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 1nvv_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 0.000 176.024 176.000 0.040 0.000 1.003 566 Q CA 0.000 55.826 55.803 0.038 0.000 1.022 566 Q CB 0.000 28.761 28.738 0.038 0.000 1.108 567 M N 1.267 120.899 119.600 0.053 0.000 2.124 567 M HA 0.469 4.951 4.480 0.004 0.000 0.280 567 M C -1.590 174.725 176.300 0.025 0.000 0.954 567 M CA -0.292 55.044 55.300 0.060 0.000 0.958 567 M CB 1.374 34.045 32.600 0.118 0.000 1.611 567 M HN 0.463 nan 8.290 nan 0.000 0.449 568 R N 3.961 124.434 120.500 -0.044 0.000 2.502 568 R HA 0.285 4.627 4.340 0.004 0.000 0.292 568 R C -0.713 175.466 176.300 -0.203 0.000 0.998 568 R CA 0.280 56.312 56.100 -0.114 0.000 1.056 568 R CB 0.156 30.363 30.300 -0.156 0.000 0.939 568 R HN 0.670 nan 8.270 nan 0.000 0.411 569 L N 4.471 125.596 121.223 -0.163 0.000 2.416 569 L HA 0.408 4.750 4.340 0.004 0.000 0.262 569 L C -1.733 174.987 176.870 -0.251 0.000 1.093 569 L CA -2.304 52.404 54.840 -0.220 0.000 0.801 569 L CB 0.432 42.423 42.059 -0.113 0.000 1.191 569 L HN 0.344 nan 8.230 nan 0.000 0.459 570 P HA 0.010 nan 4.420 nan 0.000 0.270 570 P C -0.588 176.685 177.300 -0.045 0.000 1.223 570 P CA -0.277 62.716 63.100 -0.178 0.000 0.785 570 P CB 0.552 32.160 31.700 -0.154 0.000 0.923 571 S N 0.898 116.574 115.700 -0.039 0.000 2.549 571 S HA 0.210 4.682 4.470 0.004 0.000 0.286 571 S C 1.417 176.048 174.600 0.052 0.000 1.314 571 S CA 0.005 58.202 58.200 -0.005 0.000 1.062 571 S CB -0.137 63.053 63.200 -0.017 0.000 0.865 571 S HN 0.463 nan 8.310 nan 0.000 0.498 572 A N 3.880 126.722 122.820 0.038 0.000 2.172 572 A HA -0.021 4.302 4.320 0.004 0.000 0.216 572 A C 1.621 179.217 177.584 0.020 0.000 1.154 572 A CA 1.217 53.276 52.037 0.036 0.000 0.701 572 A CB -0.303 18.704 19.000 0.013 0.000 0.789 572 A HN 0.902 nan 8.150 nan 0.000 0.465 573 D N -0.718 119.695 120.400 0.021 0.000 2.348 573 D HA 0.004 4.647 4.640 0.004 0.000 0.211 573 D C 1.672 177.991 176.300 0.031 0.000 0.998 573 D CA 1.482 55.490 54.000 0.013 0.000 0.873 573 D CB 0.533 41.336 40.800 0.005 0.000 0.925 573 D HN 0.493 nan 8.370 nan 0.000 0.524 574 V N -2.809 117.144 119.914 0.065 0.000 3.604 574 V HA 0.260 4.382 4.120 0.004 0.000 0.277 574 V C -0.249 175.967 176.094 0.202 0.000 1.399 574 V CA -0.304 62.053 62.300 0.096 0.000 1.034 574 V CB 0.056 31.920 31.823 0.069 0.000 0.824 574 V HN -0.053 nan 8.190 nan 0.000 0.439 575 Y N 1.203 121.517 120.300 0.024 0.000 2.317 575 Y HA 0.578 5.131 4.550 0.004 0.000 0.325 575 Y C 1.079 176.994 175.900 0.025 0.000 1.066 575 Y CA -1.400 56.742 58.100 0.071 0.000 1.203 575 Y CB 1.611 40.134 38.460 0.105 0.000 1.127 575 Y HN -0.044 nan 8.280 nan 0.000 0.451 576 R N 2.858 123.168 120.500 -0.318 0.000 2.200 576 R HA -0.119 4.223 4.340 0.004 0.000 0.234 576 R C 0.466 176.385 176.300 -0.636 0.000 1.127 576 R CA 1.575 57.387 56.100 -0.481 0.000 0.989 576 R CB -0.098 29.833 30.300 -0.615 0.000 0.869 576 R HN 0.541 nan 8.270 nan 0.000 0.459 577 F N -0.372 119.239 119.950 -0.565 0.000 2.769 577 F HA 0.179 4.708 4.527 0.004 0.000 0.304 577 F C 1.724 177.490 175.800 -0.057 0.000 1.158 577 F CA 0.026 57.818 58.000 -0.346 0.000 1.398 577 F CB 0.272 38.999 39.000 -0.456 0.000 1.094 577 F HN 0.008 nan 8.300 nan 0.000 0.553 578 A N -1.432 121.446 122.820 0.096 0.000 2.303 578 A HA 0.125 4.447 4.320 0.004 0.000 0.217 578 A C 0.955 178.600 177.584 0.102 0.000 1.205 578 A CA -0.097 52.056 52.037 0.192 0.000 0.875 578 A CB -0.102 19.040 19.000 0.236 0.000 0.910 578 A HN -0.014 nan 8.150 nan 0.000 0.501 579 E N 2.203 122.424 120.200 0.036 0.000 2.465 579 E HA 0.120 4.473 4.350 0.004 0.000 0.260 579 E C -2.229 174.408 176.600 0.063 0.000 0.980 579 E CA -1.313 55.101 56.400 0.023 0.000 0.927 579 E CB 0.396 30.082 29.700 -0.023 0.000 0.934 579 E HN 0.361 nan 8.360 nan 0.000 0.459 580 P HA 0.054 nan 4.420 nan 0.000 0.272 580 P C -0.364 176.987 177.300 0.085 0.000 1.230 580 P CA -0.299 62.853 63.100 0.087 0.000 0.788 580 P CB 0.717 32.459 31.700 0.069 0.000 0.949 581 D N 0.104 120.574 120.400 0.117 0.000 2.382 581 D HA 0.280 4.922 4.640 0.004 0.000 0.245 581 D C 0.603 176.959 176.300 0.093 0.000 1.120 581 D CA 0.631 54.702 54.000 0.119 0.000 0.890 581 D CB 0.519 41.439 40.800 0.199 0.000 1.201 581 D HN 0.444 nan 8.370 nan 0.000 0.433 582 S N 0.389 116.130 115.700 0.070 0.000 2.625 582 S HA 0.209 4.682 4.470 0.004 0.000 0.271 582 S C 0.481 175.115 174.600 0.057 0.000 1.161 582 S CA -0.780 57.455 58.200 0.058 0.000 0.820 582 S CB 1.765 64.984 63.200 0.031 0.000 1.137 582 S HN 0.222 nan 8.310 nan 0.000 0.470 583 E N 0.653 120.897 120.200 0.074 0.000 2.463 583 E HA -0.053 4.299 4.350 0.004 0.000 0.201 583 E C 0.928 177.600 176.600 0.121 0.000 1.045 583 E CA 0.807 57.271 56.400 0.106 0.000 0.872 583 E CB -0.006 29.797 29.700 0.172 0.000 0.797 583 E HN 0.721 nan 8.360 nan 0.000 0.538 584 E N -0.073 120.176 120.200 0.083 0.000 2.400 584 E HA -0.000 4.352 4.350 0.004 0.000 0.195 584 E C 1.328 177.941 176.600 0.021 0.000 1.012 584 E CA 0.285 56.728 56.400 0.072 0.000 0.875 584 E CB 0.159 29.881 29.700 0.037 0.000 0.859 584 E HN 0.392 nan 8.360 nan 0.000 0.498 585 N N -0.133 118.566 118.700 -0.001 0.000 2.145 585 N HA 0.157 4.900 4.740 0.004 0.000 0.219 585 N C 0.166 175.633 175.510 -0.072 0.000 1.266 585 N CA -0.082 52.950 53.050 -0.031 0.000 0.902 585 N CB 1.423 39.895 38.487 -0.025 0.000 1.078 585 N HN -0.056 nan 8.380 nan 0.000 0.513 586 I N 0.908 121.422 120.570 -0.093 0.000 2.753 586 I HA 0.424 4.597 4.170 0.004 0.000 0.291 586 I C -2.001 173.962 176.117 -0.256 0.000 1.425 586 I CA -0.745 60.426 61.300 -0.215 0.000 1.039 586 I CB 2.464 40.293 38.000 -0.286 0.000 1.349 586 I HN -0.071 nan 8.210 nan 0.000 0.430 587 I N 6.744 127.108 120.570 -0.343 0.000 2.533 587 I HA 0.417 4.590 4.170 0.004 0.000 0.290 587 I C -1.155 174.749 176.117 -0.354 0.000 1.056 587 I CA -0.452 60.705 61.300 -0.238 0.000 1.057 587 I CB 1.877 39.820 38.000 -0.096 0.000 1.240 587 I HN 0.310 nan 8.210 nan 0.000 0.423 588 F N 2.795 122.759 119.950 0.024 0.000 2.440 588 F HA 0.429 4.959 4.527 0.004 0.000 0.328 588 F C 0.657 176.470 175.800 0.022 0.000 1.070 588 F CA -0.680 57.335 58.000 0.025 0.000 1.011 588 F CB 0.966 39.973 39.000 0.013 0.000 1.226 588 F HN 0.357 nan 8.300 nan 0.000 0.491 589 E N 1.036 121.375 120.200 0.231 0.000 2.331 589 E HA 0.222 4.574 4.350 0.004 0.000 0.272 589 E C -0.736 175.928 176.600 0.106 0.000 1.036 589 E CA -0.202 56.274 56.400 0.126 0.000 0.864 589 E CB 0.608 30.367 29.700 0.098 0.000 1.035 589 E HN 0.401 nan 8.360 nan 0.000 0.408 598 I N -0.795 119.643 120.570 -0.220 0.000 2.938 598 I HA 0.558 4.730 4.170 0.004 0.000 0.285 598 I C -1.998 173.907 176.117 -0.354 0.000 1.182 598 I CA -1.682 59.348 61.300 -0.450 0.000 1.388 598 I CB 0.243 37.880 38.000 -0.605 0.000 1.390 598 I HN 0.008 nan 8.210 nan 0.000 0.600 599 P HA 0.339 nan 4.420 nan 0.000 0.269 599 P C -0.857 176.464 177.300 0.034 0.000 1.209 599 P CA 0.090 63.076 63.100 -0.190 0.000 0.776 599 P CB 0.556 32.104 31.700 -0.254 0.000 0.876 600 I N 3.043 123.721 120.570 0.180 0.000 2.418 600 I HA 0.248 4.421 4.170 0.004 0.000 0.287 600 I C -0.242 176.061 176.117 0.310 0.000 1.008 600 I CA -0.981 60.452 61.300 0.222 0.000 1.104 600 I CB 1.339 39.417 38.000 0.131 0.000 1.264 600 I HN 0.139 nan 8.210 nan 0.000 0.438 601 I N 6.776 127.533 120.570 0.311 0.000 2.471 601 I HA 0.064 4.236 4.170 0.004 0.000 0.286 601 I C 1.285 177.503 176.117 0.168 0.000 1.079 601 I CA 0.458 61.855 61.300 0.162 0.000 1.398 601 I CB 0.760 38.836 38.000 0.127 0.000 1.403 601 I HN 0.594 nan 8.210 nan 0.000 0.530 602 K N 5.239 125.665 120.400 0.043 0.000 2.099 602 K HA 0.452 4.774 4.320 0.004 0.000 0.203 602 K C 0.375 176.997 176.600 0.036 0.000 1.047 602 K CA 0.760 57.074 56.287 0.046 0.000 0.963 602 K CB 0.371 32.881 32.500 0.016 0.000 0.759 602 K HN 0.747 nan 8.250 nan 0.000 0.451 603 A N -0.529 122.266 122.820 -0.042 0.000 2.609 603 A HA 0.691 5.013 4.320 0.004 0.000 0.291 603 A C -0.894 176.607 177.584 -0.139 0.000 1.096 603 A CA -0.362 51.638 52.037 -0.060 0.000 0.684 603 A CB 1.679 20.642 19.000 -0.061 0.000 1.282 603 A HN 0.356 nan 8.150 nan 0.000 0.412 604 G N -0.752 107.964 108.800 -0.139 0.000 2.368 604 G HA2 0.644 4.607 3.960 0.004 0.000 0.293 604 G HA3 0.644 4.607 3.960 0.004 0.000 0.293 604 G C -0.417 174.404 174.900 -0.131 0.000 1.467 604 G CA 0.337 45.347 45.100 -0.149 0.000 0.804 604 G HN 1.682 nan 8.290 nan 0.000 0.535 605 T N -1.450 113.049 114.554 -0.092 0.000 2.828 605 T HA 0.410 4.762 4.350 0.004 0.000 0.290 605 T C 1.677 176.354 174.700 -0.038 0.000 1.019 605 T CA 0.182 62.245 62.100 -0.062 0.000 1.031 605 T CB 1.425 70.268 68.868 -0.042 0.000 1.001 605 T HN 0.807 nan 8.240 nan 0.000 0.531 606 V N 1.397 121.321 119.914 0.017 0.000 2.332 606 V HA -0.155 3.967 4.120 0.004 0.000 0.248 606 V C 2.627 178.799 176.094 0.129 0.000 1.055 606 V CA 1.354 63.731 62.300 0.127 0.000 1.038 606 V CB -0.965 30.981 31.823 0.205 0.000 0.651 606 V HN 0.775 nan 8.190 nan 0.000 0.450 607 I N -0.083 120.521 120.570 0.057 0.000 2.163 607 I HA -0.214 3.958 4.170 0.004 0.000 0.243 607 I C 2.476 178.656 176.117 0.105 0.000 1.085 607 I CA 1.770 63.093 61.300 0.038 0.000 1.347 607 I CB -1.006 36.902 38.000 -0.154 0.000 1.044 607 I HN 0.292 nan 8.210 nan 0.000 0.408 608 K N 0.424 120.842 120.400 0.029 0.000 2.148 608 K HA -0.089 4.233 4.320 0.004 0.000 0.204 608 K C 1.883 178.475 176.600 -0.013 0.000 1.050 608 K CA 0.748 57.044 56.287 0.016 0.000 0.942 608 K CB -0.509 31.965 32.500 -0.043 0.000 0.724 608 K HN 0.047 nan 8.250 nan 0.000 0.446 609 L N 0.570 121.787 121.223 -0.010 0.000 2.046 609 L HA -0.084 4.259 4.340 0.004 0.000 0.208 609 L C 1.943 178.789 176.870 -0.040 0.000 1.077 609 L CA 1.572 56.411 54.840 -0.002 0.000 0.747 609 L CB -0.486 41.621 42.059 0.080 0.000 0.896 609 L HN 0.172 nan 8.230 nan 0.000 0.432 610 I N -1.172 119.391 120.570 -0.011 0.000 2.439 610 I HA -0.246 3.927 4.170 0.004 0.000 0.251 610 I C 2.459 178.453 176.117 -0.204 0.000 1.139 610 I CA 0.876 62.075 61.300 -0.168 0.000 1.438 610 I CB -0.207 37.783 38.000 -0.016 0.000 1.085 610 I HN 0.395 nan 8.210 nan 0.000 0.427 611 E N 1.154 121.343 120.200 -0.018 0.000 2.051 611 E HA -0.223 4.130 4.350 0.004 0.000 0.192 611 E C 2.338 178.888 176.600 -0.083 0.000 0.991 611 E CA 1.028 57.435 56.400 0.012 0.000 0.799 611 E CB 0.158 29.990 29.700 0.219 0.000 0.748 611 E HN 0.269 nan 8.360 nan 0.000 0.449 612 R N 0.381 120.749 120.500 -0.219 0.000 2.115 612 R HA -0.104 4.239 4.340 0.004 0.000 0.230 612 R C 2.466 178.290 176.300 -0.793 0.000 1.111 612 R CA 0.469 56.290 56.100 -0.465 0.000 0.976 612 R CB -0.798 29.228 30.300 -0.456 0.000 0.870 612 R HN 0.273 nan 8.270 nan 0.000 0.445 613 L N 1.417 122.136 121.223 -0.841 0.000 2.187 613 L HA -0.110 4.232 4.340 0.004 0.000 0.213 613 L C 1.100 177.680 176.870 -0.484 0.000 1.100 613 L CA 1.977 56.322 54.840 -0.825 0.000 0.765 613 L CB -0.285 41.414 42.059 -0.601 0.000 0.904 613 L HN 0.213 nan 8.230 nan 0.000 0.437 614 T N -4.044 110.284 114.554 -0.377 0.000 3.415 614 T HA 0.178 4.531 4.350 0.004 0.000 0.282 614 T C -0.053 174.507 174.700 -0.234 0.000 1.007 614 T CA -0.553 61.379 62.100 -0.281 0.000 0.958 614 T CB -0.821 67.880 68.868 -0.277 0.000 1.171 614 T HN 0.071 nan 8.240 nan 0.000 0.500 615 Y N 4.024 124.072 120.300 -0.420 0.000 2.578 615 Y HA 0.131 4.684 4.550 0.004 0.000 0.339 615 Y C 1.931 177.586 175.900 -0.408 0.000 1.231 615 Y CA -0.386 57.461 58.100 -0.421 0.000 1.461 615 Y CB 0.724 38.789 38.460 -0.658 0.000 1.323 615 Y HN 0.470 nan 8.280 nan 0.000 0.590 616 H N 2.461 120.986 119.070 -0.908 0.000 2.525 616 H HA -0.002 4.556 4.556 0.004 0.000 0.275 616 H C 1.207 176.208 175.328 -0.544 0.000 0.984 616 H CA 0.874 56.489 56.048 -0.720 0.000 1.264 616 H CB 0.120 29.376 29.762 -0.844 0.000 1.432 616 H HN 0.580 nan 8.280 nan 0.000 0.549 617 M N 1.003 119.903 119.600 -1.166 0.000 2.160 617 M HA 0.063 4.545 4.480 0.004 0.000 0.264 617 M C 0.499 176.682 176.300 -0.195 0.000 1.073 617 M CA 0.876 55.807 55.300 -0.614 0.000 1.142 617 M CB -0.489 31.868 32.600 -0.405 0.000 1.358 617 M HN 0.318 nan 8.290 nan 0.000 0.422 618 Y N -2.161 118.122 120.300 -0.028 0.000 2.698 618 Y HA 0.822 5.374 4.550 0.004 0.000 0.332 618 Y C -0.731 175.161 175.900 -0.013 0.000 1.119 618 Y CA -2.416 55.677 58.100 -0.012 0.000 1.109 618 Y CB 0.430 38.898 38.460 0.013 0.000 1.308 618 Y HN -0.015 nan 8.280 nan 0.000 0.499 619 A N 0.525 123.503 122.820 0.263 0.000 2.330 619 A HA 0.682 5.004 4.320 0.004 0.000 0.329 619 A C -1.372 176.351 177.584 0.231 0.000 1.135 619 A CA -0.271 51.859 52.037 0.155 0.000 0.817 619 A CB 0.982 20.030 19.000 0.080 0.000 1.269 619 A HN 0.789 nan 8.150 nan 0.000 0.469 620 D N 0.905 121.404 120.400 0.165 0.000 3.117 620 D HA 0.260 4.902 4.640 0.004 0.000 0.241 620 D C -2.434 173.967 176.300 0.169 0.000 1.385 620 D CA -0.584 53.531 54.000 0.191 0.000 0.855 620 D CB 0.745 41.719 40.800 0.290 0.000 1.498 620 D HN 0.089 nan 8.370 nan 0.000 0.584 621 P HA -0.050 nan 4.420 nan 0.000 0.223 621 P C 1.140 178.496 177.300 0.093 0.000 1.144 621 P CA 0.688 63.832 63.100 0.072 0.000 0.783 621 P CB 0.334 32.068 31.700 0.057 0.000 0.771 622 N N -1.452 117.327 118.700 0.131 0.000 2.244 622 N HA -0.128 4.615 4.740 0.004 0.000 0.183 622 N C 1.325 176.944 175.510 0.183 0.000 1.016 622 N CA 0.777 53.900 53.050 0.123 0.000 0.866 622 N CB -0.716 37.834 38.487 0.106 0.000 0.980 622 N HN 0.036 nan 8.380 nan 0.000 0.430 623 F N 0.073 120.096 119.950 0.121 0.000 2.146 623 F HA -0.130 4.399 4.527 0.004 0.000 0.298 623 F C 2.001 177.915 175.800 0.190 0.000 1.096 623 F CA 0.842 58.962 58.000 0.200 0.000 1.275 623 F CB -0.081 39.018 39.000 0.166 0.000 1.008 623 F HN -0.134 nan 8.300 nan 0.000 0.480 624 V N 0.828 120.967 119.914 0.376 0.000 2.287 624 V HA -0.337 3.785 4.120 0.004 0.000 0.248 624 V C 2.477 178.678 176.094 0.179 0.000 1.053 624 V CA 2.360 64.789 62.300 0.215 0.000 1.027 624 V CB -0.849 30.968 31.823 -0.008 0.000 0.646 624 V HN 0.310 nan 8.190 nan 0.000 0.447 625 R N -0.142 120.432 120.500 0.123 0.000 2.070 625 R HA -0.172 4.170 4.340 0.004 0.000 0.233 625 R C 2.449 178.828 176.300 0.132 0.000 1.137 625 R CA 2.194 58.378 56.100 0.140 0.000 0.945 625 R CB -0.625 29.735 30.300 0.100 0.000 0.845 625 R HN 0.543 nan 8.270 nan 0.000 0.430 626 T N 0.840 115.451 114.554 0.096 0.000 2.635 626 T HA -0.220 4.132 4.350 0.004 0.000 0.267 626 T C 1.389 176.147 174.700 0.096 0.000 1.040 626 T CA 1.824 63.937 62.100 0.021 0.000 1.156 626 T CB -0.457 68.348 68.868 -0.105 0.000 0.863 626 T HN 0.267 nan 8.240 nan 0.000 0.430 627 F N 1.433 121.441 119.950 0.097 0.000 2.075 627 F HA 0.014 4.543 4.527 0.004 0.000 0.297 627 F C 2.048 177.899 175.800 0.085 0.000 1.113 627 F CA 1.156 59.267 58.000 0.186 0.000 1.218 627 F CB -0.460 38.672 39.000 0.221 0.000 0.984 627 F HN 0.030 nan 8.300 nan 0.000 0.472 628 L N -0.627 120.727 121.223 0.218 0.000 2.191 628 L HA -0.221 4.121 4.340 0.004 0.000 0.212 628 L C 2.113 178.821 176.870 -0.269 0.000 1.103 628 L CA 1.613 56.389 54.840 -0.106 0.000 0.769 628 L CB -0.928 40.966 42.059 -0.276 0.000 0.908 628 L HN 0.211 nan 8.230 nan 0.000 0.438 629 T N -2.027 112.475 114.554 -0.087 0.000 2.978 629 T HA -0.071 4.282 4.350 0.004 0.000 0.262 629 T C 1.728 176.377 174.700 -0.084 0.000 1.063 629 T CA 1.602 63.701 62.100 -0.001 0.000 1.140 629 T CB 0.018 68.942 68.868 0.093 0.000 0.886 629 T HN 0.504 nan 8.240 nan 0.000 0.470 630 T N -0.594 113.873 114.554 -0.145 0.000 3.003 630 T HA 0.103 4.456 4.350 0.004 0.000 0.261 630 T C 1.747 176.180 174.700 -0.445 0.000 1.003 630 T CA -0.314 61.660 62.100 -0.209 0.000 0.917 630 T CB -0.598 68.215 68.868 -0.092 0.000 1.084 630 T HN 0.501 nan 8.240 nan 0.000 0.522 631 Y N 2.660 122.511 120.300 -0.748 0.000 2.315 631 Y HA 0.084 4.637 4.550 0.004 0.000 0.288 631 Y C 2.138 177.352 175.900 -1.144 0.000 1.154 631 Y CA 0.583 57.836 58.100 -1.412 0.000 1.229 631 Y CB -0.608 36.949 38.460 -1.505 0.000 0.980 631 Y HN 0.051 nan 8.280 nan 0.000 0.540 632 R N 0.884 120.534 120.500 -1.417 0.000 2.249 632 R HA -0.133 4.210 4.340 0.004 0.000 0.230 632 R C 2.350 178.351 