010 0.000 2.494 816 I HA -0.119 4.054 4.170 0.004 0.000 0.250 816 I C 1.778 177.880 176.117 -0.025 0.000 1.112 816 I CA 0.492 61.782 61.300 -0.015 0.000 1.438 816 I CB -0.046 37.946 38.000 -0.014 0.000 1.111 816 I HN -0.045 nan 8.210 nan 0.000 0.431 817 N N -0.006 118.680 118.700 -0.024 0.000 2.405 817 N HA 0.047 4.789 4.740 0.004 0.000 0.175 817 N C 0.594 176.085 175.510 -0.030 0.000 1.051 817 N CA 0.607 53.634 53.050 -0.037 0.000 0.899 817 N CB 0.483 38.952 38.487 -0.029 0.000 1.000 817 N HN 0.087 nan 8.380 nan 0.000 0.451 818 S N 1.244 116.942 115.700 -0.004 0.000 2.668 818 S HA 0.199 4.672 4.470 0.004 0.000 0.244 818 S C -1.723 172.857 174.600 -0.033 0.000 1.140 818 S CA -0.870 57.327 58.200 -0.004 0.000 1.134 818 S CB 1.347 64.599 63.200 0.086 0.000 0.954 818 S HN 0.206 nan 8.310 nan 0.000 0.490 819 P HA -0.135 nan 4.420 nan 0.000 0.215 819 P C 0.934 178.199 177.300 -0.059 0.000 1.157 819 P CA 1.286 64.362 63.100 -0.039 0.000 0.868 819 P CB 0.078 31.758 31.700 -0.032 0.000 0.788 820 N N 0.004 118.656 118.700 -0.079 0.000 2.120 820 N HA -0.121 4.621 4.740 0.004 0.000 0.188 820 N C 1.993 177.412 175.510 -0.151 0.000 1.024 820 N CA 0.772 53.763 53.050 -0.099 0.000 0.852 820 N CB -1.015 37.409 38.487 -0.105 0.000 1.003 820 N HN 0.119 nan 8.380 nan 0.000 0.424 821 L N 1.643 122.740 121.223 -0.210 0.000 1.994 821 L HA -0.055 4.287 4.340 0.004 0.000 0.208 821 L C 2.127 178.862 176.870 -0.225 0.000 1.071 821 L CA 1.368 56.003 54.840 -0.341 0.000 0.745 821 L CB -0.745 41.068 42.059 -0.409 0.000 0.892 821 L HN 0.069 nan 8.230 nan 0.000 0.431 822 L N -0.457 120.694 121.223 -0.120 0.000 2.191 822 L HA -0.230 4.113 4.340 0.004 0.000 0.212 822 L C 2.639 179.488 176.870 -0.036 0.000 1.103 822 L CA 1.471 56.279 54.840 -0.054 0.000 0.769 822 L CB -0.670 41.383 42.059 -0.010 0.000 0.908 822 L HN 0.369 nan 8.230 nan 0.000 0.438 823 K N 0.167 120.540 120.400 -0.044 0.000 2.057 823 K HA -0.189 4.133 4.320 0.004 0.000 0.206 823 K C 2.266 178.870 176.600 0.006 0.000 1.050 823 K CA 1.165 57.443 56.287 -0.015 0.000 0.935 823 K CB -0.028 32.459 32.500 -0.023 0.000 0.715 823 K HN 0.169 nan 8.250 nan 0.000 0.439 824 M N 1.046 120.626 119.600 -0.033 0.000 2.132 824 M HA -0.133 4.349 4.480 0.004 0.000 0.263 824 M C 1.832 178.160 176.300 0.046 0.000 1.065 824 M CA 1.512 56.810 55.300 -0.002 0.000 1.122 824 M CB -0.190 32.375 32.600 -0.058 0.000 1.365 824 M HN 0.181 nan 8.290 nan 0.000 0.411 825 I N -0.266 120.296 120.570 -0.014 0.000 2.315 825 I HA -0.303 3.869 4.170 0.004 0.000 0.248 825 I C 2.389 178.545 176.117 0.065 0.000 1.117 825 I CA 1.095 62.410 61.300 0.024 0.000 1.404 825 I CB -0.430 37.559 38.000 -0.019 0.000 1.071 825 I HN 0.322 nan 8.210 nan 0.000 0.419 826 R N -0.333 120.198 120.500 0.052 0.000 2.092 826 R HA -0.213 4.130 4.340 0.004 0.000 0.231 826 R C 2.347 178.679 176.300 0.054 0.000 1.119 826 R CA 1.521 57.650 56.100 0.048 0.000 0.970 826 R CB -0.494 29.824 30.300 0.031 0.000 0.864 826 R HN 0.438 nan 8.270 nan 0.000 0.440 827 H N -0.066 119.005 119.070 0.002 0.000 2.321 827 H HA -0.067 4.492 4.556 0.004 0.000 0.300 827 H C 1.718 177.055 175.328 0.016 0.000 1.087 827 H CA 2.229 58.275 56.048 -0.003 0.000 1.319 827 H CB -0.108 29.651 29.762 -0.006 0.000 1.379 827 H HN -0.024 nan 8.280 nan 0.000 0.501 828 T N -0.434 114.196 114.554 0.126 0.000 2.720 828 T HA -0.191 4.161 4.350 0.004 0.000 0.268 828 T C 1.902 176.625 174.700 0.039 0.000 1.037 828 T CA 2.008 64.171 62.100 0.105 0.000 1.144 828 T CB -0.518 68.459 68.868 0.182 0.000 0.864 828 T HN 0.517 nan 8.240 nan 0.000 0.444 829 T N 2.415 116.998 114.554 0.049 0.000 2.708 829 T HA -0.087 4.265 4.350 0.004 0.000 0.266 829 T C 2.025 176.745 174.700 0.033 0.000 1.037 829 T CA 0.924 63.062 62.100 0.063 0.000 1.146 829 T CB -0.356 68.554 68.868 0.069 0.000 0.865 829 T HN 0.332 nan 8.240 nan 0.000 0.435 830 N N 1.090 119.765 118.700 -0.041 0.000 2.223 830 N HA -0.029 4.713 4.740 0.004 0.000 0.185 830 N C 1.740 177.207 175.510 -0.072 0.000 1.016 830 N CA 0.712 53.722 53.050 -0.066 0.000 0.863 830 N CB -0.368 38.037 38.487 -0.137 0.000 0.983 830 N HN 0.207 nan 8.380 nan 0.000 0.429 831 L N 1.060 122.173 121.223 -0.184 0.000 2.109 831 L HA -0.018 4.325 4.340 0.004 0.000 0.207 831 L C 2.093 178.913 176.870 -0.084 0.000 1.086 831 L CA 1.433 56.142 54.840 -0.219 0.000 0.760 831 L CB -0.812 41.048 42.059 -0.330 0.000 0.910 831 L HN 0.040 nan 8.230 nan 0.000 0.437 832 T N -0.397 114.215 114.554 0.096 0.000 2.777 832 T HA -0.143 4.209 4.350 0.004 0.000 0.266 832 T C 1.937 176.802 174.700 0.275 0.000 1.040 832 T CA 1.570 63.830 62.100 0.266 0.000 1.141 832 T CB -0.242 68.756 68.868 0.217 0.000 0.868 832 T HN 0.230 nan 8.240 nan 0.000 0.444 833 L N -0.848 120.515 121.223 0.234 0.000 2.056 833 L HA -0.070 4.272 4.340 0.004 0.000 0.207 833 L C 2.435 179.525 176.870 0.366 0.000 1.078 833 L CA 1.312 56.346 54.840 0.323 0.000 0.749 833 L CB -0.454 41.809 42.059 0.340 0.000 0.901 833 L HN 0.399 nan 8.230 nan 0.000 0.433 834 W N 0.642 121.982 121.300 0.067 0.000 2.358 834 W HA -0.231 4.431 4.660 0.003 0.000 0.303 834 W C 2.269 178.872 176.519 0.141 0.000 1.208 834 W CA 1.276 58.649 57.345 0.048 0.000 1.274 834 W CB -0.360 29.035 29.460 -0.108 0.000 1.138 834 W HN -0.014 nan 8.180 nan 0.000 0.515 835 F N 1.096 121.156 119.950 0.183 0.000 2.126 835 F HA -0.185 4.344 4.527 0.004 0.000 0.299 835 F C 2.363 178.145 175.800 -0.030 0.000 1.096 835 F CA 2.071 60.065 58.000 -0.011 0.000 1.255 835 F CB -1.325 37.745 39.000 0.117 0.000 0.997 835 F HN -0.006 nan 8.300 nan 0.000 0.479 836 E N -0.144 120.214 120.200 0.263 0.000 2.077 836 E HA -0.233 4.119 4.350 0.004 0.000 0.193 836 E C 2.246 178.902 176.600 0.093 0.000 0.989 836 E CA 1.184 57.680 56.400 0.161 0.000 0.800 836 E CB -0.172 29.629 29.700 0.168 0.000 0.746 836 E HN 0.301 nan 8.360 nan 0.000 0.452 837 K N 0.468 120.952 120.400 0.141 0.000 2.026 837 K HA -0.148 4.174 4.320 0.004 0.000 0.208 837 K C 2.163 178.779 176.600 0.027 0.000 1.048 837 K CA 1.359 57.734 56.287 0.147 0.000 0.929 837 K CB -0.147 32.544 32.500 0.318 0.000 0.713 837 K HN 0.179 nan 8.250 nan 0.000 0.439 838 C N 0.706 119.941 119.300 -0.108 0.000 2.413 838 C HA -0.091 4.372 4.460 0.004 0.000 0.277 838 C C 2.474 177.435 174.990 -0.048 0.000 1.265 838 C CA 0.503 59.437 59.018 -0.139 0.000 1.752 838 C CB -0.737 26.796 27.740 -0.345 0.000 1.998 838 C HN 0.472 nan 8.230 nan 0.000 0.489 839 I N 1.296 121.841 120.570 -0.042 0.000 2.141 839 I HA -0.136 4.037 4.170 0.004 0.000 0.236 839 I C 2.501 178.570 176.117 -0.080 0.000 1.071 839 I CA 1.788 63.054 61.300 -0.056 0.000 1.345 839 I CB -0.805 37.166 38.000 -0.048 0.000 1.066 839 I HN 0.259 nan 8.210 nan 0.000 0.406 840 V N -1.463 118.401 119.914 -0.083 0.000 2.720 840 V HA -0.166 3.956 4.120 0.004 0.000 0.256 840 V C 1.701 177.700 176.094 -0.158 0.000 1.082 840 V CA 1.566 63.781 62.300 -0.143 0.000 1.101 840 V CB -0.935 30.783 31.823 -0.175 0.000 0.693 840 V HN 0.435 nan 8.190 nan 0.000 0.479 841 E N 0.297 120.447 120.200 -0.083 0.000 2.489 841 E HA 0.072 4.424 4.350 0.004 0.000 0.193 841 E C 0.269 176.814 176.600 -0.092 0.000 1.057 841 E CA 0.301 56.666 56.400 -0.058 0.000 0.866 841 E CB 0.164 29.896 29.700 0.052 0.000 0.916 841 E HN 0.561 nan 8.360 nan 0.000 0.500 842 T N 1.478 115.973 114.554 -0.099 0.000 3.281 842 T HA 0.109 4.461 4.350 0.004 0.000 0.359 842 T C 0.720 175.306 174.700 -0.191 0.000 1.459 842 T CA -0.147 61.895 62.100 -0.095 0.000 1.114 842 T CB 0.543 69.429 68.868 0.031 0.000 1.162 842 T HN 0.119 nan 8.240 nan 0.000 0.665 843 E N 1.759 121.781 120.200 -0.298 0.000 2.085 843 E HA -0.116 4.236 4.350 0.004 0.000 0.194 843 E C 1.249 177.609 176.600 -0.400 0.000 0.994 843 E CA 0.507 56.559 56.400 -0.580 0.000 0.801 843 E CB 0.110 29.313 29.700 -0.829 0.000 0.743 843 E HN 0.475 nan 8.360 nan 0.000 0.453 844 N N 1.586 120.206 118.700 -0.134 0.000 2.452 844 N HA -0.084 4.658 4.740 0.004 0.000 0.266 844 N C 0.921 176.418 175.510 -0.022 0.000 1.209 844 N CA -0.097 52.957 53.050 