176.300 -0.497 0.000 1.121 632 R CA 1.362 56.902 56.100 -0.933 0.000 0.997 632 R CB -0.517 29.344 30.300 -0.732 0.000 0.867 632 R HN 0.654 nan 8.270 nan 0.000 0.465 633 S N 0.406 115.845 115.700 -0.434 0.000 2.470 633 S HA -0.070 4.402 4.470 0.004 0.000 0.225 633 S C 1.397 175.962 174.600 -0.058 0.000 1.006 633 S CA 0.359 58.452 58.200 -0.178 0.000 0.934 633 S CB -0.137 63.024 63.200 -0.065 0.000 0.778 633 S HN 0.525 nan 8.310 nan 0.000 0.517 634 F N -0.479 119.426 119.950 -0.075 0.000 2.746 634 F HA 0.688 5.217 4.527 0.004 0.000 0.320 634 F C 0.108 175.920 175.800 0.020 0.000 1.097 634 F CA -1.644 56.342 58.000 -0.023 0.000 1.195 634 F CB -0.234 38.759 39.000 -0.012 0.000 1.056 634 F HN 0.321 nan 8.300 nan 0.000 0.562 635 C N 1.896 121.083 119.300 -0.189 0.000 3.046 635 C HA 0.438 4.900 4.460 0.004 0.000 0.388 635 C C -0.708 174.307 174.990 0.041 0.000 1.041 635 C CA -0.997 58.030 59.018 0.014 0.000 1.241 635 C CB 0.955 28.756 27.740 0.102 0.000 1.638 635 C HN 0.420 nan 8.230 nan 0.000 0.539 636 K N 4.885 125.335 120.400 0.083 0.000 2.237 636 K HA 0.263 4.585 4.320 0.004 0.000 0.270 636 K C -1.708 175.022 176.600 0.218 0.000 1.015 636 K CA -0.986 55.362 56.287 0.101 0.000 0.949 636 K CB 1.050 33.592 32.500 0.069 0.000 0.976 636 K HN 0.429 nan 8.250 nan 0.000 0.472 637 P HA -0.232 nan 4.420 nan 0.000 0.214 637 P C 1.026 178.478 177.300 0.253 0.000 1.163 637 P CA 1.301 64.620 63.100 0.365 0.000 0.889 637 P CB 0.242 32.086 31.700 0.239 0.000 0.790 638 Q N -0.521 119.358 119.800 0.132 0.000 2.112 638 Q HA -0.241 4.101 4.340 0.004 0.000 0.206 638 Q C 2.179 178.236 176.000 0.094 0.000 0.987 638 Q CA 1.640 57.493 55.803 0.083 0.000 0.858 638 Q CB -0.813 27.968 28.738 0.071 0.000 0.905 638 Q HN 0.297 nan 8.270 nan 0.000 0.420 639 E N 0.865 121.128 120.200 0.105 0.000 2.106 639 E HA -0.080 4.273 4.350 0.004 0.000 0.192 639 E C 1.883 178.542 176.600 0.098 0.000 0.984 639 E CA 0.459 56.916 56.400 0.094 0.000 0.806 639 E CB -0.386 29.371 29.700 0.096 0.000 0.750 639 E HN 0.270 nan 8.360 nan 0.000 0.458 640 L N -0.002 121.282 121.223 0.102 0.000 2.046 640 L HA -0.143 4.199 4.340 0.004 0.000 0.208 640 L C 2.203 179.130 176.870 0.094 0.000 1.077 640 L CA 1.241 56.095 54.840 0.022 0.000 0.747 640 L CB -0.306 41.586 42.059 -0.277 0.000 0.896 640 L HN 0.313 nan 8.230 nan 0.000 0.432 641 L N -0.592 120.768 121.223 0.228 0.000 2.046 641 L HA -0.170 4.172 4.340 0.004 0.000 0.208 641 L C 2.546 179.414 176.870 -0.004 0.000 1.077 641 L CA 1.835 56.780 54.840 0.175 0.000 0.747 641 L CB -0.576 41.541 42.059 0.096 0.000 0.896 641 L HN 0.122 nan 8.230 nan 0.000 0.432 642 S N -0.468 115.241 115.700 0.015 0.000 2.368 642 S HA -0.145 4.327 4.470 0.004 0.000 0.225 642 S C 1.926 176.541 174.600 0.024 0.000 1.030 642 S CA 1.670 59.869 58.200 -0.002 0.000 0.999 642 S CB -0.424 62.795 63.200 0.033 0.000 0.844 642 S HN 0.456 nan 8.310 nan 0.000 0.459 643 L N 1.435 122.700 121.223 0.069 0.000 2.093 643 L HA -0.078 4.264 4.340 0.004 0.000 0.208 643 L C 2.340 179.245 176.870 0.058 0.000 1.085 643 L CA 1.124 56.055 54.840 0.151 0.000 0.755 643 L CB -0.706 41.466 42.059 0.189 0.000 0.904 643 L HN 0.432 nan 8.230 nan 0.000 0.435 644 I N -2.799 117.741 120.570 -0.049 0.000 2.439 644 I HA -0.193 3.980 4.170 0.004 0.000 0.251 644 I C 2.330 178.359 176.117 -0.147 0.000 1.139 644 I CA 1.287 62.511 61.300 -0.126 0.000 1.438 644 I CB -0.373 37.574 38.000 -0.088 0.000 1.085 644 I HN 0.075 nan 8.210 nan 0.000 0.427 645 I N 1.600 122.000 120.570 -0.283 0.000 2.252 645 I HA -0.236 3.936 4.170 0.004 0.000 0.245 645 I C 2.775 178.884 176.117 -0.013 0.000 1.102 645 I CA 1.631 62.662 61.300 -0.449 0.000 1.385 645 I CB -0.409 37.229 38.000 -0.604 0.000 1.064 645 I HN 0.359 nan 8.210 nan 0.000 0.414 646 E N 1.149 121.386 120.200 0.062 0.000 2.110 646 E HA -0.298 4.054 4.350 0.004 0.000 0.193 646 E C 2.279 179.066 176.600 0.311 0.000 0.988 646 E CA 1.178 57.712 56.400 0.223 0.000 0.804 646 E CB 0.065 29.925 29.700 0.267 0.000 0.745 646 E HN 0.255 nan 8.360 nan 0.000 0.458 647 R N -0.146 120.387 120.500 0.054 0.000 2.081 647 R HA -0.155 4.187 4.340 0.004 0.000 0.235 647 R C 2.087 178.467 176.300 0.133 0.000 1.131 647 R CA 1.560 57.499 56.100 -0.269 0.000 0.960 647 R CB -0.737 29.125 30.300 -0.730 0.000 0.856 647 R HN 0.237 nan 8.270 nan 0.000 0.436 648 F N 1.699 121.660 119.950 0.018 0.000 2.216 648 F HA -0.023 4.507 4.527 0.004 0.000 0.300 648 F C 0.464 176.345 175.800 0.135 0.000 1.085 648 F CA 0.988 59.044 58.000 0.093 0.000 1.326 648 F CB 0.166 39.297 39.000 0.218 0.000 1.027 648 F HN 0.005 nan 8.300 nan 0.000 0.497 649 E N 2.409 122.806 120.200 0.327 0.000 1.852 649 E HA 0.130 4.483 4.350 0.004 0.000 0.276 649 E C -0.273 176.392 176.600 0.108 0.000 1.163 649 E CA 0.122 56.659 56.400 0.228 0.000 1.117 649 E CB -0.499 29.368 29.700 0.277 0.000 1.124 649 E HN 0.400 nan 8.360 nan 0.000 0.458 650 I N 4.266 124.777 120.570 -0.097 0.000 2.325 650 I HA 0.139 4.311 4.170 0.004 0.000 0.291 650 I C -1.674 174.349 176.117 -0.157 0.000 1.019 650 I CA -1.972 59.147 61.300 -0.303 0.000 1.302 650 I CB 0.715 38.526 38.000 -0.314 0.000 1.401 650 I HN 0.005 nan 8.210 nan 0.000 0.485 651 P HA 0.160 nan 4.420 nan 0.000 0.276 651 P C -0.690 176.565 177.300 -0.076 0.000 1.235 651 P CA -0.274 62.779 63.100 -0.078 0.000 0.772 651 P CB 0.778 32.439 31.700 -0.064 0.000 0.871 652 E N 3.945 124.118 120.200 -0.045 0.000 2.366 652 E HA 0.229 4.581 4.350 0.004 0.000 0.266 652 E C -1.651 174.853 176.600 -0.160 0.000 1.051 652 E CA -1.577 54.794 56.400 -0.048 0.000 0.884 652 E CB 0.086 29.784 29.700 -0.004 0.000 1.006 652 E HN 0.483 nan 8.360 nan 0.000 0.417 653 P HA 0.025 nan 4.420 nan 0.000 0.272 653 P C -0.776 176.422 177.300 -0.169 0.000 1.230 653 P CA -0.032 62.886 63.100 -0.302 0.000 0.788 653 P CB 0.705 32.129 31.700 -0.459 0.000 0.949 654 E N 1.644 121.757 120.200 -0.144 0.000 2.373 654 E HA 0.251 4.603 4.350 0.004 0.000 0.263 654 E C -1.993 174.556 176.600 -0.086 0.000 1.073 654 E CA -1.613 54.730 56.400 -0.095 0.000 0.894 654 E CB -0.680 28.971 29.700 -0.082 0.000 1.008 654 E HN 0.378 nan 8.360 nan 0.000 0.420 655 P HA -0.069 nan 4.420 nan 0.000 0.265 655 P C -0.257 177.013 177.300 -0.051 0.000 1.187 655 P CA 0.196 63.266 63.100 -0.050 0.000 0.766 655 P CB 0.366 32.044 31.700 -0.036 0.000 0.820 656 T N -1.062 113.463 114.554 -0.048 0.000 2.732 656 T HA 0.100 4.452 4.350 0.004 0.000 0.287 656 T C 1.248 175.928 174.700 -0.034 0.000 0.993 656 T CA -0.288 61.785 62.100 -0.044 0.000 0.966 656 T CB 0.585 69.429 68.868 -0.041 0.000 1.047 656 T HN 0.288 nan 8.240 nan 0.000 0.527 657 E N 0.563 120.745 120.200 -0.030 0.000 2.085 657 E HA -0.069 4.283 4.350 0.004 0.000 0.194 657 E C 2.293 178.882 176.600 -0.020 0.000 0.994 657 E CA 1.761 58.147 56.400 -0.024 0.000 0.801 657 E CB -0.973 28.715 29.700 -0.021 0.000 0.743 657 E HN 0.769 nan 8.360 nan 0.000 0.453 658 A N 0.728 123.536 122.820 -0.019 0.000 1.933 658 A HA -0.196 4.126 4.320 0.004 0.000 0.218 658 A C 1.865 179.440 177.584 -0.015 0.000 1.175 658 A CA 1.841 53.868 52.037 -0.015 0.000 0.628 658 A CB -0.603 18.389 19.000 -0.013 0.000 0.814 658 A HN 0.265 nan 8.150 nan 0.000 0.444 659 D N -0.335 120.054 120.400 -0.018 0.000 2.097 659 D HA -0.124 4.518 4.640 0.004 0.000 0.197 659 D C 2.191 178.481 176.300 -0.017 0.000 0.984 659 D CA 1.202 55.192 54.000 -0.017 0.000 0.826 659 D CB -0.378 40.409 40.800 -0.021 0.000 0.973 659 D HN 0.444 nan 8.370 nan 0.000 0.460 660 R N 0.368 120.856 120.500 -0.019 0.000 2.091 660 R HA -0.064 4.278 4.340 0.004 0.000 0.238 660 R C 2.592 178.884 176.300 -0.014 0.000 1.136 660 R CA 0.744 56.834 56.100 -0.017 0.000 0.959 660 R CB -0.306 29.982 30.300 -0.019 0.000 0.856 660 R HN 0.250 nan 8.270 nan 0.000 0.437 661 I N 0.497 121.059 120.570 -0.013 0.000 2.226 661 I HA -0.269 3.903 4.170 0.004 0.000 0.245 661 I C 2.608 178.719 176.117 -0.009 0.000 1.100 661 I CA 1.226 62.520 61.300 -0.011 0.000 1.374 661 I CB -0.404 37.590 38.000 -0.010 0.000 1.057 661 I HN 0.218 nan 8.210 nan 0.000 0.413 662 A N 1.214 124.028 122.820 -0.010 0.000 1.855 662 A HA -0.156 4.166 4.320 0.004 0.000 0.215 662 A C 2.288 179.867 177.584 -0.008 0.000 1.191 662 A CA 1.385 53.417 52.037 -0.008 0.000 0.613 662 A CB -0.850 18.146 19.000 -0.008 0.000 0.829 662 A HN 0.340 nan 8.150 nan 0.000 0.442 663 I N -0.301 120.263 120.570 -0.009 0.000 2.194 663 I HA -0.297 3.876 4.170 0.004 0.000 0.246 663 I C 2.505 178.618 176.117 -0.008 0.000 1.093 663 I CA 1.930 63.224 61.300 -0.009 0.000 1.355 663 I CB -0.339 37.655 38.000 -0.011 0.000 1.046 663 I HN 0.539 nan 8.210 nan 0.000 0.413 664 E N 0.856 121.051 120.200 -0.009 0.000 2.338 664 E HA -0.178 4.175 4.350 0.004 0.000 0.197 664 E C 1.165 177.761 176.600 -0.007 0.000 1.007 664 E CA 0.718 57.114 56.400 -0.008 0.000 0.849 664 E CB 0.132 29.827 29.700 -0.009 0.000 0.774 664 E HN 0.474 nan 8.360 nan 0.000 0.506 665 N N -0.553 118.143 118.700 -0.006 0.000 2.230 665 N HA 0.068 4.810 4.740 0.004 0.000 0.202 665 N C 0.583 176.090 175.510 -0.005 0.000 1.119 665 N CA 0.782 53.829 53.050 -0.005 0.000 0.851 665 N CB 1.381 39.865 38.487 -0.005 0.000 0.990 665 N HN 0.272 nan 8.380 nan 0.000 0.497 666 G N 1.639 110.436 108.800 -0.005 0.000 2.143 666 G HA2 -0.232 3.730 3.960 0.004 0.000 0.249 666 G HA3 -0.232 3.730 3.960 0.004 0.000 0.249 666 G C -0.295 174.602 174.900 -0.004 0.000 0.981 666 G CA 0.496 45.594 45.100 -0.005 0.000 0.665 666 G HN 0.522 nan 8.290 nan 0.000 0.528 667 D N -0.776 119.621 120.400 -0.005 0.000 2.467 667 D HA 0.489 5.132 4.640 0.004 0.000 0.245 667 D C 0.006 176.303 176.300 -0.005 0.000 1.038 667 D CA -0.841 53.156 54.000 -0.004 0.000 1.038 667 D CB 0.850 41.648 40.800 -0.004 0.000 1.278 667 D HN 0.227 nan 8.370 nan 0.000 0.564 668 Q N 0.134 119.932 119.800 -0.004 0.000 2.313 668 Q HA 0.257 4.599 4.340 0.004 0.000 0.266 668 Q C -2.206 173.791 176.000 -0.005 0.000 0.989 668 Q CA -1.228 54.572 55.803 -0.004 0.000 0.890 668 Q CB 0.654 29.390 28.738 -0.003 0.000 1.200 668 Q HN 0.180 nan 8.270 nan 0.000 0.396 669 P HA 0.053 nan 4.420 nan 0.000 0.278 669 P C -0.059 177.238 177.300 -0.005 0.000 1.238 669 P CA -0.117 62.978 63.100 -0.007 0.000 0.794 669 P CB 0.761 32.455 31.700 -0.009 0.000 0.955 670 L N 0.701 121.921 121.223 -0.005 0.000 2.156 670 L HA -0.105 4.237 4.340 0.004 0.000 0.208 670 L C 0.654 177.523 176.870 -0.002 0.000 1.095 670 L CA 0.717 55.555 54.840 -0.003 0.000 0.770 670 L CB -0.605 41.453 42.059 -0.003 0.000 0.914 670 L HN 0.437 nan 8.230 nan 0.000 0.439 671 S N -0.252 115.445 115.700 -0.005 0.000 3.559 671 S HA -0.272 4.200 4.470 0.004 0.000 0.369 671 S C 1.422 176.023 174.600 0.001 0.000 0.987 671 S CA 0.389 58.586 58.200 -0.005 0.000 1.187 671 S CB -1.156 62.042 63.200 -0.003 0.000 0.914 671 S HN 0.586 nan 8.310 nan 0.000 0.480 672 A N 0.842 123.663 122.820 0.001 0.000 1.883 672 A HA -0.204 4.119 4.320 0.004 0.000 0.217 672 A C 1.963 179.555 177.584 0.013 0.000 1.186 672 A CA 1.861 53.901 52.037 0.006 0.000 0.624 672 A CB -0.375 18.626 19.000 0.003 0.000 0.822 672 A HN 0.725 nan 8.150 nan 0.000 0.444 673 E N -0.939 119.265 120.200 0.006 0.000 2.106 673 E HA -0.138 4.215 4.350 0.004 0.000 0.192 673 E C 1.971 178.594 176.600 0.037 0.000 0.984 673 E CA 1.026 57.433 56.400 0.012 0.000 0.806 673 E CB -0.238 29.449 29.700 -0.021 0.000 0.750 673 E HN 0.511 nan 8.360 nan 0.000 0.458 674 L N 1.830 123.063 121.223 0.018 0.000 2.012 674 L HA -0.203 4.139 4.340 0.004 0.000 0.210 674 L C 1.847 178.771 176.870 0.089 0.000 1.073 674 L CA 1.906 56.773 54.840 0.045 0.000 0.748 674 L CB -0.158 41.908 42.059 0.011 0.000 0.891 674 L HN -0.110 nan 8.230 nan 0.000 0.431 675 K N -0.863 119.568 120.400 0.051 0.000 2.147 675 K HA -0.192 4.130 4.320 0.004 0.000 0.205 675 K C 2.306 178.933 176.600 0.045 0.000 1.049 675 K CA 1.464 57.775 56.287 0.040 0.000 0.936 675 K CB -0.226 32.287 32.500 0.022 0.000 0.722 675 K HN 0.339 nan 8.250 nan 0.000 0.446 676 R N 0.280 120.816 120.500 0.061 0.000 2.073 676 R HA -0.115 4.227 4.340 0.004 0.000 0.229 676 R C 2.126 178.475 176.300 0.082 0.000 1.120 676 R CA 1.108 57.243 56.100 0.058 0.000 0.967 676 R CB -0.253 30.084 30.300 0.062 0.000 0.862 676 R HN 0.114 nan 8.270 nan 0.000 0.436 677 F N 1.591 121.520 119.950 -0.034 0.000 2.171 677 F HA -0.110 4.420 4.527 0.004 0.000 0.300 677 F C 2.135 177.922 175.800 -0.023 0.000 1.090 677 F CA 1.547 59.521 58.000 -0.044 0.000 1.293 677 F CB -0.002 38.941 39.000 -0.093 0.000 1.013 677 F HN -0.055 nan 8.300 nan 0.000 0.486 678 R N -0.018 120.470 120.500 -0.020 0.000 2.090 678 R HA -0.129 4.213 4.340 0.004 0.000 0.228 678 R C 2.328 178.545 176.300 -0.139 0.000 1.110 678 R CA 1.489 57.526 56.100 -0.105 0.000 0.973 678 R CB -0.323 29.965 30.300 -0.021 0.000 0.869 678 R HN 0.241 nan 8.270 nan 0.000 0.440 679 K N 1.010 121.360 120.400 -0.083 0.000 2.076 679 K HA -0.108 4.214 4.320 0.004 0.000 0.204 679 K C 1.123 177.665 176.600 -0.098 0.000 1.051 679 K CA 1.329 57.572 56.287 -0.073 0.000 0.949 679 K CB 0.300 32.782 32.500 -0.031 0.000 0.726 679 K HN 0.138 nan 8.250 nan 0.000 0.443 680 E N -1.620 118.522 120.200 -0.097 0.000 2.481 680 E HA -0.036 4.317 4.350 0.004 0.000 0.198 680 E C 0.469 176.996 176.600 -0.122 0.000 1.027 680 E CA 0.066 56.420 56.400 -0.075 0.000 0.900 680 E CB 0.469 30.170 29.700 0.001 0.000 0.993 680 E HN 0.308 nan 8.360 nan 0.000 0.482 681 Y N -0.378 119.641 120.300 -0.468 0.000 2.921 681 Y HA 0.202 4.754 4.550 0.004 0.000 0.246 681 Y C 1.670 177.191 175.900 -0.630 0.000 1.030 681 Y CA 0.045 57.733 58.100 -0.686 0.000 1.338 681 Y CB 0.158 37.907 38.460 -1.184 0.000 1.493 681 Y HN -0.157 nan 8.280 nan 0.000 0.452 682 I N 0.941 121.212 120.570 -0.499 0.000 2.142 682 I HA -0.340 3.833 4.170 0.004 0.000 0.240 682 I C 2.441 178.344 176.117 -0.357 0.000 1.078 682 I CA 2.127 63.194 61.300 -0.389 0.000 1.343 682 I CB -0.446 37.370 38.000 -0.307 0.000 1.046 682 I HN 0.396 nan 8.210 nan 0.000 0.405 683 Q N 1.212 120.841 119.800 -0.285 0.000 2.030 683 Q HA -0.176 4.167 4.340 0.004 0.000 0.204 683 Q C -0.627 175.216 176.000 -0.262 0.000 0.986 683 Q CA 2.134 57.799 55.803 -0.231 0.000 0.843 683 Q CB -0.768 27.876 28.738 -0.156 0.000 0.904 683 Q HN 0.311 nan 8.270 nan 0.000 0.420 684 P HA -0.111 nan 4.420 nan 0.000 0.218 684 P C 1.392 178.503 177.300 -0.314 0.000 1.149 684 P CA 1.071 64.008 63.100 -0.272 0.000 0.817 684 P CB -0.010 31.542 31.700 -0.246 0.000 0.785 685 V N 0.596 120.266 119.914 -0.407 0.000 2.358 685 V HA -0.209 3.913 4.120 0.004 0.000 0.246 685 V C 2.848 178.781 176.094 -0.269 0.000 1.047 685 V CA 1.774 63.836 62.300 -0.397 0.000 1.035 685 V CB -1.264 30.228 31.823 -0.552 0.000 0.658 685 V HN 0.125 nan 8.190 nan 0.000 0.452 686 Q N -0.575 119.048 119.800 -0.295 0.000 2.119 686 Q HA -0.111 4.232 4.340 0.004 0.000 0.201 686 Q C 2.333 178.318 176.000 -0.024 0.000 0.972 686 Q CA 1.322 57.004 55.803 -0.202 0.000 0.847 686 Q CB -0.165 28.275 28.738 -0.497 0.000 0.903 686 Q HN 0.531 nan 8.270 nan 0.000 0.433 687 L N 0.075 121.185 121.223 -0.188 0.000 2.046 687 L HA -0.187 4.155 4.340 0.004 0.000 0.208 687 L C 2.458 179.199 176.870 -0.216 0.000 1.077 687 L CA 1.178 55.838 54.840 -0.300 0.000 0.747 687 L CB -0.196 41.593 42.059 -0.451 0.000 0.896 687 L HN 0.137 nan 8.230 nan 0.000 0.432 688 R N -1.027 119.367 120.500 -0.177 0.000 2.115 688 R HA -0.106 4.237 4.340 0.004 0.000 0.230 688 R C 2.194 178.453 176.300 -0.069 0.000 1.111 688 R CA 0.810 56.830 56.100 -0.134 0.000 0.976 688 R CB -0.212 29.984 30.300 -0.174 0.000 0.870 688 R HN 0.154 nan 8.270 nan 0.000 0.445 689 V N 1.081 120.986 119.914 -0.015 0.000 2.307 689 V HA -0.218 3.904 4.120 0.004 0.000 0.245 689 V C 2.156 178.320 176.094 0.117 0.000 1.045 689 V CA 1.601 63.944 62.300 0.072 0.000 1.024 689 V CB -0.294 31.682 31.823 0.256 0.000 0.651 689 V HN 0.305 nan 8.190 nan 0.000 0.449 690 L N 0.147 121.437 121.223 0.112 0.000 2.083 690 L HA -0.188 4.155 4.340 0.004 0.000 0.209 690 L C 2.412 179.317 176.870 0.058 0.000 1.083 690 L CA 1.779 56.660 54.840 0.069 0.000 0.752 690 L CB -0.716 41.347 42.059 0.007 0.000 0.899 690 L HN 0.416 nan 8.230 nan 0.000 0.433 691 N N -0.018 118.697 118.700 0.024 0.000 2.120 691 N HA -0.158 4.584 4.740 0.004 0.000 0.188 691 N C 1.730 177.387 175.510 0.246 0.000 1.024 691 N CA 1.218 54.334 53.050 0.111 0.000 0.852 691 N CB -0.108 38.424 38.487 0.075 0.000 1.003 691 N HN 0.011 nan 8.380 nan 0.000 0.424 692 V N -0.096 119.916 119.914 0.163 0.000 2.343 692 V HA -0.301 3.821 4.120 0.004 0.000 0.247 692 V C 2.492 178.778 176.094 0.320 0.000 1.051 692 V CA 1.559 63.970 62.300 0.185 0.000 1.036 692 V CB -0.693 31.153 31.823 0.038 0.000 0.654 692 V HN 0.504 nan 8.190 nan 0.000 0.451 693 C N -0.564 118.910 119.300 0.289 0.000 2.432 693 C HA -0.163 4.299 4.460 0.004 0.000 0.277 693 C C 2.912 178.056 174.990 0.257 0.000 1.249 693 C CA 1.436 60.654 59.018 0.333 0.000 1.725 693 C CB -1.142 26.729 27.740 0.219 0.000 2.028 693 C HN 0.555 nan 8.230 nan 0.000 0.477 694 R N -0.141 120.454 120.500 0.159 0.000 2.070 694 R HA -0.139 4.203 4.340 0.004 0.000 0.233 694 R C 2.331 178.654 176.300 0.039 0.000 1.137 694 R CA 1.549 57.675 56.100 0.043 0.000 0.945 694 R CB -0.514 29.772 30.300 -0.023 0.000 0.845 694 R HN 0.645 nan 8.270 nan 0.000 0.430 695 H N -1.196 117.974 119.070 0.167 0.000 2.387 695 H HA -0.211 4.348 4.556 0.004 0.000 0.299 695 H C 1.795 177.365 175.328 0.402 0.000 1.090 695 H CA 1.654 57.833 56.048 0.218 0.000 1.332 695 H CB -0.332 29.597 29.762 0.278 0.000 1.386 695 H HN 0.422 nan 8.280 nan 0.000 0.516 696 W N 1.886 123.405 121.300 0.365 0.000 2.333 696 W HA -0.181 4.482 4.660 0.004 0.000 0.316 696 W C 2.268 179.069 176.519 0.469 0.000 1.215 696 W CA 1.175 58.774 57.345 0.423 0.000 1.278 696 W CB -0.784 28.883 29.460 0.344 0.000 1.154 696 W HN -0.113 nan 8.180 nan 0.000 0.486 697 V N 0.348 120.522 119.914 0.433 0.000 2.453 697 V HA -0.243 3.879 4.120 0.004 0.000 0.247 697 V C 2.220 178.418 176.094 0.174 0.000 1.048 697 V CA 2.247 64.650 62.300 0.172 0.000 1.049 697 V CB -0.780 30.947 31.823 -0.160 0.000 0.672 697 V HN 0.117 nan 8.190 nan 0.000 0.457 698 E N -0.562 119.644 120.200 0.010 0.000 2.047 698 E HA -0.173 4.179 4.350 0.004 0.000 0.191 698 E C 1.706 178.170 176.600 -0.227 0.000 0.987 698 E CA 1.421 57.671 56.400 -0.250 0.000 0.799 698 E CB 0.015 29.377 29.700 -0.563 0.000 0.752 698 E HN 0.796 nan 8.360 nan 0.000 0.449 699 H N -2.603 116.562 119.070 0.158 0.000 2.893 699 H HA 0.217 4.775 4.556 0.004 0.000 0.270 699 H C -0.236 174.924 175.328 -0.280 0.000 1.095 699 H CA -0.107 55.911 56.048 -0.049 0.000 1.186 699 H CB 0.723 30.413 29.762 -0.119 0.000 1.562 699 H HN 0.094 nan 8.280 nan 0.000 0.536 700 H N -0.518 118.824 119.070 0.454 0.000 2.924 700 H HA -0.002 4.557 4.556 0.004 0.000 0.229 700 H C 0.227 175.675 175.328 0.201 0.000 1.345 700 H CA -0.233 55.990 56.048 0.290 0.000 1.044 700 H CB -0.075 29.865 29.762 0.295 0.000 2.221 700 H HN 0.279 nan 8.280 nan 0.000 0.574 701 F N 1.828 121.940 119.950 0.269 0.000 2.333 701 F HA -0.214 4.316 4.527 0.004 0.000 0.300 701 F C 2.102 178.046 175.800 0.240 0.000 1.083 701 F CA 0.945 59.132 58.000 0.311 0.000 1.395 701 F CB -0.112 39.008 39.000 0.199 0.000 1.056 701 F HN 0.300 nan 8.300 nan 0.000 0.529 702 Y N -1.363 119.061 120.300 0.207 0.000 2.315 702 Y HA -0.186 4.367 4.550 0.004 0.000 0.288 702 Y C 1.949 177.808 175.900 -0.067 0.000 1.154 702 Y CA 1.138 59.273 58.100 0.058 0.000 1.229 702 Y CB -1.515 37.006 38.460 0.101 0.000 0.980 702 Y HN -0.037 nan 8.280 nan 0.000 0.540 703 D N 0.706 120.810 120.400 -0.494 0.000 2.123 703 D HA -0.162 4.480 4.640 0.004 0.000 0.196 703 D C 1.685 177.636 176.300 -0.581 0.000 0.992 703 D CA 1.539 55.257 54.000 -0.471 0.000 0.833 703 D CB -0.475 40.004 40.800 -0.535 0.000 0.954 703 D HN 0.470 nan 8.370 nan 0.000 0.455 704 F N 1.177 120.853 119.950 -0.457 0.000 2.293 704 F HA 0.053 4.582 4.527 0.004 0.000 0.297 704 F C 2.397 177.904 175.800 -0.487 0.000 1.089 704 F CA 0.516 58.173 58.000 -0.572 0.000 1.377 704 F CB -0.348 38.110 39.000 -0.904 0.000 1.051 704 F HN -0.076 nan 8.300 nan 0.000 0.511 705 E N 0.214 120.211 120.200 -0.340 0.000 2.106 705 E HA -0.137 4.215 4.350 0.004 0.000 0.192 705 E C 2.040 178.616 176.600 -0.040 0.000 0.984 705 E CA 0.832 57.150 56.400 -0.137 0.000 0.806 705 E CB -0.121 29.575 29.700 -0.007 0.000 0.750 705 E HN 0.415 nan 8.360 nan 0.000 0.458 706 R N 0.218 120.695 120.500 -0.038 0.000 2.275 706 R HA 0.038 4.380 4.340 0.004 0.000 0.199 706 R C 0.192 176.483 176.300 -0.016 0.000 0.989 706 R CA 0.404 56.502 56.100 -0.003 0.000 1.016 706 R CB 0.320 30.637 30.300 0.029 0.000 0.918 706 R HN -0.047 nan 8.270 nan 0.000 0.473 707 D N -0.343 120.028 120.400 -0.048 0.000 2.402 707 D HA 0.246 4.889 4.640 0.004 0.000 0.252 707 D C 0.295 176.600 176.300 0.008 0.000 1.294 707 D CA -0.252 53.738 54.000 -0.016 0.000 0.948 707 D CB 1.498 42.272 40.800 -0.042 0.000 1.202 707 D HN 0.004 nan 8.370 nan 0.000 0.561 708 A N 3.520 126.370 122.820 0.049 0.000 1.908 708 A HA -0.244 4.079 4.320 0.004 0.000 0.218 708 A C 1.765 179.425 177.584 0.127 0.000 1.181 708 A CA 1.157 53.238 52.037 0.073 0.000 0.627 708 A CB -0.691 18.354 19.000 0.074 0.000 0.818 708 A HN 0.668 nan 8.150 nan 0.000 0.445 709 Y N -0.082 120.220 120.300 0.002 0.000 2.224 709 Y HA -0.126 4.426 4.550 0.004 0.000 0.289 709 Y C 1.980 177.887 175.900 0.012 0.000 1.146 709 Y CA 1.261 59.366 58.100 0.008 0.000 1.182 709 Y CB -0.522 37.942 38.460 0.006 0.000 0.983 709 Y HN 0.246 nan 8.280 nan 0.000 0.524 710 L N -0.368 120.818 121.223 -0.062 0.000 2.012 710 L HA -0.194 4.148 4.340 0.004 0.000 0.210 710 L C 2.309 179.160 176.870 -0.031 0.000 1.073 710 L CA 1.772 56.526 54.840 -0.143 0.000 0.748 710 L CB -1.105 40.848 42.059 -0.176 0.000 0.891 710 L HN 0.346 nan 8.230 nan 0.000 0.431 711 L N -0.717 120.553 121.223 0.078 0.000 2.027 711 L HA -0.223 4.119 4.340 0.004 0.000 0.206 711 L C 2.497 179.341 176.870 -0.044 0.000 1.074 711 L CA 1.749 56.621 54.840 0.052 0.000 0.745 711 L CB -0.681 41.397 42.059 0.031 0.000 0.898 711 L HN 0.416 nan 8.230 nan 0.000 0.433 712 Q N -0.761 119.025 119.800 -0.022 0.000 2.096 712 Q HA -0.236 4.106 4.340 0.004 0.000 0.204 712 Q C 2.310 178.264 176.000 -0.076 0.000 0.982 712 Q CA 1.950 57.747 55.803 -0.010 0.000 0.850 712 Q CB -0.246 28.552 28.738 0.099 0.000 0.901 712 Q HN 0.514 nan 8.270 nan 0.000 0.422 713 R N -0.200 120.172 120.500 -0.214 0.000 2.092 713 R HA -0.109 4.233 4.340 0.004 0.000 0.231 713 R C 2.193 178.447 176.300 -0.076 0.000 1.119 713 R CA 1.379 57.349 56.100 -0.217 0.000 0.970 713 R CB -0.224 29.833 30.300 -0.405 0.000 0.864 713 R HN 0.235 nan 8.270 nan 0.000 0.440 714 M N 1.343 120.895 119.600 -0.080 0.000 2.132 714 M HA -0.105 4.377 4.480 0.004 0.000 0.263 714 M C 1.482 177.762 176.300 -0.034 0.000 1.065 714 M CA 1.779 57.054 55.300 -0.041 0.000 1.122 714 M CB 0.042 32.531 32.600 -0.184 0.000 1.365 714 M HN 0.002 nan 8.290 nan 0.000 0.411 715 E N -0.418 119.735 120.200 -0.078 0.000 2.110 715 E HA -0.219 4.134 4.350 0.004 0.000 0.193 715 E C 1.972 178.544 176.600 -0.047 0.000 0.988 715 E CA 1.582 57.938 56.400 -0.074 0.000 0.804 715 E CB -0.187 29.476 29.700 -0.062 0.000 0.745 715 E HN 0.636 nan 8.360 nan 0.000 0.458 716 E N -0.029 120.164 120.200 -0.012 0.000 2.107 716 E HA -0.133 4.220 4.350 0.004 0.000 0.191 716 E C 1.618 178.238 176.600 0.034 0.000 0.982 716 E CA 0.516 56.922 56.400 0.010 0.000 0.809 716 E CB -0.069 29.650 29.700 0.031 0.000 0.756 716 E HN 0.168 nan 8.360 nan 0.000 0.459 717 F N 1.484 121.374 119.950 -0.100 0.000 2.051 717 F HA -0.207 4.322 4.527 0.004 0.000 0.296 717 F C 1.792 177.500 175.800 -0.153 0.000 1.122 717 F CA 1.161 59.086 58.000 -0.124 0.000 1.201 717 F CB -0.298 38.614 39.000 -0.147 0.000 0.978 717 F HN -0.056 nan 8.300 nan 0.000 0.472 718 I N 1.074 121.383 120.570 -0.435 0.000 2.248 718 I HA -0.229 3.943 4.170 0.004 0.000 0.248 718 I C 2.675 178.590 176.117 -0.336 0.000 1.107 718 I CA 1.610 62.604 61.300 -0.509 0.000 1.373 718 I CB -2.394 35.447 38.000 -0.265 0.000 1.055 718 I HN 0.370 nan 8.210 nan 0.000 0.418 719 G N 0.054 108.732 108.800 -0.203 0.000 2.650 719 G HA2 -0.139 3.823 3.960 0.004 0.000 0.214 719 G HA3 -0.139 3.823 3.960 0.004 0.000 0.214 719 G C 1.563 176.396 174.900 -0.111 0.000 1.136 719 G CA 1.027 46.050 45.100 -0.128 0.000 0.789 719 G HN 0.507 nan 8.290 nan 0.000 0.536 720 T N -1.947 112.523 114.554 -0.141 0.000 3.044 720 T HA 0.201 4.553 4.350 0.004 0.000 0.250 720 T C 0.851 175.498 174.700 -0.088 0.000 1.081 720 T CA -0.228 61.828 62.100 -0.074 0.000 1.040 720 T CB 0.153 69.019 68.868 -0.005 0.000 0.962 720 T HN -0.116 nan 8.240 nan 0.000 0.506 721 V N 3.213 123.005 119.914 -0.205 0.000 2.425 721 V HA 0.226 4.348 4.120 0.004 0.000 0.276 721 V C 0.677 176.758 176.094 -0.022 0.000 1.017 721 V CA -0.044 62.177 62.300 -0.131 0.000 1.062 721 V CB -0.609 31.049 31.823 -0.275 0.000 0.997 721 V HN 0.433 nan 8.190 nan 0.000 0.476 722 R N 3.011 123.536 120.500 0.041 0.000 2.607 722 R HA 0.777 5.120 4.340 0.004 0.000 0.261 722 R C 0.395 176.728 176.300 0.055 0.000 1.051 722 R CA -0.020 56.102 56.100 0.037 0.000 1.110 722 R CB 1.633 31.955 30.300 0.036 0.000 1.158 722 R HN 0.994 nan 8.270 nan 0.000 0.543 723 G N 0.741 109.564 108.800 0.038 0.000 2.770 723 G HA2 -0.178 3.785 3.960 0.004 0.000 0.686 723 G HA3 -0.178 3.785 3.960 0.004 0.000 0.686 723 G C 0.108 175.032 174.900 0.040 0.000 1.180 723 G CA -0.216 44.908 45.100 0.040 0.000 0.767 723 G HN 0.714 nan 8.290 nan 0.000 0.646 724 K N 0.535 120.953 120.400 0.030 0.000 2.366 724 K HA 0.392 4.715 4.320 0.004 0.000 0.198 724 K C 2.074 178.700 176.600 0.044 0.000 1.044 724 K CA 1.414 57.713 56.287 0.021 0.000 0.973 724 K CB 0.327 32.830 32.500 0.006 0.000 0.767 724 K HN 1.180 nan 8.250 nan 0.000 0.475 725 A N 0.909 123.772 122.820 0.072 0.000 2.252 725 A HA 0.142 4.464 4.320 0.004 0.000 0.207 725 A C 1.544 179.267 177.584 0.233 0.000 1.194 725 A CA 0.461 52.573 52.037 0.124 0.000 0.809 725 A CB -0.250 18.803 19.000 0.088 0.000 0.814 725 A HN 0.336 nan 8.150 nan 0.000 0.482 726 M N -2.561 117.162 119.600 0.204 0.000 2.139 726 M HA 0.140 4.622 4.480 0.004 0.000 0.343 726 M C 1.495 177.919 176.300 0.206 0.000 0.886 726 M CA 0.270 55.755 55.300 0.308 0.000 1.134 726 M CB -0.296 32.441 32.600 0.228 0.000 2.064 726 M HN 0.436 nan 8.290 nan 0.000 0.699 727 K N 1.783 122.230 120.400 0.077 0.000 2.127 727 K HA -0.192 4.130 4.320 0.004 0.000 0.208 727 K C 1.715 178.279 176.600 -0.060 0.000 1.047 727 K CA 1.758 58.045 56.287 0.000 0.000 0.927 727 K CB 0.174 32.658 32.500 -0.027 0.000 0.716 727 K HN 0.257 nan 8.250 nan 0.000 0.450 728 K N -0.584 119.719 120.400 -0.163 0.000 2.032 728 K HA -0.164 4.158 4.320 0.004 0.000 0.209 728 K C 2.044 178.446 176.600 -0.330 0.000 1.048 728 K CA 1.721 57.783 56.287 -0.376 0.000 0.927 728 K CB -0.163 31.876 32.500 -0.769 0.000 0.712 728 K HN 0.348 nan 8.250 nan 0.000 0.441 729 W N 0.471 121.751 121.300 -0.034 0.000 2.476 729 W HA -0.044 4.618 4.660 0.004 0.000 0.281 729 W C 1.972 178.451 176.519 -0.066 0.000 1.230 729 W CA 0.366 57.687 57.345 -0.040 0.000 1.287 729 W CB -0.563 28.886 29.460 -0.019 0.000 1.108 729 W HN -0.128 nan 8.180 nan 0.000 0.567 730 V N 0.555 120.545 119.914 0.126 0.000 2.295 730 V HA -0.297 3.825 4.120 0.004 0.000 0.246 730 V C 2.189 178.261 176.094 -0.036 0.000 1.049 730 V CA 2.268 64.568 62.300 0.000 0.000 1.024 730 V CB -0.845 30.955 31.823 -0.038 0.000 0.648 730 V HN 0.113 nan 8.190 nan 0.000 0.447 731 E N -0.185 119.989 120.200 -0.044 0.000 2.085 731 E HA -0.251 4.102 4.350 0.004 0.000 0.194 731 E C 2.434 178.996 176.600 -0.064 0.000 0.994 731 E CA 1.538 57.900 56.400 -0.064 0.000 0.801 731 E CB -0.190 29.463 29.700 -0.078 0.000 0.743 731 E HN 0.540 nan 8.360 nan 0.000 0.453 732 S N 0.149 115.816 115.700 -0.056 0.000 2.348 732 S HA -0.157 4.316 4.470 0.004 0.000 0.221 732 S C 2.006 176.579 174.600 -0.045 0.000 1.033 732 S CA 1.385 59.556 58.200 -0.049 0.000 1.010 732 S CB -0.326 62.859 63.200 -0.025 0.000 0.891 732 S HN 0.344 nan 8.310 nan 0.000 0.442 733 I N 1.007 121.562 120.570 -0.025 0.000 2.286 733 I HA -0.148 4.024 4.170 0.004 0.000 0.248 733 I C 2.609 178.673 176.117 -0.089 0.000 1.115 733 I CA 1.428 62.696 61.300 -0.054 0.000 1.392 733 I CB -0.855 37.120 38.000 -0.042 0.000 1.065 733 I HN 0.334 nan 8.210 nan 0.000 0.418 734 T N 0.792 115.294 114.554 -0.085 0.000 2.720 734 T HA -0.183 4.169 4.350 0.004 0.000 0.268 734 T C 1.906 176.551 174.700 -0.091 0.000 1.037 734 T CA 1.393 63.437 62.100 -0.092 0.000 1.144 734 T CB -0.114 68.705 68.868 -0.082 0.000 0.864 734 T HN 0.335 nan 8.240 nan 0.000 0.444 735 K N 0.436 120.785 120.400 -0.085 0.000 2.097 735 K HA 0.094 4.416 4.320 0.004 0.000 0.205 735 K C 2.196 178.732 176.600 -0.106 0.000 1.050 735 K CA 0.960 57.195 56.287 -0.086 0.000 0.938 735 K CB -0.228 32.225 32.500 -0.077 0.000 0.718 735 K HN 0.337 nan 8.250 nan 0.000 0.442 736 I N 1.085 121.586 120.570 -0.116 0.000 2.286 736 I HA -0.273 3.899 4.170 0.004 0.000 0.248 736 I C 2.208 178.209 176.117 -0.194 0.000 1.115 736 I CA 1.227 62.438 61.300 -0.148 0.000 1.392 736 I CB -0.276 37.638 38.000 -0.143 0.000 1.065 736 I HN 0.119 nan 8.210 nan 0.000 0.418 737 I N 0.296 120.761 120.570 -0.175 0.000 2.226 737 I HA -0.278 3.894 4.170 0.004 0.000 0.245 737 I C 2.576 178.592 176.117 -0.170 0.000 1.100 737 I CA 1.156 62.345 61.300 -0.186 0.000 1.374 737 I CB -0.386 37.523 38.000 -0.150 0.000 1.057 737 I HN 0.310 nan 8.210 nan 0.000 0.413 738 Q N 0.471 120.195 119.800 -0.127 0.000 2.167 738 Q HA -0.126 4.217 4.340 0.004 0.000 0.202 738 Q C 2.231 178.158 176.000 -0.122 0.000 0.970 738 Q CA 1.220 56.963 55.803 -0.099 0.000 0.855 738 Q CB -0.350 28.343 28.738 -0.074 0.000 0.911 738 Q HN 0.505 nan 8.270 nan 0.000 0.438 739 R N 0.317 120.726 120.500 -0.151 0.000 2.115 739 R HA -0.019 4.324 4.340 0.004 0.000 0.226 739 R C 1.977 178.146 176.300 -0.219 0.000 1.100 739 R CA 0.599 56.607 56.100 -0.153 0.000 0.980 739 R CB 0.152 30.367 30.300 -0.143 0.000 0.875 739 R HN 0.026 nan 8.270 nan 0.000 0.445 740 K N 0.696 120.878 120.400 -0.363 0.000 2.288 740 K HA -0.089 4.233 4.320 0.004 0.000 0.201 740 K C 1.586 177.919 176.600 -0.446 0.000 1.048 740 K CA 1.131 57.038 56.287 -0.634 0.000 0.956 740 K CB 0.167 31.829 32.500 -1.397 0.000 0.746 740 K HN 0.175 nan 8.250 nan 0.000 0.461 741 K N 0.543 120.816 120.400 -0.211 0.000 2.211 741 K HA 0.076 4.399 4.320 0.004 0.000 0.201 741 K C 2.139 178.731 176.600 -0.014 0.000 1.052 741 K CA 0.524 56.800 56.287 -0.018 0.000 0.973 741 K CB 0.019 32.538 32.500 0.032 0.000 0.766 741 K HN 0.172 nan 8.250 nan 0.000 0.466 742 I N -2.178 118.363 120.570 -0.049 0.000 2.406 742 I HA 0.091 4.263 4.170 0.004 0.000 0.249 742 I C 0.839 176.943 176.117 -0.022 0.000 1.122 742 I CA 0.286 61.568 61.300 -0.029 0.000 1.431 742 I CB 0.025 38.002 38.000 -0.038 0.000 1.087 742 I HN -0.061 nan 8.210 nan 0.000 0.424 751 N N 1.628 120.377 118.700 0.081 0.000 2.424 751 N HA 0.209 4.952 4.740 0.004 0.000 0.257 751 N C -0.533 174.925 175.510 -0.086 0.000 1.250 751 N CA -0.057 52.982 53.050 -0.017 0.000 0.946 751 N CB 0.681 39.166 38.487 -0.003 0.000 1.175 751 N HN 0.316 nan 8.380 nan 0.000 0.477 752 I N 1.301 121.779 120.570 -0.154 0.000 2.498 752 I HA 0.260 4.432 4.170 0.004 0.000 0.290 752 I C -0.346 175.566 176.117 -0.342 0.000 1.032 752 I CA -0.443 60.679 61.300 -0.296 0.000 1.073 752 I CB 1.204 38.967 38.000 -0.396 0.000 1.251 752 I HN 0.448 nan 8.210 nan 0.000 0.426 753 T N 6.062 120.389 114.554 -0.379 0.000 2.855 753 T HA 0.684 5.036 4.350 0.004 0.000 0.281 753 T C -0.655 173.803 174.700 -0.404 0.000 1.007 753 T CA -0.226 61.716 62.100 -0.263 0.000 1.009 753 T CB 1.160 69.959 68.868 -0.115 0.000 0.983 753 T HN 0.121 nan 8.240 nan 0.000 0.455 754 F N 1.364 121.322 119.950 0.013 0.000 2.561 754 F HA 0.412 4.942 4.527 0.004 0.000 0.321 754 F C 1.521 177.328 175.800 0.012 0.000 1.065 754 F CA -0.965 57.042 58.000 0.013 0.000 0.934 754 F CB 1.743 40.751 39.000 0.014 0.000 1.215 754 F HN 0.417 nan 8.300 nan 0.000 0.471 755 Q N 0.414 120.379 119.800 0.274 0.000 1.921 755 Q HA -0.092 4.251 4.340 0.004 0.000 0.208 755 Q C 1.125 177.194 176.000 0.115 0.000 0.994 755 Q CA 1.333 57.221 55.803 0.143 0.000 0.857 755 Q CB -0.463 28.343 28.738 0.113 0.000 0.925 755 Q HN 0.612 nan 8.270 nan 0.000 