0.007 0.000 0.929 844 N CB 1.165 39.665 38.487 0.021 0.000 1.063 844 N HN 0.016 nan 8.380 nan 0.000 0.472 845 L N 5.011 126.236 121.223 0.003 0.000 1.990 845 L HA -0.160 4.182 4.340 0.004 0.000 0.213 845 L C 2.199 179.053 176.870 -0.026 0.000 1.072 845 L CA 1.926 56.751 54.840 -0.025 0.000 0.755 845 L CB -0.749 41.303 42.059 -0.012 0.000 0.889 845 L HN 0.723 nan 8.230 nan 0.000 0.432 846 E N -0.567 119.630 120.200 -0.006 0.000 2.085 846 E HA -0.263 4.089 4.350 0.004 0.000 0.194 846 E C 1.974 178.576 176.600 0.003 0.000 0.994 846 E CA 1.761 58.158 56.400 -0.005 0.000 0.801 846 E CB -0.067 29.637 29.700 0.005 0.000 0.743 846 E HN 0.704 nan 8.360 nan 0.000 0.453 847 E N -0.068 120.151 120.200 0.031 0.000 2.107 847 E HA -0.173 4.180 4.350 0.004 0.000 0.191 847 E C 2.256 178.886 176.600 0.051 0.000 0.982 847 E CA 0.500 56.952 56.400 0.087 0.000 0.809 847 E CB -0.124 29.692 29.700 0.194 0.000 0.756 847 E HN 0.120 nan 8.360 nan 0.000 0.459 848 R N 0.973 121.471 120.500 -0.004 0.000 2.120 848 R HA -0.114 4.228 4.340 0.004 0.000 0.234 848 R C 2.198 178.433 176.300 -0.108 0.000 1.123 848 R CA 0.811 56.876 56.100 -0.060 0.000 0.975 848 R CB -0.027 30.207 30.300 -0.110 0.000 0.866 848 R HN -0.001 nan 8.270 nan 0.000 0.446 849 V N 0.822 120.675 119.914 -0.102 0.000 2.358 849 V HA -0.206 3.916 4.120 0.004 0.000 0.246 849 V C 2.412 178.446 176.094 -0.100 0.000 1.047 849 V CA 1.863 64.088 62.300 -0.125 0.000 1.035 849 V CB -0.583 31.186 31.823 -0.089 0.000 0.658 849 V HN 0.538 nan 8.190 nan 0.000 0.452 850 A N -0.199 122.581 122.820 -0.066 0.000 1.902 850 A HA -0.156 4.166 4.320 0.004 0.000 0.217 850 A C 2.399 179.930 177.584 -0.087 0.000 1.181 850 A CA 2.062 54.060 52.037 -0.066 0.000 0.623 850 A CB -0.681 18.290 19.000 -0.048 0.000 0.818 850 A HN 0.326 nan 8.150 nan 0.000 0.443 851 V N -0.420 119.443 119.914 -0.084 0.000 2.255 851 V HA -0.246 3.876 4.120 0.004 0.000 0.247 851 V C 2.574 178.603 176.094 -0.109 0.000 1.051 851 V CA 2.075 64.321 62.300 -0.090 0.000 1.018 851 V CB -0.841 30.951 31.823 -0.052 0.000 0.641 851 V HN 0.366 nan 8.190 nan 0.000 0.445 852 V N -0.416 119.416 119.914 -0.137 0.000 2.343 852 V HA -0.255 3.867 4.120 0.004 0.000 0.247 852 V C 2.603 178.624 176.094 -0.121 0.000 1.051 852 V CA 2.334 64.540 62.300 -0.158 0.000 1.036 852 V CB -0.595 31.063 31.823 -0.276 0.000 0.654 852 V HN 0.539 nan 8.190 nan 0.000 0.451 853 S N -0.727 114.908 115.700 -0.108 0.000 2.368 853 S HA -0.234 4.239 4.470 0.004 0.000 0.225 853 S C 2.148 176.690 174.600 -0.096 0.000 1.030 853 S CA 1.719 59.867 58.200 -0.086 0.000 0.999 853 S CB -0.328 62.827 63.200 -0.076 0.000 0.844 853 S HN 0.439 nan 8.310 nan 0.000 0.459 854 R N 1.314 121.751 120.500 -0.104 0.000 2.081 854 R HA 0.088 4.431 4.340 0.004 0.000 0.235 854 R C 1.928 178.154 176.300 -0.123 0.000 1.131 854 R CA 1.326 57.361 56.100 -0.109 0.000 0.960 854 R CB -0.672 29.572 30.300 -0.094 0.000 0.856 854 R HN 0.458 nan 8.270 nan 0.000 0.436 855 I N -0.313 120.166 120.570 -0.152 0.000 2.315 855 I HA -0.235 3.937 4.170 0.004 0.000 0.248 855 I C 1.939 177.915 176.117 -0.235 0.000 1.117 855 I CA 1.141 62.281 61.300 -0.265 0.000 1.404 855 I CB -0.200 37.564 38.000 -0.392 0.000 1.071 855 I HN 0.137 nan 8.210 nan 0.000 0.419 856 I N 0.476 120.958 120.570 -0.147 0.000 2.394 856 I HA -0.220 3.952 4.170 0.004 0.000 0.251 856 I C 2.357 178.413 176.117 -0.101 0.000 1.136 856 I CA 1.231 62.473 61.300 -0.096 0.000 1.425 856 I CB -0.318 37.656 38.000 -0.043 0.000 1.079 856 I HN 0.265 nan 8.210 nan 0.000 0.425 857 E N 0.916 121.047 120.200 -0.116 0.000 2.106 857 E HA -0.164 4.188 4.350 0.004 0.000 0.192 857 E C 2.316 178.816 176.600 -0.167 0.000 0.984 857 E CA 1.117 57.447 56.400 -0.117 0.000 0.806 857 E CB -0.004 29.628 29.700 -0.113 0.000 0.750 857 E HN 0.513 nan 8.360 nan 0.000 0.458 858 I N 1.079 121.518 120.570 -0.219 0.000 2.286 858 I HA -0.263 3.909 4.170 0.004 0.000 0.248 858 I C 2.548 178.377 176.117 -0.479 0.000 1.115 858 I CA 0.511 61.581 61.300 -0.382 0.000 1.392 858 I CB -0.186 37.616 38.000 -0.330 0.000 1.065 858 I HN 0.128 nan 8.210 nan 0.000 0.418 859 L N 0.762 121.853 121.223 -0.219 0.000 2.042 859 L HA -0.286 4.057 4.340 0.004 0.000 0.210 859 L C 2.516 179.385 176.870 -0.003 0.000 1.076 859 L CA 1.941 56.776 54.840 -0.008 0.000 0.749 859 L CB -0.780 41.283 42.059 0.006 0.000 0.893 859 L HN 0.248 nan 8.230 nan 0.000 0.432 860 Q N -1.067 118.695 119.800 -0.063 0.000 2.061 860 Q HA -0.194 4.148 4.340 0.004 0.000 0.204 860 Q C 2.066 178.034 176.000 -0.053 0.000 0.984 860 Q CA 2.549 58.326 55.803 -0.044 0.000 0.846 860 Q CB -0.093 28.612 28.738 -0.056 0.000 0.902 860 Q HN 0.517 nan 8.270 nan 0.000 0.421 861 V N 0.306 120.146 119.914 -0.122 0.000 2.515 861 V HA -0.208 3.915 4.120 0.004 0.000 0.250 861 V C 1.945 178.017 176.094 -0.037 0.000 1.058 861 V CA 1.278 63.505 62.300 -0.121 0.000 1.064 861 V CB -0.658 31.041 31.823 -0.207 0.000 0.675 861 V HN 0.324 nan 8.190 nan 0.000 0.461 862 F N 0.803 120.707 119.950 -0.076 0.000 2.134 862 F HA -0.160 4.369 4.527 0.004 0.000 0.299 862 F C 2.639 178.350 175.800 -0.149 0.000 1.097 862 F CA 1.187 59.125 58.000 -0.102 0.000 1.264 862 F CB -0.982 37.977 39.000 -0.068 0.000 1.001 862 F HN 0.214 nan 8.300 nan 0.000 0.479 863 Q N -0.012 119.835 119.800 0.077 0.000 2.084 863 Q HA -0.210 4.133 4.340 0.004 0.000 0.202 863 Q C 2.072 178.035 176.000 -0.061 0.000 0.978 863 Q CA 1.598 57.377 55.803 -0.040 0.000 0.844 863 Q CB -0.455 28.290 28.738 0.011 0.000 0.898 863 Q HN 0.546 nan 8.270 nan 0.000 0.426 864 E N 0.719 120.907 120.200 -0.019 0.000 2.058 864 E HA -0.144 4.208 4.350 0.004 0.000 0.194 864 E C 1.857 178.452 176.600 -0.008 0.000 0.997 864 E CA 0.827 57.217 56.400 -0.016 0.000 0.801 864 E CB -0.064 29.625 29.700 -0.018 0.000 0.746 864 E HN 0.297 nan 8.360 nan 0.000 0.450 865 L N 0.835 122.064 121.223 0.011 0.000 2.610 865 L HA 0.022 4.364 4.340 0.004 0.000 0.232 865 L C 0.134 177.042 176.870 0.064 0.000 1.149 865 L CA -0.107 54.777 54.840 0.073 0.000 0.872 865 L CB -0.318 41.767 42.059 0.043 0.000 0.992 865 L HN 0.147 nan 8.230 nan 0.000 0.447 866 N N 0.766 119.381 118.700 -0.142 0.000 2.747 866 N HA -0.212 4.530 4.740 0.004 0.000 0.249 866 N C 0.071 175.265 175.510 -0.526 0.000 1.107 866 N CA 0.631 53.414 53.050 -0.445 0.000 0.707 866 N CB -1.458 36.916 38.487 -0.188 0.000 1.054 866 N HN 0.341 nan 8.380 nan 0.000 0.555 867 N N 0.698 119.187 118.700 -0.353 0.000 2.868 867 N HA 0.172 4.914 4.740 0.004 0.000 0.252 867 N C 0.717 176.019 175.510 -0.347 0.000 1.130 867 N CA -0.327 52.553 53.050 -0.284 0.000 1.026 867 N CB -0.433 37.883 38.487 -0.284 0.000 1.335 867 N HN 0.083 nan 8.380 nan 0.000 0.516 868 F N 1.332 121.271 119.950 -0.019 0.000 2.216 868 F HA -0.069 4.460 4.527 0.004 0.000 0.300 868 F C 2.161 177.936 175.800 -0.042 0.000 1.085 868 F CA 0.625 58.645 58.000 0.033 0.000 1.326 868 F CB -0.445 38.687 39.000 0.220 0.000 1.027 868 F HN 0.427 nan 8.300 nan 0.000 0.497 869 N N 0.442 119.203 118.700 0.102 0.000 2.120 869 N HA -0.116 4.626 4.740 0.004 0.000 0.188 869 N C 2.190 177.644 175.510 -0.093 0.000 1.024 869 N CA 1.550 54.648 53.050 0.080 0.000 0.852 869 N CB -0.638 37.906 38.487 0.095 0.000 1.003 869 N HN 0.192 nan 8.380 nan 0.000 0.424 870 G N -0.133 108.426 108.800 -0.402 0.000 2.418 870 G HA2 -0.179 3.783 3.960 0.004 0.000 0.217 870 G HA3 -0.179 3.783 3.960 0.004 0.000 0.217 870 G C 1.577 176.285 174.900 -0.319 0.000 1.158 870 G CA 1.000 45.571 45.100 -0.881 0.000 0.771 870 G HN 0.239 nan 8.290 nan 0.000 0.545 871 V N 1.101 120.938 119.914 -0.130 0.000 2.332 871 V HA -0.148 3.975 4.120 0.004 0.000 0.248 871 V C 2.905 179.040 176.094 0.068 0.000 1.055 871 V CA 1.492 63.851 62.300 0.098 0.000 1.038 871 V CB -0.417 31.478 31.823 0.120 0.000 0.651 871 V HN 0.347 nan 8.190 nan 0.000 0.450 872 L N -0.458 120.764 121.223 -0.001 0.000 2.141 872 L HA -0.162 4.180 4.340 0.004 0.000 0.209 872 L C 2.534 179.412 176.870 0.014 0.000 1.094 872 L CA 1.454 56.255 54.840 -0.065 0.000 0.763 872 L CB -0.696 41.182 42.059 -0.300 0.000 0.908 872 L HN 0.423 nan 8.230 nan 0.000 0.437 873 E N -0.182 120.068 120.200 0.084 0.000 2.110 873 E HA -0.186 4.166 4.350 0.004 0.000 0.193 873 E C 2.274 179.036 176.600 0.271 0.000 0.988 873 E CA 1.185 57.704 56.400 0.199 0.000 0.804 873 E CB -0.049 29.814 29.700 0.271 0.000 0.745 873 E HN 0.271 nan 8.360 nan 0.000 0.458 874 V N 0.711 120.756 119.914 0.218 0.000 2.379 874 V HA -0.191 3.931 4.120 0.004 0.000 0.245 874 V C 2.281 178.407 176.094 0.054 0.000 1.044 874 V CA 1.111 63.454 62.300 0.072 0.000 1.036 874 V CB -0.147 31.669 31.823 -0.010 0.000 0.664 874 V HN 0.129 nan 8.190 nan 0.000 0.453 875 V N -0.099 119.850 119.914 0.057 0.000 2.343 875 V HA -0.237 3.885 4.120 0.004 0.000 0.247 875 V C 2.555 178.666 176.094 0.029 0.000 1.051 875 V CA 2.310 64.631 62.300 0.034 0.000 1.036 875 V CB -0.692 31.157 31.823 0.044 0.000 0.654 875 V HN 0.552 nan 8.190 nan 0.000 0.451 876 S N 0.252 115.982 115.700 0.051 0.000 2.368 876 S HA -0.166 4.307 4.470 0.004 0.000 0.225 876 S C 2.230 176.885 174.600 0.092 0.000 1.030 876 S CA 1.433 59.668 58.200 0.059 0.000 0.999 876 S CB -0.487 62.760 63.200 0.077 0.000 0.844 876 S HN 0.658 nan 8.310 nan 0.000 0.459 877 A N 1.921 124.827 122.820 0.142 0.000 1.877 877 A HA -0.051 4.271 4.320 0.004 0.000 0.216 877 A C 2.080 179.745 177.584 0.136 0.000 1.186 877 A CA 1.387 53.527 52.037 0.173 0.000 0.620 877 A CB -0.529 18.626 19.000 0.259 0.000 0.822 877 A HN 0.368 nan 8.150 nan 0.000 0.443 878 M N 0.228 119.890 119.600 0.102 0.000 2.358 878 M HA -0.048 4.434 4.480 0.004 0.000 0.264 878 M C 0.939 177.294 176.300 0.093 0.000 1.064 878 M CA 0.948 56.318 55.300 0.116 0.000 1.093 878 M CB -1.298 31.331 32.600 0.049 0.000 1.401 878 M HN 0.389 nan 8.290 nan 0.000 0.440 879 N N 0.605 119.336 118.700 0.051 0.000 2.280 879 N HA 0.034 4.776 4.740 0.004 0.000 0.192 879 N C 0.249 175.767 175.510 0.015 0.000 1.109 879 N CA 0.052 53.120 53.050 0.030 0.000 0.855 879 N CB 0.493 38.916 38.487 -0.106 0.000 0.974 879 N HN 0.322 nan 8.380 nan 0.000 0.482 880 S N -0.582 115.163 115.700 0.075 0.000 2.593 880 S HA 0.187 4.659 4.470 0.004 0.000 0.269 880 S C 1.514 176.182 174.600 0.113 0.000 1.334 880 S CA -0.488 57.753 58.200 0.068 0.000 1.015 880 S CB 1.551 64.810 63.200 0.098 0.000 0.912 880 S HN -0.006 nan 8.310 nan 0.000 0.541 881 S N 2.576 118.328 115.700 0.087 0.000 2.374 881 S HA -0.056 4.416 4.470 0.004 0.000 0.227 881 S C -0.868 173.942 174.600 0.350 0.000 1.037 881 S CA 1.808 60.113 58.200 0.174 0.000 1.024 881 S CB -1.543 61.676 63.200 0.031 0.000 0.861 881 S HN 0.722 nan 8.310 nan 0.000 0.456 882 P HA 0.029 nan 4.420 nan 0.000 0.217 882 P C 1.393 178.763 177.300 0.115 0.000 1.151 882 P CA 0.682 63.895 63.100 0.188 0.000 0.828 882 P CB 0.004 31.760 31.700 0.093 0.000 0.788 883 V N -1.816 118.194 119.914 0.161 0.000 2.500 883 V HA -0.170 3.952 4.120 0.004 0.000 0.243 883 V C 2.257 178.529 176.094 0.296 0.000 1.039 883 V CA 0.963 63.379 62.300 0.192 0.000 1.053 883 V CB -1.326 30.616 31.823 0.200 0.000 0.695 883 V HN -0.024 nan 8.190 nan 0.000 0.463 884 Y N 2.756 123.125 120.300 0.115 0.000 2.139 884 Y HA -0.335 4.217 4.550 0.004 0.000 0.282 884 Y C 2.630 178.564 175.900 0.058 0.000 1.179 884 Y CA 2.440 60.557 58.100 0.028 0.000 1.161 884 Y CB -0.135 38.311 38.460 -0.023 0.000 0.970 884 Y HN 0.323 nan 8.280 nan 0.000 0.511 885 R N 0.313 120.922 120.500 0.181 0.000 2.323 885 R HA 0.059 4.401 4.340 0.004 0.000 0.198 885 R C 0.206 176.532 176.300 0.043 0.000 0.988 885 R CA 0.523 56.674 56.100 0.085 0.000 1.041 885 R CB -0.784 29.608 30.300 0.152 0.000 0.926 885 R HN 0.332 nan 8.270 nan 0.000 0.476 886 L N 2.877 124.161 121.223 0.102 0.000 2.437 886 L HA 0.078 4.420 4.340 0.004 0.000 0.243 886 L C 0.258 177.194 176.870 0.111 0.000 1.346 886 L CA -0.380 54.506 54.840 0.077 0.000 1.233 886 L CB 0.133 42.198 42.059 0.010 0.000 1.436 886 L HN 0.089 nan 8.230 nan 0.000 0.416 887 D N -0.357 120.051 120.400 0.014 0.000 2.133 887 D HA -0.223 4.419 4.640 0.004 0.000 0.195 887 D C 1.857 178.105 176.300 -0.087 0.000 0.997 887 D CA 1.535 55.500 54.000 -0.058 0.000 0.840 887 D CB 0.032 40.715 40.800 -0.195 0.000 0.947 887 D HN 0.499 nan 8.370 nan 0.000 0.452 888 H N 0.317 119.385 119.070 -0.003 0.000 2.421 888 H HA -0.035 4.523 4.556 0.004 0.000 0.298 888 H C 2.024 177.318 175.328 -0.056 0.000 1.087 888 H CA 1.404 57.439 56.048 -0.022 0.000 1.330 888 H CB -0.101 29.646 29.762 -0.025 0.000 1.388 888 H HN 0.164 nan 8.280 nan 0.000 0.526 889 T N 0.592 115.140 114.554 -0.010 0.000 2.770 889 T HA -0.077 4.276 4.350 0.004 0.000 0.258 889 T C 1.806 176.363 174.700 -0.238 0.000 1.039 889 T CA 0.756 62.743 62.100 -0.188 0.000 1.143 889 T CB -0.433 68.201 68.868 -0.390 0.000 0.866 889 T HN 0.132 nan 8.240 nan 0.000 0.428 890 F N 1.656 121.569 119.950 -0.062 0.000 2.365 890 F HA 0.051 4.580 4.527 0.004 0.000 0.300 890 F C 2.384 178.143 175.800 -0.068 0.000 1.090 890 F CA 0.649 58.602 58.000 -0.077 0.000 1.408 890 F CB -0.454 38.476 39.000 -0.115 0.000 1.060 890 F HN 0.173 nan 8.300 nan 0.000 0.534 891 E N 0.660 120.910 120.200 0.083 0.000 2.153 891 E HA -0.207 4.145 4.350 0.004 0.000 0.194 891 E C 1.596 178.211 176.600 0.024 0.000 0.988 891 E CA 1.360 57.781 56.400 0.035 0.000 0.811 891 E CB -0.332 29.371 29.700 0.006 0.000 0.746 891 E HN 0.439 nan 8.360 nan 0.000 0.466 892 Q N -0.314 119.492 119.800 0.009 0.000 2.322 892 Q HA 0.116 4.458 4.340 0.004 0.000 0.203 892 Q C -0.438 175.554 176.000 -0.013 0.000 0.923 892 Q CA -0.289 55.510 55.803 -0.006 0.000 0.949 892 Q CB 0.458 29.186 28.738 -0.017 0.000 1.039 892 Q HN 0.284 nan 8.270 nan 0.000 0.496 893 I N 3.115 123.689 120.570 0.007 0.000 2.365 893 I HA 0.213 4.385 4.170 0.004 0.000 0.291 893 I C -1.941 174.187 176.117 0.017 0.000 1.004 893 I CA -2.712 58.595 61.300 0.012 0.000 1.311 893 I CB 0.820 38.860 38.000 0.068 0.000 1.401 893 I HN -0.057 nan 8.210 nan 0.000 0.491 894 P HA 0.096 nan 4.420 nan 0.000 0.267 894 P C 0.646 177.951 177.300 0.007 0.000 1.200 894 P CA -0.055 63.046 63.100 0.002 0.000 0.772 894 P CB 0.786 32.482 31.700 -0.006 0.000 0.855 895 S N 2.368 118.070 115.700 0.004 0.000 2.365 895 S HA -0.227 4.245 4.470 0.004 0.000 0.225 895 S C 1.885 176.486 174.600 0.002 0.000 1.039 895 S CA 1.886 60.088 58.200 0.003 0.000 1.033 895 S CB -0.662 62.538 63.200 0.000 0.000 0.887 895 S HN 0.647 nan 8.310 nan 0.000 0.447 896 R N 1.531 122.031 120.500 -0.001 0.000 2.119 896 R HA -0.195 4.147 4.340 0.004 0.000 0.246 896 R C 2.055 178.355 176.300 -0.001 0.000 1.146 896 R CA 1.951 58.050 56.100 -0.002 0.000 0.962 896 R CB -0.608 29.688 30.300 -0.006 0.000 0.863 896 R HN 0.456 nan 8.270 nan 0.000 0.442 897 Q N 0.575 120.376 119.800 0.001 0.000 2.137 897 Q HA -0.015 4.327 4.340 0.004 0.000 0.198 897 Q C 2.026 178.036 176.000 0.016 0.000 0.960 897 Q CA 1.257 57.062 55.803 0.005 0.000 0.847 897 Q CB 0.040 28.780 28.738 0.002 0.000 0.915 897 Q HN 0.442 nan 8.270 nan 0.000 0.448 898 K N 1.138 121.550 120.400 0.021 0.000 2.097 898 K HA -0.169 4.153 4.320 0.004 0.000 0.206 898 K C 2.077 178.679 176.600 0.003 0.000 1.049 898 K CA 1.072 57.368 56.287 0.016 0.000 0.933 898 K CB -0.040 32.467 32.500 0.010 0.000 0.717 898 K HN 0.034 nan 8.250 nan 0.000 0.442 899 K N 1.299 121.702 120.400 0.005 0.000 2.057 899 K HA -0.098 4.225 4.320 0.004 0.000 0.206 899 K C 2.032 178.639 176.600 0.012 0.000 1.050 899 K CA 1.041 57.332 56.287 0.005 0.000 0.935 899 K CB -0.018 32.484 32.500 0.004 0.000 0.715 899 K HN 0.035 nan 8.250 nan 0.000 0.439 900 I N 1.110 121.687 120.570 0.011 0.000 2.163 900 I HA -0.296 3.877 4.170 0.004 0.000 0.243 900 I C 2.336 178.468 176.117 0.025 0.000 1.085 900 I CA 0.753 62.062 61.300 0.016 0.000 1.347 900 I CB -0.243 37.761 38.000 0.007 0.000 1.044 900 I HN 0.249 nan 8.210 nan 0.000 0.408 901 L N 1.038 122.273 121.223 0.020 0.000 2.083 901 L HA -0.214 4.128 4.340 0.004 0.000 0.209 901 L C 2.352 179.245 176.870 0.039 0.000 1.083 901 L CA 1.940 56.792 54.840 0.022 0.000 0.752 901 L CB -0.717 