0.421 756 S N -0.654 115.100 115.700 0.090 0.000 2.690 756 S HA 0.303 4.775 4.470 0.004 0.000 0.285 756 S C -0.264 174.355 174.600 0.032 0.000 1.135 756 S CA -0.561 57.664 58.200 0.041 0.000 1.020 756 S CB 1.364 64.565 63.200 0.002 0.000 1.159 756 S HN 0.224 nan 8.310 nan 0.000 0.534 757 S N 1.356 117.056 115.700 0.000 0.000 2.565 757 S HA 0.646 5.118 4.470 0.004 0.000 0.290 757 S C -2.603 171.957 174.600 -0.067 0.000 1.150 757 S CA -1.713 56.482 58.200 -0.009 0.000 1.058 757 S CB 0.757 63.964 63.200 0.011 0.000 1.032 757 S HN 0.626 nan 8.310 nan 0.000 0.510 758 P HA 0.263 nan 4.420 nan 0.000 0.269 758 P C -2.642 174.617 177.300 -0.069 0.000 1.209 758 P CA -1.102 61.930 63.100 -0.113 0.000 0.776 758 P CB -0.459 31.183 31.700 -0.098 0.000 0.876 759 P HA 0.052 nan 4.420 nan 0.000 0.272 759 P C -0.215 177.050 177.300 -0.058 0.000 1.230 759 P CA 0.046 63.108 63.100 -0.064 0.000 0.788 759 P CB 0.186 31.840 31.700 -0.077 0.000 0.949 760 T N 0.997 115.522 114.554 -0.049 0.000 2.916 760 T HA 0.110 4.462 4.350 0.004 0.000 0.303 760 T C 0.514 175.169 174.700 -0.074 0.000 1.025 760 T CA -0.240 61.840 62.100 -0.034 0.000 1.142 760 T CB 0.082 68.943 68.868 -0.012 0.000 0.947 760 T HN 0.113 nan 8.240 nan 0.000 0.544 761 V N 4.499 124.376 119.914 -0.061 0.000 2.599 761 V HA 0.054 4.176 4.120 0.004 0.000 0.300 761 V C 0.803 176.749 176.094 -0.246 0.000 1.034 761 V CA 0.198 62.397 62.300 -0.169 0.000 1.115 761 V CB 0.246 31.999 31.823 -0.116 0.000 0.934 761 V HN 0.784 nan 8.190 nan 0.000 0.485 762 E N 3.609 123.552 120.200 -0.427 0.000 2.191 762 E HA 0.364 4.716 4.350 0.004 0.000 0.278 762 E C -1.279 175.012 176.600 -0.515 0.000 0.972 762 E CA -0.342 55.812 56.400 -0.410 0.000 0.804 762 E CB 1.821 31.136 29.700 -0.641 0.000 1.110 762 E HN 0.631 nan 8.360 nan 0.000 0.394 763 W N 0.398 121.724 121.300 0.043 0.000 2.761 763 W HA 0.240 4.902 4.660 0.004 0.000 0.340 763 W C 0.673 177.327 176.519 0.226 0.000 1.072 763 W CA -0.379 57.028 57.345 0.103 0.000 1.215 763 W CB 1.107 30.599 29.460 0.054 0.000 1.420 763 W HN 0.679 nan 8.180 nan 0.000 0.519 764 H N 0.432 119.671 119.070 0.282 0.000 5.184 764 H HA 0.408 4.967 4.556 0.004 0.000 0.116 764 H C 1.356 176.723 175.328 0.064 0.000 1.337 764 H CA 0.607 56.716 56.048 0.102 0.000 0.532 764 H CB -0.195 29.517 29.762 -0.083 0.000 1.643 764 H HN 0.378 nan 8.280 nan 0.000 0.225 765 I N 0.192 120.464 120.570 -0.498 0.000 2.193 765 I HA -0.064 4.108 4.170 0.004 0.000 0.240 765 I C 0.528 176.555 176.117 -0.150 0.000 1.084 765 I CA 0.679 61.720 61.300 -0.432 0.000 1.365 765 I CB -0.267 37.354 38.000 -0.633 0.000 1.064 765 I HN 0.124 nan 8.210 nan 0.000 0.410 766 S N 2.301 117.972 115.700 -0.048 0.000 2.549 766 S HA 0.206 4.678 4.470 0.004 0.000 0.283 766 S C 0.123 174.843 174.600 0.201 0.000 1.320 766 S CA -0.431 57.845 58.200 0.127 0.000 1.058 766 S CB 0.437 63.785 63.200 0.247 0.000 0.882 766 S HN 0.139 nan 8.310 nan 0.000 0.498 767 R N 1.843 122.410 120.500 0.110 0.000 2.758 767 R HA 0.499 4.841 4.340 0.004 0.000 0.265 767 R C -2.899 173.164 176.300 -0.395 0.000 1.016 767 R CA -2.856 53.156 56.100 -0.146 0.000 1.040 767 R CB -0.758 29.511 30.300 -0.052 0.000 1.152 767 R HN 0.292 nan 8.270 nan 0.000 0.503 768 P HA 0.032 nan 4.420 nan 0.000 0.262 768 P C 0.621 177.693 177.300 -0.379 0.000 1.182 768 P CA 1.177 63.749 63.100 -0.880 0.000 0.761 768 P CB 0.343 31.574 31.700 -0.782 0.000 0.795 769 G N 2.511 111.177 108.800 -0.223 0.000 2.225 769 G HA2 -0.241 3.722 3.960 0.004 0.000 0.254 769 G HA3 -0.241 3.722 3.960 0.004 0.000 0.254 769 G C 0.435 175.077 174.900 -0.430 0.000 0.988 769 G CA -0.288 44.631 45.100 -0.302 0.000 0.625 769 G HN 0.676 nan 8.290 nan 0.000 0.527 770 H N 1.164 120.144 119.070 -0.151 0.000 2.557 770 H HA 0.317 4.875 4.556 0.004 0.000 0.236 770 H C 2.274 177.317 175.328 -0.475 0.000 1.676 770 H CA 0.284 56.219 56.048 -0.188 0.000 1.197 770 H CB -0.602 29.114 29.762 -0.076 0.000 1.604 770 H HN 0.683 nan 8.280 nan 0.000 0.509 771 I N -1.291 118.836 120.570 -0.738 0.000 2.502 771 I HA -0.261 3.912 4.170 0.004 0.000 0.258 771 I C 1.133 176.811 176.117 -0.731 0.000 1.172 771 I CA 1.341 61.807 61.300 -1.390 0.000 1.430 771 I CB -0.001 37.559 38.000 -0.733 0.000 1.086 771 I HN 0.078 nan 8.210 nan 0.000 0.440 772 E N 1.646 121.660 120.200 -0.310 0.000 2.274 772 E HA -0.130 4.223 4.350 0.004 0.000 0.194 772 E C 1.991 178.580 176.600 -0.018 0.000 0.996 772 E CA 1.462 57.800 56.400 -0.103 0.000 0.840 772 E CB -0.702 28.978 29.700 -0.034 0.000 0.772 772 E HN 0.746 nan 8.360 nan 0.000 0.491 773 T N -1.867 112.687 114.554 0.000 0.000 3.060 773 T HA 0.111 4.463 4.350 0.004 0.000 0.249 773 T C 0.217 175.031 174.700 0.190 0.000 1.079 773 T CA -0.507 61.653 62.100 0.100 0.000 1.013 773 T CB -0.283 68.635 68.868 0.083 0.000 0.975 773 T HN -0.130 nan 8.240 nan 0.000 0.518 774 F N 2.985 122.835 119.950 -0.166 0.000 2.608 774 F HA 0.534 5.064 4.527 0.004 0.000 0.380 774 F C 0.835 176.367 175.800 -0.447 0.000 1.083 774 F CA -0.731 56.998 58.000 -0.451 0.000 1.266 774 F CB -0.144 38.324 39.000 -0.888 0.000 1.076 774 F HN 0.245 nan 8.300 nan 0.000 0.574 775 D N 1.053 121.353 120.400 -0.166 0.000 2.725 775 D HA 0.088 4.731 4.640 0.004 0.000 0.292 775 D C 0.561 176.989 176.300 0.214 0.000 1.288 775 D CA -0.619 53.475 54.000 0.156 0.000 0.784 775 D CB 1.115 42.059 40.800 0.241 0.000 1.308 775 D HN 0.305 nan 8.370 nan 0.000 0.429 776 L N 1.138 122.609 121.223 0.413 0.000 2.043 776 L HA -0.042 4.300 4.340 0.004 0.000 0.212 776 L C 1.648 178.594 176.870 0.128 0.000 1.075 776 L CA 1.990 57.030 54.840 0.333 0.000 0.752 776 L CB -0.365 41.748 42.059 0.089 0.000 0.891 776 L HN 0.515 nan 8.230 nan 0.000 0.432 777 L N -1.601 119.635 121.223 0.023 0.000 2.529 777 L HA 0.058 4.401 4.340 0.004 0.000 0.223 777 L C 2.021 178.842 176.870 -0.081 0.000 1.113 777 L CA 0.818 55.635 54.840 -0.039 0.000 0.861 777 L CB -0.691 41.319 42.059 -0.081 0.000 1.012 777 L HN 0.418 nan 8.230 nan 0.000 0.461 778 T N -2.948 111.502 114.554 -0.173 0.000 3.044 778 T HA 0.188 4.541 4.350 0.004 0.000 0.255 778 T C 0.842 175.489 174.700 -0.087 0.000 1.073 778 T CA -0.034 61.902 62.100 -0.273 0.000 1.125 778 T CB 0.029 68.673 68.868 -0.373 0.000 0.908 778 T HN -0.001 nan 8.240 nan 0.000 0.480 779 L N 1.963 123.138 121.223 -0.081 0.000 2.418 779 L HA 0.328 4.670 4.340 0.004 0.000 0.265 779 L C 0.734 177.605 176.870 0.002 0.000 1.143 779 L CA -1.030 53.743 54.840 -0.112 0.000 0.809 779 L CB 0.579 42.505 42.059 -0.223 0.000 1.124 779 L HN 0.331 nan 8.230 nan 0.000 0.456 780 H N 4.670 123.689 119.070 -0.087 0.000 2.803 780 H HA 0.066 4.624 4.556 0.004 0.000 0.330 780 H C -1.733 173.505 175.328 -0.151 0.000 1.057 780 H CA -1.757 54.213 56.048 -0.131 0.000 1.458 780 H CB 1.551 31.215 29.762 -0.163 0.000 1.470 780 H HN 0.333 nan 8.280 nan 0.000 0.560 781 P HA -0.165 nan 4.420 nan 0.000 0.218 781 P C 1.756 179.065 177.300 0.014 0.000 1.148 781 P CA 1.123 64.209 63.100 -0.024 0.000 0.822 781 P CB 0.451 32.078 31.700 -0.122 0.000 0.784 782 I N -0.207 120.471 120.570 0.181 0.000 2.179 782 I HA -0.208 3.965 4.170 0.004 0.000 0.242 782 I C 2.602 178.633 176.117 -0.143 0.000 1.088 782 I CA 1.539 62.800 61.300 -0.064 0.000 1.357 782 I CB -0.611 37.254 38.000 -0.224 0.000 1.051 782 I HN -0.048 nan 8.210 nan 0.000 0.409 783 E N 1.178 121.283 120.200 -0.157 0.000 2.204 783 E HA -0.116 4.236 4.350 0.004 0.000 0.194 783 E C 2.051 178.576 176.600 -0.124 0.000 0.989 783 E CA 0.939 57.214 56.400 -0.210 0.000 0.824 783 E CB -0.118 29.368 29.700 -0.356 0.000 0.756 783 E HN 0.421 nan 8.360 nan 0.000 0.477 784 I N -0.030 120.505 120.570 -0.058 0.000 2.142 784 I HA -0.287 3.885 4.170 0.004 0.000 0.240 784 I C 2.286 178.307 176.117 -0.161 0.000 1.078 784 I CA 1.124 62.420 61.300 -0.006 0.000 1.343 784 I CB -0.448 37.623 38.000 0.119 0.000 1.046 784 I HN 0.148 nan 8.210 nan 0.000 0.405 785 A N 0.796 123.476 122.820 -0.234 0.000 1.908 785 A HA -0.223 4.099 4.320 0.004 0.000 0.218 785 A C 2.387 179.925 177.584 -0.077 0.000 1.181 785 A CA 1.612 53.449 52.037 -0.333 0.000 0.627 785 A CB -0.589 18.108 19.000 -0.505 0.000 0.818 785 A HN 0.321 nan 8.150 nan 0.000 0.445 786 R N -1.023 119.404 120.500 -0.121 0.000 2.062 786 R HA -0.110 4.232 4.340 0.004 0.000 0.231 786 R C 2.496 178.728 176.300 -0.113 0.000 1.136 786 R CA 1.467 57.494 56.100 -0.121 0.000 0.948 786 R CB -0.310 29.910 30.300 -0.134 0.000 0.845 786 R HN 0.500 nan 8.270 nan 0.000 0.430 787 Q N 0.647 120.391 119.800 -0.094 0.000 2.124 787 Q HA -0.116 4.227 4.340 0.004 0.000 0.202 787 Q C 2.253 178.202 176.000 -0.085 0.000 0.977 787 Q CA 1.303 57.073 55.803 -0.054 0.000 0.850 787 Q CB -0.184 28.576 28.738 0.036 0.000 0.901 787 Q HN 0.404 nan 8.270 nan 0.000 0.429 788 L N 0.090 121.225 121.223 -0.145 0.000 2.141 788 L HA -0.132 4.210 4.340 0.004 0.000 0.209 788 L C 2.239 179.078 176.870 -0.052 0.000 1.094 788 L CA 1.096 55.865 54.840 -0.118 0.000 0.763 788 L CB -0.398 41.636 42.059 -0.042 0.000 0.908 788 L HN 0.191 nan 8.230 nan 0.000 0.437 789 T N -0.012 114.508 114.554 -0.056 0.000 2.857 789 T HA -0.090 4.263 4.350 0.004 0.000 0.266 789 T C 1.968 176.487 174.700 -0.301 0.000 1.048 789 T CA 0.914 62.882 62.100 -0.220 0.000 1.139 789 T CB -0.060 68.606 68.868 -0.336 0.000 0.874 789 T HN 0.174 nan 8.240 nan 0.000 0.455 790 L N 0.261 121.351 121.223 -0.222 0.000 2.027 790 L HA -0.046 4.296 4.340 0.004 0.000 0.206 790 L C 2.392 179.220 176.870 -0.069 0.000 1.074 790 L CA 0.776 55.541 54.840 -0.124 0.000 0.745 790 L CB -0.465 41.557 42.059 -0.061 0.000 0.898 790 L HN 0.216 nan 8.230 nan 0.000 0.433 791 L N 0.122 121.290 121.223 -0.091 0.000 1.989 791 L HA -0.246 4.097 4.340 0.004 0.000 0.211 791 L C 2.389 179.162 176.870 -0.161 0.000 1.071 791 L CA 1.899 56.663 54.840 -0.128 0.000 0.749 791 L CB -0.456 41.498 42.059 -0.175 0.000 0.890 791 L HN 0.197 nan 8.230 nan 0.000 0.431 792 E N -1.619 118.488 120.200 -0.154 0.000 2.204 792 E HA -0.189 4.163 4.350 0.004 0.000 0.194 792 E C 2.273 178.899 176.600 0.044 0.000 0.989 792 E CA 1.050 57.402 56.400 -0.080 0.000 0.824 792 E CB -0.094 29.578 29.700 -0.046 0.000 0.756 792 E HN 0.492 nan 8.360 nan 0.000 0.477 793 S N 0.616 116.344 115.700 0.048 0.000 2.355 793 S HA -0.162 4.311 4.470 0.004 0.000 0.222 793 S C 1.488 176.218 174.600 0.216 0.000 1.031 793 S CA 1.290 59.610 58.200 0.200 0.000 0.993 793 S CB -0.118 63.237 63.200 0.259 0.000 0.859 793 S HN 0.176 nan 8.310 nan 0.000 0.453 794 D N 1.313 121.782 120.400 0.115 0.000 2.144 794 D HA -0.041 4.601 4.640 0.004 0.000 0.199 794 D C 1.965 178.308 176.300 0.071 0.000 0.984 794 D CA 0.874 54.927 54.000 0.088 0.000 0.834 794 D CB -0.377 40.448 40.800 0.042 0.000 0.955 794 D HN 0.393 nan 8.370 nan 0.000 0.465 795 L N -0.266 120.985 121.223 0.046 0.000 2.046 795 L HA -0.195 4.148 4.340 0.004 0.000 0.208 795 L C 2.481 179.404 176.870 0.089 0.000 1.077 795 L CA 0.937 55.795 54.840 0.030 0.000 0.747 795 L CB -0.491 41.561 42.059 -0.012 0.000 0.896 795 L HN 0.048 nan 8.230 nan 0.000 0.432 796 Y N 1.136 121.480 120.300 0.073 0.000 2.145 796 Y HA -0.225 4.327 4.550 0.004 0.000 0.286 796 Y C 2.651 178.647 175.900 0.159 0.000 1.145 796 Y CA 1.475 59.671 58.100 0.160 0.000 1.148 796 Y CB -0.173 38.412 38.460 0.209 0.000 0.981 796 Y HN -0.041 nan 8.280 nan 0.000 0.507 797 R N -0.181 120.364 120.500 0.074 0.000 2.237 797 R HA -0.010 4.332 4.340 0.004 0.000 0.219 797 R C 2.047 178.320 176.300 -0.045 0.000 1.080 797 R CA 0.763 56.859 56.100 -0.007 0.000 0.995 797 R CB -0.304 30.073 30.300 0.128 0.000 0.875 797 R HN 0.393 nan 8.270 nan 0.000 0.462 798 A N 0.557 123.355 122.820 -0.035 0.000 2.251 798 A HA 0.117 4.440 4.320 0.004 0.000 0.209 798 A C 0.564 178.101 177.584 -0.077 0.000 1.187 798 A CA -0.084 51.931 52.037 -0.035 0.000 0.823 798 A CB 0.483 19.473 19.000 -0.016 0.000 0.846 798 A HN -0.008 nan 8.150 nan 0.000 0.486 799 V N 2.470 122.304 119.914 -0.132 0.000 2.455 799 V HA 0.143 4.266 4.120 0.004 0.000 0.273 799 V C -0.201 175.833 176.094 -0.100 0.000 1.045 799 V CA -0.368 61.840 62.300 -0.153 0.000 0.976 799 V CB 0.775 32.445 31.823 -0.255 0.000 0.993 799 V HN 0.468 nan 8.190 nan 0.000 0.475 800 Q N 6.060 125.815 119.800 -0.075 0.000 2.214 800 Q HA 0.344 4.687 4.340 0.004 0.000 0.251 800 Q C -1.707 174.281 176.000 -0.020 0.000 0.936 800 Q CA -2.348 53.432 55.803 -0.037 0.000 0.894 800 Q CB 1.150 29.873 28.738 -0.025 0.000 1.252 800 Q HN 0.305 nan 8.270 nan 0.000 0.448 801 P HA -0.187 nan 4.420 nan 0.000 0.216 801 P C 1.267 178.595 177.300 0.047 0.000 1.150 801 P CA 1.839 64.967 63.100 0.047 0.000 0.837 801 P CB 0.195 31.950 31.700 0.092 0.000 0.786 802 S N -0.206 115.508 115.700 0.024 0.000 2.440 802 S HA -0.216 4.256 4.470 0.004 0.000 0.238 802 S C 1.660 176.229 174.600 -0.051 0.000 1.010 802 S CA 1.239 59.406 58.200 -0.054 0.000 0.972 802 S CB -1.176 61.834 63.200 -0.318 0.000 0.774 802 S HN 0.314 nan 8.310 nan 0.000 0.501 803 E N 0.066 120.246 120.200 -0.034 0.000 2.427 803 E HA 0.091 4.443 4.350 0.004 0.000 0.196 803 E C 1.047 177.716 176.600 0.115 0.000 1.028 803 E CA 0.291 56.691 56.400 -0.000 0.000 0.864 803 E CB -0.005 29.658 29.700 -0.063 0.000 0.813 803 E HN 0.405 nan 8.360 nan 0.000 0.514 804 L N -0.213 121.086 121.223 0.127 0.000 2.445 804 L HA 0.099 4.441 4.340 0.004 0.000 0.207 804 L C 0.772 177.835 176.870 0.321 0.000 1.053 804 L CA 0.401 55.399 54.840 0.264 0.000 0.841 804 L CB -0.292 41.835 42.059 0.113 0.000 1.074 804 L HN -0.146 nan 8.230 nan 0.000 0.479 805 V N 1.263 121.267 119.914 0.151 0.000 2.788 805 V HA 0.294 4.416 4.120 0.004 0.000 0.307 805 V C 1.541 177.667 176.094 0.054 0.000 1.069 805 V CA 1.119 63.471 62.300 0.087 0.000 1.173 805 V CB 0.045 31.884 31.823 0.025 0.000 0.925 805 V HN 0.749 nan 8.190 nan 0.000 0.492 806 G N 3.685 112.494 108.800 0.016 0.000 2.168 806 G HA2 -0.291 3.672 3.960 0.004 0.000 0.263 806 G HA3 -0.291 3.672 3.960 0.004 0.000 0.263 806 G C 0.520 175.364 174.900 -0.093 0.000 0.977 806 G CA 0.534 45.611 45.100 -0.038 0.000 0.659 806 G HN 1.515 nan 8.290 nan 0.000 0.533 807 S N -2.586 113.059 115.700 -0.091 0.000 3.587 807 S HA -0.348 4.124 4.470 0.004 0.000 0.337 807 S C 2.100 176.397 174.600 -0.504 0.000 1.119 807 S CA 1.555 59.460 58.200 -0.492 0.000 0.976 807 S CB -2.096 60.795 63.200 -0.515 0.000 0.922 807 S HN 2.205 nan 8.310 nan 0.000 0.503 808 V N -1.239 118.588 119.914 -0.145 0.000 2.688 808 V HA -0.168 3.954 4.120 0.004 0.000 0.256 808 V C 1.871 177.937 176.094 -0.047 0.000 1.084 808 V CA 2.024 64.274 62.300 -0.084 0.000 1.103 808 V CB -1.285 30.538 31.823 -0.001 0.000 0.688 808 V HN 0.902 nan 8.190 nan 0.000 0.480 809 W N 2.171 123.448 121.300 -0.038 0.000 2.825 809 W HA 0.131 4.793 4.660 0.004 0.000 0.243 809 W C 1.808 178.310 176.519 -0.028 0.000 1.293 809 W CA 1.016 58.336 57.345 -0.042 0.000 1.403 809 W CB -1.152 28.276 29.460 -0.052 0.000 1.134 809 W HN 0.318 nan 8.180 nan 0.000 0.666 810 T N -2.820 111.363 114.554 -0.618 0.000 3.069 810 T HA 0.235 4.587 4.350 0.004 0.000 0.252 810 T C 0.736 175.291 174.700 -0.242 0.000 1.053 810 T CA -0.328 61.494 62.100 -0.464 0.000 0.964 810 T CB -0.059 68.426 68.868 -0.638 0.000 1.005 810 T HN -0.194 nan 8.240 nan 0.000 0.532 811 K N 1.610 121.895 120.400 -0.192 0.000 2.132 811 K HA 0.406 4.729 4.320 0.004 0.000 0.241 811 K C 1.126 177.684 176.600 -0.069 0.000 1.000 811 K CA -0.676 55.539 56.287 -0.121 0.000 0.911 811 K CB 0.937 33.369 32.500 -0.113 0.000 1.093 811 K HN 0.134 nan 8.250 nan 0.000 0.460 812 E N 0.679 120.847 120.200 -0.054 0.000 2.171 812 E HA -0.205 4.147 4.350 0.004 0.000 0.197 812 E C -0.040 176.546 176.600 -0.025 0.000 0.997 812 E CA 1.358 57.737 56.400 -0.034 0.000 0.810 812 E CB 0.141 29.823 29.700 -0.030 0.000 0.738 812 E HN 0.377 nan 8.360 nan 0.000 0.467 813 D N -0.020 120.362 120.400 -0.028 0.000 2.358 813 D HA -0.022 4.620 4.640 0.004 0.000 0.224 813 D C 1.414 177.707 176.300 -0.013 0.000 1.123 813 D CA 0.152 54.140 54.000 -0.020 0.000 0.833 813 D CB 0.119 40.905 40.800 -0.023 0.000 0.946 813 D HN 0.272 nan 8.370 nan 0.000 0.505 814 K N 0.760 121.155 120.400 -0.007 0.000 2.113 814 K HA -0.176 4.147 4.320 0.004 0.000 0.208 814 K C 1.212 177.825 176.600 0.021 0.000 1.047 814 K CA 1.040 57.339 56.287 0.019 0.000 0.928 814 K CB -0.026 32.496 32.500 0.038 0.000 0.716 814 K HN -0.001 nan 8.250 nan 0.000 0.446 815 E N 0.815 121.022 120.200 0.011 0.000 2.150 815 E HA -0.102 4.250 4.350 0.004 0.000 0.193 815 E C 2.111 178.709 176.600 -0.002 0.000 0.985 815 E CA 1.072 57.475 56.400 0.006 0.000 0.814 815 E CB -0.104 29.598 29.700 0.004 0.000 0.752 815 E HN 0.523 nan 8.360 nan 0.000 0.466 816 I N 1.237 121.803 120.570 -0.006 0.000 2.400 816 I HA -0.150 4.023 4.170 0.004 0.000 0.248 816 I C 1.852 177.956 176.117 -0.022 0.000 1.109 816 I CA 0.558 61.851 61.300 -0.012 0.000 1.425 816 I CB -0.060 37.933 38.000 -0.013 0.000 1.094 816 I HN -0.036 nan 8.210 nan 0.000 0.425 817 N N 0.053 118.742 118.700 -0.019 0.000 2.415 817 N HA 0.021 4.763 4.740 0.004 0.000 0.176 817 N C 0.575 176.072 175.510 -0.021 0.000 1.042 817 N CA 0.707 53.739 53.050 -0.030 0.000 0.902 817 N CB 0.367 38.840 38.487 -0.023 0.000 0.986 817 N HN 0.113 nan 8.380 nan 0.000 0.447 818 S N 0.929 116.631 115.700 0.003 0.000 2.740 818 S HA 0.195 4.668 4.470 0.004 0.000 0.244 818 S C -1.761 172.822 174.600 -0.028 0.000 1.101 818 S CA -0.846 57.355 58.200 0.000 0.000 1.123 818 S CB 1.408 64.658 63.200 0.082 0.000 1.012 818 S HN 0.197 nan 8.310 nan 0.000 0.491 819 P HA -0.149 nan 4.420 nan 0.000 0.216 819 P C 0.875 178.144 177.300 -0.052 0.000 1.153 819 P CA 1.386 64.466 63.100 -0.033 0.000 0.858 819 P CB 0.071 31.756 31.700 -0.025 0.000 0.789 820 N N -0.145 118.512 118.700 -0.072 0.000 2.188 820 N HA -0.097 4.646 4.740 0.004 0.000 0.184 820 N C 1.970 177.391 175.510 -0.147 0.000 1.018 820 N CA 0.633 53.628 53.050 -0.090 0.000 0.858 820 N CB -0.994 37.439 38.487 -0.090 0.000 0.989 820 N HN 0.129 nan 8.380 nan 0.000 0.426 821 L N 1.459 122.559 121.223 -0.206 0.000 2.017 821 L HA -0.031 4.312 4.340 0.004 0.000 0.208 821 L C 2.052 178.788 176.870 -0.224 0.000 1.073 821 L CA 1.299 55.935 54.840 -0.341 0.000 0.745 821 L CB -0.537 41.274 42.059 -0.414 0.000 0.894 821 L HN 0.062 nan 8.230 nan 0.000 0.432 822 L N -0.867 120.285 121.223 -0.118 0.000 2.141 822 L HA -0.194 4.149 4.340 0.004 0.000 0.209 822 L C 2.578 179.426 176.870 -0.037 0.000 1.094 822 L CA 1.192 55.999 54.840 -0.056 0.000 0.763 822 L CB -0.612 41.440 42.059 -0.012 0.000 0.908 822 L HN 0.256 nan 8.230 nan 0.000 0.437 823 K N -0.085 120.291 120.400 -0.040 0.000 2.057 823 K HA -0.223 4.100 4.320 0.004 0.000 0.207 823 K C 2.164 178.771 176.600 0.011 0.000 1.049 823 K CA 1.702 57.982 56.287 -0.012 0.000 0.931 823 K CB -0.170 32.319 32.500 -0.019 0.000 0.714 823 K HN 0.250 nan 8.250 nan 0.000 0.440 824 M N 0.991 120.575 119.600 -0.027 0.000 2.086 824 M HA -0.195 4.288 4.480 0.004 0.000 0.261 824 M C 1.926 178.261 176.300 0.059 0.000 1.067 824 M CA 1.743 57.050 55.300 0.013 0.000 1.116 824 M CB -0.117 32.455 32.600 -0.047 0.000 1.348 824 M HN 0.078 nan 8.290 nan 0.000 0.407 825 I N -0.144 120.422 120.570 -0.007 0.000 2.226 825 I HA -0.294 3.878 4.170 0.004 0.000 0.245 825 I C 2.477 178.624 176.117 0.050 0.000 1.100 825 I CA 1.385 62.698 61.300 0.021 0.000 1.374 825 I CB -0.480 37.509 38.000 -0.019 0.000 1.057 825 I HN 0.335 nan 8.210 nan 0.000 0.413 826 R N -0.393 120.132 120.500 0.041 0.000 2.120 826 R HA -0.219 4.124 4.340 0.004 0.000 0.234 826 R C 2.352 178.675 176.300 0.038 0.000 1.123 826 R CA 1.495 57.618 56.100 0.037 0.000 0.975 826 R CB -0.484 29.832 30.300 0.026 0.000 0.866 826 R HN 0.452 nan 8.270 nan 0.000 0.446 827 H N -0.081 118.988 119.070 -0.002 0.000 2.357 827 H HA -0.023 4.535 4.556 0.004 0.000 0.301 827 H C 1.648 176.983 175.328 0.011 0.000 1.082 827 H CA 2.096 58.140 56.048 -0.006 0.000 1.342 827 H CB -0.068 29.689 29.762 -0.009 0.000 1.389 827 H HN -0.036 nan 8.280 nan 0.000 0.511 828 T N -0.514 114.008 114.554 -0.053 0.000 2.746 828 T HA -0.161 4.191 4.350 0.004 0.000 0.267 828 T C 1.919 176.593 174.700 -0.042 0.000 1.039 828 T CA 1.913 63.986 62.100 -0.045 0.000 1.142 828 T CB -0.525 68.408 68.868 0.109 0.000 0.866 828 T HN 0.479 nan 8.240 nan 0.000 0.444 829 T N 1.900 116.456 114.554 0.003 0.000 2.708 829 T HA -0.099 4.254 4.350 0.004 0.000 0.266 829 T C 2.040 176.747 174.700 0.012 0.000 1.037 829 T CA 1.261 63.384 62.100 0.037 0.000 1.146 829 T CB -0.461 68.438 68.868 0.051 0.000 0.865 829 T HN 0.291 nan 8.240 nan 0.000 0.435 830 N N 0.649 119.314 118.700 -0.057 0.000 2.166 830 N HA -0.020 4.723 4.740 0.004 0.000 0.186 830 N C 1.529 176.990 175.510 -0.081 0.000 1.019 830 N CA 0.516 53.521 53.050 -0.074 0.000 0.856 830 N CB -0.330 38.084 38.487 -0.122 0.000 0.993 830 N HN 0.143 nan 8.380 nan 0.000 0.426 831 L N 0.051 121.157 121.223 -0.195 0.000 2.109 831 L HA 0.004 4.346 4.340 0.004 0.000 0.207 831 L C 1.836 178.658 176.870 -0.079 0.000 1.086 831 L CA 1.506 56.215 54.840 -0.217 0.000 0.760 831 L CB -0.874 40.976 42.059 -0.348 0.000 0.910 831 L HN 0.114 nan 8.230 nan 0.000 0.437 832 T N -0.342 114.260 114.554 0.080 0.000 2.777 832 T HA -0.141 4.211 4.350 0.004 0.000 0.266 832 T C 1.923 176.782 174.700 0.264 0.000 1.040 832 T CA 1.665 63.913 62.100 0.247 0.000 1.141 832 T CB -0.248 68.738 68.868 0.196 0.000 0.868 832 T HN 0.261 nan 8.240 nan 0.000 0.444 833 L N -0.909 120.450 121.223 0.227 0.000 2.093 833 L HA -0.020 4.323 4.340 0.004 0.000 0.208 833 L C 2.429 179.515 176.870 0.360 0.000 1.085 833 L CA 1.094 56.124 54.840 0.318 0.000 0.755 833 L CB -0.466 41.796 42.059 0.338 0.000 0.904 833 L HN 0.372 nan 8.230 nan 0.000 0.435 834 W N 0.799 122.131 121.300 0.055 0.000 2.358 834 W HA -0.222 4.440 4.660 0.004 0.000 0.303 834 W C 2.224 178.816 176.519 0.122 0.000 1.208 834 W CA 1.296 58.660 57.345 0.032 0.000 1.274 834 W CB -0.335 29.046 29.460 -0.131 0.000 1.138 834 W HN -0.013 nan 8.180 nan 0.000 0.515 835 F N 1.074 121.129 119.950 0.174 0.000 2.134 835 F HA -0.163 4.367 4.527 0.004 0.000 0.299 835 F C 2.351 178.129 175.800 -0.037 0.000 1.097 835 F CA 2.016 59.995 58.000 -0.035 0.000 1.264 835 F CB -1.306 37.752 39.000 0.096 0.000 1.001 835 F HN -0.012 nan 8.300 nan 0.000 0.479 836 E N -0.013 120.339 120.200 0.253 0.000 2.077 836 E HA -0.245 4.108 4.350 0.004 0.000 0.193 836 E C 2.209 178.859 176.600 0.083 0.000 0.989 836 E CA 1.279 57.771 56.400 0.153 0.000 0.800 836 E CB -0.215 29.583 29.700 0.164 0.000 0.746 836 E HN 0.324 nan 8.360 nan 0.000 0.452 837 K N 0.630 121.110 120.400 0.134 0.000 2.057 837 K HA -0.143 4.179 4.320 0.004 0.000 0.206 837 K C 2.172 178.791 176.600 0.031 0.000 1.050 837 K CA 1.373 57.741 56.287 0.135 0.000 0.935 837 K CB -0.133 32.567 32.500 0.333 0.000 0.715 837 K HN 0.154 nan 8.250 nan 0.000 0.439 838 C N 0.692 119.941 119.300 -0.084 0.000 2.413 838 C HA -0.087 4.376 4.460 0.004 0.000 0.277 838 C C 2.481 177.443 174.990 -0.047 0.000 1.265 838 C CA 0.533 59.476 59.018 -0.125 0.000 1.752 838 C CB -0.726 26.809 27.740 -0.341 0.000 1.998 838 C HN 0.487 nan 8.230 nan 0.000 0.489 839 I N 1.312 121.853 120.570 -0.047 0.000 2.162 839 I HA -0.144 4.029 4.170 0.004 0.000 0.238 839 I C 2.508 178.570 176.117 -0.092 0.000 1.076 839 I CA 1.859 63.121 61.300 -0.063 0.000 1.353 839 I CB -0.652 37.315 38.000 -0.056 0.000 1.063 839 I HN 0.294 nan 8.210 nan 0.000 0.408 840 V N -1.667 118.187 119.914 -0.101 0.000 2.970 840 V HA -0.112 4.010 4.120 0.004 0.000 0.260 840 V C 1.715 177.698 176.094 -0.185 0.000 1.100 840 V CA 1.448 63.648 62.300 -0.166 0.000 1.122 840 V CB -0.774 30.926 31.823 -0.205 0.000 0.721 840 V HN 0.420 nan 8.190 nan 0.000 0.483 841 E N 0.486 120.621 120.200 -0.109 0.000 2.489 841 E HA 0.066 4.418 4.350 0.004 0.000 0.193 841 E C 0.268 176.801 176.600 -0.112 0.000 1.057 841 E CA 0.404 56.756 56.400 -0.080 0.000 0.866 841 E CB 0.156 29.876 29.700 0.033 0.000 0.916 841 E HN 0.570 nan 8.360 nan 0.000 0.500 842 T N 1.563 116.047 114.554 -0.117 0.000 3.151 842 T HA 0.117 4.469 4.350 0.004 0.000 0.332 842 T C 0.707 175.282 174.700 -0.209 0.000 1.245 842 T CA -0.126 61.899 62.100 -0.125 0.000 1.019 842 T CB 0.634 69.501 68.868 -0.001 0.000 1.109 842 T HN 0.105 nan 8.240 nan 0.000 0.621 843 E N 1.876 121.894 120.200 -0.303 0.000 2.110 843 E HA -0.090 4.263 4.350 0.004 0.000 0.193 843 E C 1.245 177.629 176.600 -0.360 0.000 0.988 843 E CA 0.405 56.475 56.400 -0.550 0.000 0.804 843 E CB 0.141 29.376 29.700 -0.775 0.000 0.745 843 E HN 0.493 nan 8.360 nan 0.000 0.458 844 N N 1.621 120.244 118.700 -0.128 0.000 2.447 844 N HA -0.088 4.655 4.740 0.004 0.000 0.263 844 N C 0.949 176.443 175.510 -0.027 0.000 1.226 844 N CA -0.139 52.913 53.050 0.002 0.000 0.906 844 N CB 1.114 39.600 38.487 -0.002 0.000 1.060 844 N HN 0.014 nan 8.380 nan 0.000 0.468 845 L N 5.169 126.396 121.223 0.005 0.000 1.990 845 L HA -0.176 4.166 4.340 0.004 0.000 0.213 845 L C 2.276 179.128 176.870 -0.029 0.000 1.072 845 L CA 1.985 56.811 54.840 -0.024 0.000 0.755 845 L CB -0.865 41.188 42.059 -0.010 0.000 0.889 845 L HN 0.770 nan 8.230 nan 0.000 0.432 846 E N -0.694 119.500 120.200 -0.011 0.000 2.085 846 E HA -0.268 4.085 4.350 0.004 0.000 0.194 846 E C 1.976 178.576 176.600 0.000 0.000 0.994 846 E CA 1.726 58.121 56.400 -0.009 0.000 0.801 846 E CB -0.142 29.558 29.700 -0.000 0.000 0.743 846 E HN 0.700 nan 8.360 nan 0.000 0.453 847 E N 0.032 120.246 120.200 0.023 0.000 2.106 847 E HA -0.198 4.155 4.350 0.004 0.000 0.192 847 E C 2.279 178.912 176.600 0.054 0.000 0.984 847 E CA 0.702 57.150 56.400 0.081 0.000 0.806 847 E CB -0.148 29.642 29.700 0.151 0.000 0.750 847 E HN 0.159 nan 8.360 nan 0.000 0.458 848 R N 0.991 121.487 120.500 -0.006 0.000 2.096 848 R HA -0.130 4.212 4.340 0.004 0.000 0.235 848 R C 2.244 178.485 176.300 -0.098 0.000 1.127 848 R CA 0.937 57.002 56.100 -0.057 0.000 0.968 848 R CB -0.118 30.116 30.300 -0.110 0.000 0.861 848 R HN 0.002 nan 8.270 nan 0.000 0.440 849 V N 0.905 120.762 119.914 -0.095 0.000 2.343 849 V HA -0.238 3.885 4.120 0.004 0.000 0.247 849 V C 2.411 178.450 176.094 -0.091 0.000 1.051 849 V CA 1.959 64.189 62.300 -0.117 0.000 1.036 849 V CB -0.633 31.140 31.823 -0.083 0.000 0.654 849 V HN 0.569 nan 8.190 nan 0.000 0.451 850 A N -0.535 122.253 122.820 -0.053 0.000 1.969 850 A HA -0.134 4.189 4.320 0.004 0.000 0.218 850 A C 2.366 179.911 177.584 -0.065 0.000 1.169 850 A CA 1.908 53.916 52.037 -0.048 0.000 0.635 850 A CB -0.521 18.466 19.000 -0.021 0.000 0.810 850 A HN 0.348 nan 8.150 nan 0.000 0.445 851 V N -0.598 119.280 119.914 -0.059 0.000 2.307 851 V HA -0.198 3.924 4.120 0.004 0.000 0.245 851 V C 2.566 178.598 176.094 -0.103 0.000 1.045 851 V CA 1.872 64.130 62.300 -0.070 0.000 1.024 851 V CB -0.681 31.121 31.823 -0.036 0.000 0.651 851 V HN 0.359 nan 8.190 nan 0.000 0.449 852 V N -0.439 119.395 119.914 -0.133 0.000 2.343 852 V HA -0.272 3.850 4.120 0.004 0.000 0.247 852 V C 2.684 178.704 176.094 -0.122 0.000 1.051 852 V CA 2.421 64.625 62.300 -0.159 0.000 1.036 852 V CB -0.646 31.012 31.823 -0.276 0.000 0.654 852 V HN 0.599 nan 8.190 nan 0.000 0.451 853 S N -0.598 115.037 115.700 -0.108 0.000 2.370 853 S HA -0.265 4.207 4.470 0.004 0.000 0.226 853 S C 2.174 176.717 174.600 -0.094 0.000 1.033 853 S CA 1.996 60.145 58.200 -0.085 0.000 1.011 853 S CB -0.261 62.895 63.200 -0.074 0.000 0.852 853 S HN 0.492 nan 8.310 nan 0.000 0.457 854 R N 1.045 121.485 120.500 -0.100 0.000 2.081 854 R HA 0.119 4.462 4.340 0.004 0.000 0.235 854 R C 2.076 178.299 176.300 -0.128 0.000 1.131 854 R CA 1.693 57.730 56.100 -0.106 0.000 0.960 854 R CB -0.754 29.493 30.300 -0.088 0.000 0.856 854 R HN 0.550 nan 8.270 nan 0.000 0.436 855 I N -0.140 120.334 120.570 -0.160 0.000 2.226 855 I HA -0.264 3.909 4.170 0.004 0.000 0.245 855 I C 2.005 177.975 176.117 -0.245 0.000 1.100 855 I CA 1.283 62.415 61.300 -0.279 0.000 1.374 855 I CB -0.244 37.517 38.000 -0.398 0.000 1.057 855 I HN 0.155 nan 8.210 nan 0.000 0.413 856 I N 0.500 120.978 120.570 -0.153 0.000 2.394 856 I HA -0.245 3.927 4.170 0.004 0.000 0.251 856 I C 2.355 178.409 176.117 -0.106 0.000 1.136 856 I CA 1.346 62.585 61.300 -0.101 0.000 1.425 856 I CB -0.337 37.635 38.000 -0.047 0.000 1.079 856 I HN 0.255 nan 8.210 nan 0.000 0.425 857 E N 0.871 121.000 120.200 -0.118 0.000 2.106 857 E HA -0.170 4.183 4.350 0.004 0.000 0.192 857 E C 2.294 178.793 176.600 -0.170 0.000 0.984 857 E CA 1.063 57.391 56.400 -0.119 0.000 0.806 857 E CB 0.003 29.635 29.700 -0.113 0.000 0.750 857 E HN 0.492 nan 8.360 nan 0.000 0.458 858 I N 0.904 121.339 120.570 -0.225 0.000 2.286 858 I HA -0.252 3.921 4.170 0.004 0.000 0.248 858 I C 2.427 178.249 176.117 -0.492 0.000 1.115 858 I CA 0.448 61.517 61.300 -0.385 0.000 1.392 858 I CB -0.131 37.654 38.000 -0.358 0.000 1.065 858 I HN 0.161 nan 8.210 nan 0.000 0.418 859 L N 0.759 121.836 121.223 -0.243 0.000 2.042 859 L HA -0.279 4.063 4.340 0.004 0.000 0.210 859 L C 2.487 179.354 176.870 -0.006 0.000 1.076 859 L CA 1.945 56.772 54.840 -0.021 0.000 0.749 859 L CB -0.889 41.172 42.059 0.003 0.000 0.893 859 L HN 0.268 nan 8.230 nan 0.000 0.432 860 Q N -1.069 118.693 119.800 -0.063 0.000 2.135 860 Q HA -0.179 4.163 4.340 0.004 0.000 0.204 860 Q C 2.031 178.003 176.000 -0.047 0.000 0.981 860 Q CA 2.340 58.119 55.803 -0.040 0.000 0.856 860 Q CB -0.048 28.659 28.738 -0.052 0.000 0.902 860 Q HN 0.511 nan 8.270 nan 0.000 0.425 861 V N 0.278 120.123 119.914 -0.114 0.000 2.453 861 V HA -0.192 3.930 4.120 0.004 0.000 0.247 861 V C 1.901 177.982 176.094 -0.020 0.000 1.048 861 V CA 1.214 63.449 62.300 -0.108 0.000 1.049 861 V CB -0.635 31.077 31.823 -0.185 0.000 0.672 861 V HN 0.332 nan 8.190 nan 0.000 0.457 862 F N 0.592 120.499 119.950 -0.072 0.000 2.126 862 F HA -0.208 4.321 4.527 0.004 0.000 0.299 862 F C 2.579 178.294 175.800 -0.141 0.000 1.096 862 F CA 1.681 59.623 58.000 -0.097 0.000 1.255 862 F CB -0.925 38.035 39.000 -0.067 0.000 0.997 862 F HN 0.179 nan 8.300 nan 0.000 0.479 863 Q N 0.052 119.906 119.800 0.090 0.000 2.084 863 Q HA -0.207 4.136 4.340 0.004 0.000 0.202 863 Q C 2.037 178.007 176.000 -0.049 0.000 0.978 863 Q CA 1.704 57.493 55.803 -0.024 0.000 0.844 863 Q CB -0.085 28.668 28.738 0.024 0.000 0.898 863 Q HN 0.474 nan 8.270 nan 0.000 0.426 864 E N -0.034 120.159 120.200 -0.012 0.000 2.150 864 E HA -0.146 4.207 4.350 0.004 0.000 0.193 864 E C 1.607 178.206 176.600 -0.001 0.000 0.985 864 E CA 0.752 57.147 56.400 -0.010 0.000 0.814 864 E CB 0.082 29.776 29.700 -0.011 0.000 0.752 864 E HN 0.367 nan 8.360 nan 0.000 0.466 865 L N 0.674 121.905 121.223 0.014 0.000 2.591 865 L HA 0.078 4.420 4.340 0.004 0.000 0.228 865 L C 0.035 176.937 176.870 0.054 0.000 1.133 865 L CA -0.188 54.700 54.840 0.081 0.000 0.880 865 L CB -0.122 41.984 42.059 0.079 0.000 1.033 865 L HN 0.095 nan 8.230 nan 0.000 0.450 866 N N 0.818 119.423 118.700 -0.158 0.000 2.747 866 N HA -0.214 4.529 4.740 0.004 0.000 0.249 866 N C 0.050 175.235 175.510 -0.542 0.000 1.107 866 N CA 0.628 53.394 53.050 -0.474 0.000 0.707 866 N CB -1.532 36.840 38.487 -0.191 0.000 1.054 866 N HN 0.323 nan 8.380 nan 0.000 0.555 867 N N 0.681 119.163 118.700 -0.364 0.000 2.868 867 N HA 0.187 4.929 4.740 0.004 0.000 0.252 867 N C 0.704 175.999 175.510 -0.359 0.000 1.130 867 N CA -0.350 52.527 53.050 -0.288 0.000 1.026 867 N CB -0.367 37.961 38.487 -0.266 0.000 1.335 867 N HN 0.065 nan 8.380 nan 0.000 0.516 868 F N 1.461 121.398 119.950 -0.021 0.000 2.171 868 F HA -0.078 4.451 4.527 0.004 0.000 0.300 868 F C 2.180 177.944 175.800 -0.060 0.000 1.090 868 F CA 0.739 58.751 58.000 0.021 0.000 1.293 868 F CB -0.535 38.586 39.000 0.202 0.000 1.013 868 F HN 0.440 nan 8.300 nan 0.000 0.486 869 N N 0.385 119.140 118.700 0.092 0.000 2.120 869 N HA -0.124 4.618 4.740 0.004 0.000 0.188 869 N C 2.189 177.627 175.510 -0.120 0.000 1.024 869 N CA 1.631 54.721 53.050 0.066 0.000 0.852 869 N CB -0.681 37.861 38.487 0.091 0.000 1.003 869 N HN 0.195 nan 8.380 nan 0.000 0.424 870 G N -0.016 108.522 108.800 -0.436 0.000 2.421 870 G HA2 -0.198 3.764 3.960 0.004 0.000 0.216 870 G HA3 -0.198 3.764 3.960 0.004 0.000 0.216 870 G C 1.591 176.223 174.900 -0.448 0.000 1.171 870 G CA 1.085 45.594 45.100 -0.985 0.000 0.775 870 G HN 0.244 nan 8.290 nan 0.000 0.543 871 V N 1.118 120.903 119.914 -0.215 0.000 2.287 871 V HA -0.175 3.947 4.120 0.004 0.000 0.248 871 V C 2.908 179.028 176.094 