41.344 42.059 0.004 0.000 0.899 901 L HN 0.182 nan 8.230 nan 0.000 0.433 902 E N 0.200 120.418 120.200 0.030 0.000 2.028 902 E HA -0.226 4.126 4.350 0.004 0.000 0.191 902 E C 2.028 178.663 176.600 0.058 0.000 0.988 902 E CA 1.881 58.313 56.400 0.054 0.000 0.799 902 E CB -0.256 29.458 29.700 0.023 0.000 0.755 902 E HN 0.635 nan 8.360 nan 0.000 0.447 903 E N 0.020 120.242 120.200 0.037 0.000 2.110 903 E HA -0.190 4.162 4.350 0.004 0.000 0.193 903 E C 2.045 178.672 176.600 0.045 0.000 0.988 903 E CA 0.987 57.405 56.400 0.030 0.000 0.804 903 E CB -0.247 29.472 29.700 0.031 0.000 0.745 903 E HN 0.392 nan 8.360 nan 0.000 0.458 904 A N 1.271 124.130 122.820 0.066 0.000 1.877 904 A HA -0.247 4.075 4.320 0.004 0.000 0.216 904 A C 2.017 179.650 177.584 0.082 0.000 1.186 904 A CA 1.976 54.064 52.037 0.085 0.000 0.620 904 A CB -0.779 18.272 19.000 0.084 0.000 0.822 904 A HN 0.314 nan 8.150 nan 0.000 0.443 905 H N 0.120 119.176 119.070 -0.023 0.000 2.387 905 H HA -0.063 4.496 4.556 0.004 0.000 0.299 905 H C 1.767 177.048 175.328 -0.077 0.000 1.090 905 H CA 1.971 57.985 56.048 -0.057 0.000 1.332 905 H CB -0.282 29.445 29.762 -0.059 0.000 1.386 905 H HN 0.615 nan 8.280 nan 0.000 0.516 906 E N -0.125 119.954 120.200 -0.202 0.000 2.265 906 E HA -0.118 4.234 4.350 0.004 0.000 0.196 906 E C 2.230 178.717 176.600 -0.189 0.000 0.996 906 E CA 0.740 56.989 56.400 -0.250 0.000 0.832 906 E CB -0.027 29.605 29.700 -0.113 0.000 0.756 906 E HN 0.505 nan 8.360 nan 0.000 0.491 907 L N 0.545 121.710 121.223 -0.096 0.000 2.079 907 L HA -0.189 4.153 4.340 0.004 0.000 0.210 907 L C 2.477 179.279 176.870 -0.113 0.000 1.081 907 L CA 1.425 56.264 54.840 -0.003 0.000 0.752 907 L CB -0.392 41.744 42.059 0.127 0.000 0.896 907 L HN 0.197 nan 8.230 nan 0.000 0.433 908 S N -2.147 113.336 115.700 -0.361 0.000 2.528 908 S HA 0.049 4.522 4.470 0.004 0.000 0.219 908 S C 0.683 174.849 174.600 -0.723 0.000 0.985 908 S CA -0.362 57.307 58.200 -0.885 0.000 0.914 908 S CB -0.181 62.472 63.200 -0.911 0.000 0.776 908 S HN 0.350 nan 8.310 nan 0.000 0.526 909 E N 1.706 121.621 120.200 -0.475 0.000 2.408 909 E HA 0.107 4.460 4.350 0.004 0.000 0.259 909 E C -0.303 176.136 176.600 -0.269 0.000 1.110 909 E CA 0.011 56.185 56.400 -0.377 0.000 0.929 909 E CB 0.147 29.647 29.700 -0.333 0.000 0.971 909 E HN 0.190 nan 8.360 nan 0.000 0.438 910 D N 1.835 122.090 120.400 -0.241 0.000 2.697 910 D HA -0.256 4.387 4.640 0.004 0.000 0.235 910 D C -0.895 175.390 176.300 -0.026 0.000 1.167 910 D CA 0.934 54.857 54.000 -0.128 0.000 0.656 910 D CB -1.371 39.411 40.800 -0.030 0.000 1.025 910 D HN 0.676 nan 8.370 nan 0.000 0.419 911 H N -0.868 118.168 119.070 -0.057 0.000 2.756 911 H HA -0.267 4.291 4.556 0.004 0.000 0.315 911 H C 0.472 175.899 175.328 0.166 0.000 1.210 911 H CA 1.182 57.260 56.048 0.050 0.000 1.150 911 H CB -2.013 27.795 29.762 0.076 0.000 1.463 911 H HN 0.549 nan 8.280 nan 0.000 0.427 912 Y N -2.008 118.314 120.300 0.035 0.000 4.079 912 Y HA -0.347 4.205 4.550 0.004 0.000 0.223 912 Y C 1.952 177.912 175.900 0.099 0.000 1.155 912 Y CA 1.604 59.746 58.100 0.069 0.000 1.805 912 Y CB -1.405 37.120 38.460 0.110 0.000 1.571 912 Y HN 0.490 nan 8.280 nan 0.000 0.654 913 K N 0.579 121.064 120.400 0.142 0.000 2.009 913 K HA -0.239 4.083 4.320 0.004 0.000 0.210 913 K C 1.955 178.592 176.600 0.061 0.000 1.049 913 K CA 1.778 58.120 56.287 0.093 0.000 0.929 913 K CB 0.011 32.542 32.500 0.052 0.000 0.714 913 K HN 0.166 nan 8.250 nan 0.000 0.440 914 K N 0.073 120.500 120.400 0.045 0.000 2.026 914 K HA -0.206 4.116 4.320 0.004 0.000 0.208 914 K C 2.151 178.770 176.600 0.030 0.000 1.048 914 K CA 1.551 57.855 56.287 0.028 0.000 0.929 914 K CB -0.800 31.710 32.500 0.018 0.000 0.713 914 K HN 0.338 nan 8.250 nan 0.000 0.439 915 Y N 2.096 122.383 120.300 -0.022 0.000 2.114 915 Y HA -0.218 4.335 4.550 0.004 0.000 0.282 915 Y C 2.088 177.882 175.900 -0.178 0.000 1.165 915 Y CA 1.484 59.532 58.100 -0.086 0.000 1.148 915 Y CB -0.547 37.943 38.460 0.050 0.000 0.972 915 Y HN -0.064 nan 8.280 nan 0.000 0.504 916 L N -0.146 120.936 121.223 -0.236 0.000 2.079 916 L HA -0.236 4.106 4.340 0.004 0.000 0.210 916 L C 2.806 179.504 176.870 -0.287 0.000 1.081 916 L CA 1.204 55.848 54.840 -0.325 0.000 0.752 916 L CB -0.978 41.049 42.059 -0.054 0.000 0.896 916 L HN 0.404 nan 8.230 nan 0.000 0.433 917 A N -0.014 122.703 122.820 -0.171 0.000 1.873 917 A HA -0.224 4.099 4.320 0.004 0.000 0.215 917 A C 2.296 179.789 177.584 -0.151 0.000 1.186 917 A CA 1.789 53.756 52.037 -0.116 0.000 0.616 917 A CB -0.365 18.602 19.000 -0.055 0.000 0.823 917 A HN 0.207 nan 8.150 nan 0.000 0.442 918 K N -0.183 120.098 120.400 -0.198 0.000 2.009 918 K HA -0.134 4.188 4.320 0.004 0.000 0.210 918 K C 1.755 178.198 176.600 -0.262 0.000 1.049 918 K CA 1.713 57.902 56.287 -0.163 0.000 0.929 918 K CB -0.739 31.692 32.500 -0.115 0.000 0.714 918 K HN 0.299 nan 8.250 nan 0.000 0.440 919 L N 1.134 121.967 121.223 -0.650 0.000 2.079 919 L HA -0.112 4.231 4.340 0.004 0.000 0.210 919 L C 1.983 178.716 176.870 -0.229 0.000 1.081 919 L CA 1.760 56.203 54.840 -0.663 0.000 0.752 919 L CB -0.331 41.097 42.059 -1.051 0.000 0.896 919 L HN 0.161 nan 8.230 nan 0.000 0.433 920 R N -1.140 119.261 120.500 -0.165 0.000 2.235 920 R HA -0.042 4.301 4.340 0.004 0.000 0.213 920 R C 2.161 178.465 176.300 0.006 0.000 1.059 920 R CA 1.126 57.210 56.100 -0.026 0.000 0.997 920 R CB -0.201 30.076 30.300 -0.039 0.000 0.884 920 R HN 0.641 nan 8.270 nan 0.000 0.462 921 S N 0.110 115.804 115.700 -0.010 0.000 2.502 921 S HA 0.052 4.524 4.470 0.004 0.000 0.215 921 S C 0.861 175.490 174.600 0.049 0.000 1.009 921 S CA -0.543 57.669 58.200 0.020 0.000 0.908 921 S CB -0.228 62.978 63.200 0.010 0.000 0.801 921 S HN 0.174 nan 8.310 nan 0.000 0.505 922 I N 1.243 121.859 120.570 0.075 0.000 3.004 922 I HA 0.484 4.656 4.170 0.004 0.000 0.287 922 I C -0.076 176.096 176.117 0.093 0.000 1.144 922 I CA -0.782 60.579 61.300 0.102 0.000 1.353 922 I CB -0.160 37.943 38.000 0.171 0.000 1.417 922 I HN 0.014 nan 8.210 nan 0.000 0.602 923 N N 3.629 122.373 118.700 0.073 0.000 2.457 923 N HA 0.488 5.230 4.740 0.004 0.000 0.250 923 N C -2.501 173.040 175.510 0.052 0.000 0.982 923 N CA -1.974 51.111 53.050 0.060 0.000 0.941 923 N CB 0.652 39.163 38.487 0.040 0.000 1.120 923 N HN 0.527 nan 8.380 nan 0.000 0.505 924 P HA 0.194 nan 4.420 nan 0.000 0.272 924 P C -2.542 174.728 177.300 -0.049 0.000 1.254 924 P CA -0.818 62.299 63.100 0.029 0.000 0.795 924 P CB -0.498 31.275 31.700 0.122 0.000 1.022 925 P HA 0.012 nan 4.420 nan 0.000 0.269 925 P C -0.275 176.835 177.300 -0.317 0.000 1.217 925 P CA 0.203 63.072 63.100 -0.385 0.000 0.783 925 P CB 0.247 31.384 31.700 -0.938 0.000 0.898 926 C N -1.177 118.018 119.300 -0.175 0.000 3.321 926 C HA 0.654 5.117 4.460 0.004 0.000 0.329 926 C C -0.906 174.108 174.990 0.040 0.000 1.394 926 C CA -0.739 58.290 59.018 0.019 0.000 1.291 926 C CB 1.096 28.848 27.740 0.021 0.000 1.606 926 C HN 0.329 nan 8.230 nan 0.000 0.463 927 V N 2.920 122.852 119.914 0.030 0.000 2.380 927 V HA 0.461 4.584 4.120 0.004 0.000 0.272 927 V C -2.025 174.011 176.094 -0.097 0.000 1.011 927 V CA -0.819 61.411 62.300 -0.117 0.000 0.826 927 V CB 1.237 33.054 31.823 -0.008 0.000 1.040 927 V HN 0.888 nan 8.190 nan 0.000 0.441 928 P HA 0.114 nan 4.420 nan 0.000 0.273 928 P C -0.639 176.698 177.300 0.062 0.000 1.250 928 P CA -0.319 62.737 63.100 -0.073 0.000 0.793 928 P CB 0.903 32.445 31.700 -0.263 0.000 1.011 929 F N 1.212 121.130 119.950 -0.052 0.000 2.404 929 F HA 0.248 4.777 4.527 0.004 0.000 0.358 929 F C 0.775 176.487 175.800 -0.146 0.000 1.120 929 F CA -1.017 56.892 58.000 -0.150 0.000 1.144 929 F CB -0.161 38.558 39.000 -0.468 0.000 1.133 929 F HN 0.116 nan 8.300 nan 0.000 0.495 930 F N 4.240 123.863 119.950 -0.544 0.000 2.293 930 F HA 0.041 4.570 4.527 0.004 0.000 0.300 930 F C 2.259 177.556 175.800 -0.838 0.000 1.086 930 F CA 1.695 59.447 58.000 -0.414 0.000 1.375 930 F CB -0.567 38.333 39.000 -0.167 0.000 1.045 930 F HN 0.659 nan 