0.044 0.000 1.053 871 V CA 1.693 64.030 62.300 0.062 0.000 1.027 871 V CB -0.465 31.418 31.823 0.099 0.000 0.646 871 V HN 0.359 nan 8.190 nan 0.000 0.447 872 L N -0.469 120.741 121.223 -0.023 0.000 2.201 872 L HA -0.138 4.204 4.340 0.004 0.000 0.212 872 L C 2.502 179.366 176.870 -0.010 0.000 1.105 872 L CA 1.254 56.045 54.840 -0.082 0.000 0.775 872 L CB -0.657 41.221 42.059 -0.303 0.000 0.913 872 L HN 0.429 nan 8.230 nan 0.000 0.440 873 E N -0.158 120.076 120.200 0.057 0.000 2.072 873 E HA -0.170 4.182 4.350 0.004 0.000 0.191 873 E C 2.300 179.047 176.600 0.245 0.000 0.985 873 E CA 1.139 57.640 56.400 0.168 0.000 0.801 873 E CB -0.076 29.763 29.700 0.232 0.000 0.750 873 E HN 0.262 nan 8.360 nan 0.000 0.452 874 V N 1.004 121.040 119.914 0.205 0.000 2.307 874 V HA -0.217 3.905 4.120 0.004 0.000 0.245 874 V C 2.353 178.472 176.094 0.041 0.000 1.045 874 V CA 1.246 63.584 62.300 0.063 0.000 1.024 874 V CB -0.302 31.513 31.823 -0.013 0.000 0.651 874 V HN 0.126 nan 8.190 nan 0.000 0.449 875 V N 0.015 119.950 119.914 0.035 0.000 2.287 875 V HA -0.264 3.858 4.120 0.004 0.000 0.248 875 V C 2.575 178.663 176.094 -0.009 0.000 1.053 875 V CA 2.434 64.734 62.300 -0.000 0.000 1.027 875 V CB -0.762 31.064 31.823 0.004 0.000 0.646 875 V HN 0.568 nan 8.190 nan 0.000 0.447 876 S N 0.097 115.808 115.700 0.018 0.000 2.383 876 S HA -0.182 4.291 4.470 0.004 0.000 0.229 876 S C 2.180 176.822 174.600 0.069 0.000 1.030 876 S CA 1.407 59.625 58.200 0.030 0.000 1.002 876 S CB -0.474 62.759 63.200 0.054 0.000 0.829 876 S HN 0.669 nan 8.310 nan 0.000 0.467 877 A N 1.791 124.683 122.820 0.120 0.000 1.873 877 A HA -0.019 4.304 4.320 0.004 0.000 0.215 877 A C 2.057 179.714 177.584 0.122 0.000 1.186 877 A CA 1.300 53.432 52.037 0.159 0.000 0.616 877 A CB -0.483 18.663 19.000 0.244 0.000 0.823 877 A HN 0.363 nan 8.150 nan 0.000 0.442 878 M N 0.276 119.926 119.600 0.085 0.000 2.374 878 M HA -0.021 4.461 4.480 0.004 0.000 0.264 878 M C 0.848 177.188 176.300 0.066 0.000 1.067 878 M CA 0.867 56.226 55.300 0.098 0.000 1.103 878 M CB -1.240 31.382 32.600 0.036 0.000 1.402 878 M HN 0.388 nan 8.290 nan 0.000 0.444 879 N N 0.609 119.319 118.700 0.017 0.000 2.230 879 N HA 0.046 4.788 4.740 0.004 0.000 0.202 879 N C 0.141 175.644 175.510 -0.011 0.000 1.119 879 N CA 0.007 53.045 53.050 -0.019 0.000 0.851 879 N CB 0.709 39.087 38.487 -0.182 0.000 0.990 879 N HN 0.291 nan 8.380 nan 0.000 0.497 880 S N -0.767 114.973 115.700 0.066 0.000 2.603 880 S HA 0.220 4.693 4.470 0.004 0.000 0.268 880 S C 1.492 176.167 174.600 0.124 0.000 1.317 880 S CA -0.462 57.781 58.200 0.073 0.000 1.012 880 S CB 1.785 65.046 63.200 0.102 0.000 0.926 880 S HN -0.029 nan 8.310 nan 0.000 0.539 881 S N 2.532 118.300 115.700 0.113 0.000 2.365 881 S HA -0.038 4.435 4.470 0.004 0.000 0.225 881 S C -0.867 173.940 174.600 0.345 0.000 1.039 881 S CA 1.750 60.075 58.200 0.209 0.000 1.033 881 S CB -1.534 61.731 63.200 0.108 0.000 0.887 881 S HN 0.726 nan 8.310 nan 0.000 0.447 882 P HA 0.003 nan 4.420 nan 0.000 0.217 882 P C 1.334 178.689 177.300 0.091 0.000 1.150 882 P CA 0.778 63.973 63.100 0.158 0.000 0.832 882 P CB 0.001 31.744 31.700 0.072 0.000 0.787 883 V N -2.077 117.925 119.914 0.147 0.000 2.685 883 V HA -0.144 3.979 4.120 0.004 0.000 0.244 883 V C 2.225 178.484 176.094 0.275 0.000 1.054 883 V CA 0.813 63.219 62.300 0.178 0.000 1.076 883 V CB -1.329 30.606 31.823 0.187 0.000 0.725 883 V HN -0.028 nan 8.190 nan 0.000 0.467 884 Y N 2.852 123.211 120.300 0.099 0.000 2.241 884 Y HA -0.296 4.256 4.550 0.004 0.000 0.286 884 Y C 2.525 178.451 175.900 0.044 0.000 1.166 884 Y CA 2.226 60.334 58.100 0.012 0.000 1.203 884 Y CB -0.090 38.351 38.460 -0.033 0.000 0.977 884 Y HN 0.339 nan 8.280 nan 0.000 0.529 885 R N 0.104 120.677 120.500 0.121 0.000 2.310 885 R HA 0.129 4.471 4.340 0.004 0.000 0.202 885 R C 0.033 176.340 176.300 0.011 0.000 0.933 885 R CA 0.266 56.386 56.100 0.034 0.000 1.054 885 R CB -0.658 29.707 30.300 0.109 0.000 0.985 885 R HN 0.311 nan 8.270 nan 0.000 0.489 886 L N 2.749 124.020 121.223 0.080 0.000 2.437 886 L HA 0.103 4.445 4.340 0.004 0.000 0.243 886 L C 0.245 177.170 176.870 0.092 0.000 1.346 886 L CA -0.366 54.509 54.840 0.058 0.000 1.233 886 L CB 0.231 42.287 42.059 -0.005 0.000 1.436 886 L HN 0.109 nan 8.230 nan 0.000 0.416 887 D N -0.301 120.091 120.400 -0.012 0.000 2.123 887 D HA -0.215 4.427 4.640 0.004 0.000 0.196 887 D C 1.833 178.064 176.300 -0.114 0.000 0.992 887 D CA 1.515 55.465 54.000 -0.084 0.000 0.833 887 D CB 0.089 40.754 40.800 -0.224 0.000 0.954 887 D HN 0.513 nan 8.370 nan 0.000 0.455 888 H N 0.318 119.383 119.070 -0.009 0.000 2.421 888 H HA -0.027 4.532 4.556 0.004 0.000 0.298 888 H C 2.047 177.337 175.328 -0.062 0.000 1.087 888 H CA 1.271 57.302 56.048 -0.028 0.000 1.330 888 H CB -0.120 29.624 29.762 -0.030 0.000 1.388 888 H HN 0.139 nan 8.280 nan 0.000 0.526 889 T N 0.712 115.255 114.554 -0.020 0.000 2.732 889 T HA -0.080 4.273 4.350 0.004 0.000 0.261 889 T C 1.795 176.338 174.700 -0.262 0.000 1.040 889 T CA 0.781 62.763 62.100 -0.198 0.000 1.145 889 T CB -0.410 68.224 68.868 -0.389 0.000 0.866 889 T HN 0.133 nan 8.240 nan 0.000 0.427 890 F N 1.757 121.669 119.950 -0.064 0.000 2.333 890 F HA 0.035 4.564 4.527 0.004 0.000 0.300 890 F C 2.361 178.123 175.800 -0.065 0.000 1.083 890 F CA 0.541 58.495 58.000 -0.077 0.000 1.395 890 F CB -0.525 38.407 39.000 -0.113 0.000 1.056 890 F HN 0.244 nan 8.300 nan 0.000 0.529 891 E N -0.328 119.916 120.200 0.073 0.000 2.153 891 E HA -0.214 4.138 4.350 0.004 0.000 0.194 891 E C 1.829 178.442 176.600 0.021 0.000 0.988 891 E CA 0.952 57.372 56.400 0.034 0.000 0.811 891 E CB -0.172 29.536 29.700 0.013 0.000 0.746 891 E HN 0.532 nan 8.360 nan 0.000 0.466 892 Q N -0.080 119.722 119.800 0.003 0.000 2.360 892 Q HA 0.048 4.390 4.340 0.004 0.000 0.202 892 Q C -0.024 175.966 176.000 -0.017 0.000 0.915 892 Q CA -0.113 55.684 55.803 -0.009 0.000 0.943 892 Q CB 0.589 29.315 28.738 -0.020 0.000 1.064 892 Q HN 0.164 nan 8.270 nan 0.000 0.511 893 I N 3.736 124.301 120.570 -0.008 0.000 2.496 893 I HA 0.091 4.263 4.170 0.004 0.000 0.285 893 I C -1.935 174.189 176.117 0.012 0.000 1.080 893 I CA -2.336 58.963 61.300 -0.001 0.000 1.404 893 I CB 0.203 38.229 38.000 0.044 0.000 1.403 893 I HN -0.062 nan 8.210 nan 0.000 0.539 894 P HA -0.009 nan 4.420 nan 0.000 0.266 894 P C 0.848 178.152 177.300 0.008 0.000 1.195 894 P CA 0.070 63.170 63.100 0.001 0.000 0.768 894 P CB 0.744 32.440 31.700 -0.007 0.000 0.838 895 S N 3.257 118.960 115.700 0.006 0.000 2.380 895 S HA -0.244 4.228 4.470 0.004 0.000 0.229 895 S C 1.887 176.490 174.600 0.005 0.000 1.043 895 S CA 1.865 60.068 58.200 0.006 0.000 1.038 895 S CB -0.544 62.658 63.200 0.002 0.000 0.872 895 S HN 0.625 nan 8.310 nan 0.000 0.456 896 R N 0.415 120.916 120.500 0.001 0.000 2.105 896 R HA -0.089 4.253 4.340 0.004 0.000 0.239 896 R C 2.293 178.594 176.300 0.002 0.000 1.135 896 R CA 1.842 57.942 56.100 -0.000 0.000 0.967 896 R CB -0.630 29.668 30.300 -0.004 0.000 0.861 896 R HN 0.493 nan 8.270 nan 0.000 0.442 897 Q N 0.647 120.449 119.800 0.003 0.000 2.187 897 Q HA -0.017 4.325 4.340 0.004 0.000 0.199 897 Q C 1.896 177.908 176.000 0.020 0.000 0.957 897 Q CA 1.198 57.005 55.803 0.006 0.000 0.857 897 Q CB 0.108 28.847 28.738 0.002 0.000 0.929 897 Q HN 0.444 nan 8.270 nan 0.000 0.453 898 K N 0.974 121.389 120.400 0.025 0.000 2.097 898 K HA -0.162 4.160 4.320 0.004 0.000 0.206 898 K C 2.048 178.653 176.600 0.009 0.000 1.049 898 K CA 1.003 57.305 56.287 0.025 0.000 0.933 898 K CB -0.034 32.478 32.500 0.020 0.000 0.717 898 K HN 0.022 nan 8.250 nan 0.000 0.442 899 K N 1.288 121.693 120.400 0.008 0.000 2.057 899 K HA -0.088 4.234 4.320 0.004 0.000 0.206 899 K C 2.027 178.635 176.600 0.012 0.000 1.050 899 K CA 0.969 57.260 56.287 0.007 0.000 0.935 899 K CB -0.002 32.501 32.500 0.005 0.000 0.715 899 K HN 0.035 nan 8.250 nan 0.000 0.439 900 I N 1.015 121.592 120.570 0.012 0.000 2.179 900 I HA -0.294 3.878 4.170 0.004 0.000 0.242 900 I C 2.294 178.426 176.117 0.024 0.000 1.088 900 I CA 0.690 61.999 61.300 0.016 0.000 1.357 900 I CB -0.221 37.783 38.000 0.008 0.000 1.051 900 I HN 0.234 nan 8.210 nan 0.000 0.409 901 L N 1.074 122.309 121.223 0.020 0.000 2.046 901 L HA -0.230 4.112 4.340 0.004 0.000 0.208 901 L C 2.408 179.299 176.870 0.036 0.000 1.077 901 L CA 1.998 56.851 54.840 0.021 0.000 0.747 901 L CB -0.757 41.307 42.059 0.008 0.000 0.896 901 L HN 0.182 nan 8.230 nan 0.000 0.432 902 E N -0.319 119.897 120.200 0.028 0.000 2.077 902 E HA -0.211 4.141 4.350 0.004 0.000 0.193 902 E C 2.001 178.629 176.600 0.047 0.000 0.989 902 E CA 1.456 57.885 56.400 0.048 0.000 0.800 902 E CB -0.165 29.547 29.700 0.020 0.000 0.746 902 E HN 0.511 nan 8.360 nan 0.000 0.452 903 E N 0.187 120.406 120.200 0.033 0.000 2.072 903 E HA -0.132 4.221 4.350 0.004 0.000 0.191 903 E C 2.018 178.644 176.600 0.043 0.000 0.985 903 E CA 1.140 57.556 56.400 0.028 0.000 0.801 903 E CB -0.532 29.186 29.700 0.030 0.000 0.750 903 E HN 0.387 nan 8.360 nan 0.000 0.452 904 A N 1.139 123.997 122.820 0.063 0.000 1.902 904 A HA -0.221 4.101 4.320 0.004 0.000 0.217 904 A C 2.121 179.754 177.584 0.082 0.000 1.181 904 A CA 1.764 53.850 52.037 0.082 0.000 0.623 904 A CB -0.933 18.115 19.000 0.080 0.000 0.818 904 A HN 0.415 nan 8.150 nan 0.000 0.443 905 H N -0.369 118.680 119.070 -0.036 0.000 2.387 905 H HA -0.098 4.461 4.556 0.004 0.000 0.299 905 H C 1.805 177.076 175.328 -0.096 0.000 1.090 905 H CA 1.483 57.487 56.048 -0.074 0.000 1.332 905 H CB 0.056 29.775 29.762 -0.072 0.000 1.386 905 H HN 0.619 nan 8.280 nan 0.000 0.516 906 E N 0.502 120.598 120.200 -0.172 0.000 2.333 906 E HA -0.136 4.217 4.350 0.004 0.000 0.198 906 E C 2.361 178.857 176.600 -0.173 0.000 1.007 906 E CA 0.425 56.687 56.400 -0.231 0.000 0.845 906 E CB 0.116 29.746 29.700 -0.116 0.000 0.766 906 E HN 0.552 nan 8.360 nan 0.000 0.507 907 L N 0.651 121.820 121.223 -0.089 0.000 2.083 907 L HA -0.174 4.169 4.340 0.004 0.000 0.209 907 L C 2.577 179.370 176.870 -0.129 0.000 1.083 907 L CA 1.378 56.212 54.840 -0.010 0.000 0.752 907 L CB -0.431 41.699 42.059 0.118 0.000 0.899 907 L HN 0.197 nan 8.230 nan 0.000 0.433 908 S N -1.844 113.634 115.700 -0.369 0.000 2.496 908 S HA 0.002 4.474 4.470 0.004 0.000 0.224 908 S C 0.747 174.906 174.600 -0.734 0.000 0.996 908 S CA -0.240 57.420 58.200 -0.900 0.000 0.927 908 S CB -0.240 62.449 63.200 -0.853 0.000 0.774 908 S HN 0.356 nan 8.310 nan 0.000 0.524 909 E N 1.603 121.516 120.200 -0.479 0.000 2.418 909 E HA 0.086 4.438 4.350 0.004 0.000 0.261 909 E C -0.308 176.129 176.600 -0.272 0.000 1.070 909 E CA 0.225 56.396 56.400 -0.382 0.000 0.931 909 E CB 0.133 29.630 29.700 -0.338 0.000 0.954 909 E HN 0.246 nan 8.360 nan 0.000 0.439 910 D N 1.858 122.102 120.400 -0.261 0.000 2.689 910 D HA -0.246 4.396 4.640 0.004 0.000 0.237 910 D C -0.901 175.377 176.300 -0.036 0.000 1.148 910 D CA 0.985 54.894 54.000 -0.153 0.000 0.656 910 D CB -1.394 39.377 40.800 -0.048 0.000 1.050 910 D HN 0.691 nan 8.370 nan 0.000 0.426 911 H N -1.263 117.784 119.070 -0.039 0.000 2.819 911 H HA -0.265 4.294 4.556 0.004 0.000 0.315 911 H C 0.475 175.931 175.328 0.213 0.000 1.242 911 H CA 1.187 57.287 56.048 0.087 0.000 1.157 911 H CB -2.079 27.740 29.762 0.094 0.000 1.451 911 H HN 0.561 nan 8.280 nan 0.000 0.430 912 Y N -2.006 118.315 120.300 0.035 0.000 4.177 912 Y HA -0.349 4.203 4.550 0.004 0.000 0.227 912 Y C 1.977 177.929 175.900 0.087 0.000 1.154 912 Y CA 1.596 59.733 58.100 0.062 0.000 1.887 912 Y CB -1.411 37.110 38.460 0.101 0.000 1.594 912 Y HN 0.488 nan 8.280 nan 0.000 0.668 913 K N 0.818 121.304 120.400 0.142 0.000 2.044 913 K HA -0.257 4.065 4.320 0.004 0.000 0.210 913 K C 1.808 178.442 176.600 0.057 0.000 1.049 913 K CA 2.190 58.531 56.287 0.090 0.000 0.927 913 K CB -0.107 32.422 32.500 0.049 0.000 0.713 913 K HN 0.504 nan 8.250 nan 0.000 0.443 914 K N -0.703 119.722 120.400 0.043 0.000 2.097 914 K HA -0.173 4.149 4.320 0.004 0.000 0.205 914 K C 2.127 178.746 176.600 0.032 0.000 1.050 914 K CA 1.354 57.655 56.287 0.023 0.000 0.938 914 K CB -0.281 32.225 32.500 0.009 0.000 0.718 914 K HN 0.241 nan 8.250 nan 0.000 0.442 915 Y N 1.905 122.190 120.300 -0.025 0.000 2.097 915 Y HA -0.222 4.330 4.550 0.004 0.000 0.282 915 Y C 1.704 177.498 175.900 -0.177 0.000 1.152 915 Y CA 1.419 59.465 58.100 -0.089 0.000 1.136 915 Y CB -0.398 38.092 38.460 0.049 0.000 0.975 915 Y HN -0.087 nan 8.280 nan 0.000 0.498 916 L N 0.006 121.092 121.223 -0.227 0.000 2.042 916 L HA -0.262 4.080 4.340 0.004 0.000 0.210 916 L C 2.803 179.503 176.870 -0.282 0.000 1.076 916 L CA 1.330 55.980 54.840 -0.318 0.000 0.749 916 L CB -1.050 40.971 42.059 -0.063 0.000 0.893 916 L HN 0.394 nan 8.230 nan 0.000 0.432 917 A N 0.014 122.733 122.820 -0.168 0.000 1.898 917 A HA -0.224 4.098 4.320 0.004 0.000 0.216 917 A C 2.312 179.808 177.584 -0.147 0.000 1.181 917 A CA 1.848 53.816 52.037 -0.114 0.000 0.620 917 A CB -0.356 18.611 19.000 -0.055 0.000 0.819 917 A HN 0.237 nan 8.150 nan 0.000 0.442 918 K N -0.227 120.053 120.400 -0.199 0.000 2.026 918 K HA -0.096 4.226 4.320 0.004 0.000 0.208 918 K C 1.744 178.184 176.600 -0.267 0.000 1.048 918 K CA 1.522 57.711 56.287 -0.165 0.000 0.929 918 K CB -0.623 31.812 32.500 -0.108 0.000 0.713 918 K HN 0.301 nan 8.250 nan 0.000 0.439 919 L N 1.148 121.989 121.223 -0.636 0.000 2.042 919 L HA -0.084 4.258 4.340 0.004 0.000 0.210 919 L C 1.850 178.600 176.870 -0.201 0.000 1.076 919 L CA 1.770 56.227 54.840 -0.638 0.000 0.749 919 L CB -0.360 41.091 42.059 -1.015 0.000 0.893 919 L HN 0.139 nan 8.230 nan 0.000 0.432 920 R N -1.015 119.396 120.500 -0.148 0.000 2.280 920 R HA -0.019 4.323 4.340 0.004 0.000 0.207 920 R C 2.088 178.395 176.300 0.012 0.000 1.043 920 R CA 0.990 57.082 56.100 -0.013 0.000 1.006 920 R CB -0.193 30.089 30.300 -0.031 0.000 0.885 920 R HN 0.653 nan 8.270 nan 0.000 0.467 921 S N -0.063 115.634 115.700 -0.004 0.000 2.505 921 S HA 0.059 4.532 4.470 0.004 0.000 0.216 921 S C 0.840 175.472 174.600 0.054 0.000 1.018 921 S CA -0.556 57.658 58.200 0.023 0.000 0.911 921 S CB -0.162 63.044 63.200 0.010 0.000 0.818 921 S HN 0.167 nan 8.310 nan 0.000 0.497 922 I N 1.113 121.733 120.570 0.083 0.000 3.211 922 I HA 0.526 4.698 4.170 0.004 0.000 0.297 922 I C -0.107 176.072 176.117 0.103 0.000 1.095 922 I CA -0.934 60.432 61.300 0.109 0.000 1.239 922 I CB -0.159 37.945 38.000 0.174 0.000 1.455 922 I HN 0.012 nan 8.210 nan 0.000 0.630 923 N N 2.717 121.467 118.700 0.082 0.000 2.469 923 N HA 0.495 5.238 4.740 0.004 0.000 0.253 923 N C -2.563 172.984 175.510 0.062 0.000 0.970 923 N CA -2.062 51.029 53.050 0.067 0.000 0.940 923 N CB 0.569 39.081 38.487 0.043 0.000 1.128 923 N HN 0.493 nan 8.380 nan 0.000 0.503 924 P HA 0.159 nan 4.420 nan 0.000 0.271 924 P C -2.576 174.701 177.300 -0.037 0.000 1.238 924 P CA -0.786 62.346 63.100 0.054 0.000 0.794 924 P CB -0.480 31.303 31.700 0.140 0.000 0.959 925 P HA 0.063 nan 4.420 nan 0.000 0.269 925 P C -0.380 176.764 177.300 -0.259 0.000 1.215 925 P CA 0.108 63.008 63.100 -0.334 0.000 0.780 925 P CB 0.389 31.576 31.700 -0.855 0.000 0.898 926 C N -0.634 118.615 119.300 -0.086 0.000 3.318 926 C HA 0.667 5.129 4.460 0.004 0.000 0.322 926 C C -0.894 174.148 174.990 0.087 0.000 1.398 926 C CA -0.744 58.312 59.018 0.064 0.000 1.339 926 C CB 1.148 28.929 27.740 0.069 0.000 1.668 926 C HN 0.322 nan 8.230 nan 0.000 0.462 927 V N 2.974 122.918 119.914 0.050 0.000 2.340 927 V HA 0.462 4.585 4.120 0.004 0.000 0.277 927 V C -2.078 173.967 176.094 -0.081 0.000 1.017 927 V CA -0.913 61.326 62.300 -0.102 0.000 0.820 927 V CB 1.180 32.989 31.823 -0.023 0.000 1.028 927 V HN 0.869 nan 8.190 nan 0.000 0.436 928 P HA 0.112 nan 4.420 nan 0.000 0.272 928 P C -0.577 176.754 177.300 0.052 0.000 1.240 928 P CA -0.307 62.753 63.100 -0.066 0.000 0.791 928 P CB 0.773 32.334 31.700 -0.231 0.000 0.978 929 F N 1.650 121.557 119.950 -0.070 0.000 2.444 929 F HA 0.219 4.748 4.527 0.004 0.000 0.360 929 F C 0.774 176.479 175.800 -0.158 0.000 1.106 929 F CA -0.899 56.997 58.000 -0.174 0.000 1.170 929 F CB -0.087 38.615 39.000 -0.497 0.000 1.113 929 F HN 0.143 nan 8.300 nan 0.000 0.521 930 F N 4.432 124.059 119.950 -0.538 0.000 2.325 930 F HA 0.084 4.613 4.527 0.004 0.000 0.299 930 F C 2.196 177.531 175.800 -0.775 0.000 1.090 930 F CA 1.574 59.354 58.000 -0.367 0.000 1.392 930 F CB -0.528 38.390 39.000 -0.137 0.000 1.053 930 F HN 0.653 nan 8.300 nan 0.000 0.521 931 G N 0.984 108.892 108.800 -1.486 0.000 2.513 931 G HA2 -0.306 3.656 3.960 0.004 0.000 0.219 931 G HA3 -0.306 3.656 3.960 0.004 0.000 0.219 931 G C 1.712 176.286 174.900 -0.544 0.000 1.160 931 G CA 1.238 45.706 45.100 -1.053 0.000 0.767 931 G HN 0.261 nan 8.290 nan 0.000 0.571 932 I N 0.202 120.366 120.570 -0.675 0.000 2.163 932 I HA -0.159 4.013 4.170 0.004 0.000 0.243 932 I C 2.593 178.556 176.117 -0.257 0.000 1.085 932 I CA 0.848 61.897 61.300 -0.418 0.000 1.347 932 I CB -1.426 36.264 38.000 -0.517 0.000 1.044 932 I HN 0.191 nan 8.210 nan 0.000 0.408 933 Y N 0.908 121.060 120.300 -0.247 0.000 2.181 933 Y HA -0.171 4.382 4.550 0.004 0.000 0.288 933 Y C 2.623 178.457 175.900 -0.111 0.000 1.146 933 Y CA 0.902 58.880 58.100 -0.203 0.000 1.164 933 Y CB -1.112 37.107 38.460 -0.403 0.000 0.982 933 Y HN 0.091 nan 8.280 nan 0.000 0.515 934 L N -1.146 120.093 121.223 0.026 0.000 2.017 934 L HA -0.231 4.111 4.340 0.004 0.000 0.208 934 L C 2.307 179.327 176.870 0.251 0.000 1.073 934 L CA 1.843 56.662 54.840 -0.035 0.000 0.745 934 L CB -1.091 40.847 42.059 -0.202 0.000 0.894 934 L HN 0.175 nan 8.230 nan 0.000 0.432 935 T N -0.447 114.199 114.554 0.153 0.000 2.746 935 T HA -0.118 4.234 4.350 0.004 0.000 0.267 935 T C 1.734 176.523 174.700 0.148 0.000 1.039 935 T CA 1.270 63.469 62.100 0.166 0.000 1.142 935 T CB -0.208 68.726 68.868 0.111 0.000 0.866 935 T HN 0.293 nan 8.240 nan 0.000 0.444 936 N N 0.969 119.740 118.700 0.119 0.000 2.188 936 N HA 0.090 4.832 4.740 0.004 0.000 0.184 936 N C 1.859 177.445 175.510 0.126 0.000 1.018 936 N CA 0.734 53.846 53.050 0.104 0.000 0.858 936 N CB -0.263 38.279 38.487 0.092 0.000 0.989 936 N HN 0.391 nan 8.380 nan 0.000 0.426 937 I N 0.414 121.094 120.570 0.184 0.000 2.202 937 I HA -0.218 3.955 4.170 0.004 0.000 0.242 937 I C 2.179 178.425 176.117 0.216 0.000 1.091 937 I CA 0.525 61.952 61.300 0.212 0.000 1.368 937 I CB -0.128 38.053 38.000 0.302 0.000 1.058 937 I HN 0.042 nan 8.210 nan 0.000 0.410 938 L N 1.149 122.546 121.223 0.291 0.000 2.012 938 L HA -0.236 4.106 4.340 0.004 0.000 0.210 938 L C 2.402 179.314 176.870 0.070 0.000 1.073 938 L CA 1.970 56.898 54.840 0.146 0.000 0.748 938 L CB -0.621 41.537 42.059 0.165 0.000 0.891 938 L HN 0.086 nan 8.230 nan 0.000 0.431 939 K N -1.501 118.947 120.400 0.081 0.000 2.057 939 K HA -0.116 4.207 4.320 0.004 0.000 0.206 939 K C 1.887 178.504 176.600 0.028 0.000 1.050 939 K CA 1.790 58.103 56.287 0.044 0.000 0.935 939 K CB -0.430 32.096 32.500 0.044 0.000 0.715 939 K HN 0.379 nan 8.250 nan 0.000 0.439 940 T N 1.640 116.216 114.554 0.038 0.000 2.720 940 T HA -0.133 4.219 4.350 0.004 0.000 0.268 940 T C 1.622 176.326 174.700 0.006 0.000 1.037 940 T CA 1.237 63.348 62.100 0.017 0.000 1.144 940 T CB -0.107 68.773 68.868 0.020 0.000 0.864 940 T HN 0.229 nan 8.240 nan 0.000 0.444 941 E N 1.346 121.554 120.200 0.014 0.000 2.106 941 E HA -0.126 4.226 4.350 0.004 0.000 0.192 941 E C 2.124 178.714 176.600 -0.017 0.000 0.984 941 E CA 1.110 57.507 56.400 -0.005 0.000 0.806 941 E CB -0.160 29.535 29.700 -0.008 0.000 0.750 941 E HN 0.810 nan 8.360 nan 0.000 0.458 942 E N -0.468 119.723 120.200 -0.015 0.000 2.481 942 E HA 0.137 4.490 4.350 0.004 0.000 0.198 942 E C 1.379 177.970 176.600 -0.015 0.000 1.027 942 E CA 0.339 56.726 56.400 -0.021 0.000 0.900 942 E CB 0.392 30.074 29.700 -0.029 0.000 0.993 942 E HN 0.060 nan 8.360 nan 0.000 0.482 943 G N 0.740 109.534 108.800 -0.010 0.000 3.233 943 G HA2 0.085 4.048 3.960 0.004 0.000 0.234 943 G HA3 0.085 4.048 3.960 0.004 0.000 0.234 943 G C -0.010 174.882 174.900 -0.014 0.000 1.137 943 G CA -0.344 44.750 45.100 -0.010 0.000 0.763 943 G HN -0.002 nan 8.290 nan 0.000 0.549 944 N N 1.008 119.698 118.700 -0.017 0.000 2.260 944 N HA 0.324 5.066 4.740 0.004 0.000 0.293 944 N C -3.093 172.404 175.510 -0.022 0.000 1.058 944 N CA -0.880 52.158 53.050 -0.021 0.000 0.824 944 N CB 3.269 41.740 38.487 -0.026 0.000 1.551 944 N HN -0.066 nan 8.380 nan 0.000 0.475 945 P HA 0.106 nan 4.420 nan 0.000 0.275 945 P C 0.491 177.778 177.300 -0.021 0.000 1.228 945 P CA -0.073 63.015 63.100 -0.021 0.000 0.786 945 P CB 1.227 32.914 31.700 -0.022 0.000 0.927 946 E N 1.508 121.699 120.200 -0.015 0.000 2.204 946 E HA -0.042 4.310 4.350 0.004 0.000 0.194 946 E C 0.608 177.196 176.600 -0.020 0.000 0.989 946 E CA 0.618 57.014 56.400 -0.007 0.000 0.824 946 E CB -0.119 29.586 29.700 0.008 0.000 0.756 946 E HN 0.323 nan 8.360 nan 0.000 0.477 947 V N -1.419 118.481 119.914 -0.024 0.000 3.040 947 V HA 0.605 4.728 4.120 0.004 0.000 0.312 947 V C -0.878 175.195 176.094 -0.035 0.000 1.115 947 V CA -1.233 61.045 62.300 -0.035 0.000 0.998 947 V CB 2.021 33.827 31.823 -0.028 0.000 1.042 947 V HN 0.103 nan 8.190 nan 0.000 0.433 948 L N 2.917 124.114 121.223 -0.042 0.000 2.346 948 L HA 0.650 4.992 4.340 0.004 0.000 0.276 948 L C -0.128 176.717 176.870 -0.043 0.000 1.006 948 L CA -0.793 54.022 54.840 -0.041 0.000 0.817 948 L CB 2.078 44.111 42.059 -0.044 0.000 1.272 948 L HN 0.640 nan 8.230 nan 0.000 0.421 949 K N 4.091 124.464 120.400 -0.044 0.000 2.159 949 K HA 0.566 4.888 4.320 0.004 0.000 0.266 949 K C -0.767 175.790 176.600 -0.071 0.000 0.975 949 K CA -0.794 55.466 56.287 -0.045 0.000 0.865 949 K CB 1.995 34.472 32.500 -0.038 0.000 1.087 949 K HN 0.418 nan 8.250 nan 0.000 0.446 950 R N 1.996 122.454 120.500 -0.071 0.000 2.531 950 R HA 0.168 4.511 4.340 0.004 0.000 0.293 950 R C -0.661 175.595 176.300 -0.073 0.000 1.124 950 R CA -0.583 55.430 56.100 -0.146 0.000 0.945 950 R CB 0.712 30.954 30.300 -0.096 0.000 1.195 950 R HN 0.746 nan 8.270 nan 0.000 0.433 951 H N 1.141 120.206 119.070 -0.008 0.000 2.770 951 H HA -0.219 4.339 4.556 0.004 0.000 0.309 951 H C 1.114 176.437 175.328 -0.008 0.000 1.206 951 H CA 1.453 57.497 56.048 -0.007 0.000 1.147 951 H CB -1.117 28.642 29.762 -0.006 0.000 1.422 951 H HN 1.131 nan 8.280 nan 0.000 0.420 952 G N -0.883 107.949 108.800 0.053 0.000 2.284 952 G HA2 -0.349 3.614 3.960 0.004 0.000 0.261 952 G HA3 -0.349 3.614 3.960 0.004 0.000 0.261 952 G C 0.401 175.316 174.900 0.025 0.000 0.997 952 G CA 0.705 45.826 45.100 0.034 0.000 0.621 952 G HN 0.370 nan 8.290 nan 0.000 0.534 953 K N 1.262 121.684 120.400 0.036 0.000 2.249 953 K HA 0.398 4.721 4.320 0.004 0.000 0.280 953 K C 0.101 176.699 176.600 -0.002 0.000 1.033 953 K CA -0.384 55.914 56.287 0.019 0.000 0.946 953 K CB 1.541 34.059 32.500 0.031 0.000 1.005 953 K HN 0.556 nan 8.250 nan 0.000 0.469 954 E N 4.407 124.602 120.200 -0.008 0.000 2.014 954 E HA 0.181 4.533 4.350 0.004 0.000 0.275 954 E C -0.778 175.804 176.600 -0.030 0.000 0.997 954 E CA -0.344 56.045 56.400 -0.018 0.000 0.804 954 E CB 0.320 30.014 29.700 -0.011 0.000 1.090 954 E HN 0.373 nan 8.360 nan 0.000 0.401 955 L N 4.453 125.650 121.223 -0.043 0.000 2.343 955 L HA 0.386 4.729 4.340 0.004 0.000 0.275 955 L C 0.263 177.079 176.870 -0.090 0.000 1.056 955 L CA -1.252 53.548 54.840 -0.066 0.000 0.804 955 L CB 1.116 43.133 42.059 -0.068 0.000 1.203 955 L HN 0.496 nan 8.230 nan 0.000 0.440 956 I N 2.304 122.786 120.570 -0.147 0.000 2.587 956 I HA -0.060 4.113 4.170 0.004 0.000 0.284 956 I C 0.529 176.554 176.117 -0.153 0.000 1.134 956 I CA 0.209 61.370 61.300 -0.232 0.000 1.410 956 I CB -0.146 37.533 38.000 -0.536 0.000 1.392 956 I HN 0.583 nan 8.210 nan 0.000 0.545 957 N N 5.911 124.549 118.700 -0.102 0.000 2.549 957 N HA -0.038 4.705 4.740 0.004 0.000 0.267 957 N C 0.569 176.066 175.510 -0.022 0.000 1.182 957 N CA 0.056 53.076 53.050 -0.049 0.000 1.019 957 N CB -0.190 38.271 38.487 -0.045 0.000 1.380 957 N HN 0.407 nan 8.380 nan 0.000 0.505 958 F N 2.286 122.132 119.950 -0.173 0.000 2.407 958 F HA -0.071 4.459 4.527 0.004 0.000 0.299 958 F C 2.331 178.064 175.800 -0.111 0.000 1.097 958 F CA 0.939 58.841 58.000 -0.163 0.000 1.422 958 F CB -0.122 38.781 39.000 -0.161 0.000 1.067 958 F HN 0.535 nan 8.300 nan 0.000 0.539 959 S N -0.361 115.290 115.700 -0.081 0.000 2.402 959 S HA -0.248 4.224 4.470 0.004 0.000 0.229 959 S C 2.188 176.683 174.600 -0.175 0.000 1.021 959 S CA 1.225 59.346 58.200 -0.132 0.000 0.974 959 S CB -0.688 62.483 63.200 -0.048 0.000 0.800 959 S HN 0.528 nan 8.310 nan 0.000 0.484 960 K N 0.956 121.272 120.400 -0.140 0.000 2.097 960 K HA -0.075 4.247 4.320 0.004 0.000 0.206 960 K C 2.302 178.802 176.600 -0.166 0.000 1.049 960 K CA 1.111 57.329 56.287 -0.116 0.000 0.933 960 K CB -0.086 32.371 32.500 -0.073 0.000 0.717 960 K HN 0.202 nan 8.250 nan 0.000 0.442 961 R N 0.463 120.802 120.500 -0.268 0.000 2.090 961 R HA 0.054 4.396 4.340 0.004 0.000 0.228 961 R C 2.305 178.354 176.300 -0.418 0.000 1.110 961 R CA 1.274 57.176 56.100 -0.331 0.000 0.973 961 R CB -0.194 29.862 30.300 -0.406 0.000 0.869 961 R HN 0.212 nan 8.270 nan 0.000 0.440 962 R N 0.380 120.538 120.500 -0.569 0.000 2.120 962 R HA -0.092 4.250 4.340 0.004 0.000 0.234 962 R C 1.916 178.085 176.300 -0.218 0.000 1.123 962 R CA 1.364 57.210 56.100 -0.424 0.000 0.975 962 R CB -0.176 29.905 30.300 -0.365 0.000 0.866 962 R HN 0.205 nan 8.270 nan 0.000 0.446 963 K N 0.216 120.512 120.400 -0.173 0.000 2.062 963 K HA -0.045 4.278 4.320 0.004 0.000 0.205 963 K C 2.085 178.640 176.600 -0.074 0.000 1.051 963 K CA 1.017 57.246 56.287 -0.097 0.000 0.941 963 K CB 0.024 32.482 32.500 -0.071 0.000 0.719 963 K HN -0.029 nan 8.250 nan 0.000 0.440 964 V N 1.326 121.191 119.914 -0.082 0.000 2.358 964 V HA -0.217 3.905 4.120 0.004 0.000 0.246 964 V C 2.270 178.331 176.094 -0.055 0.000 1.047 964 V CA 2.010 64.284 62.300 -0.044 0.000 1.035 964 V CB -0.548 31.255 31.823 -0.033 0.000 0.658 964 V HN 0.336 nan 8.190 nan 0.000 0.452 965 A N -0.676 122.090 122.820 -0.090 0.000 2.015 965 A HA -0.202 4.120 4.320 0.004 0.000 0.219 965 A C 2.312 179.855 177.584 -0.069 0.000 1.163 965 A CA 1.574 53.565 52.037 -0.076 0.000 0.646 965 A CB -0.388 18.550 19.000 -0.102 0.000 0.806 965 A HN 0.535 nan 8.150 nan 0.000 0.448 966 E N 0.334 120.490 120.200 -0.073 0.000 2.072 966 E HA -0.159 4.193 4.350 0.004 0.000 0.191 966 E C 1.874 178.439 176.600 -0.059 0.000 0.985 966 E CA 1.303 57.669 56.400 -0.057 0.000 0.801 966 E CB -0.194 29.477 29.700 -0.048 0.000 0.750 966 E HN 0.686 nan 8.360 nan 0.000 0.452 967 I N 1.047 121.584 120.570 -0.054 0.000 2.202 967 I HA -0.248 3.924 4.170 0.004 0.000 0.242 967 I C 2.746 178.759 176.117 -0.174 0.000 1.091 967 I CA 1.703 62.957 61.300 -0.078 0.000 1.368 967 I CB -0.602 37.385 38.000 -0.022 0.000 1.058 967 I HN 0.188 nan 8.210 nan 0.000 0.410 968 T N -1.219 113.262 114.554 -0.121 0.000 2.833 968 T HA -0.084 4.269 4.350 0.004 0.000 0.269 968 T C 1.973 176.594 174.700 -0.133 0.000 1.054 968 T CA 1.117 63.139 62.100 -0.129 0.000 1.135 968 T CB -1.060 67.780 68.868 -0.048 0.000 0.869 968 T HN 0.442 nan 8.240 nan 0.000 0.466 969 G N 1.070 109.809 108.800 -0.103 0.000 2.408 969 G HA2 -0.100 3.862 3.960 0.004 0.000 0.217 969 G HA3 -0.100 3.862 3.960 0.004 0.000 0.217 969 G C 1.516 176.339 174.900 -0.129 0.000 1.150 969 G CA 0.550 45.595 45.100 -0.092 0.000 0.776 969 G HN 0.598 nan 8.290 nan 0.000 0.542 970 E N -0.008 120.101 120.200 -0.152 0.000 2.047 970 E HA -0.062 4.291 4.350 0.004 0.000 0.191 970 E C 2.500 179.000 176.600 -0.167 0.000 0.987 970 E CA 0.544 56.851 56.400 -0.154 0.000 0.799 970 E CB -0.144 29.523 29.700 -0.056 0.000 0.752 970 E HN 0.463 nan 8.360 nan 0.000 0.449 971 I N 1.352 121.723 120.570 -0.332 0.000 2.151 971 I HA -0.356 3.817 4.170 0.004 0.000 0.243 971 I C 2.513 178.591 176.117 -0.064 0.000 1.080 971 I CA 1.440 62.559 61.300 -0.302 0.000 1.339 971 I CB -0.264 37.418 38.000 -0.529 0.000 1.039 971 I HN 0.139 nan 8.210 nan 0.000 0.409 972 Q N -0.109 119.625 119.800 -0.111 0.000 2.124 972 Q HA -0.254 4.088 4.340 0.004 0.000 0.202 972 Q C 2.249 178.224 176.000 -0.042 0.000 0.977 972 Q CA 1.115 56.876 55.803 -0.071 0.000 0.850 972 Q CB -0.271 28.419 28.738 -0.079 0.000 0.901 972 Q HN 0.482 nan 8.270 nan 0.000 0.429 973 Q N 0.295 120.029 119.800 -0.110 0.000 2.135 973 Q HA -0.186 4.157 4.340 0.004 0.000 0.204 973 Q C 1.160 177.077 176.000 -0.139 0.000 0.981 973 Q CA 1.561 57.255 55.803 -0.181 0.000 0.856 973 Q CB -0.001 28.538 28.738 -0.333 0.000 0.902 973 Q HN 0.503 nan 8.270 nan 0.000 0.425 974 Y N 0.334 120.704 120.300 0.117 0.000 2.546 974 Y HA 0.057 4.609 4.550 0.004 0.000 0.287 974 Y C 1.888 177.975 175.900 0.311 0.000 1.158 974 Y CA 0.491 58.708 58.100 0.195 0.000 1.307 974 Y CB 0.240 38.832 38.460 0.219 0.000 1.036 974 Y HN 0.209 nan 8.280 nan 0.000 0.532 975 Q N -0.498 119.508 119.800 0.342 0.000 2.425 975 Q HA -0.033 4.310 4.340 0.004 0.000 0.204 975 Q C 1.304 177.405 176.000 0.169 0.000 0.933 975 Q CA 0.137 56.093 55.803 0.254 0.000 0.939 975 Q CB 0.163 28.925 28.738 0.039 0.000 1.044 975 Q HN 0.458 nan 8.270 nan 0.000 0.513 976 N N 0.820 119.597 118.700 0.129 0.000 2.207 976 N HA -0.065 4.677 4.740 0.004 0.000 0.182 976 N C -0.026 175.541 175.510 0.095 0.000 1.020 976 N CA 0.751 53.857 53.050 0.094 0.000 0.858 976 N CB 0.164 38.683 38.487 0.052 0.000 0.991 976 N HN 0.231 nan 8.380 nan 0.000 0.427 977 Q N 2.063 121.920 119.800 0.095 0.000 2.296 977 Q HA 0.272 4.614 4.340 0.004 0.000 0.263 977 Q C -2.149 173.884 176.000 0.055 0.000 1.026 977 Q CA -1.169 54.671 55.803 0.062 0.000 0.912 977 Q CB 0.772 29.529 28.738 0.032 0.000 1.198 977 Q HN 0.278 nan 8.270 nan 0.000 0.407 978 P HA 0.123 nan 4.420 nan 0.000 0.282 978 P C -1.157 176.256 177.300 0.188 0.000 1.259 978 P CA -0.567 62.639 63.100 0.176 0.000 0.826 978 P CB 0.783 32.593 31.700 0.184 0.000 1.064 979 Y N -0.129 120.289 120.300 0.198 0.000 2.319 979 Y HA 0.138 4.690 4.550 0.004 0.000 0.328 979 Y C 1.165 177.028 175.900 -0.062 0.000 1.133 979 Y CA 0.049 58.193 58.100 0.073 0.000 1.265 979 Y CB 0.668 39.148 38.460 0.033 0.000 1.218 979 Y HN 0.376 nan 8.280 nan 0.000 0.508 980 C N 7.484 126.649 119.300 -0.226 0.000 2.379 980 C HA 0.597 5.060 4.460 0.004 0.000 0.476 980 C C -0.767 174.050 174.990 -0.288 0.000 1.068 980 C CA -0.639 57.923 59.018 -0.760 0.000 1.406 980 C CB -2.809 24.314 27.740 -1.030 0.000 1.496 980 C HN 0.641 nan 8.230 nan 0.000 0.551 981 L N 3.975 125.130 121.223 -0.113 0.000 2.422 981 L HA 0.583 4.925 4.340 0.004 0.000 0.264 981 L C -0.316 176.541 176.870 -0.021 0.000 0.984 981 L CA -0.810 53.995 54.840 -0.059 0.000 0.819 981 L CB 1.858 43.895 42.059 -0.036 0.000 1.330 981 L HN 0.361 nan 8.230 nan 0.000 0.410 982 R N 1.221 121.706 120.500 -0.025 0.000 2.357 982 R HA 0.473 4.815 4.340 0.004 0.000 0.296 982 R C -0.672 175.634 176.300 0.010 0.000 1.052 982 R CA -0.714 55.391 56.100 0.008 0.000 0.988 982 R CB 1.242 31.549 30.300 0.011 0.000 1.025 982 R HN 0.231 nan 8.270 nan 0.000 0.469 983 V N 2.270 122.205 119.914 0.036 0.000 2.686 983 V HA 0.030 4.152 4.120 0.004 0.000 0.295 983 V C 0.310 176.440 176.094 0.060 0.000 1.055 983 V CA 0.037 62.363 62.300 0.043 0.000 1.050 983 V CB 1.221 33.078 31.823 0.057 0.000 0.984 983 V HN 0.711 nan 8.190 nan 0.000 0.482 984 E N 2.816 123.058 120.200 0.071 0.000 2.255 984 E HA 0.345 4.697 4.350 0.004 0.000 0.245 984 E C 0.756 177.452 176.600 0.159 0.000 0.909 984 E CA -0.149 56.322 56.400 0.118 0.000 0.747 984 E CB 1.191 30.930 29.700 0.064 0.000 1.215 984 E HN 0.569 nan 8.360 nan 0.000 0.424 985 S N 3.471 119.262 115.700 0.152 0.000 2.393 985 S HA -0.309 4.163 4.470 0.004 0.000 0.235 985 S C 1.219 175.930 174.600 0.184 0.000 1.061 985 S CA 2.197 60.483 58.200 0.143 0.000 1.129 985 S CB -0.402 62.866 63.200 0.113 0.000 1.011 985 S HN 0.847 nan 8.310 nan 0.000 0.436 986 D N 1.293 121.839 120.400 0.243 0.000 2.117 986 D HA -0.105 4.537 4.640 0.004 0.000 0.197 986 D C 1.707 178.281 176.300 0.457 0.000 0.987 986 D CA 1.090 55.276 54.000 0.310 0.000 0.829 986 D CB -0.768 40.240 40.800 0.347 0.000 0.961 986 D HN 0.495 nan 8.370 nan 0.000 0.460 987 I N 0.121 120.956 120.570 0.441 0.000 2.252 987 I HA -0.194 3.978 4.170 0.004 0.000 0.245 987 I C 2.647 179.000 176.117 0.393 0.000 1.102 987 I CA 0.978 