8.300 nan 0.000 0.516 931 G N 0.809 108.668 108.800 -1.569 0.000 2.513 931 G HA2 -0.311 3.651 3.960 0.004 0.000 0.219 931 G HA3 -0.311 3.651 3.960 0.004 0.000 0.219 931 G C 1.735 176.293 174.900 -0.570 0.000 1.160 931 G CA 1.191 45.628 45.100 -1.106 0.000 0.767 931 G HN 0.257 nan 8.290 nan 0.000 0.571 932 I N 0.130 120.274 120.570 -0.710 0.000 2.208 932 I HA -0.148 4.024 4.170 0.004 0.000 0.245 932 I C 2.578 178.535 176.117 -0.267 0.000 1.097 932 I CA 0.876 61.910 61.300 -0.442 0.000 1.363 932 I CB -1.248 36.428 38.000 -0.540 0.000 1.051 932 I HN 0.196 nan 8.210 nan 0.000 0.413 933 Y N 0.704 120.888 120.300 -0.194 0.000 2.200 933 Y HA -0.134 4.418 4.550 0.004 0.000 0.290 933 Y C 2.587 178.437 175.900 -0.085 0.000 1.137 933 Y CA 0.769 58.785 58.100 -0.140 0.000 1.163 933 Y CB -1.067 37.242 38.460 -0.253 0.000 0.988 933 Y HN 0.071 nan 8.280 nan 0.000 0.518 934 L N -1.025 120.216 121.223 0.030 0.000 2.017 934 L HA -0.239 4.103 4.340 0.004 0.000 0.208 934 L C 2.303 179.311 176.870 0.230 0.000 1.073 934 L CA 1.896 56.707 54.840 -0.050 0.000 0.745 934 L CB -1.168 40.779 42.059 -0.187 0.000 0.894 934 L HN 0.177 nan 8.230 nan 0.000 0.432 935 T N -0.352 114.288 114.554 0.144 0.000 2.720 935 T HA -0.142 4.210 4.350 0.004 0.000 0.268 935 T C 1.738 176.526 174.700 0.146 0.000 1.037 935 T CA 1.451 63.646 62.100 0.159 0.000 1.144 935 T CB -0.240 68.694 68.868 0.110 0.000 0.864 935 T HN 0.298 nan 8.240 nan 0.000 0.444 936 N N 0.972 119.745 118.700 0.121 0.000 2.171 936 N HA 0.093 4.836 4.740 0.004 0.000 0.184 936 N C 1.921 177.507 175.510 0.127 0.000 1.021 936 N CA 0.762 53.877 53.050 0.108 0.000 0.854 936 N CB -0.377 38.171 38.487 0.101 0.000 0.994 936 N HN 0.366 nan 8.380 nan 0.000 0.426 937 I N 0.558 121.232 120.570 0.173 0.000 2.208 937 I HA -0.251 3.921 4.170 0.004 0.000 0.245 937 I C 2.158 178.403 176.117 0.215 0.000 1.097 937 I CA 0.717 62.135 61.300 0.197 0.000 1.363 937 I CB -0.119 38.041 38.000 0.266 0.000 1.051 937 I HN 0.070 nan 8.210 nan 0.000 0.413 938 L N 0.995 122.387 121.223 0.282 0.000 2.017 938 L HA -0.204 4.139 4.340 0.004 0.000 0.208 938 L C 2.395 179.313 176.870 0.081 0.000 1.073 938 L CA 1.923 56.862 54.840 0.165 0.000 0.745 938 L CB -0.625 41.544 42.059 0.183 0.000 0.894 938 L HN 0.060 nan 8.230 nan 0.000 0.432 939 K N -1.450 119.001 120.400 0.086 0.000 2.097 939 K HA -0.139 4.184 4.320 0.004 0.000 0.206 939 K C 1.828 178.448 176.600 0.033 0.000 1.049 939 K CA 1.809 58.126 56.287 0.049 0.000 0.933 939 K CB -0.299 32.231 32.500 0.049 0.000 0.717 939 K HN 0.397 nan 8.250 nan 0.000 0.442 940 T N 1.236 115.816 114.554 0.043 0.000 2.867 940 T HA -0.083 4.270 4.350 0.004 0.000 0.268 940 T C 1.497 176.202 174.700 0.009 0.000 1.057 940 T CA 1.021 63.134 62.100 0.021 0.000 1.136 940 T CB 0.003 68.884 68.868 0.023 0.000 0.874 940 T HN 0.240 nan 8.240 nan 0.000 0.466 941 E N 1.152 121.363 120.200 0.018 0.000 2.158 941 E HA -0.025 4.327 4.350 0.004 0.000 0.191 941 E C 1.876 178.467 176.600 -0.014 0.000 0.982 941 E CA 0.728 57.127 56.400 -0.002 0.000 0.823 941 E CB 0.001 29.699 29.700 -0.004 0.000 0.766 941 E HN 0.611 nan 8.360 nan 0.000 0.468 942 E N -0.201 119.993 120.200 -0.010 0.000 2.474 942 E HA 0.042 4.395 4.350 0.004 0.000 0.194 942 E C 1.304 177.897 176.600 -0.011 0.000 1.041 942 E CA 0.151 56.541 56.400 -0.016 0.000 0.874 942 E CB 0.550 30.239 29.700 -0.017 0.000 0.914 942 E HN 0.117 nan 8.360 nan 0.000 0.498 943 G N 0.580 109.376 108.800 -0.007 0.000 3.519 943 G HA2 0.077 4.040 3.960 0.004 0.000 0.269 943 G HA3 0.077 4.040 3.960 0.004 0.000 0.269 943 G C 0.095 174.988 174.900 -0.013 0.000 1.028 943 G CA -0.271 44.824 45.100 -0.008 0.000 0.809 943 G HN -0.041 nan 8.290 nan 0.000 0.521 944 N N 1.382 120.072 118.700 -0.016 0.000 2.310 944 N HA 0.315 5.057 4.740 0.004 0.000 0.292 944 N C -3.131 172.366 175.510 -0.022 0.000 1.049 944 N CA -0.887 52.151 53.050 -0.021 0.000 0.849 944 N CB 3.288 41.759 38.487 -0.027 0.000 1.532 944 N HN -0.053 nan 8.380 nan 0.000 0.479 945 P HA 0.126 nan 4.420 nan 0.000 0.271 945 P C 0.289 177.575 177.300 -0.023 0.000 1.218 945 P CA -0.026 63.061 63.100 -0.022 0.000 0.780 945 P CB 1.631 33.318 31.700 -0.022 0.000 0.901 946 E N 0.405 120.594 120.200 -0.017 0.000 2.208 946 E HA 0.007 4.359 4.350 0.004 0.000 0.193 946 E C 0.838 177.425 176.600 -0.022 0.000 0.988 946 E CA 1.037 57.430 56.400 -0.011 0.000 0.828 946 E CB 0.058 29.761 29.700 0.004 0.000 0.763 946 E HN 0.428 nan 8.360 nan 0.000 0.478 947 V N -1.937 117.963 119.914 -0.024 0.000 3.040 947 V HA 0.567 4.689 4.120 0.004 0.000 0.312 947 V C -0.639 175.435 176.094 -0.033 0.000 1.115 947 V CA -1.092 61.188 62.300 -0.032 0.000 0.998 947 V CB 2.228 34.037 31.823 -0.023 0.000 1.042 947 V HN -0.101 nan 8.190 nan 0.000 0.433 948 L N 2.226 123.426 121.223 -0.039 0.000 2.356 948 L HA 0.616 4.958 4.340 0.004 0.000 0.277 948 L C -0.239 176.606 176.870 -0.042 0.000 0.996 948 L CA -0.661 54.155 54.840 -0.040 0.000 0.822 948 L CB 2.024 44.057 42.059 -0.042 0.000 1.256 948 L HN 0.704 nan 8.230 nan 0.000 0.413 949 K N 4.029 124.404 120.400 -0.042 0.000 2.172 949 K HA 0.564 4.886 4.320 0.004 0.000 0.276 949 K C -0.709 175.847 176.600 -0.074 0.000 1.013 949 K CA -0.736 55.525 56.287 -0.044 0.000 0.913 949 K CB 1.171 33.650 32.500 -0.035 0.000 1.055 949 K HN 0.325 nan 8.250 nan 0.000 0.461 950 R N 2.353 122.807 120.500 -0.077 0.000 2.518 950 R HA 0.172 4.514 4.340 0.004 0.000 0.296 950 R C -0.875 175.366 176.300 -0.097 0.000 1.080 950 R CA -0.671 55.327 56.100 -0.170 0.000 0.922 950 R CB 1.026 31.252 30.300 -0.123 0.000 1.184 950 R HN 0.821 nan 8.270 nan 0.000 0.445 951 H N 1.236 120.303 119.070 -0.005 0.000 2.791 951 H HA -0.238 4.320 4.556 0.004 0.000 0.302 951 H C 1.142 176.467 175.328 -0.005 0.000 1.198 951 H CA 1.490 57.536 56.048 -0.004 0.000 1.145 951 H CB -1.154 28.607 29.762 -0.003 0.000 1.385 951 H HN 1.124 nan 8.280 nan 0.000 0.409 952 G N -0.864 107.968 108.800 0.054 0.000 2.498 952 G HA2 -0.355 3.607 3.960 0.004 0.000 0.229 952 G HA3 -0.355 3.607 3.960 0.004 0.000 0.229 952 G C 0.446 175.361 174.900 0.025 0.000 1.156 952 G CA 0.369 45.490 45.100 0.035 0.000 0.680 952 G HN 0.350 nan 8.290 nan 0.000 0.512 953 K N 2.066 122.490 120.400 0.039 0.000 2.485 953 K HA 0.261 4.583 4.320 0.004 0.000 0.277 953 K C 0.180 176.782 176.600 0.003 0.000 0.990 953 K CA 0.386 56.687 56.287 0.023 0.000 0.994 953 K CB 0.516 33.037 32.500 0.035 0.000 0.906 953 K HN 0.644 nan 8.250 nan 0.000 0.488 954 E N 2.912 123.110 120.200 -0.003 0.000 2.073 954 E HA 0.224 4.577 4.350 0.004 0.000 0.269 954 E C -0.334 176.252 176.600 -0.024 0.000 0.917 954 E CA -0.358 56.034 56.400 -0.013 0.000 0.757 954 E CB 0.802 30.498 29.700 -0.007 0.000 1.111 954 E HN 0.279 nan 8.360 nan 0.000 0.410 955 L N 3.176 124.377 121.223 -0.037 0.000 2.379 955 L HA 0.396 4.739 4.340 0.004 0.000 0.269 955 L C 0.240 177.062 176.870 -0.081 0.000 1.084 955 L CA -1.132 53.673 54.840 -0.059 0.000 0.802 955 L CB 0.753 42.775 42.059 -0.062 0.000 1.175 955 L HN 0.365 nan 8.230 nan 0.000 0.448 956 I N 2.030 122.520 120.570 -0.133 0.000 2.471 956 I HA -0.008 4.164 4.170 0.004 0.000 0.286 956 I C 0.417 176.450 176.117 -0.140 0.000 1.079 956 I CA 0.022 61.196 61.300 -0.209 0.000 1.398 956 I CB 0.182 37.885 38.000 -0.496 0.000 1.403 956 I HN 0.565 nan 8.210 nan 0.000 0.530 957 N N 5.752 124.393 118.700 -0.097 0.000 2.549 957 N HA -0.038 4.704 4.740 0.004 0.000 0.267 957 N C 0.529 176.017 175.510 -0.037 0.000 1.182 957 N CA 0.081 53.099 53.050 -0.053 0.000 1.019 957 N CB -0.178 38.280 38.487 -0.048 0.000 1.380 957 N HN 0.417 nan 8.380 nan 0.000 0.505 958 F N 2.347 122.186 119.950 -0.184 0.000 2.456 958 F HA -0.045 4.484 4.527 0.004 0.000 0.298 958 F C 2.316 178.042 175.800 -0.124 0.000 1.104 958 F CA 0.926 58.816 58.000 -0.183 0.000 1.435 958 F CB -0.127 38.763 39.000 -0.183 0.000 1.078 958 F HN 0.543 nan 8.300 nan 0.000 0.546 959 S N -0.502 115.144 115.700 -0.091 0.000 2.423 959 S HA -0.224 4.248 4.470 0.004 0.000 0.231 959 S C 2.165 176.658 174.600 -0.178 0.000 1.014 959 S CA 1.132 59.252 58.200 -0.134 0.000 0.965 959 S CB -0.638 62.533 63.200 -0.048 0.000 0.785 959 S HN 0.522 nan 8.310 nan 0.000 0.495 960 K N 0.823 121.132 120.400 -0.152 0.000 2.097 960 K HA -0.012 4.310 4.320 0.004 0.000 0.205 960 K C 2.258 178.748 176.600 -0.184 0.000 1.050 960 K CA 0.887 57.098 56.287 -0.126 0.000 0.938 960 K CB -0.051 32.400 32.500 -0.082 0.000 0.718 960 K HN 0.195 nan 8.250 nan 0.000 0.442 961 R N 0.331 120.647 120.500 -0.307 0.000 2.090 961 R HA 0.014 4.356 4.340 0.004 0.000 0.228 961 R C 2.248 178.272 176.300 -0.461 0.000 1.110 961 R CA 1.166 57.034 56.100 -0.387 0.000 0.973 961 R CB -0.290 29.698 30.300 -0.520 0.000 0.869 961 R HN 0.183 nan 8.270 nan 0.000 0.440 962 R N 0.797 120.946 120.500 -0.585 0.000 2.148 962 R HA -0.069 4.274 4.340 0.004 0.000 0.227 962 R C 1.384 177.552 176.300 -0.219 0.000 1.103 962 R CA 1.430 57.279 56.100 -0.419 0.000 0.983 962 R CB 0.081 30.170 30.300 -0.353 0.000 0.874 962 R HN 0.097 nan 8.270 nan 0.000 0.451 963 K N -0.496 119.796 120.400 -0.179 0.000 2.103 963 K HA -0.030 4.292 4.320 0.004 0.000 0.204 963 K C 1.896 178.450 176.600 -0.077 0.000 1.052 963 K CA 1.158 57.385 56.287 -0.101 0.000 0.945 963 K CB 0.207 32.662 32.500 -0.075 0.000 0.722 963 K HN 0.022 nan 8.250 nan 0.000 0.443 964 V N 1.135 120.996 119.914 -0.088 0.000 2.379 964 V HA -0.164 3.958 4.120 0.004 0.000 0.245 964 V C 2.225 178.283 176.094 -0.060 0.000 1.044 964 V CA 1.911 64.182 62.300 -0.048 0.000 1.036 964 V CB -0.416 31.384 31.823 -0.037 0.000 0.664 964 V HN 0.308 nan 8.190 nan 0.000 0.453 965 A N -0.508 122.256 122.820 -0.094 0.000 2.015 965 A HA -0.205 4.117 4.320 0.004 0.000 0.219 965 A C 2.147 179.686 177.584 -0.075 0.000 1.163 965 A CA 1.675 53.664 52.037 -0.079 0.000 0.646 965 A CB -0.395 18.543 19.000 -0.102 0.000 0.806 965 A HN 0.572 nan 8.150 nan 0.000 0.448 966 E N -0.247 119.905 120.200 -0.080 0.000 2.106 966 E HA -0.096 4.256 4.350 0.004 0.000 0.192 966 E C 1.707 178.264 176.600 -0.072 0.000 0.984 966 E CA 1.141 57.501 56.400 -0.066 0.000 0.806 966 E CB -0.166 29.502 29.700 -0.055 0.000 0.750 966 E HN 0.725 nan 8.360 nan 0.000 0.458 967 I N 0.212 120.740 120.570 -0.070 0.000 2.333 967 I HA -0.199 3.974 4.170 0.004 0.000 0.246 967 I C 2.488 178.481 176.117 -0.206 0.000 1.106 967 I CA 1.414 62.653 61.300 -0.101 0.000 1.411 967 I CB -0.458 37.522 38.000 -0.034 0.000 1.082 967 I HN 0.218 nan 8.210 nan 0.000 0.420 968 T N -1.249 113.221 114.554 -0.139 0.000 2.915 968 T HA -0.046 4.306 4.350 0.004 0.000 0.269 968 T C 1.973 176.582 174.700 -0.152 0.000 1.071 968 T CA 1.038 63.051 62.100 -0.146 0.000 1.132 968 T CB -0.932 67.901 68.868 -0.058 0.000 0.878 968 T HN 0.415 nan 8.240 nan 0.000 0.479 969 G N 1.015 109.743 108.800 -0.120 0.000 2.402 969 G HA2 -0.150 3.812 3.960 0.004 0.000 0.216 969 G HA3 -0.150 3.812 3.960 0.004 0.000 0.216 969 G C 1.437 176.242 174.900 -0.158 0.000 1.162 969 G CA 0.732 45.768 45.100 -0.107 0.000 0.777 969 G HN 0.626 nan 8.290 nan 0.000 0.539 970 E N 0.078 120.165 120.200 -0.189 0.000 2.077 970 E HA -0.104 4.249 4.350 0.004 0.000 0.193 970 E C 2.492 178.938 176.600 -0.258 0.000 0.989 970 E CA 0.712 56.982 56.400 -0.217 0.000 0.800 970 E CB -0.181 29.441 29.700 -0.129 0.000 0.746 970 E HN 0.505 nan 8.360 nan 0.000 0.452 971 I N 0.895 121.225 120.570 -0.400 0.000 2.163 971 I HA -0.325 3.848 4.170 0.004 0.000 0.243 971 I C 2.607 178.661 176.117 -0.106 0.000 1.085 971 I CA 1.369 62.445 61.300 -0.374 0.000 1.347 971 I CB -0.289 37.355 38.000 -0.593 0.000 1.044 971 I HN 0.220 nan 8.210 nan 0.000 0.408 972 Q N -0.044 119.668 119.800 -0.146 0.000 2.167 972 Q HA -0.244 4.098 4.340 0.004 0.000 0.202 972 Q C 2.242 178.204 176.000 -0.063 0.000 0.970 972 Q CA 1.042 56.789 55.803 -0.094 0.000 0.855 972 Q CB -0.220 28.461 28.738 -0.094 0.000 0.911 972 Q HN 0.471 nan 8.270 nan 0.000 0.438 973 Q N 0.260 119.974 119.800 -0.143 0.000 2.135 973 Q HA -0.183 4.159 4.340 0.004 0.000 0.204 973 Q C 0.989 176.890 176.000 -0.165 0.000 0.981 973 Q CA 1.499 57.176 55.803 -0.210 0.000 0.856 973 Q CB 0.023 28.539 28.738 -0.370 0.000 0.902 973 Q HN 0.493 nan 8.270 nan 0.000 0.425 974 Y N 0.345 120.698 120.300 0.088 0.000 2.529 974 Y HA 0.073 4.625 4.550 0.004 0.000 0.290 974 Y C 1.773 177.836 175.900 0.272 0.000 1.177 974 Y CA 0.426 58.613 58.100 0.144 0.000 1.305 974 Y CB 0.279 38.813 38.460 0.125 0.000 1.047 974 Y HN 0.214 nan 8.280 nan 0.000 0.522 975 Q N -0.756 119.242 119.800 0.331 0.000 2.384 975 Q HA -0.007 4.336 4.340 0.004 0.000 0.207 975 Q C 1.333 177.425 176.000 0.154 0.000 0.904 975 Q CA 0.072 56.031 55.803 0.261 0.000 0.933 975 Q CB 0.247 29.021 28.738 0.060 0.000 1.077 975 Q HN 0.462 nan 8.270 nan 0.000 0.522 976 N N 1.178 119.944 118.700 0.110 0.000 2.173 976 N HA -0.080 4.662 4.740 0.004 0.000 0.184 976 N C 0.065 175.625 175.510 0.084 0.000 1.025 976 N CA 0.815 53.913 53.050 0.079 0.000 0.852 976 N CB 0.034 38.547 38.487 0.042 0.000 0.998 976 N HN 0.244 nan 8.380 nan 0.000 0.427 977 Q N 2.413 122.259 119.800 0.076 0.000 2.286 977 Q HA 0.221 4.563 4.340 0.004 0.000 0.265 977 Q C -2.165 173.856 176.000 0.036 0.000 1.080 977 Q CA -0.916 54.914 55.803 0.045 0.000 0.906 977 Q CB 0.472 29.222 28.738 0.020 0.000 1.227 977 Q HN 0.309 nan 8.270 nan 0.000 0.409 978 P HA 0.096 nan 4.420 nan 0.000 0.284 978 P C -1.192 176.252 177.300 0.240 0.000 1.258 978 P CA -0.579 62.629 63.100 0.180 0.000 0.824 978 P CB 0.756 32.565 31.700 0.182 0.000 1.038 979 Y N 0.204 120.651 120.300 0.244 0.000 2.335 979 Y HA 0.113 4.666 4.550 0.004 0.000 0.331 979 Y C 1.244 177.154 175.900 0.017 0.000 1.094 979 Y CA 0.043 58.215 58.100 0.121 0.000 1.253 979 Y CB 0.545 39.041 38.460 0.060 0.000 1.203 979 Y HN 0.389 nan 8.280 nan 0.000 0.508 980 C N 7.737 126.914 119.300 -0.205 0.000 2.484 980 C HA 0.541 5.003 4.460 0.004 0.000 0.494 980 C C -0.616 174.183 174.990 -0.319 0.000 1.052 980 C CA -0.660 57.845 59.018 -0.856 0.000 1.307 980 C CB -2.803 24.179 27.740 -1.264 0.000 1.464 980 C HN 0.640 nan 8.230 nan 0.000 0.564 981 L N 3.725 124.881 121.223 -0.111 0.000 2.401 981 L HA 0.564 4.907 4.340 0.004 0.000 0.266 981 L C 0.009 176.869 176.870 -0.018 0.000 0.991 981 L CA -0.707 54.096 54.840 -0.061 0.000 0.818 981 L CB 1.667 43.701 42.059 -0.042 0.000 1.321 981 L HN 0.368 nan 8.230 nan 0.000 0.413 982 R N 1.611 122.096 120.500 -0.024 0.000 2.308 982 R HA 0.481 4.823 4.340 0.004 0.000 0.305 982 R C -0.902 175.409 176.300 0.018 0.000 1.053 982 R CA -0.528 55.581 56.100 0.014 0.000 0.957 982 R CB 1.261 31.569 30.300 0.014 0.000 1.022 982 R HN 0.419 nan 8.270 nan 0.000 0.461 983 V N 3.867 123.809 119.914 0.048 0.000 2.715 983 V HA 0.056 4.179 4.120 0.004 0.000 0.299 983 V C 0.409 176.545 176.094 0.069 0.000 1.054 983 V CA 0.168 62.502 62.300 0.056 0.000 1.077 983 V CB 1.321 33.188 31.823 0.074 0.000 0.972 983 V HN 0.727 nan 8.190 nan 0.000 0.484 984 E N 2.816 123.062 120.200 0.077 0.000 2.183 984 E HA 0.286 4.638 4.350 0.004 0.000 0.250 984 E C 0.937 177.637 176.600 0.166 0.000 0.901 984 E CA -0.146 56.328 56.400 0.122 0.000 0.741 984 E CB 1.461 31.199 29.700 0.063 0.000 1.182 984 E HN 0.722 nan 8.360 nan 0.000 0.425 985 S N 3.145 118.939 115.700 0.158 0.000 2.393 985 S HA -0.219 4.254 4.470 0.004 0.000 0.234 985 S C 1.096 175.809 174.600 0.188 0.000 1.064 985 S CA 1.785 60.074 58.200 0.149 0.000 1.088 985 S CB 0.060 63.331 63.200 0.118 0.000 0.939 985 S HN 0.553 nan 8.310 nan 0.000 0.448 986 D N 0.742 121.292 120.400 0.250 0.000 2.149 986 D HA 0.029 4.671 4.640 0.004 0.000 0.201 986 D C 1.923 178.504 176.300 0.469 0.000 0.972 986 D CA 0.790 54.973 54.000 0.306 0.000 0.835 986 D CB -0.272 40.717 40.800 0.314 0.000 0.966 986 D HN 0.391 nan 8.370 nan 0.000 0.476 987 I N 1.049 121.906 120.570 0.478 0.000 2.252 987 I HA -0.219 3.954 4.170 0.004 0.000 0.245 987 I C 2.521 178.894 176.117 0.427 0.000 1.102 987 I CA 0.851 62.392 61.300 0.402 0.000 1.385 987 I CB -0.205 37.887 38.000 0.152 0.000 1.064 987 I HN -0.069 nan 8.210 nan 0.000 0.414 988 