62.493 61.300 0.358 0.000 1.385 987 I CB -0.343 37.739 38.000 0.137 0.000 1.064 987 I HN 0.015 nan 8.210 nan 0.000 0.414 988 K N 1.322 121.898 120.400 0.294 0.000 2.032 988 K HA -0.253 4.069 4.320 0.004 0.000 0.209 988 K C 2.344 179.072 176.600 0.213 0.000 1.048 988 K CA 1.624 58.059 56.287 0.247 0.000 0.927 988 K CB -0.047 32.544 32.500 0.151 0.000 0.712 988 K HN 0.026 nan 8.250 nan 0.000 0.441 989 R N -0.249 120.363 120.500 0.187 0.000 2.073 989 R HA -0.145 4.197 4.340 0.004 0.000 0.234 989 R C 2.143 178.502 176.300 0.099 0.000 1.134 989 R CA 1.829 58.002 56.100 0.123 0.000 0.952 989 R CB -0.578 29.790 30.300 0.114 0.000 0.850 989 R HN 0.291 nan 8.270 nan 0.000 0.433 990 F N -0.074 119.880 119.950 0.006 0.000 2.065 990 F HA -0.230 4.299 4.527 0.004 0.000 0.298 990 F C 1.522 177.144 175.800 -0.296 0.000 1.112 990 F CA 1.660 59.576 58.000 -0.140 0.000 1.212 990 F CB -0.395 38.535 39.000 -0.116 0.000 0.975 990 F HN -0.007 nan 8.300 nan 0.000 0.476 991 F N 0.832 120.738 119.950 -0.072 0.000 2.407 991 F HA -0.040 4.489 4.527 0.004 0.000 0.299 991 F C 2.329 178.017 175.800 -0.188 0.000 1.097 991 F CA 1.219 59.071 58.000 -0.245 0.000 1.422 991 F CB -0.758 38.216 39.000 -0.043 0.000 1.067 991 F HN 0.085 nan 8.300 nan 0.000 0.539 992 E N -0.244 119.980 120.200 0.039 0.000 2.152 992 E HA -0.119 4.233 4.350 0.004 0.000 0.192 992 E C 1.184 177.746 176.600 -0.064 0.000 0.983 992 E CA 0.752 57.160 56.400 0.014 0.000 0.818 992 E CB -0.159 29.554 29.700 0.021 0.000 0.758 992 E HN 0.342 nan 8.360 nan 0.000 0.467 993 N N 0.526 119.138 118.700 -0.147 0.000 2.336 993 N HA 0.061 4.803 4.740 0.004 0.000 0.189 993 N C 0.137 175.482 175.510 -0.274 0.000 1.113 993 N CA 0.139 53.084 53.050 -0.175 0.000 0.858 993 N CB 0.324 38.724 38.487 -0.145 0.000 0.970 993 N HN 0.121 nan 8.380 nan 0.000 0.471 994 L N 1.500 122.487 121.223 -0.394 0.000 2.559 994 L HA -0.016 4.326 4.340 0.004 0.000 0.274 994 L C 0.391 177.100 176.870 -0.268 0.000 1.205 994 L CA 0.361 54.915 54.840 -0.478 0.000 0.907 994 L CB 0.079 41.752 42.059 -0.642 0.000 1.153 994 L HN 0.031 nan 8.230 nan 0.000 0.490 995 N N 4.346 122.922 118.700 -0.208 0.000 2.710 995 N HA 0.281 5.024 4.740 0.004 0.000 0.244 995 N C -1.994 173.443 175.510 -0.120 0.000 1.321 995 N CA -1.203 51.759 53.050 -0.146 0.000 0.758 995 N CB 1.179 39.593 38.487 -0.122 0.000 1.284 995 N HN 0.118 nan 8.380 nan 0.000 0.530 996 P HA -0.018 nan 4.420 nan 0.000 0.217 996 P C 1.338 178.370 177.300 -0.446 0.000 1.150 996 P CA 1.096 64.155 63.100 -0.068 0.000 0.832 996 P CB 0.295 32.045 31.700 0.083 0.000 0.787 997 M N -1.651 117.547 119.600 -0.670 0.000 2.476 997 M HA 0.067 4.549 4.480 0.004 0.000 0.262 997 M C 1.350 177.420 176.300 -0.383 0.000 1.079 997 M CA 1.007 55.767 55.300 -0.899 0.000 1.104 997 M CB -0.880 31.357 32.600 -0.605 0.000 1.409 997 M HN 0.036 nan 8.290 nan 0.000 0.467 998 G N 2.240 110.904 108.800 -0.227 0.000 2.566 998 G HA2 -0.364 3.599 3.960 0.004 0.000 0.280 998 G HA3 -0.364 3.599 3.960 0.004 0.000 0.280 998 G C 0.178 175.018 174.900 -0.099 0.000 1.225 998 G CA 0.424 45.453 45.100 -0.119 0.000 0.966 998 G HN 0.716 nan 8.290 nan 0.000 0.560 999 N N -0.020 118.643 118.700 -0.063 0.000 2.268 999 N HA 0.297 5.040 4.740 0.004 0.000 0.204 999 N C 0.793 176.285 175.510 -0.029 0.000 1.124 999 N CA 0.627 53.652 53.050 -0.043 0.000 0.838 999 N CB 0.529 38.999 38.487 -0.028 0.000 0.994 999 N HN 0.723 nan 8.380 nan 0.000 0.489 1000 S N 0.794 116.474 115.700 -0.034 0.000 2.584 1000 S HA 0.270 4.742 4.470 0.004 0.000 0.273 1000 S C 0.497 175.110 174.600 0.022 0.000 1.311 1000 S CA -0.715 57.490 58.200 0.009 0.000 1.034 1000 S CB 0.635 63.866 63.200 0.051 0.000 0.939 1000 S HN 0.099 nan 8.310 nan 0.000 0.513 1001 M N 2.742 122.373 119.600 0.053 0.000 2.228 1001 M HA 0.230 4.712 4.480 0.004 0.000 0.326 1001 M C 1.662 178.028 176.300 0.110 0.000 1.122 1001 M CA -0.002 55.334 55.300 0.059 0.000 1.161 1001 M CB 0.095 32.727 32.600 0.053 0.000 1.437 1001 M HN 1.003 nan 8.290 nan 0.000 0.465 1002 E N 1.404 121.665 120.200 0.100 0.000 2.033 1002 E HA -0.293 4.059 4.350 0.004 0.000 0.199 1002 E C 1.595 178.299 176.600 0.175 0.000 1.011 1002 E CA 2.263 58.751 56.400 0.147 0.000 0.815 1002 E CB 0.130 29.892 29.700 0.104 0.000 0.755 1002 E HN 0.547 nan 8.360 nan 0.000 0.451 1003 K N 0.834 121.305 120.400 0.118 0.000 2.044 1003 K HA -0.226 4.096 4.320 0.004 0.000 0.210 1003 K C 1.891 178.565 176.600 0.124 0.000 1.049 1003 K CA 2.240 58.587 56.287 0.100 0.000 0.927 1003 K CB -0.132 32.409 32.500 0.068 0.000 0.713 1003 K HN 0.206 nan 8.250 nan 0.000 0.443 1004 E N -0.825 119.458 120.200 0.137 0.000 2.058 1004 E HA -0.197 4.156 4.350 0.004 0.000 0.194 1004 E C 1.912 178.648 176.600 0.227 0.000 0.997 1004 E CA 1.502 57.994 56.400 0.153 0.000 0.801 1004 E CB -0.316 29.461 29.700 0.130 0.000 0.746 1004 E HN 0.334 nan 8.360 nan 0.000 0.450 1005 F N 1.593 121.611 119.950 0.113 0.000 2.146 1005 F HA -0.187 4.342 4.527 0.003 0.000 0.298 1005 F C 2.327 178.255 175.800 0.213 0.000 1.096 1005 F CA 1.578 59.680 58.000 0.170 0.000 1.275 1005 F CB -0.539 38.534 39.000 0.123 0.000 1.008 1005 F HN -0.113 nan 8.300 nan 0.000 0.480 1006 T N 0.155 114.792 114.554 0.138 0.000 2.684 1006 T HA -0.204 4.148 4.350 0.004 0.000 0.267 1006 T C 1.475 176.183 174.700 0.015 0.000 1.036 1006 T CA 1.843 63.964 62.100 0.034 0.000 1.148 1006 T CB -0.415 68.508 68.868 0.093 0.000 0.863 1006 T HN 0.230 nan 8.240 nan 0.000 0.436 1007 D N -0.148 120.295 120.400 0.072 0.000 2.144 1007 D HA -0.061 4.581 4.640 0.004 0.000 0.199 1007 D C 1.675 178.036 176.300 0.102 0.000 0.984 1007 D CA 0.748 54.808 54.000 0.100 0.000 0.834 1007 D CB -0.421 40.439 40.800 0.101 0.000 0.955 1007 D HN 0.456 nan 8.370 nan 0.000 0.465 1008 Y N 1.521 121.793 120.300 -0.046 0.000 2.128 1008 Y HA -0.175 4.377 4.550 0.004 0.000 0.284 1008 Y C 2.068 177.884 175.900 -0.141 0.000 1.154 1008 Y CA 1.346 59.397 58.100 -0.082 0.000 1.149 1008 Y CB -0.514 37.890 38.460 -0.094 0.000 0.976 1008 Y HN -0.075 nan 8.280 nan 0.000 0.505 1009 L N -1.374 119.583 121.223 -0.443 0.000 2.017 1009 L HA -0.211 4.131 4.340 0.004 0.000 0.208 1009 L C 2.371 179.083 176.870 -0.264 0.000 1.073 1009 L CA 1.690 56.245 54.840 -0.476 0.000 0.745 1009 L CB -0.819 41.020 42.059 -0.366 0.000 0.894 1009 L HN 0.264 nan 8.230 nan 0.000 0.432 1010 F N 1.171 120.988 119.950 -0.222 0.000 2.186 1010 F HA -0.177 4.352 4.527 0.003 0.000 0.299 1010 F C 2.413 178.131 175.800 -0.138 0.000 1.090 1010 F CA 1.375 59.293 58.000 -0.136 0.000 1.307 1010 F CB -0.243 38.713 39.000 -0.074 0.000 1.019 1010 F HN 0.108 nan 8.300 nan 0.000 0.489 1011 N N 0.377 119.011 118.700 -0.109 0.000 2.188 1011 N HA -0.140 4.602 4.740 0.004 0.000 0.184 1011 N C 1.869 177.219 175.510 -0.267 0.000 1.018 1011 N CA 0.802 53.761 53.050 -0.153 0.000 0.858 1011 N CB -0.293 38.174 38.487 -0.033 0.000 0.989 1011 N HN 0.194 nan 8.380 nan 0.000 0.426 1012 K N 0.832 121.003 120.400 -0.382 0.000 2.097 1012 K HA -0.006 4.317 4.320 0.004 0.000 0.206 1012 K C 2.085 178.481 176.600 -0.340 0.000 1.049 1012 K CA 0.456 56.505 56.287 -0.397 0.000 0.933 1012 K CB -0.529 31.632 32.500 -0.564 0.000 0.717 1012 K HN 0.076 nan 8.250 nan 0.000 0.442 1013 S N 0.947 116.424 115.700 -0.371 0.000 2.368 1013 S HA -0.057 4.415 4.470 0.004 0.000 0.225 1013 S C 2.051 176.449 174.600 -0.336 0.000 1.030 1013 S CA 0.810 58.802 58.200 -0.347 0.000 0.999 1013 S CB -0.108 62.853 63.200 -0.398 0.000 0.844 1013 S HN 0.231 nan 8.310 nan 0.000 0.459 1014 L N 0.894 121.868 121.223 -0.416 0.000 2.083 1014 L HA -0.103 4.239 4.340 0.004 0.000 0.209 1014 L C 2.687 179.470 176.870 -0.144 0.000 1.083 1014 L CA 1.531 56.200 54.840 -0.285 0.000 0.752 1014 L CB -0.598 41.298 42.059 -0.271 0.000 0.899 1014 L HN 0.423 nan 8.230 nan 0.000 0.433 1015 E N 0.544 120.661 120.200 -0.139 0.000 2.028 1015 E HA -0.226 4.127 4.350 0.004 0.000 0.191 1015 E C 2.217 178.823 176.600 0.011 0.000 0.988 1015 E CA 1.695 58.071 56.400 -0.040 0.000 0.799 1015 E CB -0.160 29.502 29.700 -0.063 0.000 0.755 1015 E HN 0.627 nan 8.360 nan 0.000 0.447 1016 I N -1.345 119.119 120.570 -0.177 0.000 2.546 1016 I HA -0.034 4.138 4.170 0.004 0.000 0.255 1016 I C 0.372 176.472 176.117 -0.029 0.000 1.163 1016 I CA 1.157 62.304 61.300 -0.255 0.000 1.457 1016 I CB 0.064 37.801 38.000 -0.438 0.000 1.092 1016 I HN -0.137 nan 8.210 nan 0.000 0.434 1017 E N 2.119 122.295 120.200 -0.040 0.000 2.923 1017 E HA 0.390 4.742 4.350 0.004 0.000 0.266 1017 E C -2.499 174.104 176.600 0.004 0.000 1.157 1017 E CA -1.966 54.447 56.400 0.021 0.000 0.795 1017 E CB 1.282 31.010 29.700 0.048 0.000 1.454 1017 E HN 0.179 nan 8.360 nan 0.000 0.386 1018 P HA -0.066 nan 4.420 nan 0.000 0.267 1018 P C -0.169 177.141 177.300 0.016 0.000 1.201 1018 P CA 0.198 63.300 63.100 0.003 0.000 0.775 1018 P CB 0.619 32.328 31.700 0.016 0.000 0.854 1019 R N 2.003 122.507 120.500 0.006 0.000 2.641 1019 R HA 0.171 4.513 4.340 0.004 0.000 0.269 1019 R C 0.546 176.864 176.300 0.030 0.000 1.074 1019 R CA -0.315 55.798 56.100 0.021 0.000 1.133 1019 R CB 0.107 30.423 30.300 0.027 0.000 1.029 1019 R HN 0.519 nan 8.270 nan 0.000 0.488 1020 N N 2.234 120.954 118.700 0.034 0.000 2.453 1020 N HA 0.040 4.782 4.740 0.004 0.000 0.253 1020 N C -1.700 173.824 175.510 0.025 0.000 1.252 1020 N CA -0.685 52.385 53.050 0.033 0.000 0.917 1020 N CB 0.534 39.039 38.487 0.030 0.000 1.117 1020 N HN 0.367 nan 8.380 nan 0.000 0.442 1021 P HA 0.106 nan 4.420 nan 0.000 0.255 1021 P C -0.030 177.281 177.300 0.018 0.000 1.301 1021 P CA 0.148 63.260 63.100 0.020 0.000 0.817 1021 P CB 0.233 31.941 31.700 0.014 0.000 1.259 1022 K N 2.547 122.958 120.400 0.018 0.000 2.451 1022 K HA 0.104 4.426 4.320 0.004 0.000 0.280 1022 K C -1.950 174.656 176.600 0.010 0.000 1.020 1022 K CA -1.461 54.832 56.287 0.010 0.000 1.008 1022 K CB 0.221 32.727 32.500 0.009 0.000 0.917 1022 K HN 0.043 nan 8.250 nan 0.000 0.478 1023 P HA -0.035 nan 4.420 nan 0.000 0.272 1023 P C -0.787 176.490 177.300 -0.039 0.000 1.223 1023 P CA -0.495 62.593 63.100 -0.021 0.000 0.784 1023 P CB 0.623 32.303 31.700 -0.033 0.000 0.923 1024 L N 5.299 126.476 121.223 -0.076 0.000 2.361 1024 L HA 0.331 4.673 4.340 0.004 0.000 0.278 1024 L C -1.830 174.976 176.870 -0.107 0.000 1.113 1024 L CA -1.610 53.162 54.840 -0.113 0.000 0.849 1024 L CB -0.334 41.549 42.059 -0.294 0.000 1.155 1024 L HN 0.342 nan 8.230 nan 0.000 0.452 1025 P HA 0.373 nan 4.420 nan 0.000 0.282 1025 P C -1.169 175.966 177.300 -0.275 0.000 1.287 1025 P CA -0.644 62.316 63.100 -0.234 0.000 0.792 1025 P CB 0.922 32.407 31.700 -0.359 0.000 1.163 1026 R N -0.585 119.647 120.500 -0.447 0.000 2.778 1026 R HA 0.693 5.035 4.340 0.004 0.000 0.277 1026 R C -0.764 175.185 176.300 -0.585 0.000 0.977 1026 R CA -0.461 55.456 56.100 -0.305 0.000 0.950 1026 R CB 1.197 31.390 30.300 -0.178 0.000 1.165 1026 R HN 0.387 nan 8.270 nan 0.000 0.474 1027 F N 1.131 121.041 119.950 -0.068 0.000 2.599 1027 F HA 0.449 4.978 4.527 0.003 0.000 0.311 1027 F C -1.941 173.818 175.800 -0.068 0.000 1.076 1027 F CA -2.282 55.678 58.000 -0.067 0.000 0.937 1027 F CB 1.558 40.514 39.000 -0.074 0.000 1.282 1027 F HN 0.335 nan 8.300 nan 0.000 0.460 1028 P HA 0.163 nan 4.420 nan 0.000 0.276 1028 P C -1.017 176.282 177.300 -0.003 0.000 1.244 1028 P CA -0.576 62.541 63.100 0.027 0.000 0.801 1028 P CB 0.929 32.632 31.700 0.005 0.000 1.006 1029 K N 1.681 122.059 120.400 -0.035 0.000 2.355 1029 K HA 0.033 4.355 4.320 0.004 0.000 0.270 1029 K C 1.103 177.613 176.600 -0.150 0.000 1.003 1029 K CA 0.117 56.357 56.287 -0.080 0.000 0.957 1029 K CB 0.729 33.196 32.500 -0.055 0.000 0.939 1029 K HN 0.573 nan 8.250 nan 0.000 0.482 1030 K N -0.049 120.171 120.400 -0.300 0.000 2.412 1030 K HA 0.120 4.442 4.320 0.004 0.000 0.202 1030 K C -0.331 175.971 176.600 -0.497 0.000 1.102 1030 K CA 0.014 56.056 56.287 -0.408 0.000 1.027 1030 K CB 0.277 32.453 32.500 -0.540 0.000 0.931 1030 K HN 0.237 nan 8.250 nan 0.000 0.557 1031 Y N 2.020 122.193 120.300 -0.211 0.000 2.328 1031 Y HA 0.215 4.768 4.550 0.004 0.000 0.337 1031 Y C 0.996 176.634 175.900 -0.436 0.000 1.008 1031 Y CA -1.331 56.498 58.100 -0.451 0.000 1.129 1031 Y CB 2.023 40.132 38.460 -0.586 0.000 1.185 1031 Y HN 0.153 nan 8.280 nan 0.000 0.476 1032 S N 1.415 116.937 115.700 -0.297 0.000 2.605 1032 S HA 0.132 4.604 4.470 0.004 0.000 0.217 1032 S C -0.336 174.222 174.600 -0.070 0.000 0.958 1032 S CA -0.216 57.904 58.200 -0.135 0.000 0.919 1032 S CB -0.850 62.331 63.200 -0.032 0.000 0.780 1032 S HN 0.504 nan 8.310 nan 0.000 0.507 1033 Y N -0.154 120.190 120.300 0.073 0.000 2.562 1033 Y HA 0.818 5.370 4.550 0.004 0.000 0.343 1033 Y C -2.912 172.995 175.900 0.012 0.000 1.025 1033 Y CA -4.033 54.078 58.100 0.017 0.000 1.082 1033 Y CB -0.459 37.990 38.460 -0.018 0.000 1.264 1033 Y HN -0.171 nan 8.280 nan 0.000 0.478 1034 P HA 0.058 nan 4.420 nan 0.000 0.264 1034 P C 0.114 177.525 177.300 0.186 0.000 1.183 1034 P CA 0.174 63.359 63.100 0.142 0.000 0.763 1034 P CB 1.236 32.993 31.700 0.095 0.000 0.807 1035 L N 0.904 122.193 121.223 0.111 0.000 2.592 1035 L HA 0.138 4.481 4.340 0.004 0.000 0.227 1035 L C 1.415 178.317 176.870 0.054 0.000 1.127 1035 L CA 0.026 54.916 54.840 0.082 0.000 0.884 1035 L CB -0.480 41.603 42.059 0.039 0.000 1.065 1035 L HN 0.391 nan 8.230 nan 0.000 0.457 1036 K N 1.469 121.904 120.400 0.059 0.000 2.412 1036 K HA 0.042 4.365 4.320 0.004 0.000 0.281 1036 K C 0.436 177.037 176.600 0.001 0.000 1.027 1036 K CA -0.014 56.288 56.287 0.025 0.000 0.989 1036 K CB 0.751 33.269 32.500 0.030 0.000 0.935 1036 K HN -0.060 nan 8.250 nan 0.000 0.475 1037 S N 4.455 120.113 115.700 -0.069 0.000 2.565 1037 S HA 0.215 4.688 4.470 0.004 0.000 0.276 1037 S C -1.369 173.094 174.600 -0.229 0.000 1.326 1037 S CA -1.405 56.686 58.200 -0.181 0.000 1.045 1037 S CB 0.792 63.896 63.200 -0.159 0.000 0.918 1037 S HN 0.630 nan 8.310 nan 0.000 0.505 1038 P HA 0.227 nan 4.420 nan 0.000 0.245 1038 P C 0.744 177.935 177.300 -0.182 0.000 1.212 1038 P CA 0.589 63.488 63.100 -0.335 0.000 0.774 1038 P CB -0.703 30.622 31.700 -0.626 0.000 0.999 1039 G N 0.290 108.978 108.800 -0.187 0.000 2.756 1039 G HA2 -0.142 3.820 3.960 0.004 0.000 0.678 1039 G HA3 -0.142 3.820 3.960 0.004 0.000 0.678 1039 G C 0.116 175.004 174.900 -0.020 0.000 1.349 1039 G CA -0.345 44.704 45.100 -0.085 0.000 0.847 1039 G HN 0.238 nan 8.290 nan 0.000 0.548 1040 V N -3.054 116.852 119.914 -0.013 0.000 3.121 1040 V HA 0.544 4.666 4.120 0.004 0.000 0.344 1040 V C 0.674 176.760 176.094 -0.013 0.000 1.390 1040 V CA -0.091 62.209 62.300 0.000 0.000 1.177 1040 V CB 0.354 32.151 31.823 -0.043 0.000 1.163 1040 V HN 0.614 nan 8.190 nan 0.000 0.484 1041 R N 3.454 123.951 120.500 -0.006 0.000 2.229 1041 R HA 0.508 4.850 4.340 0.004 0.000 0.328 1041 R C -2.560 173.721 176.300 -0.031 0.000 1.009 1041 R CA -2.070 54.019 56.100 -0.020 0.000 0.864 1041 R CB 1.104 31.396 30.300 -0.013 0.000 1.085 1041 R HN 0.358 nan 8.270 nan 0.000 0.453 1042 P HA 0.093 nan 4.420 nan 0.000 0.269 1042 P C -0.527 176.740 177.300 -0.056 0.000 1.209 1042 P CA -0.153 62.895 63.100 -0.087 0.000 0.776 1042 P CB 0.836 32.481 31.700 -0.092 0.000 0.876 1043 S N 1.525 117.188 115.700 -0.061 0.000 2.608 1043 S HA 0.324 4.796 4.470 0.004 0.000 0.291 1043 S C 0.191 174.774 174.600 -0.028 0.000 1.146 1043 S CA -0.675 57.508 58.200 -0.029 0.000 1.043 1043 S CB 0.432 63.626 63.200 -0.011 0.000 1.037 1043 S HN 0.405 nan 8.310 nan 0.000 0.520 1044 N N 3.651 122.343 118.700 -0.014 0.000 2.904 1044 N HA 0.386 5.128 4.740 0.004 0.000 0.257 1044 N C -2.597 172.912 175.510 -0.001 0.000 1.363 1044 N CA -0.630 52.413 53.050 -0.011 0.000 0.856 1044 N CB 1.140 39.620 38.487 -0.012 0.000 1.166 1044 N HN 0.517 nan 8.380 nan 0.000 0.499 1045 P HA 0.645 nan 4.420 nan 0.000 0.334 1045 P C -1.027 176.283 177.300 0.018 0.000 1.410 1045 P CA -0.561 62.547 63.100 0.013 0.000 1.298 1045 P CB 2.749 34.461 31.700 0.019 0.000 2.080 1046 R N 0.000 120.513 120.500 0.021 0.000 2.786 1046 R HA 0.000 4.342 4.340 0.004 0.000 0.208 1046 R CA 0.000 56.116 56.100 0.027 0.000 0.921 1046 R CB 0.000 30.313 30.300 0.022 0.000 0.687 1046 R HN 0.000 nan 8.270 nan 0.000 0.535