K N 1.418 122.007 120.400 0.316 0.000 2.032 988 K HA -0.259 4.063 4.320 0.004 0.000 0.209 988 K C 2.361 179.104 176.600 0.239 0.000 1.048 988 K CA 1.709 58.157 56.287 0.268 0.000 0.927 988 K CB -0.078 32.523 32.500 0.169 0.000 0.712 988 K HN 0.054 nan 8.250 nan 0.000 0.441 989 R N -0.300 120.322 120.500 0.203 0.000 2.081 989 R HA -0.136 4.206 4.340 0.004 0.000 0.235 989 R C 2.201 178.566 176.300 0.108 0.000 1.131 989 R CA 1.744 57.924 56.100 0.133 0.000 0.960 989 R CB -0.508 29.860 30.300 0.112 0.000 0.856 989 R HN 0.318 nan 8.270 nan 0.000 0.436 990 F N -0.144 119.819 119.950 0.022 0.000 2.126 990 F HA -0.203 4.326 4.527 0.004 0.000 0.299 990 F C 1.390 177.035 175.800 -0.258 0.000 1.096 990 F CA 1.530 59.461 58.000 -0.114 0.000 1.255 990 F CB -0.276 38.680 39.000 -0.073 0.000 0.997 990 F HN -0.018 nan 8.300 nan 0.000 0.479 991 F N 0.856 120.743 119.950 -0.106 0.000 2.456 991 F HA 0.006 4.535 4.527 0.004 0.000 0.298 991 F C 2.285 177.953 175.800 -0.219 0.000 1.104 991 F CA 1.095 58.926 58.000 -0.283 0.000 1.435 991 F CB -0.692 38.293 39.000 -0.025 0.000 1.078 991 F HN 0.063 nan 8.300 nan 0.000 0.546 992 E N -0.238 119.988 120.200 0.043 0.000 2.152 992 E HA -0.115 4.238 4.350 0.004 0.000 0.192 992 E C 1.123 177.679 176.600 -0.073 0.000 0.983 992 E CA 0.759 57.174 56.400 0.026 0.000 0.818 992 E CB -0.111 29.614 29.700 0.041 0.000 0.758 992 E HN 0.287 nan 8.360 nan 0.000 0.467 993 N N 0.468 119.070 118.700 -0.162 0.000 2.322 993 N HA 0.063 4.805 4.740 0.004 0.000 0.194 993 N C -0.031 175.304 175.510 -0.292 0.000 1.126 993 N CA 0.153 53.090 53.050 -0.188 0.000 0.845 993 N CB 0.241 38.634 38.487 -0.158 0.000 0.976 993 N HN 0.112 nan 8.380 nan 0.000 0.475 994 L N 1.278 122.254 121.223 -0.412 0.000 2.513 994 L HA -0.003 4.339 4.340 0.004 0.000 0.272 994 L C 0.322 177.017 176.870 -0.292 0.000 1.187 994 L CA 0.321 54.858 54.840 -0.506 0.000 0.895 994 L CB 0.147 41.800 42.059 -0.676 0.000 1.147 994 L HN 0.060 nan 8.230 nan 0.000 0.483 995 N N 4.230 122.795 118.700 -0.225 0.000 2.722 995 N HA 0.278 5.021 4.740 0.004 0.000 0.242 995 N C -1.981 173.450 175.510 -0.132 0.000 1.398 995 N CA -1.099 51.856 53.050 -0.159 0.000 0.755 995 N CB 1.117 39.522 38.487 -0.136 0.000 1.268 995 N HN 0.122 nan 8.380 nan 0.000 0.522 996 P HA -0.093 nan 4.420 nan 0.000 0.215 996 P C 1.408 178.400 177.300 -0.513 0.000 1.157 996 P CA 1.239 64.288 63.100 -0.085 0.000 0.868 996 P CB 0.276 32.014 31.700 0.064 0.000 0.788 997 M N -1.729 117.423 119.600 -0.746 0.000 2.229 997 M HA 0.017 4.499 4.480 0.004 0.000 0.264 997 M C 1.442 177.482 176.300 -0.432 0.000 1.063 997 M CA 1.388 56.112 55.300 -0.961 0.000 1.114 997 M CB -0.989 31.257 32.600 -0.591 0.000 1.387 997 M HN 0.074 nan 8.290 nan 0.000 0.420 998 G N 0.992 109.637 108.800 -0.257 0.000 2.550 998 G HA2 -0.369 3.593 3.960 0.004 0.000 0.277 998 G HA3 -0.369 3.593 3.960 0.004 0.000 0.277 998 G C 0.190 175.025 174.900 -0.110 0.000 1.190 998 G CA 0.537 45.552 45.100 -0.143 0.000 0.971 998 G HN 0.557 nan 8.290 nan 0.000 0.559 999 N N 0.879 119.535 118.700 -0.072 0.000 2.398 999 N HA 0.260 5.002 4.740 0.004 0.000 0.188 999 N C 0.717 176.209 175.510 -0.031 0.000 1.122 999 N CA 0.331 53.353 53.050 -0.046 0.000 0.866 999 N CB 0.110 38.579 38.487 -0.030 0.000 0.970 999 N HN 0.417 nan 8.380 nan 0.000 0.462 1000 S N 0.791 116.471 115.700 -0.035 0.000 2.614 1000 S HA 0.244 4.716 4.470 0.004 0.000 0.265 1000 S C 0.275 174.891 174.600 0.025 0.000 1.303 1000 S CA -0.216 57.994 58.200 0.016 0.000 1.000 1000 S CB 0.876 64.121 63.200 0.074 0.000 0.935 1000 S HN 0.074 nan 8.310 nan 0.000 0.551 1001 M N 1.638 121.277 119.600 0.066 0.000 2.471 1001 M HA 0.299 4.781 4.480 0.004 0.000 0.309 1001 M C 1.659 178.035 176.300 0.128 0.000 1.186 1001 M CA -0.579 54.763 55.300 0.070 0.000 1.008 1001 M CB 0.289 32.925 32.600 0.060 0.000 1.551 1001 M HN 0.927 nan 8.290 nan 0.000 0.477 1002 E N 1.786 122.056 120.200 0.117 0.000 2.055 1002 E HA -0.298 4.054 4.350 0.004 0.000 0.209 1002 E C 1.647 178.353 176.600 0.177 0.000 1.036 1002 E CA 2.516 59.012 56.400 0.161 0.000 0.849 1002 E CB 0.007 29.773 29.700 0.109 0.000 0.767 1002 E HN 0.622 nan 8.360 nan 0.000 0.461 1003 K N 0.614 121.084 120.400 0.118 0.000 2.020 1003 K HA -0.273 4.049 4.320 0.004 0.000 0.212 1003 K C 2.338 179.010 176.600 0.120 0.000 1.050 1003 K CA 2.085 58.430 56.287 0.096 0.000 0.929 1003 K CB -0.305 32.234 32.500 0.065 0.000 0.714 1003 K HN 0.272 nan 8.250 nan 0.000 0.443 1004 E N -0.474 119.807 120.200 0.135 0.000 2.085 1004 E HA -0.242 4.110 4.350 0.004 0.000 0.194 1004 E C 1.931 178.667 176.600 0.226 0.000 0.994 1004 E CA 1.343 57.835 56.400 0.152 0.000 0.801 1004 E CB -0.291 29.486 29.700 0.129 0.000 0.743 1004 E HN 0.415 nan 8.360 nan 0.000 0.453 1005 F N 1.448 121.466 119.950 0.113 0.000 2.163 1005 F HA -0.047 4.482 4.527 0.003 0.000 0.297 1005 F C 2.308 178.235 175.800 0.212 0.000 1.094 1005 F CA 1.782 59.881 58.000 0.165 0.000 1.290 1005 F CB -0.664 38.405 39.000 0.116 0.000 1.017 1005 F HN -0.043 nan 8.300 nan 0.000 0.483 1006 T N 0.269 114.865 114.554 0.070 0.000 2.720 1006 T HA -0.196 4.157 4.350 0.004 0.000 0.268 1006 T C 1.542 176.230 174.700 -0.019 0.000 1.037 1006 T CA 1.818 63.902 62.100 -0.027 0.000 1.144 1006 T CB -0.380 68.522 68.868 0.058 0.000 0.864 1006 T HN 0.267 nan 8.240 nan 0.000 0.444 1007 D N -0.166 120.264 120.400 0.051 0.000 2.144 1007 D HA -0.073 4.569 4.640 0.004 0.000 0.200 1007 D C 1.740 178.092 176.300 0.087 0.000 0.978 1007 D CA 0.868 54.922 54.000 0.090 0.000 0.833 1007 D CB -0.348 40.511 40.800 0.098 0.000 0.961 1007 D HN 0.459 nan 8.370 nan 0.000 0.470 1008 Y N 1.839 122.110 120.300 -0.050 0.000 2.128 1008 Y HA -0.201 4.351 4.550 0.003 0.000 0.284 1008 Y C 2.198 178.021 175.900 -0.130 0.000 1.154 1008 Y CA 1.391 59.446 58.100 -0.074 0.000 1.149 1008 Y CB -0.603 37.813 38.460 -0.074 0.000 0.976 1008 Y HN -0.101 nan 8.280 nan 0.000 0.505 1009 L N -1.288 119.656 121.223 -0.464 0.000 2.046 1009 L HA -0.210 4.132 4.340 0.004 0.000 0.208 1009 L C 2.366 179.070 176.870 -0.276 0.000 1.077 1009 L CA 1.607 56.157 54.840 -0.484 0.000 0.747 1009 L CB -0.796 41.042 42.059 -0.368 0.000 0.896 1009 L HN 0.275 nan 8.230 nan 0.000 0.432 1010 F N 1.199 121.003 119.950 -0.244 0.000 2.146 1010 F HA -0.172 4.356 4.527 0.003 0.000 0.298 1010 F C 2.452 178.160 175.800 -0.152 0.000 1.096 1010 F CA 1.406 59.315 58.000 -0.151 0.000 1.275 1010 F CB -0.305 38.642 39.000 -0.088 0.000 1.008 1010 F HN 0.097 nan 8.300 nan 0.000 0.480 1011 N N 0.577 119.181 118.700 -0.161 0.000 2.120 1011 N HA -0.174 4.568 4.740 0.004 0.000 0.188 1011 N C 1.926 177.250 175.510 -0.310 0.000 1.024 1011 N CA 0.984 53.910 53.050 -0.207 0.000 0.852 1011 N CB -0.386 38.054 38.487 -0.077 0.000 1.003 1011 N HN 0.215 nan 8.380 nan 0.000 0.424 1012 K N 0.943 121.099 120.400 -0.407 0.000 2.063 1012 K HA -0.056 4.266 4.320 0.004 0.000 0.208 1012 K C 2.107 178.502 176.600 -0.342 0.000 1.048 1012 K CA 0.620 56.667 56.287 -0.400 0.000 0.928 1012 K CB -0.621 31.553 32.500 -0.544 0.000 0.713 1012 K HN 0.093 nan 8.250 nan 0.000 0.442 1013 S N 0.861 116.335 115.700 -0.376 0.000 2.383 1013 S HA -0.075 4.397 4.470 0.004 0.000 0.229 1013 S C 2.005 176.400 174.600 -0.342 0.000 1.030 1013 S CA 0.865 58.858 58.200 -0.345 0.000 1.002 1013 S CB -0.068 62.902 63.200 -0.383 0.000 0.829 1013 S HN 0.252 nan 8.310 nan 0.000 0.467 1014 L N 0.933 121.901 121.223 -0.424 0.000 2.217 1014 L HA -0.003 4.339 4.340 0.004 0.000 0.211 1014 L C 2.704 179.482 176.870 -0.152 0.000 1.107 1014 L CA 1.476 56.139 54.840 -0.295 0.000 0.783 1014 L CB -0.472 41.405 42.059 -0.303 0.000 0.919 1014 L HN 0.508 nan 8.230 nan 0.000 0.442 1015 E N 1.482 121.591 120.200 -0.151 0.000 2.028 1015 E HA -0.222 4.130 4.350 0.004 0.000 0.190 1015 E C 2.273 178.873 176.600 -0.001 0.000 0.984 1015 E CA 1.475 57.845 56.400 -0.050 0.000 0.800 1015 E CB -0.083 29.574 29.700 -0.071 0.000 0.758 1015 E HN 0.608 nan 8.360 nan 0.000 0.448 1016 I N -1.847 118.613 120.570 -0.184 0.000 2.676 1016 I HA 0.021 4.194 4.170 0.004 0.000 0.259 1016 I C 0.184 176.269 176.117 -0.054 0.000 1.194 1016 I CA 1.087 62.222 61.300 -0.274 0.000 1.473 1016 I CB -0.007 37.740 38.000 -0.422 0.000 1.096 1016 I HN -0.060 nan 8.210 nan 0.000 0.443 1017 E N 1.799 121.971 120.200 -0.046 0.000 2.874 1017 E HA 0.376 4.728 4.350 0.004 0.000 0.320 1017 E C -2.525 174.076 176.600 0.001 0.000 1.141 1017 E CA -1.845 54.563 56.400 0.013 0.000 0.774 1017 E CB 1.407 31.133 29.700 0.042 0.000 1.542 1017 E HN 0.156 nan 8.360 nan 0.000 0.380 1018 P HA -0.055 nan 4.420 nan 0.000 0.269 1018 P C -0.273 177.035 177.300 0.014 0.000 1.211 1018 P CA 0.105 63.204 63.100 -0.001 0.000 0.781 1018 P CB 0.613 32.320 31.700 0.012 0.000 0.877 1019 R N 2.041 122.545 120.500 0.006 0.000 2.594 1019 R HA 0.167 4.509 4.340 0.004 0.000 0.272 1019 R C 0.461 176.780 176.300 0.031 0.000 1.074 1019 R CA -0.314 55.800 56.100 0.023 0.000 1.105 1019 R CB 0.066 30.382 30.300 0.028 0.000 1.008 1019 R HN 0.525 nan 8.270 nan 0.000 0.472 1020 N N 3.627 122.349 118.700 0.036 0.000 2.441 1020 N HA 0.006 4.748 4.740 0.004 0.000 0.251 1020 N C -1.444 174.082 175.510 0.026 0.000 1.242 1020 N CA -0.436 52.635 53.050 0.035 0.000 0.898 1020 N CB 0.537 39.043 38.487 0.032 0.000 1.100 1020 N HN 0.460 nan 8.380 nan 0.000 0.443 1021 P HA 0.104 nan 4.420 nan 0.000 0.258 1021 P C -0.448 176.863 177.300 0.018 0.000 1.416 1021 P CA 0.095 63.208 63.100 0.021 0.000 0.927 1021 P CB 0.366 32.076 31.700 0.015 0.000 1.444 1022 K N 1.913 122.323 120.400 0.018 0.000 2.484 1022 K HA 0.140 4.462 4.320 0.004 0.000 0.280 1022 K C -2.144 174.461 176.600 0.010 0.000 1.013 1022 K CA -1.224 55.069 56.287 0.010 0.000 1.029 1022 K CB -0.421 32.084 32.500 0.009 0.000 0.902 1022 K HN 0.159 nan 8.250 nan 0.000 0.481 1023 P HA -0.052 nan 4.420 nan 0.000 0.269 1023 P C -0.753 176.528 177.300 -0.033 0.000 1.215 1023 P CA -0.503 62.585 63.100 -0.019 0.000 0.780 1023 P CB 0.382 32.063 31.700 -0.032 0.000 0.898 1024 L N 5.090 126.274 121.223 -0.066 0.000 2.283 1024 L HA 0.378 4.720 4.340 0.004 0.000 0.287 1024 L C -1.944 174.870 176.870 -0.094 0.000 1.073 1024 L CA -1.774 53.004 54.840 -0.104 0.000 0.822 1024 L CB -0.438 41.452 42.059 -0.283 0.000 1.186 1024 L HN 0.302 nan 8.230 nan 0.000 0.436 1025 P HA 0.317 nan 4.420 nan 0.000 0.277 1025 P C -1.046 176.135 177.300 -0.199 0.000 1.276 1025 P CA -0.482 62.503 63.100 -0.191 0.000 0.788 1025 P CB 0.831 32.341 31.700 -0.316 0.000 1.114 1026 R N -1.004 119.254 120.500 -0.403 0.000 2.854 1026 R HA 0.719 5.061 4.340 0.004 0.000 0.271 1026 R C -0.820 175.141 176.300 -0.566 0.000 0.996 1026 R CA -0.496 55.456 56.100 -0.248 0.000 0.961 1026 R CB 1.300 31.506 30.300 -0.156 0.000 1.182 1026 R HN 0.378 nan 8.270 nan 0.000 0.479 1027 F N 0.611 120.525 119.950 -0.061 0.000 2.613 1027 F HA 0.420 4.949 4.527 0.003 0.000 0.310 1027 F C -2.041 173.724 175.800 -0.059 0.000 1.085 1027 F CA -2.278 55.686 58.000 -0.060 0.000 0.945 1027 F CB 1.433 40.394 39.000 -0.065 0.000 1.298 1027 F HN 0.327 nan 8.300 nan 0.000 0.455 1028 P HA 0.196 nan 4.420 nan 0.000 0.274 1028 P C -0.962 176.347 177.300 0.015 0.000 1.231 1028 P CA -0.460 62.661 63.100 0.036 0.000 0.790 1028 P CB 1.104 32.810 31.700 0.010 0.000 0.951 1029 K N 1.199 121.588 120.400 -0.018 0.000 2.230 1029 K HA 0.025 4.348 4.320 0.004 0.000 0.253 1029 K C 1.257 177.778 176.600 -0.132 0.000 1.008 1029 K CA 0.100 56.354 56.287 -0.056 0.000 0.910 1029 K CB 0.352 32.833 32.500 -0.033 0.000 0.994 1029 K HN 0.489 nan 8.250 nan 0.000 0.495 1030 K N -0.674 119.565 120.400 -0.269 0.000 2.491 1030 K HA 0.110 4.433 4.320 0.004 0.000 0.211 1030 K C -0.570 175.724 176.600 -0.509 0.000 1.210 1030 K CA -0.166 55.885 56.287 -0.394 0.000 1.003 1030 K CB 0.314 32.505 32.500 -0.515 0.000 1.009 1030 K HN 0.267 nan 8.250 nan 0.000 0.577 1031 Y N 2.155 122.322 120.300 -0.222 0.000 2.320 1031 Y HA 0.213 4.766 4.550 0.004 0.000 0.334 1031 Y C 1.343 176.972 175.900 -0.452 0.000 1.055 1031 Y CA -0.860 56.950 58.100 -0.483 0.000 1.143 1031 Y CB 2.008 40.131 38.460 -0.562 0.000 1.193 1031 Y HN 0.190 nan 8.280 nan 0.000 0.477 1032 S N 1.372 116.841 115.700 -0.385 0.000 2.556 1032 S HA 0.103 4.575 4.470 0.004 0.000 0.216 1032 S C -0.240 174.304 174.600 -0.093 0.000 0.970 1032 S CA -0.184 57.912 58.200 -0.174 0.000 0.912 1032 S CB -0.630 62.529 63.200 -0.067 0.000 0.790 1032 S HN 0.510 nan 8.310 nan 0.000 0.504 1033 Y N 0.517 120.870 120.300 0.088 0.000 2.567 1033 Y HA 0.822 5.374 4.550 0.004 0.000 0.333 1033 Y C -2.842 173.072 175.900 0.023 0.000 1.106 1033 Y CA -4.081 54.038 58.100 0.033 0.000 1.157 1033 Y CB -0.625 37.838 38.460 0.005 0.000 1.277 1033 Y HN -0.166 nan 8.280 nan 0.000 0.490 1034 P HA 0.067 nan 4.420 nan 0.000 0.264 1034 P C 0.153 177.566 177.300 0.188 0.000 1.193 1034 P CA 0.182 63.370 63.100 0.147 0.000 0.763 1034 P CB 1.212 32.966 31.700 0.090 0.000 0.810 1035 L N 1.054 122.346 121.223 0.115 0.000 2.558 1035 L HA 0.102 4.444 4.340 0.004 0.000 0.225 1035 L C 1.470 178.365 176.870 0.042 0.000 1.128 1035 L CA 0.130 55.014 54.840 0.074 0.000 0.868 1035 L CB -0.394 41.681 42.059 0.027 0.000 1.006 1035 L HN 0.414 nan 8.230 nan 0.000 0.454 1036 K N 1.528 121.958 120.400 0.050 0.000 2.447 1036 K HA 0.016 4.338 4.320 0.004 0.000 0.281 1036 K C 0.425 177.023 176.600 -0.003 0.000 1.031 1036 K CA -0.015 56.283 56.287 0.018 0.000 1.019 1036 K CB 0.719 33.234 32.500 0.026 0.000 0.918 1036 K HN -0.058 nan 8.250 nan 0.000 0.476 1037 S N 4.453 120.107 115.700 -0.078 0.000 2.580 1037 S HA 0.220 4.692 4.470 0.004 0.000 0.274 1037 S C -1.345 173.119 174.600 -0.228 0.000 1.329 1037 S CA -1.362 56.720 58.200 -0.196 0.000 1.036 1037 S CB 0.839 63.934 63.200 -0.175 0.000 0.919 1037 S HN 0.632 nan 8.310 nan 0.000 0.515 1038 P HA 0.232 nan 4.420 nan 0.000 0.249 1038 P C 0.710 177.899 177.300 -0.185 0.000 1.229 1038 P CA 0.581 63.491 63.100 -0.317 0.000 0.788 1038 P CB -0.702 30.648 31.700 -0.582 0.000 1.072 1039 G N 0.439 109.125 108.800 -0.190 0.000 2.746 1039 G HA2 -0.147 3.816 3.960 0.004 0.000 0.685 1039 G HA3 -0.147 3.816 3.960 0.004 0.000 0.685 1039 G C 0.076 174.967 174.900 -0.016 0.000 1.350 1039 G CA -0.367 44.682 45.100 -0.086 0.000 0.837 1039 G HN 0.262 nan 8.290 nan 0.000 0.564 1040 V N -2.172 117.734 119.914 -0.013 0.000 3.170 1040 V HA 0.540 4.663 4.120 0.004 0.000 0.354 1040 V C 0.700 176.788 176.094 -0.010 0.000 1.350 1040 V CA -0.117 62.184 62.300 0.002 0.000 1.244 1040 V CB -0.086 31.711 31.823 -0.044 0.000 1.222 1040 V HN 0.636 nan 8.190 nan 0.000 0.478 1041 R N 3.135 123.636 120.500 0.002 0.000 2.294 1041 R HA 0.526 4.868 4.340 0.004 0.000 0.319 1041 R C -2.629 173.658 176.300 -0.022 0.000 0.984 1041 R CA -1.836 54.255 56.100 -0.014 0.000 0.861 1041 R CB 1.358 31.653 30.300 -0.008 0.000 1.104 1041 R HN 0.357 nan 8.270 nan 0.000 0.451 1042 P HA 0.134 nan 4.420 nan 0.000 0.275 1042 P C -0.514 176.758 177.300 -0.047 0.000 1.228 1042 P CA -0.260 62.793 63.100 -0.079 0.000 0.786 1042 P CB 0.923 32.570 31.700 -0.090 0.000 0.927 1043 S N 0.922 116.592 115.700 -0.049 0.000 2.617 1043 S HA 0.181 4.653 4.470 0.004 0.000 0.283 1043 S C 1.289 175.877 174.600 -0.020 0.000 1.189 1043 S CA -0.668 57.520 58.200 -0.019 0.000 1.036 1043 S CB 1.000 64.202 63.200 0.002 0.000 1.014 1043 S HN 0.535 nan 8.310 nan 0.000 0.522 1044 N N 1.520 120.216 118.700 -0.007 0.000 2.197 1044 N HA 0.048 4.790 4.740 0.004 0.000 0.184 1044 N C -1.454 174.057 175.510 0.001 0.000 1.030 1044 N CA -0.147 52.900 53.050 -0.006 0.000 0.851 1044 N CB -0.608 37.878 38.487 -0.002 0.000 1.003 1044 N HN 0.508 nan 8.380 nan 0.000 0.430 1045 P HA -0.091 nan 4.420 nan 0.000 0.271 1045 P C -0.811 176.500 177.300 0.019 0.000 1.197 1045 P CA 0.850 63.960 63.100 0.016 0.000 0.777 1045 P CB 0.669 32.383 31.700 0.023 0.000 0.827 1046 R N 0.000 120.513 120.500 0.022 0.000 2.786 1046 R HA 0.000 4.342 4.340 0.004 0.000 0.208 1046 R CA 0.000 56.117 56.100 0.028 0.000 0.921 1046 R CB 0.000 30.312 30.300 0.020 0.000 0.687 1046 R HN 0.000 nan 8.270 nan 0.000 0.535